A0A3Q0KRY0_SCHMA Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KRY0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 699 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
1M59.7Low69.9Low194 Ų194106.4 Ų106.496%0.95658%0.582SS**  0-53.10-139.6-166.6-71.600112.2Y3 V4 I5M1-Y3 PolarHBondContact O-N 3.15Å; M1-V4 PolarHBondContact O-N 3.14Å; M1-V4 VanDerWaalsContact O-N 3.14Å; M1-I5 WeakPolarHBondContact O-CG1 3.5Å; M1-I5 PolarHBondContact O-N 3.35Å; M1-I5 VanDerWaalsContact O-N 3.15Å
2L55.1Low70.7Confident121 Ų121107.1 Ų107.163%0.63458%0.583SS**Hα-helixtrans-55-45179.4-170.168.9000114.2V4 I5 I6L2-V4 VanDerWaalsContact C-N 3.33Å; L2-V4 PolarHBondContact O-N 3.46Å; L2-I5 PolarHBondContact O-N 3.22Å; L2-I6 HydrophobicContact CG-CD1 3.99Å; L2-I6 WeakPolarHBondContact O-CG1 3.35Å; L2-I6 PolarHBondContact O-N 3.38Å
3Y59.7Low71.1Confident201 Ų201103.3 Ų103.379%0.78856%0.561SS**Hα-helixtrans-60.8-37.9177.2-74.1-76.4000113.8M1 I6 A7M1-Y3 PolarHBondContact O-N 3.15Å; Y3-I6 PolarHBondContact O-N 2.95Å; Y3-A7 WeakPolarHBondContact O-CB 3.36Å; Y3-A7 PolarHBondContact O-N 2.93Å
4V71.4Confident71.4Confident105 Ų10598.8 Ų98.864%0.63655%0.55SS**Hα-helixtrans-68.2-39.81781790000110.3M1 L2 A7 A8M1-V4 PolarHBondContact O-N 3.14Å; M1-V4 VanDerWaalsContact O-N 3.14Å; L2-V4 VanDerWaalsContact C-N 3.33Å; L2-V4 PolarHBondContact O-N 3.46Å; V4-A7 PolarHBondContact O-N 3.47Å; V4-A8 WeakPolarHBondContact O-CB 3.36Å; V4-A8 PolarHBondContact O-N 2.92Å
5I71.9Confident71.8Confident93 Ų93100.5 Ų100.548%0.47755%0.55SS.*Hα-helixtrans-64.6-46.8175.9-64.2169.3000110.5M1 L2 A7 A8 V9M1-I5 WeakPolarHBondContact O-CG1 3.5Å; M1-I5 PolarHBondContact O-N 3.35Å; M1-I5 VanDerWaalsContact O-N 3.15Å; L2-I5 PolarHBondContact O-N 3.22Å; I5-A7 PolarHBondContact O-N 2.94Å; I5-A8 PolarHBondContact O-N 3.46Å; I5-V9 HydrophobicContact CG2-CG2 4.35Å; I5-V9 WeakPolarHBondContact O-CB 3.28Å; I5-V9 VanDerWaalsContact O-CG2 3.28Å; I5-V9 WeakPolarHBondContact O-CG2 3.28Å; I5-V9 PolarHBondContact O-N 3.25Å
6I73Confident72.3Confident89 Ų8999.8 Ų99.846%0.45654%0.538SS..Hα-helixtrans-60.5-45.5177.7-67.5168.8000110.6L2 Y3 V9 T10L2-I6 HydrophobicContact CG-CD1 3.99Å; L2-I6 WeakPolarHBondContact O-CG1 3.35Å; L2-I6 PolarHBondContact O-N 3.38Å; Y3-I6 PolarHBondContact O-N 2.95Å; I6-V9 PolarHBondContact O-N 2.91Å; I6-T10 WeakPolarHBondContact O-CB 3.46Å; I6-T10 PolarHBondContact O-N 3.45Å; I6-T10 PolarHBondContact O-OG1 3.31Å
7A70.8Confident72.4Confident55 Ų5599.8 Ų99.846%0.45554%0.536SS..Hα-helixtrans-61.6-46.6177.800000111.9Y3 V4 I5 T10 V11Y3-A7 WeakPolarHBondContact O-CB 3.36Å; Y3-A7 PolarHBondContact O-N 2.93Å; V4-A7 PolarHBondContact O-N 3.47Å; I5-A7 PolarHBondContact O-N 2.94Å; A7-T10 PolarHBondContact O-N 2.92Å; A7-V11 WeakPolarHBondContact O-CG2 3.31Å; A7-V11 PolarHBondContact O-N 3.33Å
8A75.1Confident72.5Confident49 Ų49104.5 Ų104.541%0.40555%0.547SS..Hα-helixtrans-61.9-45.3178.200000112.2V4 I5 T10 V11 I12V4-A8 WeakPolarHBondContact O-CB 3.36Å; V4-A8 PolarHBondContact O-N 2.92Å; I5-A8 PolarHBondContact O-N 3.46Å; A8-T10 VanDerWaalsContact C-N 3.32Å; A8-T10 PolarHBondContact O-N 2.94Å; A8-V11 PolarHBondContact O-N 3.45Å; A8-I12 VanDerWaalsContact O-CG1 3.28Å; A8-I12 WeakPolarHBondContact O-CG1 3.36Å; A8-I12 PolarHBondContact O-N 3.45Å
9V76.2Confident72.9Confident72 Ų72105.9 Ų105.944%0.43655%0.548SS..Hα-helixtrans-61.5-42.4175.9171.30000110.7I5 I6 V11 I12 I13I5-V9 HydrophobicContact CG2-CG2 4.35Å; I5-V9 WeakPolarHBondContact O-CB 3.28Å; I5-V9 VanDerWaalsContact O-CG2 3.28Å; I5-V9 WeakPolarHBondContact O-CG2 3.28Å; I5-V9 PolarHBondContact O-N 3.25Å; I6-V9 PolarHBondContact O-N 2.91Å; V9-V11 PolarHBondContact O-N 2.65Å; V9-I12 PolarHBondContact O-N 3.49Å; V9-I13 HydrophobicContact CG1-CD1 3.57Å; V9-I13 HydrophobicContact CG1-CG1 4.22Å; V9-I13 WeakPolarHBondContact O-CB 3.31Å; V9-I13 WeakPolarHBondContact O-CG1 3.38Å; V9-I13 PolarHBondContact O-N 3.37Å
10T77.2Confident73.3Confident89 Ų89103.1 Ų103.155%0.54653%0.53SS..Hα-helixtrans-63.3-41.9178.4-50.40000111.5I6 A7 A8 G14I6-T10 WeakPolarHBondContact O-CB 3.46Å; I6-T10 PolarHBondContact O-N 3.45Å; I6-T10 PolarHBondContact O-OG1 3.31Å; A7-T10 PolarHBondContact O-N 2.92Å; A8-T10 VanDerWaalsContact C-N 3.32Å; A8-T10 PolarHBondContact O-N 2.94Å; T10-G14 PolarHBondContact O-N 3.36Å
11V79.2Confident73.6Confident102 Ų102107 Ų10762%0.61854%0.543SS*.Hα-helixtrans-65.2-43.5176.1171.70000111.3A7 A8 V9 G14 F15A7-V11 WeakPolarHBondContact O-CG2 3.31Å; A7-V11 PolarHBondContact O-N 3.33Å; A8-V11 PolarHBondContact O-N 3.45Å; V9-V11 PolarHBondContact O-N 2.65Å; V11-G14 PolarHBondContact O-N 2.81Å; V11-F15 VanDerWaalsContact O-CB 3.31Å; V11-F15 WeakPolarHBondContact O-CB 3.4Å; V11-F15 PolarHBondContact O-N 2.88Å
12I79.7Confident74.7Confident115 Ų11599.1 Ų99.159%0.5951%0.506SS*.Hα-helixtrans-64.2-45.7178.4-68.6166.4000110.7A8 V9 F15 Y16A8-I12 VanDerWaalsContact O-CG1 3.28Å; A8-I12 WeakPolarHBondContact O-CG1 3.36Å; A8-I12 PolarHBondContact O-N 3.45Å; V9-I12 PolarHBondContact O-N 3.49Å; I12-F15 PolarHBondContact O-N 3.32Å; I12-Y16 VanDerWaalsContact O-CB 3.31Å; I12-Y16 WeakPolarHBondContact O-CB 3.41Å; I12-Y16 PolarHBondContact O-N 3.21Å
13I75.1Confident76.1Confident58 Ų5898.3 Ų98.330%0.29751%0.508SS..Hα-helixtrans-62.8-44.8176.5-67173.1000110.1V9 F15 Y16 I17 I385V9-I13 HydrophobicContact CG1-CD1 3.57Å; V9-I13 HydrophobicContact CG1-CG1 4.22Å; V9-I13 WeakPolarHBondContact O-CB 3.31Å; V9-I13 WeakPolarHBondContact O-CG1 3.38Å; V9-I13 PolarHBondContact O-N 3.37Å; I13-F15 PolarHBondContact O-N 3.29Å; I13-Y16 PolarHBondContact O-N 3.44Å; I13-I17 HydrophobicContact CG2-CD1 3.69Å; I13-I17 HydrophobicContact CG2-CG1 4.33Å; I13-I17 WeakPolarHBondContact O-CB 3.22Å; I13-I17 VanDerWaalsContact O-CG1 3.25Å; I13-I17 WeakPolarHBondContact O-CG1 3.26Å; I13-I17 PolarHBondContact O-N 3.28Å; I13-I385 HydrophobicContact CB-CD1 4.4Å; I13-I385 HydrophobicContact CD1-CD1 3.66Å; I13-I385 HydrophobicContact CG1-CD1 3.67Å; I13-I385 HydrophobicContact CG2-CD1 3.89Å
14G75.9Confident77.5Confident40 Ų4095.9 Ų95.941%0.41250%0.502SS..Hα-helixtrans-60.3-44.6176.500000112.6T10 V11 I17 Y18T10-G14 PolarHBondContact O-N 3.36Å; V11-G14 PolarHBondContact O-N 2.81Å; G14-I17 PolarHBondContact O-N 2.84Å; G14-Y18 VanDerWaalsContact O-CB 3.28Å; G14-Y18 WeakPolarHBondContact O-CB 3.28Å; G14-Y18 PolarHBondContact O-N 2.85Å
15F77.3Confident78.4Confident125 Ų12593.4 Ų93.455%0.54849%0.487SS..Hα-helixtrans-65.3-41.3176.1-175.8-99.5000112.1V11 I12 I13 Y18 K19V11-F15 VanDerWaalsContact O-CB 3.31Å; V11-F15 WeakPolarHBondContact O-CB 3.4Å; V11-F15 PolarHBondContact O-N 2.88Å; I12-F15 PolarHBondContact O-N 3.32Å; I13-F15 PolarHBondContact O-N 3.29Å; F15-Y18 PolarHBondContact O-N 3.41Å; F15-K19 HydrophobicContact CD1-CG 4.07Å; F15-K19 HydrophobicContact CD2-CG 4.48Å; F15-K19 HydrophobicContact CE1-CD 4.48Å; F15-K19 HydrophobicContact CE1-CG 3.7Å; F15-K19 HydrophobicContact CE2-CG 4.15Å; F15-K19 HydrophobicContact CG-CG 4.46Å; F15-K19 HydrophobicContact CZ-CD 4.17Å; F15-K19 HydrophobicContact CZ-CG 3.77Å; F15-K19 WeakPolarHBondContact O-CB 3.25Å; F15-K19 WeakPolarHBondContact O-CG 3.45Å; F15-K19 PolarHBondContact O-N 2.87Å
16Y78.9Confident79.1Confident88 Ų8894.6 Ų94.635%0.34550%0.499SS..Hα-helixtrans-61.1-48.9175175.5-93.3000111.3I12 I13 Y18 K19 R20 S383I12-Y16 VanDerWaalsContact O-CB 3.31Å; I12-Y16 WeakPolarHBondContact O-CB 3.41Å; I12-Y16 PolarHBondContact O-N 3.21Å; I13-Y16 PolarHBondContact O-N 3.44Å; Y16-Y18 VanDerWaalsContact C-N 3.31Å; Y16-Y18 PolarHBondContact O-N 3.13Å; Y16-K19 PolarHBondContact O-N 3.41Å; Y16-R20 VanDerWaalsContact O-CB 3.26Å; Y16-R20 WeakPolarHBondContact O-CB 3.33Å; Y16-R20 PolarHBondContact O-N 3.17Å; Y16-S383 PolarHBondContact OH-O 3.03Å
17I74.6Confident80Confident100 Ų10091.1 Ų91.151%0.51348%0.48SS..Hα-helixtrans-60.1-42.4176.4-68.7169.4000110.6I13 G14 R20I13-I17 HydrophobicContact CG2-CD1 3.69Å; I13-I17 HydrophobicContact CG2-CG1 4.33Å; I13-I17 WeakPolarHBondContact O-CB 3.22Å; I13-I17 VanDerWaalsContact O-CG1 3.25Å; I13-I17 WeakPolarHBondContact O-CG1 3.26Å; I13-I17 PolarHBondContact O-N 3.28Å; G14-I17 PolarHBondContact O-N 2.84Å; I17-R20 PolarHBondContact O-N 2.84Å
18Y74.6Confident80.9Confident185 Ų18593.3 Ų93.373%0.72549%0.49SS*.Hα-helixtrans-65.9-39.6178.2177.7-100.2000113.1G14 F15 Y16G14-Y18 VanDerWaalsContact O-CB 3.28Å; G14-Y18 WeakPolarHBondContact O-CB 3.28Å; G14-Y18 PolarHBondContact O-N 2.85Å; F15-Y18 PolarHBondContact O-N 3.41Å; Y16-Y18 VanDerWaalsContact C-N 3.31Å; Y16-Y18 PolarHBondContact O-N 3.13Å
19K79.8Confident81.6Confident132 Ų13291.2 Ų91.257%0.57447%0.472SS*.Hα-helixtrans-76.9-25.6178.6-77.7-74.9-173.31750112.9F15 Y16 K21F15-K19 HydrophobicContact CD1-CG 4.07Å; F15-K19 HydrophobicContact CD2-CG 4.48Å; F15-K19 HydrophobicContact CE1-CD 4.48Å; F15-K19 HydrophobicContact CE1-CG 3.7Å; F15-K19 HydrophobicContact CE2-CG 4.15Å; F15-K19 HydrophobicContact CG-CG 4.46Å; F15-K19 HydrophobicContact CZ-CD 4.17Å; F15-K19 HydrophobicContact CZ-CG 3.77Å; F15-K19 WeakPolarHBondContact O-CB 3.25Å; F15-K19 WeakPolarHBondContact O-CG 3.45Å; F15-K19 PolarHBondContact O-N 2.87Å; Y16-K19 PolarHBondContact O-N 3.41Å; K19-K21 PolarHBondContact O-N 3.3Å; K19-K21 VanDerWaalsContact O-N 3.1Å
20R80.8Confident82.3Confident48 Ų4889.5 Ų89.518%0.18146%0.46CS..  trans-66.7108.1-180176.3160.5170.1-97.5-3.5110Y16 I17 P22 E374 D381Y16-R20 VanDerWaalsContact O-CB 3.26Å; Y16-R20 WeakPolarHBondContact O-CB 3.33Å; Y16-R20 PolarHBondContact O-N 3.17Å; I17-R20 PolarHBondContact O-N 2.84Å; R20-P22 HydrophobicContact CG-CG 4.45Å; R20-P22 WeakPolarHBondContact O-CD 3.33Å; R20-E374 IonicContact CZ-OE1 3.64Å; R20-E374 VanDerWaalsContact CZ-OE1 3.31Å; R20-E374 IonicContact CZ-OE2 3.75Å; R20-E374 IonicContact NH1-OE1 3.98Å; R20-E374 PolarHBondContact NH1-OE1 3.46Å; R20-E374 IonicContact NH1-OE2 3.75Å; R20-E374 VanDerWaalsContact NH2-CD 3.32Å; R20-E374 IonicContact NH2-OE1 3.49Å; R20-E374 PolarHBondContact NH2-OE1 2.69Å; R20-E374 IonicContact NH2-OE2 3.76Å; R20-E374 PolarHBondContact NH2-OE2 2.89Å; R20-D381 IonicContact CZ-OD2 3.96Å; R20-D381 IonicContact NE-OD2 3.42Å; R20-D381 PolarHBondContact NE-OD2 2.94Å; R20-D381 IonicContact NH2-OD2 2.84Å; R20-D381 PolarHBondContact NH2-OD2 2.81Å
21K79.9Confident82.9Confident185 Ų18589.5 Ų89.580%0.80446%0.463SS*.  trans-120.972.8174.9-68.7-173.6179.3-176.20109.9K19K19-K21 PolarHBondContact O-N 3.3Å; K19-K21 VanDerWaalsContact O-N 3.1Å
22P83Confident83.5Confident29 Ų2987.4 Ų87.419%0.18845%0.445CS..PPolyproline II helixtrans-65.3141.1-179.829.1-33.8000109.3R20 I379 D381R20-P22 HydrophobicContact CG-CG 4.45Å; R20-P22 WeakPolarHBondContact O-CD 3.33Å; P22-I379 HydrophobicContact CB-CG2 3.73Å; P22-I379 HydrophobicContact CG-CD1 4.28Å; P22-I379 HydrophobicContact CG-CG2 3.4Å; P22-I379 VanDerWaalsContact CG-CG2 3.4Å; P22-D381 HydrophobicContact CB-CB 3.55Å; P22-D381 HydrophobicContact CG-CB 4.36Å
23P84Confident84.1Confident104 Ų10483.9 Ų83.968%0.67543%0.428SS*.PPolyproline II helixtrans-63.5143.5179.327.3-33.7000110.1
24K89.1Confident85Confident150 Ų15085.8 Ų85.865%0.65245%0.446SS*.PPolyproline II helixtrans-79.3136.7167.8-67.1-175.4178.3-178.80108.7I379K24-I379 HydrophobicContact CG-CG1 4.03Å
25V89.9Confident85.8Confident53 Ų5389.2 Ų89.232%0.32145%0.451SS..PPolyproline II helixtrans-86.9143.8171-174.20000108.1F27 N378 Y380V25-F27 HydrophobicContact CB-CZ 4.33Å; V25-F27 HydrophobicContact CG1-CD1 4.1Å; V25-F27 HydrophobicContact CG1-CE1 3.56Å; V25-F27 HydrophobicContact CG1-CE2 4.2Å; V25-F27 HydrophobicContact CG1-CZ 3.62Å; V25-N378 PolarHBondContact N-O 3.34Å; V25-N378 WeakPolarHBondContact O-CB 3.28Å; V25-N378 PolarHBondContact O-ND2 2.88Å; V25-Y380 HydrophobicContact CB-CD2 4.06Å; V25-Y380 HydrophobicContact CG2-CD2 3.9Å
26T88.1Confident86.6Confident119 Ų11983.3 Ų83.373%0.7343%0.426SS*.  trans-118.6124.7171.5-51.70000107.5
27F90.3Very high87.2Confident15 Ų1579.1 Ų79.17%0.06641%0.409CS..  trans-100.3119.7175.9-66.2-56.5000107.9V25 L29 D30 E279 Y380 P427 F446V25-F27 HydrophobicContact CB-CZ 4.33Å; V25-F27 HydrophobicContact CG1-CD1 4.1Å; V25-F27 HydrophobicContact CG1-CE1 3.56Å; V25-F27 HydrophobicContact CG1-CE2 4.2Å; V25-F27 HydrophobicContact CG1-CZ 3.62Å; F27-L29 PolarHBondContact O-N 2.83Å; F27-L29 VanDerWaalsContact O-N 3.11Å; F27-D30 WeakPolarHBondContact CB-OD1 3.47Å; F27-D30 VanDerWaalsContact O-CB 3.29Å; F27-D30 WeakPolarHBondContact O-CB 3.36Å; F27-D30 PolarHBondContact O-N 3.44Å; F27-E279 WeakPolarHBondContact CA-OE2 3.41Å; F27-E279 VanDerWaalsContact CB-OE2 3.23Å; F27-E279 WeakPolarHBondContact CB-OE2 3.45Å; F27-E279 HydrophobicContact CD1-CB 3.99Å; F27-Y380 HydrophobicContact CE2-CD2 4.26Å; F27-Y380 AromaticContact CE2-CE2 3.42Å; F27-Y380 HydrophobicContact CE2-CE2 3.42Å; F27-Y380 VanDerWaalsContact CE2-CE2 3.42Å; F27-Y380 AromaticContact CE2-CZ 3.77Å; F27-Y380 HydrophobicContact CZ-CD2 4.2Å; F27-Y380 AromaticContact CZ-CE2 3.74Å; F27-Y380 HydrophobicContact CZ-CE2 3.74Å; F27-P427 HydrophobicContact CE1-CG 4.42Å; F27-P427 HydrophobicContact CE2-CG 4.49Å; F27-P427 HydrophobicContact CZ-CG 3.77Å; F27-F446 HydrophobicContact CB-CB 4.46Å; F27-F446 HydrophobicContact CD1-CB 3.71Å; F27-F446 HydrophobicContact CD1-CD1 4.15Å; F27-F446 HydrophobicContact CD1-CG 4.33Å; F27-F446 HydrophobicContact CD2-CB 3.93Å; F27-F446 HydrophobicContact CE1-CB 3.83Å; F27-F446 AromaticContact CE1-CD1 3.73Å; F27-F446 HydrophobicContact CE1-CD1 3.73Å; F27-F446 HydrophobicContact CE1-CG 4.26Å; F27-F446 HydrophobicContact CE2-CB 4.01Å; F27-F446 HydrophobicContact CG-CB 3.78Å; F27-F446 HydrophobicContact CZ-CB 3.98Å; F27-F446 HydrophobicContact CZ-CD1 4.23Å
28P89.4Confident88Confident101 Ų10175.4 Ų75.466%0.65639%0.393SS*.G310 helixtrans-51-31.9-179.6-30.436.1000114.7D30 C31 E279P28-D30 VanDerWaalsContact C-N 3.32Å; P28-C31 PolarHBondContact O-SG 2.87Å; P28-C31 VanDerWaalsContact O-SG 3.38Å; P28-E279 WeakPolarHBondContact CD-OE2 3.49Å
29L90.9Very high88.7Confident6 Ų669.2 Ų69.23%0.03138%0.38CS..G310 helixtrans-84.6-1.5-178.8-57.5179.7000113.7F27 C31 F32 T51 T53 E279 L445F27-L29 PolarHBondContact O-N 2.83Å; F27-L29 VanDerWaalsContact O-N 3.11Å; L29-C31 PolarHBondContact O-N 3.32Å; L29-C31 VanDerWaalsContact O-N 3.1Å; L29-F32 HydrophobicContact CB-CD2 4.4Å; L29-F32 HydrophobicContact CD2-CD2 4.01Å; L29-F32 HydrophobicContact CD2-CE2 4.02Å; L29-F32 PolarHBondContact O-N 2.95Å; L29-T51 HydrophobicContact CD2-CG2 3.96Å; L29-T53 HydrophobicContact CD2-CG2 3.74Å; L29-E279 WeakPolarHBondContact CB-OE2 3.33Å; L29-E279 HydrophobicContact CD1-CG 4Å; L29-E279 HydrophobicContact CG-CG 4.17Å; L29-E279 PolarHBondContact N-OE2 3.34Å; L29-L445 HydrophobicContact CB-CD1 4.42Å; L29-L445 HydrophobicContact CB-CD2 3.68Å; L29-L445 HydrophobicContact CD1-CD2 3.63Å; L29-L445 HydrophobicContact CG-CD2 4.29Å
30D90.4Very high89.1Confident35 Ų3567.4 Ų67.419%0.18738%0.376CS..G310 helixtrans-59.1-24.3177.3-82.2-2.4000112.4F27 P28 F32 L33 N378 G447F27-D30 WeakPolarHBondContact CB-OD1 3.47Å; F27-D30 VanDerWaalsContact O-CB 3.29Å; F27-D30 WeakPolarHBondContact O-CB 3.36Å; F27-D30 PolarHBondContact O-N 3.44Å; P28-D30 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 3.5Å; D30-L33 HydrophobicContact CB-CD1 4.01Å; D30-L33 WeakPolarHBondContact O-CB 3.47Å; D30-L33 WeakPolarHBondContact O-CG 3.44Å; D30-L33 PolarHBondContact O-N 3.44Å; D30-N378 PolarHBondContact OD2-ND2 3.06Å; D30-G447 VanDerWaalsContact OD1-CA 3.25Å; D30-G447 WeakPolarHBondContact OD1-CA 3.43Å
31C90.4Very high89.1Confident89 Ų8967.5 Ų67.560%0.60138%0.38SS*.G310 helixtrans-64.1-17.5175.361.50000113.7P28 L29P28-C31 PolarHBondContact O-SG 2.87Å; P28-C31 VanDerWaalsContact O-SG 3.38Å; L29-C31 PolarHBondContact O-N 3.32Å; L29-C31 VanDerWaalsContact O-N 3.1Å
32F92.1Very high88.5Confident58 Ų5870.3 Ų70.325%0.25439%0.387SS..G310 helixtrans-97.92.9178.2-60.1-70.2000113.4L29 D30 S34 E35 Q36 V50 T51 L445L29-F32 HydrophobicContact CB-CD2 4.4Å; L29-F32 HydrophobicContact CD2-CD2 4.01Å; L29-F32 HydrophobicContact CD2-CE2 4.02Å; L29-F32 PolarHBondContact O-N 2.95Å; D30-F32 PolarHBondContact O-N 3.5Å; F32-S34 PolarHBondContact O-N 3Å; F32-E35 CarbonylContact O-C 3.49Å; F32-E35 PolarHBondContact O-N 2.96Å; F32-Q36 WeakPolarHBondContact O-CG 3.47Å; F32-Q36 PolarHBondContact O-N 3.49Å; F32-V50 HydrophobicContact CB-CG2 4.04Å; F32-V50 HydrophobicContact CD1-CB 4Å; F32-V50 HydrophobicContact CD1-CG2 3.61Å; F32-V50 HydrophobicContact CE1-CB 4.31Å; F32-V50 HydrophobicContact CE1-CG2 4.32Å; F32-V50 HydrophobicContact CG-CG2 3.98Å; F32-T51 HydrophobicContact CD2-CG2 3.79Å; F32-T51 HydrophobicContact CE2-CG2 4.11Å; F32-T51 HydrophobicContact CG-CG2 4.18Å; F32-L445 HydrophobicContact CB-CD1 4.2Å
33L92.4Very high87.6Confident42 Ų4275.8 Ų75.822%0.2241%0.41CS..THydrogen-bonded Turntrans-61.6-29.5-176.5-74171.3000113.7D30 Q36 L445 D448D30-L33 HydrophobicContact CB-CD1 4.01Å; D30-L33 WeakPolarHBondContact O-CB 3.47Å; D30-L33 WeakPolarHBondContact O-CG 3.44Å; D30-L33 PolarHBondContact O-N 3.44Å; L33-Q36 PolarHBondContact O-NE2 2.98Å; L33-L445 HydrophobicContact CD2-CB 4.09Å; L33-L445 HydrophobicContact CD2-CD1 4.06Å; L33-D448 HydrophobicContact CD2-CB 3.67Å
34S92.5Very high86.7Confident97 Ų9772 Ų7268%0.67839%0.391SS*.THydrogen-bonded Turntrans-84.1-16.6176.853.80000114F32F32-S34 PolarHBondContact O-N 3Å
35E93.2Very high86.3Confident112 Ų11268 Ų6852%0.52338%0.376SS..  trans-147.288180-169.7-179.3179.500109F32 V50 E522F32-E35 CarbonylContact O-C 3.49Å; F32-E35 PolarHBondContact O-N 2.96Å; E35-V50 HydrophobicContact CG-CG1 4.23Å; E35-V50 WeakPolarHBondContact O-CG2 3.33Å; E35-E522 CarbonylContact C-O 3.52Å; E35-E522 WeakPolarHBondContact CA-O 3.29Å
36Q93.7Very high86.4Confident2 Ų266.2 Ų66.21%0.00937%0.365CS..  trans-91-5.4-172.1-68.7-163.53900113.9F32 L33 L445 D448 A456 E522 S524F32-Q36 WeakPolarHBondContact O-CG 3.47Å; F32-Q36 PolarHBondContact O-N 3.49Å; L33-Q36 PolarHBondContact O-NE2 2.98Å; Q36-L445 HydrophobicContact CG-CD1 4.31Å; Q36-D448 PolarHBondContact NE2-OD2 3.31Å; Q36-D448 PolarHBondContact OE1-OD2 3.01Å; Q36-A456 HydrophobicContact CB-CB 3.89Å; Q36-A456 WeakPolarHBondContact O-CB 3.13Å; Q36-E522 PolarHBondContact N-O 3.21Å; Q36-S524 PolarHBondContact NE2-OG 3.41Å; Q36-S524 PolarHBondContact OE1-OG 3.44Å
37S93.2Very high86.7Confident0 Ų062.7 Ų62.70%034%0.338CS..  trans-158.6152.417061.20000111.1R47 T48 G523S37-R47 PolarHBondContact O-NH2 2.7Å; S37-R47 PolarHBondContact OG-NE 3.48Å; S37-R47 PolarHBondContact OG-NH2 2.74Å; S37-R47 VanDerWaalsContact OG-NH2 3.15Å; S37-T48 CarbonylContact C-O 3.53Å; S37-T48 WeakPolarHBondContact CA-O 3.39Å; S37-T48 WeakPolarHBondContact CB-O 3.44Å; S37-G523 WeakPolarHBondContact CB-O 3.23Å; S37-G523 WeakPolarHBondContact OG-CA 3.12Å; S37-G523 PolarHBondContact OG-O 3.37Å
38A91Very high86.9Confident22 Ų2262.9 Ų62.918%0.18234%0.341CS..EExtended strand (participates in β ladder)trans-108.1140.2-18000000110.3R47 T48 V50A38-R47 CarbonylContact O-C 3.46Å; A38-R47 WeakPolarHBondContact O-CA 3.16Å; A38-T48 PolarHBondContact N-O 2.69Å; A38-T48 PolarHBondContact O-N 3.22Å; A38-V50 HydrophobicContact CB-CG1 3.8Å
39A89.6Confident87Confident54 Ų5458.2 Ų58.245%0.44631%0.311SS..EExtended strand (participates in β ladder)trans-71.2136.3169.100000110.5T46A39-T46 WeakPolarHBondContact CA-O 3.35Å
40I87Confident86.8Confident95 Ų9558.5 Ų58.549%0.48731%0.313SS..  trans-108.8-10178.863.6173000113.7T46 T48I40-T46 HydrophobicContact CD1-CG2 3.5Å; I40-T46 VanDerWaalsContact CD1-CG2 3.5Å; I40-T46 HydrophobicContact CG1-CG2 3.58Å; I40-T46 PolarHBondContact N-O 3.1Å; I40-T48 HydrophobicContact CG2-CG2 3.42Å; I40-T48 VanDerWaalsContact CG2-CG2 3.42Å
41N80.9Confident86Confident50 Ų5057 Ų5727%0.26731%0.305SS..SBendtrans-122.3157.2175.268.1-18.5000110.8E43 G44 N45 T46N41-E43 PolarHBondContact O-N 3.4Å; N41-G44 PolarHBondContact O-N 3.38Å; N41-G44 PolarHBondContact OD1-N 3.36Å; N41-N45 PolarHBondContact OD1-N 2.94Å; N41-T46 PolarHBondContact ND2-OG1 3.03Å; N41-T46 PolarHBondContact OD1-N 3.12Å
42Y66.8Low84.8Confident243 Ų24361.3 Ų61.395%0.95331%0.31SS*.THydrogen-bonded Turntrans-58.7-35.2-177.8-170.3-93.7000112.7G44Y42-G44 PolarHBondContact O-N 3.27Å
43E65.6Low83.4Confident145 Ų14560.6 Ų60.668%0.67831%0.31SS*.THydrogen-bonded Turntrans-70.7-11.3177.5-62.8171.9177.500113.6N41 N45N41-E43 PolarHBondContact O-N 3.4Å; E43-N45 PolarHBondContact O-N 3.17Å; E43-N45 VanDerWaalsContact O-N 3.07Å
44G65Low82.6Confident25 Ų2565 Ų6526%0.25834%0.339SS..SBendtrans72.3-4.6178.300000115.8N41 Y42N41-G44 PolarHBondContact O-N 3.38Å; N41-G44 PolarHBondContact OD1-N 3.36Å; Y42-G44 PolarHBondContact O-N 3.27Å
45N80Confident82Confident64 Ų6462.4 Ų62.434%0.34232%0.319SS..  trans-74.3-27.4-175.6-72.9-24.4000113.3N41 E43 K464N41-N45 PolarHBondContact OD1-N 2.94Å; E43-N45 PolarHBondContact O-N 3.17Å; E43-N45 VanDerWaalsContact O-N 3.07Å; N45-K464 WeakPolarHBondContact O-CA 3.17Å
46T91.8Very high81.6Confident16 Ų1659.2 Ų59.210%0.09831%0.308CS..EExtended strand (participates in β ladder)trans-99.7127.8177.3-48.10000109.3A39 I40 N41 A463 K464 W510A39-T46 WeakPolarHBondContact CA-O 3.35Å; I40-T46 HydrophobicContact CD1-CG2 3.5Å; I40-T46 VanDerWaalsContact CD1-CG2 3.5Å; I40-T46 HydrophobicContact CG1-CG2 3.58Å; I40-T46 PolarHBondContact N-O 3.1Å; N41-T46 PolarHBondContact ND2-OG1 3.03Å; N41-T46 PolarHBondContact OD1-N 3.12Å; T46-A463 CarbonylContact C-O 3.05Å; T46-A463 WeakPolarHBondContact CA-O 3.4Å; T46-K464 HydrophobicContact CG2-CB 4.25Å; T46-W510 HydrophobicContact CG2-CH2 3.45Å; T46-W510 VanDerWaalsContact CG2-CH2 3.45Å; T46-W510 HydrophobicContact CG2-CZ2 3.93Å; T46-W510 HydrophobicContact CG2-CZ3 4.47Å
47R94.4Very high81.3Confident45 Ų4566.5 Ų66.517%0.1735%0.347CS..EExtended strand (participates in β ladder)trans-128.6154-174.1-54-177.174.695.1-2.7111.4S37 A38 L457 S462 A463 W519S37-R47 PolarHBondContact O-NH2 2.7Å; S37-R47 PolarHBondContact OG-NE 3.48Å; S37-R47 PolarHBondContact OG-NH2 2.74Å; S37-R47 VanDerWaalsContact OG-NH2 3.15Å; A38-R47 CarbonylContact O-C 3.46Å; A38-R47 WeakPolarHBondContact O-CA 3.16Å; R47-L457 HydrophobicContact CB-CD1 4.31Å; R47-L457 WeakPolarHBondContact O-CD1 3.42Å; R47-S462 CarbonylContact O-C 3.55Å; R47-S462 VanDerWaalsContact O-CA 3.29Å; R47-S462 WeakPolarHBondContact O-CA 3.43Å; R47-A463 PolarHBondContact N-O 2.78Å; R47-A463 PolarHBondContact O-N 3.08Å; R47-W519 HydrophobicContact CB-CH2 4.18Å; R47-W519 HydrophobicContact CB-CZ2 4.04Å; R47-W519 HydrophobicContact CG-CZ2 4.08Å
48T94Very high81Confident20 Ų2068.6 Ų68.612%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-135.5172.8173.7-164.90000110.7S37 A38 I40 I461S37-T48 CarbonylContact C-O 3.53Å; S37-T48 WeakPolarHBondContact CA-O 3.39Å; S37-T48 WeakPolarHBondContact CB-O 3.44Å; A38-T48 PolarHBondContact N-O 2.69Å; A38-T48 PolarHBondContact O-N 3.22Å; I40-T48 HydrophobicContact CG2-CG2 3.42Å; I40-T48 VanDerWaalsContact CG2-CG2 3.42Å; T48-I461 PolarHBondContact OG1-O 3.15Å
49S91.8Very high81Confident2 Ų267.5 Ų67.51%0.01435%0.351CS..  trans-64.2133.7176-153.20000111.6T51 R277 L457S49-T51 VanDerWaalsContact C-N 3.32Å; S49-T51 PolarHBondContact OG-OG1 3.14Å; S49-R277 PolarHBondContact OG-NH2 3.13Å; S49-L457 VanDerWaalsContact CB-O 3.31Å; S49-L457 WeakPolarHBondContact CB-O 3.4Å; S49-L457 PolarHBondContact OG-O 2.95Å
50V86.9Confident80.8Confident13 Ų1366.9 Ų66.98%0.07935%0.345CS..SBendtrans-79.6-16.5167.9-72.60000113F32 E35 A38 Y52F32-V50 HydrophobicContact CB-CG2 4.04Å; F32-V50 HydrophobicContact CD1-CB 4Å; F32-V50 HydrophobicContact CD1-CG2 3.61Å; F32-V50 HydrophobicContact CE1-CB 4.31Å; F32-V50 HydrophobicContact CE1-CG2 4.32Å; F32-V50 HydrophobicContact CG-CG2 3.98Å; E35-V50 HydrophobicContact CG-CG1 4.23Å; E35-V50 WeakPolarHBondContact O-CG2 3.33Å; A38-V50 HydrophobicContact CB-CG1 3.8Å; V50-Y52 WeakPolarHBondContact O-CD2 3.5Å; V50-Y52 PolarHBondContact O-N 2.8Å
51T73.7Confident80.9Confident2 Ų269.3 Ų69.31%0.01236%0.359CS..  trans-81.594.4-176.457.80000108.2L29 F32 S49 T53 R277L29-T51 HydrophobicContact CD2-CG2 3.96Å; F32-T51 HydrophobicContact CD2-CG2 3.79Å; F32-T51 HydrophobicContact CE2-CG2 4.11Å; F32-T51 HydrophobicContact CG-CG2 4.18Å; S49-T51 VanDerWaalsContact C-N 3.32Å; S49-T51 PolarHBondContact OG-OG1 3.14Å; T51-T53 PolarHBondContact O-N 3.31Å; T51-R277 VanDerWaalsContact CG2-NH2 3.27Å; T51-R277 PolarHBondContact OG1-NE 2.76Å; T51-R277 PolarHBondContact OG1-NH2 3.38Å
52Y64.9Low81.5Confident180 Ų18067.6 Ų67.671%0.70635%0.35SS*.  trans-91.941.9170.6-56.3-78.1000110.9V50V50-Y52 WeakPolarHBondContact O-CD2 3.5Å; V50-Y52 PolarHBondContact O-N 2.8Å
53T63.3Low82.8Confident44 Ų4458.6 Ų58.627%0.2732%0.323SS..PPolyproline II helixtrans-64.2143.8177.444.10000109.8L29 T51 V55 Q276L29-T53 HydrophobicContact CD2-CG2 3.74Å; T51-T53 PolarHBondContact O-N 3.31Å; T53-V55 PolarHBondContact O-N 3.14Å; T53-Q276 PolarHBondContact O-NE2 2.67Å; T53-Q276 WeakPolarHBondContact OG1-CB 3.32Å; T53-Q276 PolarHBondContact OG1-O 3.22Å
54T75.4Confident84.3Confident133 Ų13352 Ų5282%0.81629%0.292SS*.PPolyproline II helixtrans-58136.1171.313.10000109.4P56T54-P56 WeakPolarHBondContact O-CD 3.46Å
55V81.1Confident85.8Confident44 Ų4450.8 Ų50.827%0.26728%0.28SS..PPolyproline II helixtrans-58.7124.2171.4179.20000107.4T53 C59 A60 Q272 Q276T53-V55 PolarHBondContact O-N 3.14Å; V55-C59 HydrophobicContact CG1-CB 4.34Å; V55-C59 WeakPolarHBondContact CG1-SG 3.16Å; V55-A60 HydrophobicContact CG1-CB 4.49Å; V55-Q272 HydrophobicContact CG1-CB 4.17Å; V55-Q272 HydrophobicContact CG1-CG 3.95Å; V55-Q276 HydrophobicContact CG2-CG 4.26Å
56P84.2Confident86.5Confident45 Ų4547.9 Ų47.929%0.29227%0.265SS..PPolyproline II helixtrans-56.2146.3179.5-28.836.7000112.5T54 V58 C59 A60 F275T54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-V58 HydrophobicContact CB-CG1 4.27Å; P56-V58 PolarHBondContact O-N 3.41Å; P56-C59 PolarHBondContact O-N 3.1Å; P56-C59 PolarHBondContact O-SG 3.45Å; P56-A60 PolarHBondContact O-N 2.65Å; P56-F275 HydrophobicContact CG-CB 4.16Å
57D86.3Confident86.6Confident154 Ų15450.2 Ų50.282%0.82428%0.275SS*.Hα-helixtrans-52.8-35.6-175-66.6-21.1000113.3C59 A60D57-C59 PolarHBondContact O-N 3.28Å; D57-C59 VanDerWaalsContact O-N 3.15Å; D57-A60 PolarHBondContact O-N 3.35Å
58V87.3Confident86.7Confident44 Ų4448.1 Ų48.127%0.26727%0.267SS..Hα-helixtrans-58.5-27.5178.671.70000113.1P56 F75 F275 L309P56-V58 HydrophobicContact CB-CG1 4.27Å; P56-V58 PolarHBondContact O-N 3.41Å; V58-F75 HydrophobicContact CG2-CE1 4.5Å; V58-F275 HydrophobicContact CG1-CD1 3.93Å; V58-F275 HydrophobicContact CG1-CE1 4.12Å; V58-L309 HydrophobicContact CG2-CD1 4.1Å; V58-L309 HydrophobicContact CG2-CG 4.08Å
59C90.2Very high86.8Confident0 Ų047.2 Ų47.20%026%0.261CS..Hα-helixtrans-119.51.7-179.557.20000115V55 P56 D57 N61 L62 Q272 L309V55-C59 HydrophobicContact CG1-CB 4.34Å; V55-C59 WeakPolarHBondContact CG1-SG 3.16Å; P56-C59 PolarHBondContact O-N 3.1Å; P56-C59 PolarHBondContact O-SG 3.45Å; D57-C59 PolarHBondContact O-N 3.28Å; D57-C59 VanDerWaalsContact O-N 3.15Å; C59-N61 PolarHBondContact O-N 3Å; C59-L62 HydrophobicContact CB-CD1 3.62Å; C59-L62 HydrophobicContact CB-CG 4.35Å; C59-L62 PolarHBondContact O-N 3.36Å; C59-Q272 HydrophobicContact CB-CG 4.15Å; C59-Q272 PolarHBondContact O-NE2 2.93Å; C59-L309 HydrophobicContact CB-CD2 4.06Å
60A85.5Confident87Confident40 Ų4050.7 Ų50.733%0.33128%0.279SS..Hα-helixtrans-61.5-41.1-174.600000113.6V55 P56 D57V55-A60 HydrophobicContact CG1-CB 4.49Å; P56-A60 PolarHBondContact O-N 2.65Å; D57-A60 PolarHBondContact O-N 3.35Å
61N89.4Confident87.4Confident146 Ų14651.4 Ų51.478%0.78129%0.285SS*.THydrogen-bonded Turntrans-100.918-173.8-63.4-34.9000114C59C59-N61 PolarHBondContact O-N 3Å
62L94.6Very high88.4Confident15 Ų1551.3 Ų51.38%0.07928%0.284CS..  trans-81.1135.7179-57.8177.6000111C59 E67 V68 V268 Q272 L309C59-L62 HydrophobicContact CB-CD1 3.62Å; C59-L62 HydrophobicContact CB-CG 4.35Å; C59-L62 PolarHBondContact O-N 3.36Å; L62-E67 HydrophobicContact CD2-CB 3.6Å; L62-V68 HydrophobicContact CD1-CG2 4.13Å; L62-V268 HydrophobicContact CB-CG1 3.73Å; L62-V268 HydrophobicContact CB-CG2 4.44Å; L62-V268 VanDerWaalsContact O-CG1 3.26Å; L62-V268 WeakPolarHBondContact O-CG1 3.45Å; L62-Q272 PolarHBondContact O-NE2 2.79Å; L62-L309 HydrophobicContact CD1-CD1 3.82Å; L62-L309 HydrophobicContact CD1-CD2 4.21Å
63S94.2Very high90Very high54 Ų5443.8 Ų43.838%0.37826%0.256SS..  trans-128.4-29.8176-55.40000111.7E67S63-E67 VanDerWaalsContact CA-OE2 3.31Å; S63-E67 WeakPolarHBondContact CA-OE2 3.48Å; S63-E67 WeakPolarHBondContact CB-OE2 3.11Å; S63-E67 PolarHBondContact N-OE2 2.54Å
64T96.1Very high91.5Very high5 Ų548.5 Ų48.53%0.03128%0.279CS..SBendtrans-135.1164.5-178.467.30000113C66 E67 P239T64-C66 PolarHBondContact O-N 3.28Å; T64-E67 PolarHBondContact N-OE2 2.82Å; T64-E67 PolarHBondContact O-N 3.02Å; T64-E67 PolarHBondContact OG1-OE2 3.41Å; T64-P239 HydrophobicContact CG2-CG 4.34Å; T64-P239 VanDerWaalsContact CG2-O 3.24Å; T64-P239 WeakPolarHBondContact CG2-O 3.49Å
65V96.4Very high92.3Very high0 Ų046.6 Ų46.60%026%0.26CS..Hα-helixtrans-68.2-24.9176.3177.30000111.6E67 V68 F69 T143 F245 H264 V267 L305V65-E67 VanDerWaalsContact C-N 3.29Å; V65-E67 PolarHBondContact O-N 3.39Å; V65-V68 WeakPolarHBondContact O-CB 3.27Å; V65-V68 PolarHBondContact O-N 2.9Å; V65-F69 PolarHBondContact O-N 3.12Å; V65-T143 HydrophobicContact CB-CG2 3.85Å; V65-T143 HydrophobicContact CG1-CG2 4.04Å; V65-F245 HydrophobicContact CB-CD2 4.24Å; V65-F245 HydrophobicContact CB-CE2 4.35Å; V65-F245 HydrophobicContact CG1-CD2 4.33Å; V65-F245 HydrophobicContact CG1-CE2 3.93Å; V65-F245 HydrophobicContact CG1-CZ 4.47Å; V65-F245 HydrophobicContact CG2-CD2 4Å; V65-F245 HydrophobicContact CG2-CE2 4.28Å; V65-F245 HydrophobicContact CG2-CG 4.18Å; V65-H264 WeakPolarHBondContact CB-ND1 3.43Å; V65-H264 WeakPolarHBondContact CG2-ND1 3.14Å; V65-H264 PolarHBondContact N-ND1 3.22Å; V65-V267 HydrophobicContact CG2-CB 3.9Å; V65-V267 HydrophobicContact CG2-CG1 3.69Å; V65-V267 HydrophobicContact CG2-CG2 4.26Å; V65-L305 HydrophobicContact CG1-CD1 4.03Å; V65-L305 HydrophobicContact CG1-CD2 3.69Å; V65-L305 HydrophobicContact CG2-CD1 4.42Å
66C94.5Very high93.1Very high4 Ų444.5 Ų44.53%0.02725%0.248CC..Hα-helixtrans-54.2-48.7171.3-61.70000110.9T64 V68 F69 L70 T143 F144T64-C66 PolarHBondContact O-N 3.28Å; C66-V68 VanDerWaalsContact C-N 3.27Å; C66-V68 PolarHBondContact O-N 3.48Å; C66-F69 PolarHBondContact O-N 3.44Å; C66-L70 WeakPolarHBondContact O-CG 3.4Å; C66-L70 PolarHBondContact O-N 2.86Å; C66-T143 HydrophobicContact CB-CG2 4.34Å; C66-T143 WeakPolarHBondContact SG-CG2 3.43Å; C66-F144 HydrophobicContact CB-CD1 4.09Å; C66-F144 HydrophobicContact CB-CE1 3.76Å; C66-F144 HydrophobicContact CB-CZ 4.18Å
67E95.2Very high93.7Very high65 Ų6548.6 Ų48.630%0.30426%0.257SS..Hα-helixtrans-68.8-27.6-176.4-64.8158.6151.600112L62 S63 T64 V65 L70 S71L62-E67 HydrophobicContact CD2-CB 3.6Å; S63-E67 VanDerWaalsContact CA-OE2 3.31Å; S63-E67 WeakPolarHBondContact CA-OE2 3.48Å; S63-E67 WeakPolarHBondContact CB-OE2 3.11Å; S63-E67 PolarHBondContact N-OE2 2.54Å; T64-E67 PolarHBondContact N-OE2 2.82Å; T64-E67 PolarHBondContact O-N 3.02Å; T64-E67 PolarHBondContact OG1-OE2 3.41Å; V65-E67 VanDerWaalsContact C-N 3.29Å; V65-E67 PolarHBondContact O-N 3.39Å; E67-L70 PolarHBondContact O-N 3.15Å; E67-S71 VanDerWaalsContact O-CB 3.29Å; E67-S71 WeakPolarHBondContact O-CB 3.3Å; E67-S71 PolarHBondContact O-N 2.83Å
68V96Very high94.3Very high0 Ų046.5 Ų46.50%025%0.246CC..Hα-helixtrans-58.8-51172.8179.80000110L62 V65 C66 V268 I271 L305 L309L62-V68 HydrophobicContact CD1-CG2 4.13Å; V65-V68 WeakPolarHBondContact O-CB 3.27Å; V65-V68 PolarHBondContact O-N 2.9Å; C66-V68 VanDerWaalsContact C-N 3.27Å; C66-V68 PolarHBondContact O-N 3.48Å; V68-V268 HydrophobicContact CG2-CG2 4.47Å; V68-I271 HydrophobicContact CG1-CD1 4.2Å; V68-I271 HydrophobicContact CG2-CD1 4.16Å; V68-L305 HydrophobicContact CG1-CB 4.26Å; V68-L305 VanDerWaalsContact CG1-O 3.22Å; V68-L305 WeakPolarHBondContact CG1-O 3.09Å; V68-L309 HydrophobicContact CG1-CB 3.83Å; V68-L309 HydrophobicContact CG1-CD1 4.35Å; V68-L309 WeakPolarHBondContact O-CA 3.49Å
69F96.2Very high94.8Very high1 Ų146.8 Ų46.80%0.00425%0.25CC..Hα-helixtrans-69.4-41.7177.8175.9-106.4000112.3V65 C66 S71 G72 L73 Y97 V100 N101 I104 L140 F144 L308V65-F69 PolarHBondContact O-N 3.12Å; C66-F69 PolarHBondContact O-N 3.44Å; F69-S71 VanDerWaalsContact C-N 3.28Å; F69-S71 PolarHBondContact O-N 3.41Å; F69-G72 PolarHBondContact O-N 3.48Å; F69-L73 HydrophobicContact CE1-CB 4.46Å; F69-L73 HydrophobicContact CE1-CD2 4.13Å; F69-L73 WeakPolarHBondContact O-CB 3.38Å; F69-L73 PolarHBondContact O-N 3.46Å; F69-Y97 HydrophobicContact CD2-CD1 4.39Å; F69-Y97 HydrophobicContact CD2-CE1 4.33Å; F69-Y97 AromaticContact CE2-CD1 3.73Å; F69-Y97 HydrophobicContact CE2-CD1 3.73Å; F69-Y97 HydrophobicContact CE2-CE1 4.04Å; F69-Y97 HydrophobicContact CZ-CD1 4.3Å; F69-V100 HydrophobicContact CE2-CG1 3.81Å; F69-V100 HydrophobicContact CZ-CB 4.26Å; F69-V100 HydrophobicContact CZ-CG1 3.67Å; F69-N101 HydrophobicContact CE1-CB 4.1Å; F69-N101 HydrophobicContact CZ-CB 4.28Å; F69-I104 HydrophobicContact CD1-CD1 4.23Å; F69-I104 HydrophobicContact CE1-CD1 3.71Å; F69-I104 HydrophobicContact CZ-CD1 3.94Å; F69-L140 HydrophobicContact CB-CD1 4.41Å; F69-L140 HydrophobicContact CB-CD2 3.85Å; F69-L140 HydrophobicContact CD1-CD1 4.44Å; F69-L140 HydrophobicContact CD2-CD1 3.63Å; F69-L140 HydrophobicContact CE2-CD1 3.95Å; F69-L140 HydrophobicContact CG-CD1 3.9Å; F69-L140 HydrophobicContact CG-CD2 4.22Å; F69-L140 HydrophobicContact CZ-CD1 4.49Å; F69-F144 AromaticContact CD1-CE2 3.78Å; F69-F144 HydrophobicContact CD1-CE2 3.78Å; F69-F144 AromaticContact CD1-CZ 3.95Å; F69-F144 HydrophobicContact CD1-CZ 3.95Å; F69-F144 HydrophobicContact CE1-CE2 4.47Å; F69-L308 HydrophobicContact CD2-CD1 4.42Å; F69-L308 HydrophobicContact CD2-CD2 4.44Å
70L95.5Very high95.2Very high75 Ų7548.1 Ų48.139%0.39326%0.261SS..Hα-helixtrans-61.5-36.2179.4-69.8176.6000112.4C66 E67 L73 N74 F144C66-L70 WeakPolarHBondContact O-CG 3.4Å; C66-L70 PolarHBondContact O-N 2.86Å; E67-L70 PolarHBondContact O-N 3.15Å; L70-L73 HydrophobicContact CD2-CD2 4.1Å; L70-L73 PolarHBondContact O-N 3.31Å; L70-N74 WeakPolarHBondContact O-CB 3.27Å; L70-N74 PolarHBondContact O-N 2.96Å; L70-F144 HydrophobicContact CD1-CE1 4.11Å; L70-F144 HydrophobicContact CD1-CZ 4.43Å; L70-F144 HydrophobicContact CD2-CE1 4.12Å; L70-F144 HydrophobicContact CD2-CZ 3.9Å; L70-F144 HydrophobicContact CG-CE1 4.05Å; L70-F144 HydrophobicContact CG-CZ 3.87Å
71S94.9Very high95.8Very high28 Ų2846.2 Ų46.220%0.19625%0.245CC..Hα-helixtrans-58.3-55.1175.7-177.20000110.6E67 F69 L73 N74 F75E67-S71 VanDerWaalsContact O-CB 3.29Å; E67-S71 WeakPolarHBondContact O-CB 3.3Å; E67-S71 PolarHBondContact O-N 2.83Å; F69-S71 VanDerWaalsContact C-N 3.28Å; F69-S71 PolarHBondContact O-N 3.41Å; S71-L73 PolarHBondContact O-N 3.36Å; S71-N74 WeakPolarHBondContact O-CB 3.43Å; S71-N74 PolarHBondContact O-N 3.45Å; S71-N74 VanDerWaalsContact O-N 3.15Å; S71-F75 WeakPolarHBondContact O-CD1 3.45Å; S71-F75 WeakPolarHBondContact O-CE1 3.41Å
72G96.1Very high96.2Very high0 Ų039.2 Ų39.20%021%0.208CC..Hα-helixtrans-60.3-41.617600000113.6F69 N74 F75 S76 L308 L309F69-G72 PolarHBondContact O-N 3.48Å; G72-N74 VanDerWaalsContact C-N 3.27Å; G72-N74 PolarHBondContact O-N 2.9Å; G72-F75 PolarHBondContact O-N 3.34Å; G72-S76 VanDerWaalsContact O-CB 3.3Å; G72-S76 WeakPolarHBondContact O-CB 3.38Å; G72-S76 PolarHBondContact O-N 3.15Å; G72-L308 WeakPolarHBondContact CA-O 3.27Å; G72-L309 WeakPolarHBondContact CA-O 3Å; G72-L309 PolarHBondContact N-O 3.2Å
73L96.9Very high96.4Very high22 Ų2238.5 Ų38.512%0.11520%0.204CC..Hα-helixtrans-58.5-38.4176.3175.564.2000112.1F69 L70 S71 F75 R77 Y97 N101F69-L73 HydrophobicContact CE1-CB 4.46Å; F69-L73 HydrophobicContact CE1-CD2 4.13Å; F69-L73 WeakPolarHBondContact O-CB 3.38Å; F69-L73 PolarHBondContact O-N 3.46Å; L70-L73 HydrophobicContact CD2-CD2 4.1Å; L70-L73 PolarHBondContact O-N 3.31Å; S71-L73 PolarHBondContact O-N 3.36Å; L73-F75 VanDerWaalsContact C-N 3.35Å; L73-F75 PolarHBondContact O-N 3.47Å; L73-R77 HydrophobicContact CD1-CG 4.23Å; L73-R77 WeakPolarHBondContact O-CA 3.27Å; L73-R77 WeakPolarHBondContact O-CB 3.42Å; L73-R77 PolarHBondContact O-N 3.31Å; L73-R77 VanDerWaalsContact O-N 3.15Å; L73-Y97 HydrophobicContact CB-CD1 4.34Å; L73-N101 HydrophobicContact CD1-CB 4.2Å; L73-N101 HydrophobicContact CD2-CB 3.93Å
74N95.4Very high96.4Very high143 Ų14338.9 Ų38.977%0.76520%0.197SC*.Hα-helixtrans-60.1-42-174.8-171.640.2000112.4L70 S71 G72L70-N74 WeakPolarHBondContact O-CB 3.27Å; L70-N74 PolarHBondContact O-N 2.96Å; S71-N74 WeakPolarHBondContact O-CB 3.43Å; S71-N74 PolarHBondContact O-N 3.45Å; S71-N74 VanDerWaalsContact O-N 3.15Å; G72-N74 VanDerWaalsContact C-N 3.27Å; G72-N74 PolarHBondContact O-N 2.9Å
75F93.3Very high96.3Very high93 Ų9339.4 Ų39.441%0.40820%0.199SC..Hα-helixtrans-107.1-15.1-177.658.6-98.6000114.7V58 S71 G72 L73 N285 L309 V310V58-F75 HydrophobicContact CG2-CE1 4.5Å; S71-F75 WeakPolarHBondContact O-CD1 3.45Å; S71-F75 WeakPolarHBondContact O-CE1 3.41Å; G72-F75 PolarHBondContact O-N 3.34Å; L73-F75 VanDerWaalsContact C-N 3.35Å; L73-F75 PolarHBondContact O-N 3.47Å; F75-N285 HydrophobicContact CD2-CB 4.33Å; F75-N285 HydrophobicContact CE2-CB 4.11Å; F75-L309 WeakPolarHBondContact CZ-O 3.46Å; F75-V310 VanDerWaalsContact CE2-C 3.44Å; F75-V310 VanDerWaalsContact CE2-O 3.27Å; F75-V310 WeakPolarHBondContact CE2-O 3.48Å; F75-V310 VanDerWaalsContact CZ-C 3.42Å
76S96.7Very high95.9Very high1 Ų143.4 Ų43.41%0.00722%0.217CC..Hα-helixtrans-113.422.7178.5-77.80000114.1G72 N78 S79 Y97 N285 G311G72-S76 VanDerWaalsContact O-CB 3.3Å; G72-S76 WeakPolarHBondContact O-CB 3.38Å; G72-S76 PolarHBondContact O-N 3.15Å; S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.49Å; S76-S79 WeakPolarHBondContact O-CB 3.24Å; S76-S79 PolarHBondContact O-N 2.66Å; S76-Y97 WeakPolarHBondContact O-CB 3.42Å; S76-Y97 WeakPolarHBondContact O-CD2 3.41Å; S76-N285 VanDerWaalsContact OG-CB 3.27Å; S76-N285 WeakPolarHBondContact OG-CB 3.09Å; S76-G311 WeakPolarHBondContact CB-O 3.48Å; S76-G311 WeakPolarHBondContact OG-CA 3.46Å; S76-G311 PolarHBondContact OG-O 2.81Å
77R97.4Very high95.6Very high130 Ų13049 Ų4949%0.49124%0.239SC..THydrogen-bonded Turntrans-45.1-45.1-172.2-171.1170.2-176.4179.22.4115.3L73 R98L73-R77 HydrophobicContact CD1-CG 4.23Å; L73-R77 WeakPolarHBondContact O-CA 3.27Å; L73-R77 WeakPolarHBondContact O-CB 3.42Å; L73-R77 PolarHBondContact O-N 3.31Å; L73-R77 VanDerWaalsContact O-N 3.15Å; R77-R98 HydrophobicContact CG-CB 3.85Å; R77-R98 HydrophobicContact CG-CG 4.35Å; R77-R98 VanDerWaalsContact O-CB 3.31Å; R77-R98 WeakPolarHBondContact O-CB 3.46Å; R77-R98 PolarHBondContact O-N 3.17Å
78N97.9Very high95.2Very high110 Ų11048.4 Ų48.459%0.58824%0.241SC*.THydrogen-bonded Turntrans-100.52.1-177.4-59.4-22.9000113.2S76 T96 R98S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.49Å; N78-T96 WeakPolarHBondContact O-CG2 3.43Å; N78-R98 VanDerWaalsContact OD1-CZ 3.22Å; N78-R98 PolarHBondContact OD1-NE 3.23Å; N78-R98 VanDerWaalsContact OD1-NE 3.12Å; N78-R98 PolarHBondContact OD1-NH2 2.65Å
79S98Very high94.8Very high50 Ų5056.5 Ų56.535%0.3528%0.279SS..SBendtrans-82.3156.3177.3-57.40000110.6S76 C81 T96 Y97S76-S79 WeakPolarHBondContact O-CB 3.24Å; S76-S79 PolarHBondContact O-N 2.66Å; S79-C81 PolarHBondContact O-N 2.84Å; S79-T96 WeakPolarHBondContact O-CA 3.25Å; S79-T96 WeakPolarHBondContact O-CB 3.47Å; S79-Y97 PolarHBondContact O-N 2.71Å; S79-Y97 VanDerWaalsContact O-N 3.16Å
80A98.2Very high94.5Very high28 Ų2859.9 Ų59.923%0.23130%0.295CS..EExtended strand (participates in β ladder)trans-57.7134.9173.600000111W94 R313A80-W94 HydrophobicContact CB-CB 3.84Å; A80-W94 HydrophobicContact CB-CD2 3.97Å; A80-W94 HydrophobicContact CB-CE3 3.92Å; A80-W94 HydrophobicContact CB-CG 3.95Å; A80-R313 HydrophobicContact CB-CB 4.27Å; A80-R313 WeakPolarHBondContact O-CB 3.25Å
81C98.6Very high94.4Very high0 Ų063.3 Ų63.30%031%0.314CS..EExtended strand (participates in β ladder)trans-116.2-64.9-179.4-176.60000110.5S79 I95 Y97 V100 L308 R313 I314S79-C81 PolarHBondContact O-N 2.84Å; C81-I95 WeakPolarHBondContact CA-O 3.48Å; C81-I95 WeakPolarHBondContact CB-O 3.36Å; C81-I95 PolarHBondContact N-O 2.9Å; C81-Y97 HydrophobicContact CB-CD1 4.32Å; C81-Y97 HydrophobicContact CB-CD2 3.47Å; C81-Y97 VanDerWaalsContact CB-CD2 3.47Å; C81-Y97 HydrophobicContact CB-CE2 3.69Å; C81-Y97 HydrophobicContact CB-CG 3.8Å; C81-V100 HydrophobicContact CB-CG2 4.03Å; C81-L308 VanDerWaalsContact SG-CD2 3.6Å; C81-R313 CarbonylContact O-C 3.53Å; C81-R313 VanDerWaalsContact O-CA 3.3Å; C81-R313 WeakPolarHBondContact O-CA 3.43Å; C81-I314 PolarHBondContact O-N 3.09Å
82L98.6Very high94.5Very high0 Ų063 Ų630%031%0.308CS..EExtended strand (participates in β ladder)trans-119138.5-178-53.1177.6000109.9W94 I95 V100 P133 I136 M137 L308 I314 F316L82-W94 WeakPolarHBondContact O-CA 3.48Å; L82-I95 HydrophobicContact CB-CD1 4.04Å; L82-I95 HydrophobicContact CB-CG1 3.79Å; L82-I95 HydrophobicContact CD1-CD1 4.27Å; L82-I95 PolarHBondContact N-O 3.34Å; L82-I95 WeakPolarHBondContact O-CG1 3.37Å; L82-I95 PolarHBondContact O-N 2.72Å; L82-V100 HydrophobicContact CD1-CG1 4.49Å; L82-V100 HydrophobicContact CD1-CG2 3.93Å; L82-V100 HydrophobicContact CG-CG2 4.07Å; L82-P133 HydrophobicContact CB-CB 4.02Å; L82-P133 HydrophobicContact CD1-CB 4.16Å; L82-I136 HydrophobicContact CD1-CB 4.01Å; L82-I136 HydrophobicContact CD1-CG2 3.98Å; L82-I136 HydrophobicContact CD2-CB 4.43Å; L82-I136 HydrophobicContact CD2-CG2 4.15Å; L82-M137 HydrophobicContact CD1-CG 4.06Å; L82-L308 HydrophobicContact CD2-CD2 4.49Å; L82-I314 CarbonylContact C-O 3.59Å; L82-I314 WeakPolarHBondContact CA-O 3.13Å; L82-I314 HydrophobicContact CD2-CB 4.12Å; L82-I314 HydrophobicContact CD2-CD1 4.23Å; L82-F316 HydrophobicContact CB-CE2 4.2Å; L82-F316 HydrophobicContact CD2-CE2 4.1Å; L82-F316 HydrophobicContact CD2-CZ 4.33Å
83G97.6Very high94.5Very high0 Ų067.6 Ų67.60%033%0.328CS..EExtended strand (participates in β ladder)trans-139.2143.4-177.700000114.8K93 W94 I314 G315 F316G83-K93 CarbonylContact C-O 3.55Å; G83-K93 WeakPolarHBondContact CA-O 3.41Å; G83-W94 VanDerWaalsContact CA-CE3 3.45Å; G83-I314 PolarHBondContact N-O 3.45Å; G83-G315 WeakPolarHBondContact O-CA 3.12Å; G83-F316 WeakPolarHBondContact O-CD2 3.4Å; G83-F316 PolarHBondContact O-N 2.86Å
84W95.4Very high94.5Very high62 Ų6269.8 Ų69.824%0.23534%0.335CS..EExtended strand (participates in β ladder)trans-144.2168.1178.672.4101000111.2K93 I95 P133W84-K93 HydrophobicContact CZ2-CB 4.45Å; W84-K93 PolarHBondContact N-O 3.17Å; W84-K93 PolarHBondContact O-N 2.97Å; W84-I95 HydrophobicContact CH2-CG2 3.78Å; W84-I95 HydrophobicContact CZ3-CB 4.45Å; W84-I95 HydrophobicContact CZ3-CD1 4.35Å; W84-I95 HydrophobicContact CZ3-CG1 4.13Å; W84-I95 HydrophobicContact CZ3-CG2 3.73Å; W84-P133 HydrophobicContact CB-CG 4.05Å; W84-P133 HydrophobicContact CD2-CG 4.15Å; W84-P133 HydrophobicContact CE3-CB 4.36Å; W84-P133 HydrophobicContact CE3-CG 3.68Å; W84-P133 HydrophobicContact CG-CG 4.32Å; W84-P133 HydrophobicContact CZ3-CG 4.46Å
85R93Very high94.6Very high16 Ų1663.7 Ų63.76%0.0630%0.302CS..  trans-146.5154.2169.161.5-177.7-179.6170.43.5109.3Y87 C88 Q90 Y92 T318 A326 D327R85-Y87 WeakPolarHBondContact CD-O 3.37Å; R85-C88 PolarHBondContact NH1-O 3.43Å; R85-Q90 WeakPolarHBondContact CD-O 3.46Å; R85-Q90 PolarHBondContact NH1-O 3.12Å; R85-Q90 VanDerWaalsContact NH1-O 3.12Å; R85-Y92 HydrophobicContact CG-CD2 4.28Å; R85-Y92 HydrophobicContact CG-CE2 4.04Å; R85-T318 HydrophobicContact CG-CG2 4.09Å; R85-T318 WeakPolarHBondContact CG-OG1 3.47Å; R85-T318 PolarHBondContact NE-OG1 3.44Å; R85-A326 PolarHBondContact NH2-O 2.97Å; R85-A326 VanDerWaalsContact NH2-O 3.15Å; R85-D327 IonicContact CZ-OD1 2.87Å; R85-D327 VanDerWaalsContact CZ-OD1 3.29Å; R85-D327 IonicContact NE-OD1 2.78Å; R85-D327 PolarHBondContact NE-OD1 3.39Å; R85-D327 VanDerWaalsContact NE-OD1 3.1Å; R85-D327 IonicContact NH2-OD1 3.93Å; R85-D327 PolarHBondContact NH2-OD1 3.23Å
86E87.6Confident94.9Very high83 Ų8360.8 Ų60.839%0.38829%0.292SS..SBendtrans-87.3-33.1-179.4-69.5156.7-133.800111.7K93 T318E86-K93 IonicContact OE1-NZ 2.68Å; E86-K93 PolarHBondContact OE1-NZ 2.7Å; E86-T318 WeakPolarHBondContact O-CG2 3.4Å
87Y89.3Confident95Very high123 Ų12360.8 Ų60.848%0.48229%0.292SS..SBendtrans-133.2146.7-176.3-55.8-84.7000110.5R85 E89 Q90R85-Y87 WeakPolarHBondContact CD-O 3.37Å; Y87-E89 WeakPolarHBondContact CB-OE2 3.43Å; Y87-E89 PolarHBondContact O-N 3.47Å; Y87-Q90 PolarHBondContact O-N 2.95Å; Y87-Q90 VanDerWaalsContact O-N 3.08Å
88C86.2Confident95Very high52 Ų5259 Ų5935%0.35129%0.285SS..THydrogen-bonded Turntrans-65.8-20.3-175.1-71.10000113.2R85 Q90R85-C88 PolarHBondContact NH1-O 3.43Å; C88-Q90 VanDerWaalsContact C-N 3.33Å
89E87.3Confident95.1Very high169 Ų16958 Ų5879%0.7928%0.277SS*.THydrogen-bonded Turntrans-80.5-15.7178.7-58.274.4-162.800112.4Y87Y87-E89 WeakPolarHBondContact CB-OE2 3.43Å; Y87-E89 PolarHBondContact O-N 3.47Å
90Q90.4Very high95.1Very high72 Ų7255.6 Ų55.634%0.33626%0.26SS..SBendtrans-90.3152.8-179.9-65.9179.6-8.500111.9R85 Y87 C88R85-Q90 WeakPolarHBondContact CD-O 3.46Å; R85-Q90 PolarHBondContact NH1-O 3.12Å; R85-Q90 VanDerWaalsContact NH1-O 3.12Å; Y87-Q90 PolarHBondContact O-N 2.95Å; Y87-Q90 VanDerWaalsContact O-N 3.08Å; C88-Q90 VanDerWaalsContact C-N 3.33Å
91D93.9Very high95Very high148 Ų14856.8 Ų56.879%0.79126%0.263SS*.PPolyproline II helixtrans-69.6152.5166.1-74.3-35.9000111.1K93D91-K93 PolarHBondContact O-N 3.08Å
92Y95.9Very high94.9Very high21 Ų2161.2 Ų61.28%0.08229%0.286CS..PPolyproline II helixtrans-64.4126.9173.1-88.3-104.2000110.9R85 W94 F316 D327 A330 V331R85-Y92 HydrophobicContact CG-CD2 4.28Å; R85-Y92 HydrophobicContact CG-CE2 4.04Å; Y92-W94 HydrophobicContact CD1-CZ2 4.25Å; Y92-W94 HydrophobicContact CG-CZ2 4.23Å; Y92-W94 PolarHBondContact O-NE1 2.97Å; Y92-F316 VanDerWaalsContact CE1-O 3.31Å; Y92-F316 WeakPolarHBondContact CE1-O 3.15Å; Y92-F316 PolarHBondContact OH-O 2.86Å; Y92-D327 WeakPolarHBondContact OH-CB 3.38Å; Y92-D327 PolarHBondContact OH-OD1 3.28Å; Y92-A330 HydrophobicContact CD2-CB 3.91Å; Y92-A330 HydrophobicContact CE2-CB 3.7Å; Y92-V331 HydrophobicContact CD1-CG2 4.21Å; Y92-V331 HydrophobicContact CD2-CG2 4.06Å; Y92-V331 HydrophobicContact CE1-CG2 3.75Å; Y92-V331 HydrophobicContact CE2-CG2 3.56Å; Y92-V331 HydrophobicContact CG-CG2 4.37Å
93K96.6Very high94.7Very high96 Ų9665.1 Ų65.142%0.41730%0.303SS..EExtended strand (participates in β ladder)trans-80.7132.3165-61.4175.2-173.9170.10107.9G83 W84 E86 D91G83-K93 CarbonylContact C-O 3.55Å; G83-K93 WeakPolarHBondContact CA-O 3.41Å; W84-K93 HydrophobicContact CZ2-CB 4.45Å; W84-K93 PolarHBondContact N-O 3.17Å; W84-K93 PolarHBondContact O-N 2.97Å; E86-K93 IonicContact OE1-NZ 2.68Å; E86-K93 PolarHBondContact OE1-NZ 2.7Å; D91-K93 PolarHBondContact O-N 3.08Å
94W97.7Very high94.6Very high68 Ų6865.3 Ų65.326%0.25830%0.304SS..EExtended strand (participates in β ladder)trans-119.2137.9-177.4-63.590.3000111.2A80 L82 G83 Y92 R313 I314A80-W94 HydrophobicContact CB-CB 3.84Å; A80-W94 HydrophobicContact CB-CD2 3.97Å; A80-W94 HydrophobicContact CB-CE3 3.92Å; A80-W94 HydrophobicContact CB-CG 3.95Å; L82-W94 WeakPolarHBondContact O-CA 3.48Å; G83-W94 VanDerWaalsContact CA-CE3 3.45Å; Y92-W94 HydrophobicContact CD1-CZ2 4.25Å; Y92-W94 HydrophobicContact CG-CZ2 4.23Å; Y92-W94 PolarHBondContact O-NE1 2.97Å; W94-R313 HydrophobicContact CE3-CB 4.09Å; W94-R313 HydrophobicContact CE3-CG 4.43Å; W94-R313 HydrophobicContact CH2-CB 4.24Å; W94-R313 HydrophobicContact CH2-CG 3.83Å; W94-R313 HydrophobicContact CZ3-CB 3.61Å; W94-R313 HydrophobicContact CZ3-CG 3.74Å; W94-I314 WeakPolarHBondContact CZ3-O 3.49Å
95I98Very high94.5Very high16 Ų1664.1 Ų64.18%0.08231%0.311CS..EExtended strand (participates in β ladder)trans-102.6140.7164.954.5177.1000109.8C81 L82 W84 Q99 V100 M137C81-I95 WeakPolarHBondContact CA-O 3.48Å; C81-I95 WeakPolarHBondContact CB-O 3.36Å; C81-I95 PolarHBondContact N-O 2.9Å; L82-I95 HydrophobicContact CB-CD1 4.04Å; L82-I95 HydrophobicContact CB-CG1 3.79Å; L82-I95 HydrophobicContact CD1-CD1 4.27Å; L82-I95 PolarHBondContact N-O 3.34Å; L82-I95 WeakPolarHBondContact O-CG1 3.37Å; L82-I95 PolarHBondContact O-N 2.72Å; W84-I95 HydrophobicContact CH2-CG2 3.78Å; W84-I95 HydrophobicContact CZ3-CB 4.45Å; W84-I95 HydrophobicContact CZ3-CD1 4.35Å; W84-I95 HydrophobicContact CZ3-CG1 4.13Å; W84-I95 HydrophobicContact CZ3-CG2 3.73Å; I95-Q99 HydrophobicContact CB-CB 4.42Å; I95-V100 HydrophobicContact CB-CG2 4.5Å; I95-V100 HydrophobicContact CD1-CG2 3.55Å; I95-V100 HydrophobicContact CG1-CG2 3.77Å; I95-M137 HydrophobicContact CD1-CE 4.31Å; I95-M137 HydrophobicContact CD1-SD 3.85Å
96T98.7Very high94.6Very high32 Ų3265.5 Ų65.520%0.19632%0.321CS..EExtended strand (participates in β ladder)trans-78.5161.4-178.760.70000112.2N78 S79 R98 Q99 V100N78-T96 WeakPolarHBondContact O-CG2 3.43Å; S79-T96 WeakPolarHBondContact O-CA 3.25Å; S79-T96 WeakPolarHBondContact O-CB 3.47Å; T96-R98 PolarHBondContact O-N 3.35Å; T96-Q99 PolarHBondContact O-N 2.82Å; T96-Q99 VanDerWaalsContact O-N 3.13Å; T96-Q99 VanDerWaalsContact OG1-CG 3.32Å; T96-Q99 WeakPolarHBondContact OG1-CG 3.36Å; T96-Q99 PolarHBondContact OG1-N 2.87Å; T96-Q99 PolarHBondContact OG1-OE1 3.05Å; T96-V100 WeakPolarHBondContact O-CG2 3.43Å; T96-V100 PolarHBondContact O-N 2.68Å
97Y98.6Very high94.9Very high0 Ų061.6 Ų61.60%030%0.303CS..Hα-helixtrans-54.5-40.2173.5-87-93000112.6F69 L73 S76 S79 C81 V100 N101 L308 G311 A312F69-Y97 HydrophobicContact CD2-CD1 4.39Å; F69-Y97 HydrophobicContact CD2-CE1 4.33Å; F69-Y97 AromaticContact CE2-CD1 3.73Å; F69-Y97 HydrophobicContact CE2-CD1 3.73Å; F69-Y97 HydrophobicContact CE2-CE1 4.04Å; F69-Y97 HydrophobicContact CZ-CD1 4.3Å; L73-Y97 HydrophobicContact CB-CD1 4.34Å; S76-Y97 WeakPolarHBondContact O-CB 3.42Å; S76-Y97 WeakPolarHBondContact O-CD2 3.41Å; S79-Y97 PolarHBondContact O-N 2.71Å; S79-Y97 VanDerWaalsContact O-N 3.16Å; C81-Y97 HydrophobicContact CB-CD1 4.32Å; C81-Y97 HydrophobicContact CB-CD2 3.47Å; C81-Y97 VanDerWaalsContact CB-CD2 3.47Å; C81-Y97 HydrophobicContact CB-CE2 3.69Å; C81-Y97 HydrophobicContact CB-CG 3.8Å; Y97-V100 PolarHBondContact O-N 3.1Å; Y97-N101 WeakPolarHBondContact O-CB 3.45Å; Y97-N101 PolarHBondContact O-N 3Å; Y97-L308 HydrophobicContact CE1-CD2 4.13Å; Y97-L308 WeakPolarHBondContact OH-CA 3.27Å; Y97-L308 PolarHBondContact OH-O 3.42Å; Y97-L308 VanDerWaalsContact OH-O 3.07Å; Y97-G311 WeakPolarHBondContact OH-CA 3.44Å; Y97-A312 PolarHBondContact OH-N 2.91Å; Y97-A312 PolarHBondContact OH-O 3.1Å
98R98.3Very high95.1Very high93 Ų9358.1 Ų58.135%0.35129%0.289SS..Hα-helixtrans-58.8-51.1174.3-173.7-174.6-58.7-148.5-3.1111.7R77 N78 T96 V100 N101 D102R77-R98 HydrophobicContact CG-CB 3.85Å; R77-R98 HydrophobicContact CG-CG 4.35Å; R77-R98 VanDerWaalsContact O-CB 3.31Å; R77-R98 WeakPolarHBondContact O-CB 3.46Å; R77-R98 PolarHBondContact O-N 3.17Å; N78-R98 VanDerWaalsContact OD1-CZ 3.22Å; N78-R98 PolarHBondContact OD1-NE 3.23Å; N78-R98 VanDerWaalsContact OD1-NE 3.12Å; N78-R98 PolarHBondContact OD1-NH2 2.65Å; T96-R98 PolarHBondContact O-N 3.35Å; R98-V100 VanDerWaalsContact C-N 3.3Å; R98-V100 PolarHBondContact O-N 2.59Å; R98-N101 WeakPolarHBondContact O-CB 3.42Å; R98-N101 PolarHBondContact O-N 2.72Å; R98-N101 VanDerWaalsContact O-N 3.12Å; R98-D102 PolarHBondContact O-N 3.24Å
99Q98.3Very high95.4Very high89 Ų8955.8 Ų55.842%0.41627%0.273SS..Hα-helixtrans-64-36.6-179.6-71.6166.1-4700112.1I95 T96 D102 K103I95-Q99 HydrophobicContact CB-CB 4.42Å; T96-Q99 PolarHBondContact O-N 2.82Å; T96-Q99 VanDerWaalsContact O-N 3.13Å; T96-Q99 VanDerWaalsContact OG1-CG 3.32Å; T96-Q99 WeakPolarHBondContact OG1-CG 3.36Å; T96-Q99 PolarHBondContact OG1-N 2.87Å; T96-Q99 PolarHBondContact OG1-OE1 3.05Å; Q99-D102 PolarHBondContact O-N 3.41Å; Q99-K103 WeakPolarHBondContact O-CB 3.37Å; Q99-K103 WeakPolarHBondContact O-CG 3.08Å; Q99-K103 PolarHBondContact O-N 2.78Å
100V98.3Very high95.8Very high0 Ų047.7 Ų47.70%024%0.236CC..Hα-helixtrans-61.1-47.2172.31700000110.2F69 C81 L82 I95 T96 Y97 R98 D102 K103 I104 M137 L140F69-V100 HydrophobicContact CE2-CG1 3.81Å; F69-V100 HydrophobicContact CZ-CB 4.26Å; F69-V100 HydrophobicContact CZ-CG1 3.67Å; C81-V100 HydrophobicContact CB-CG2 4.03Å; L82-V100 HydrophobicContact CD1-CG1 4.49Å; L82-V100 HydrophobicContact CD1-CG2 3.93Å; L82-V100 HydrophobicContact CG-CG2 4.07Å; I95-V100 HydrophobicContact CB-CG2 4.5Å; I95-V100 HydrophobicContact CD1-CG2 3.55Å; I95-V100 HydrophobicContact CG1-CG2 3.77Å; T96-V100 WeakPolarHBondContact O-CG2 3.43Å; T96-V100 PolarHBondContact O-N 2.68Å; Y97-V100 PolarHBondContact O-N 3.1Å; R98-V100 VanDerWaalsContact C-N 3.3Å; R98-V100 PolarHBondContact O-N 2.59Å; V100-D102 PolarHBondContact O-N 3.09Å; V100-K103 PolarHBondContact O-N 3.18Å; V100-I104 HydrophobicContact CG1-CD1 3.87Å; V100-I104 HydrophobicContact CG1-CG1 4.49Å; V100-I104 VanDerWaalsContact O-CG1 3.29Å; V100-I104 WeakPolarHBondContact O-CG1 3.28Å; V100-I104 PolarHBondContact O-N 2.87Å; V100-M137 HydrophobicContact CG1-CG 4.19Å; V100-L140 HydrophobicContact CG1-CD1 4.46Å
101N96.8Very high95.9Very high53 Ų5344.3 Ų44.328%0.28322%0.22SC..Hα-helixtrans-61.4-41.2177.6-173.976.8000113F69 L73 Y97 R98 I104 G105F69-N101 HydrophobicContact CE1-CB 4.1Å; F69-N101 HydrophobicContact CZ-CB 4.28Å; L73-N101 HydrophobicContact CD1-CB 4.2Å; L73-N101 HydrophobicContact CD2-CB 3.93Å; Y97-N101 WeakPolarHBondContact O-CB 3.45Å; Y97-N101 PolarHBondContact O-N 3Å; R98-N101 WeakPolarHBondContact O-CB 3.42Å; R98-N101 PolarHBondContact O-N 2.72Å; R98-N101 VanDerWaalsContact O-N 3.12Å; N101-I104 WeakPolarHBondContact O-CB 3.31Å; N101-I104 PolarHBondContact O-N 2.74Å; N101-G105 PolarHBondContact O-N 3.21Å
102D95.5Very high95.7Very high92 Ų9241.2 Ų41.249%0.49220%0.2SC..Hα-helixtrans-64.4-43.3177.2-59.8-22.7000110.6R98 Q99 V100 I104 G105 V106R98-D102 PolarHBondContact O-N 3.24Å; Q99-D102 PolarHBondContact O-N 3.41Å; V100-D102 PolarHBondContact O-N 3.09Å; D102-I104 PolarHBondContact O-N 3.16Å; D102-G105 PolarHBondContact O-N 3.22Å; D102-V106 PolarHBondContact O-N 3.3Å
103K95.6Very high95.5Very high83 Ų8342.6 Ų42.636%0.36122%0.216SC..Hα-helixtrans-64.3-38175.3-76.5-178.4174.7-70.50112.8Q99 V100 G105 V106 I107 M137Q99-K103 WeakPolarHBondContact O-CB 3.37Å; Q99-K103 WeakPolarHBondContact O-CG 3.08Å; Q99-K103 PolarHBondContact O-N 2.78Å; V100-K103 PolarHBondContact O-N 3.18Å; K103-G105 VanDerWaalsContact C-N 3.26Å; K103-G105 PolarHBondContact O-N 3.26Å; K103-V106 PolarHBondContact O-N 2.95Å; K103-I107 WeakPolarHBondContact O-CD1 3.28Å; K103-I107 VanDerWaalsContact O-CG1 3.25Å; K103-I107 WeakPolarHBondContact O-CG1 3.42Å; K103-I107 PolarHBondContact O-N 3.36Å; K103-M137 HydrophobicContact CB-SD 3.79Å; K103-M137 HydrophobicContact CD-CE 4.08Å; K103-M137 HydrophobicContact CD-SD 3.48Å; K103-M137 WeakPolarHBondContact CD-SD 3.04Å; K103-M137 HydrophobicContact CG-SD 4.27Å
104I95Very high95.1Very high4 Ų438.6 Ų38.62%0.02120%0.199CC..Hα-helixtrans-55.5-45.1172.5-74.9162.8000109.9F69 V100 N101 D102 V106 I107 R108 L140 A141 F144F69-I104 HydrophobicContact CD1-CD1 4.23Å; F69-I104 HydrophobicContact CE1-CD1 3.71Å; F69-I104 HydrophobicContact CZ-CD1 3.94Å; V100-I104 HydrophobicContact CG1-CD1 3.87Å; V100-I104 HydrophobicContact CG1-CG1 4.49Å; V100-I104 VanDerWaalsContact O-CG1 3.29Å; V100-I104 WeakPolarHBondContact O-CG1 3.28Å; V100-I104 PolarHBondContact O-N 2.87Å; N101-I104 WeakPolarHBondContact O-CB 3.31Å; N101-I104 PolarHBondContact O-N 2.74Å; D102-I104 PolarHBondContact O-N 3.16Å; I104-V106 PolarHBondContact O-N 3.27Å; I104-I107 PolarHBondContact O-N 2.97Å; I104-R108 HydrophobicContact CG2-CG 4.27Å; I104-R108 WeakPolarHBondContact O-CB 3.37Å; I104-R108 WeakPolarHBondContact O-CG 3.42Å; I104-R108 PolarHBondContact O-N 3.47Å; I104-L140 HydrophobicContact CD1-CB 3.54Å; I104-L140 HydrophobicContact CD1-CD1 3.74Å; I104-L140 HydrophobicContact CD1-CG 4.29Å; I104-L140 HydrophobicContact CG1-CB 3.98Å; I104-A141 HydrophobicContact CG2-CB 4.27Å; I104-F144 HydrophobicContact CD1-CE2 4.44Å; I104-F144 HydrophobicContact CG2-CD2 3.78Å; I104-F144 HydrophobicContact CG2-CE2 4.41Å; I104-F144 HydrophobicContact CG2-CG 4.46Å
105G93Very high94.6Very high36 Ų3638.4 Ų38.437%0.37120%0.2SC..Hα-helixtrans-56.1-46.3176.600000113.5N101 D102 K103 R108 S109N101-G105 PolarHBondContact O-N 3.21Å; D102-G105 PolarHBondContact O-N 3.22Å; K103-G105 VanDerWaalsContact C-N 3.26Å; K103-G105 PolarHBondContact O-N 3.26Å; G105-R108 PolarHBondContact O-N 2.81Å; G105-S109 PolarHBondContact O-N 3.03Å; G105-S109 VanDerWaalsContact O-N 3.16Å
106V94.9Very high93.5Very high46 Ų4640.4 Ų40.428%0.27921%0.211SC..Hα-helixtrans-63.9-47.7178-178.90000111.3D102 K103 I104 R108 S109 A110 L226 N229D102-V106 PolarHBondContact O-N 3.3Å; K103-V106 PolarHBondContact O-N 2.95Å; I104-V106 PolarHBondContact O-N 3.27Å; V106-R108 VanDerWaalsContact C-N 3.29Å; V106-R108 PolarHBondContact O-N 3.24Å; V106-S109 WeakPolarHBondContact O-CB 3.49Å; V106-S109 PolarHBondContact O-N 2.87Å; V106-A110 PolarHBondContact O-N 3.43Å; V106-L226 HydrophobicContact CG1-CB 4.17Å; V106-L226 HydrophobicContact CG1-CD2 3.87Å; V106-L226 HydrophobicContact CG1-CG 4.46Å; V106-N229 HydrophobicContact CG1-CB 3.83Å
107I95.6Very high92Very high0 Ų051.3 Ų51.30%025%0.248CC..Hα-helixtrans-61.6-40.3-179.6-64.2160.7000110.6K103 I104 A110 L111 M137 V138 A141 Y222 F225 L226K103-I107 WeakPolarHBondContact O-CD1 3.28Å; K103-I107 VanDerWaalsContact O-CG1 3.25Å; K103-I107 WeakPolarHBondContact O-CG1 3.42Å; K103-I107 PolarHBondContact O-N 3.36Å; I104-I107 PolarHBondContact O-N 2.97Å; I107-A110 PolarHBondContact O-N 2.82Å; I107-L111 HydrophobicContact CG2-CD1 4.01Å; I107-L111 HydrophobicContact CG2-CG 4.25Å; I107-L111 WeakPolarHBondContact O-CB 3.36Å; I107-L111 WeakPolarHBondContact O-CG 3.41Å; I107-L111 PolarHBondContact O-N 3.33Å; I107-M137 HydrophobicContact CD1-CB 3.6Å; I107-V138 HydrophobicContact CG2-CG2 4.18Å; I107-A141 HydrophobicContact CB-CB 3.79Å; I107-A141 HydrophobicContact CG2-CB 3.46Å; I107-A141 VanDerWaalsContact CG2-CB 3.46Å; I107-Y222 WeakPolarHBondContact CD1-OH 3.35Å; I107-F225 HydrophobicContact CG2-CE1 4.13Å; I107-F225 HydrophobicContact CG2-CZ 4.17Å; I107-L226 HydrophobicContact CG1-CD2 3.79Å
108R93.3Very high90.5Very high50 Ų5053.1 Ų53.119%0.18927%0.267CS..Hα-helixtrans-58.4-49.8175.5-70.5174.670-147.8-4.8110.9I104 G105 V106 A110 L111 H112 A141 F144 S145 I234 T236I104-R108 HydrophobicContact CG2-CG 4.27Å; I104-R108 WeakPolarHBondContact O-CB 3.37Å; I104-R108 WeakPolarHBondContact O-CG 3.42Å; I104-R108 PolarHBondContact O-N 3.47Å; G105-R108 PolarHBondContact O-N 2.81Å; V106-R108 VanDerWaalsContact C-N 3.29Å; V106-R108 PolarHBondContact O-N 3.24Å; R108-A110 VanDerWaalsContact C-N 3.35Å; R108-A110 PolarHBondContact O-N 2.86Å; R108-L111 PolarHBondContact O-N 3.26Å; R108-H112 PolarHBondContact O-N 2.94Å; R108-A141 HydrophobicContact CG-CB 3.74Å; R108-A141 WeakPolarHBondContact CG-O 3.47Å; R108-F144 PolarHBondContact NH2-O 3.08Å; R108-F144 VanDerWaalsContact NH2-O 3.14Å; R108-S145 WeakPolarHBondContact CG-OG 3.46Å; R108-S145 PolarHBondContact NE-OG 2.85Å; R108-I234 HydrophobicContact CB-CD1 4.01Å; R108-I234 PolarHBondContact NH2-O 3.04Å; R108-I234 WeakPolarHBondContact O-CD1 3.18Å; R108-T236 PolarHBondContact NH2-OG1 3.47Å
109S92.7Very high89Confident3 Ų355 Ų552%0.02130%0.295CS..Hα-helixtrans-55.6-50.4178.4-169.30000111.6G105 V106 L111 H112 A113 N229 T230G105-S109 PolarHBondContact O-N 3.03Å; G105-S109 VanDerWaalsContact O-N 3.16Å; V106-S109 WeakPolarHBondContact O-CB 3.49Å; V106-S109 PolarHBondContact O-N 2.87Å; S109-L111 PolarHBondContact O-N 3.25Å; S109-H112 PolarHBondContact O-N 2.98Å; S109-A113 PolarHBondContact O-N 3.33Å; S109-N229 WeakPolarHBondContact CB-OD1 3.47Å; S109-N229 WeakPolarHBondContact OG-CA 3.44Å; S109-N229 PolarHBondContact OG-OD1 2.66Å; S109-T230 PolarHBondContact OG-N 2.87Å; S109-T230 PolarHBondContact OG-OG1 3.44Å
110A94.5Very high87.5Confident0 Ų054.2 Ų54.20%029%0.288CS..Hα-helixtrans-62.3-43.4178.600000113.2V106 I107 R108 H112 A113 L114 F225 F228V106-A110 PolarHBondContact O-N 3.43Å; I107-A110 PolarHBondContact O-N 2.82Å; R108-A110 VanDerWaalsContact C-N 3.35Å; R108-A110 PolarHBondContact O-N 2.86Å; A110-H112 VanDerWaalsContact C-N 3.32Å; A110-H112 PolarHBondContact O-N 2.74Å; A110-A113 PolarHBondContact O-N 3.49Å; A110-L114 PolarHBondContact O-N 3.09Å; A110-F225 HydrophobicContact CB-CD2 4.05Å; A110-F225 HydrophobicContact CB-CE1 4.02Å; A110-F225 HydrophobicContact CB-CE2 3.47Å; A110-F225 VanDerWaalsContact CB-CE2 3.47Å; A110-F225 HydrophobicContact CB-CZ 3.44Å; A110-F225 VanDerWaalsContact CB-CZ 3.44Å; A110-F225 VanDerWaalsContact CB-O 3.28Å; A110-F225 WeakPolarHBondContact CB-O 3.44Å; A110-F228 HydrophobicContact CB-CB 4.14Å
111L93Very high86.3Confident0 Ų063.2 Ų63.20%033%0.33CS..Hα-helixtrans-61.1-39.8175.6-75.5174.3000112.2I107 R108 S109 L114 K115 V125 A141 Y147 I172 F174 F225I107-L111 HydrophobicContact CG2-CD1 4.01Å; I107-L111 HydrophobicContact CG2-CG 4.25Å; I107-L111 WeakPolarHBondContact O-CB 3.36Å; I107-L111 WeakPolarHBondContact O-CG 3.41Å; I107-L111 PolarHBondContact O-N 3.33Å; R108-L111 PolarHBondContact O-N 3.26Å; S109-L111 PolarHBondContact O-N 3.25Å; L111-L114 PolarHBondContact O-N 3.27Å; L111-K115 PolarHBondContact O-N 2.7Å; L111-K115 VanDerWaalsContact O-N 3.09Å; L111-V125 HydrophobicContact CD2-CG2 4.37Å; L111-A141 HydrophobicContact CD1-CB 4.45Å; L111-Y147 HydrophobicContact CB-CE2 4.12Å; L111-Y147 HydrophobicContact CD1-CD2 4.41Å; L111-I172 HydrophobicContact CD2-CD1 4.12Å; L111-I172 HydrophobicContact CD2-CG2 4.37Å; L111-F174 HydrophobicContact CD2-CE2 4.02Å; L111-F174 HydrophobicContact CD2-CZ 4.14Å; L111-F225 HydrophobicContact CD2-CE2 4.17Å; L111-F225 HydrophobicContact CD2-CZ 4.05Å; L111-F225 HydrophobicContact CG-CE2 4.41Å; L111-F225 HydrophobicContact CG-CZ 3.98Å
112H90.1Very high85.7Confident84 Ų8462.7 Ų62.739%0.38933%0.327SS..Hα-helixtrans-70.6-35.3178.9-166.779.3000112.4R108 S109 A110 L114 K115 Y147 I234R108-H112 PolarHBondContact O-N 2.94Å; S109-H112 PolarHBondContact O-N 2.98Å; A110-H112 VanDerWaalsContact C-N 3.32Å; A110-H112 PolarHBondContact O-N 2.74Å; H112-L114 VanDerWaalsContact C-N 3.28Å; H112-L114 PolarHBondContact O-N 3.13Å; H112-K115 WeakPolarHBondContact O-CB 3.32Å; H112-K115 PolarHBondContact O-N 3.14Å; H112-Y147 PolarHBondContact ND1-OH 3.39Å; H112-I234 HydrophobicContact CB-CD1 3.39Å; H112-I234 HydrophobicContact CB-CG1 4.01Å
113A90.5Very high85.6Confident49 Ų4958.6 Ų58.641%0.40531%0.305SS..Hα-helixtrans-64.9-32.617500000112.7S109 A110 F228S109-A113 PolarHBondContact O-N 3.33Å; A110-A113 PolarHBondContact O-N 3.49Å; A113-F228 HydrophobicContact CB-CB 4.07Å; A113-F228 WeakPolarHBondContact CB-O 3.47Å
114L89.6Confident85.5Confident13 Ų1355 Ų557%0.06829%0.29CS..Hα-helixtrans-86-9.7175.1-66.4-176.3000114A110 L111 H112 D116 I172 H194 F225 F228A110-L114 PolarHBondContact O-N 3.09Å; L111-L114 PolarHBondContact O-N 3.27Å; H112-L114 VanDerWaalsContact C-N 3.28Å; H112-L114 PolarHBondContact O-N 3.13Å; L114-D116 PolarHBondContact O-N 3.29Å; L114-I172 HydrophobicContact CB-CD1 3.78Å; L114-H194 HydrophobicContact CD1-CB 4.49Å; L114-F225 HydrophobicContact CD1-CD2 3.77Å; L114-F225 HydrophobicContact CD1-CE2 3.99Å; L114-F228 HydrophobicContact CD1-CD2 4.38Å; L114-F228 HydrophobicContact CD2-CD1 3.99Å; L114-F228 HydrophobicContact CD2-CD2 4.08Å; L114-F228 HydrophobicContact CD2-CE1 3.93Å; L114-F228 HydrophobicContact CD2-CE2 4.03Å; L114-F228 HydrophobicContact CD2-CG 4.07Å; L114-F228 HydrophobicContact CD2-CZ 3.95Å; L114-F228 HydrophobicContact CG-CD2 4.34Å; L114-F228 HydrophobicContact CG-CG 4.33Å
115K85.7Confident85.7Confident63 Ų6354.9 Ų54.927%0.27429%0.289SS..SBendtrans-73.1121.6175.3172.7171.1178.7-172.20108.7L111 H112 Y120 F123 Y147L111-K115 PolarHBondContact O-N 2.7Å; L111-K115 VanDerWaalsContact O-N 3.09Å; H112-K115 WeakPolarHBondContact O-CB 3.32Å; H112-K115 PolarHBondContact O-N 3.14Å; K115-Y120 HydrophobicContact CG-CE2 4.5Å; K115-F123 HydrophobicContact CB-CE2 3.85Å; K115-F123 HydrophobicContact CB-CZ 3.82Å; K115-F123 HydrophobicContact CD-CD2 3.82Å; K115-F123 HydrophobicContact CD-CE2 3.9Å; K115-F123 HydrophobicContact CD-CG 4.2Å; K115-F123 HydrophobicContact CD-CZ 4.34Å; K115-F123 HydrophobicContact CG-CD2 3.91Å; K115-F123 HydrophobicContact CG-CE2 3.51Å; K115-F123 HydrophobicContact CG-CZ 4Å; K115-Y147 HydrophobicContact CD-CE1 4.35Å; K115-Y147 WeakPolarHBondContact CD-OH 3.35Å
116D76.2Confident85.9Confident58 Ų5853.1 Ų53.131%0.3127%0.271SS..  trans-64.7162.6171.177.422.4000111L114 G118 Y120L114-D116 PolarHBondContact O-N 3.29Å; D116-G118 PolarHBondContact O-N 3.44Å; D116-G118 WeakPolarHBondContact OD1-CA 3.32Å; D116-G118 PolarHBondContact OD1-N 3.07Å; D116-Y120 WeakPolarHBondContact OD1-CE2 3.22Å; D116-Y120 PolarHBondContact OD1-OH 3.43Å; D116-Y120 PolarHBondContact OD2-OH 3.04Å
117R67.1Low86Confident262 Ų26251 Ų5199%0.98926%0.258SS*.SBendtrans-75.313.9-178.3-63.2-171.6180-165.7-0.1113.6
118G67Low85.9Confident37 Ų3751.2 Ų51.238%0.38126%0.26SS..  trans-63.5150.8177.900000112.6D116 Y120D116-G118 PolarHBondContact O-N 3.44Å; D116-G118 WeakPolarHBondContact OD1-CA 3.32Å; D116-G118 PolarHBondContact OD1-N 3.07Å; G118-Y120 WeakPolarHBondContact O-CD2 3.34Å; G118-Y120 WeakPolarHBondContact O-CE2 3.21Å; G118-Y120 PolarHBondContact O-N 3.1Å
119S65.6Low85.8Confident134 Ų13449.2 Ų49.294%0.93725%0.253SS*.  trans-83.1110.8168.2-173.50000108.7
120Y68.6Low85.6Confident72 Ų7253.9 Ų53.928%0.28227%0.273SS..  trans-105.4131177.6-63.6-87.8000109.7K115 D116 G118 N122 F123K115-Y120 HydrophobicContact CG-CE2 4.5Å; D116-Y120 WeakPolarHBondContact OD1-CE2 3.22Å; D116-Y120 PolarHBondContact OD1-OH 3.43Å; D116-Y120 PolarHBondContact OD2-OH 3.04Å; G118-Y120 WeakPolarHBondContact O-CD2 3.34Å; G118-Y120 WeakPolarHBondContact O-CE2 3.21Å; G118-Y120 PolarHBondContact O-N 3.1Å; Y120-N122 VanDerWaalsContact C-N 3.3Å; Y120-F123 HydrophobicContact CD1-CD2 4.34Å; Y120-F123 AromaticContact CD2-CD2 3.9Å; Y120-F123 HydrophobicContact CD2-CD2 3.9Å; Y120-F123 HydrophobicContact CE1-CD2 4.39Å; Y120-F123 AromaticContact CE2-CD2 3.97Å; Y120-F123 HydrophobicContact CE2-CD2 3.97Å; Y120-F123 HydrophobicContact CE2-CE2 4.22Å; Y120-F123 HydrophobicContact CG-CD2 4.08Å
121E71.8Confident85.6Confident188 Ų18855.3 Ų55.388%0.87928%0.281SS*.SBendtrans-64.6-41166-171.4-177.8177.800110.3
122N84.8Confident85.7Confident42 Ų4256 Ų5623%0.22529%0.285CS..SBendtrans-139.7129.7171-70.1-77.4000109Y120 F124Y120-N122 VanDerWaalsContact C-N 3.3Å; N122-F124 HydrophobicContact CB-CD2 4.31Å; N122-F124 HydrophobicContact CB-CE1 4.18Å; N122-F124 HydrophobicContact CB-CE2 3.61Å; N122-F124 HydrophobicContact CB-CZ 3.54Å
123F92.3Very high86Confident7 Ų752.1 Ų52.13%0.03127%0.268CS..  trans-90114.8171.7-171-96.5000109.1K115 Y120 V125 Y147 T148 P171 I172K115-F123 HydrophobicContact CB-CE2 3.85Å; K115-F123 HydrophobicContact CB-CZ 3.82Å; K115-F123 HydrophobicContact CD-CD2 3.82Å; K115-F123 HydrophobicContact CD-CE2 3.9Å; K115-F123 HydrophobicContact CD-CG 4.2Å; K115-F123 HydrophobicContact CD-CZ 4.34Å; K115-F123 HydrophobicContact CG-CD2 3.91Å; K115-F123 HydrophobicContact CG-CE2 3.51Å; K115-F123 HydrophobicContact CG-CZ 4Å; Y120-F123 HydrophobicContact CD1-CD2 4.34Å; Y120-F123 AromaticContact CD2-CD2 3.9Å; Y120-F123 HydrophobicContact CD2-CD2 3.9Å; Y120-F123 HydrophobicContact CE1-CD2 4.39Å; Y120-F123 AromaticContact CE2-CD2 3.97Å; Y120-F123 HydrophobicContact CE2-CD2 3.97Å; Y120-F123 HydrophobicContact CE2-CE2 4.22Å; Y120-F123 HydrophobicContact CG-CD2 4.08Å; F123-V125 HydrophobicContact CD1-CG2 4.14Å; F123-V125 HydrophobicContact CE1-CG2 3.92Å; F123-Y147 HydrophobicContact CB-CD1 3.75Å; F123-Y147 HydrophobicContact CB-CE1 4.13Å; F123-Y147 HydrophobicContact CB-CG 4.19Å; F123-Y147 AromaticContact CD1-CD1 3.87Å; F123-Y147 HydrophobicContact CD1-CD1 3.87Å; F123-Y147 AromaticContact CD1-CD2 3.56Å; F123-Y147 HydrophobicContact CD1-CD2 3.56Å; F123-Y147 HydrophobicContact CD1-CE1 4.1Å; F123-Y147 AromaticContact CD1-CE2 3.8Å; F123-Y147 HydrophobicContact CD1-CE2 3.8Å; F123-Y147 AromaticContact CD1-CG 3.61Å; F123-Y147 HydrophobicContact CD1-CG 3.61Å; F123-Y147 HydrophobicContact CE1-CD2 4.01Å; F123-Y147 AromaticContact CE1-CE2 4Å; F123-Y147 HydrophobicContact CE1-CE2 4Å; F123-Y147 HydrophobicContact CE1-CG 4.49Å; F123-Y147 HydrophobicContact CG-CD1 4.16Å; F123-Y147 HydrophobicContact CG-CE1 4.29Å; F123-Y147 HydrophobicContact CG-CG 4.32Å; F123-Y147 WeakPolarHBondContact O-CA 3.31Å; F123-T148 PolarHBondContact O-N 3.46Å; F123-P171 HydrophobicContact CD2-CG 4.23Å; F123-P171 HydrophobicContact CE2-CG 3.46Å; F123-P171 VanDerWaalsContact CE2-CG 3.46Å; F123-P171 HydrophobicContact CZ-CG 3.66Å; F123-I172 HydrophobicContact CE1-CD1 4.21Å; F123-I172 HydrophobicContact CZ-CD1 3.88Å; F123-I172 HydrophobicContact CZ-CG1 4.32Å
124F95.4Very high86.3Confident8 Ų850.9 Ų50.94%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-97.3138.8-175.3-67.8-74.6000112.3N122 T148 V150 T168 L170 P171 V247 Y495N122-F124 HydrophobicContact CB-CD2 4.31Å; N122-F124 HydrophobicContact CB-CE1 4.18Å; N122-F124 HydrophobicContact CB-CE2 3.61Å; N122-F124 HydrophobicContact CB-CZ 3.54Å; F124-T148 CarbonylContact C-O 3.57Å; F124-T148 VanDerWaalsContact CA-O 3.29Å; F124-T148 WeakPolarHBondContact CA-O 3.41Å; F124-T148 HydrophobicContact CD1-CG2 3.73Å; F124-T148 HydrophobicContact CE1-CG2 3.54Å; F124-V150 HydrophobicContact CB-CG2 3.95Å; F124-V150 HydrophobicContact CD1-CG2 3.52Å; F124-V150 HydrophobicContact CE1-CG2 4.39Å; F124-V150 HydrophobicContact CG-CG2 4.05Å; F124-T168 WeakPolarHBondContact CD2-O 3.16Å; F124-L170 HydrophobicContact CB-CB 3.62Å; F124-P171 WeakPolarHBondContact O-CD 3.3Å; F124-V247 HydrophobicContact CD1-CG2 4.48Å; F124-V247 HydrophobicContact CE1-CG2 3.71Å; F124-V247 HydrophobicContact CZ-CG2 4.49Å; F124-Y495 HydrophobicContact CE1-CE2 4.46Å; F124-Y495 HydrophobicContact CE2-CE2 4.24Å; F124-Y495 AromaticContact CE2-CZ 3.8Å; F124-Y495 WeakPolarHBondContact CE2-OH 3.24Å; F124-Y495 HydrophobicContact CZ-CD2 4.43Å; F124-Y495 HydrophobicContact CZ-CE1 4.4Å; F124-Y495 AromaticContact CZ-CE2 3.57Å; F124-Y495 HydrophobicContact CZ-CE2 3.57Å; F124-Y495 AromaticContact CZ-CZ 3.55Å; F124-Y495 WeakPolarHBondContact CZ-OH 3.28Å
125V97.3Very high86.6Confident0 Ų050.3 Ų50.30%025%0.251CS..EExtended strand (participates in β ladder)trans-123.1115.7172.2179.80000109L111 F123 V138 T148 I149 V150 F174L111-V125 HydrophobicContact CD2-CG2 4.37Å; F123-V125 HydrophobicContact CD1-CG2 4.14Å; F123-V125 HydrophobicContact CE1-CG2 3.92Å; V125-V138 HydrophobicContact CG1-CG1 4.38Å; V125-T148 PolarHBondContact N-O 3.07Å; V125-I149 CarbonylContact O-C 3.52Å; V125-I149 WeakPolarHBondContact O-CA 3.36Å; V125-V150 PolarHBondContact O-N 3.01Å; V125-F174 HydrophobicContact CG1-CD2 3.77Å; V125-F174 HydrophobicContact CG1-CE2 3.67Å
126G97.8Very high87.2Confident0 Ų047.3 Ų47.30%024%0.238CC..EExtended strand (participates in β ladder)trans-76.9142.9177.200000111.9V150 I172 M173 F174G126-V150 WeakPolarHBondContact CA-O 3.25Å; G126-I172 PolarHBondContact N-O 3.27Å; G126-M173 CarbonylContact O-C 3.6Å; G126-M173 VanDerWaalsContact O-CA 3.31Å; G126-M173 WeakPolarHBondContact O-CA 3.26Å; G126-F174 PolarHBondContact O-N 2.97Å
127I97.4Very high88.3Confident0 Ų044.8 Ų44.80%022%0.224CC..EExtended strand (participates in β ladder)trans-135.3110.3172.5-50.1177.3000108.7W135 V138 I149 V150 P151 L152 F174 F198I127-W135 HydrophobicContact CB-CD2 4.49Å; I127-W135 HydrophobicContact CB-CH2 4.42Å; I127-W135 HydrophobicContact CB-CZ2 4.37Å; I127-W135 HydrophobicContact CB-CZ3 4.49Å; I127-W135 HydrophobicContact CD1-CG 4.49Å; I127-W135 HydrophobicContact CG2-CD2 3.57Å; I127-W135 HydrophobicContact CG2-CE3 3.47Å; I127-W135 VanDerWaalsContact CG2-CE3 3.47Å; I127-W135 HydrophobicContact CG2-CG 4.17Å; I127-W135 HydrophobicContact CG2-CH2 4.06Å; I127-W135 HydrophobicContact CG2-CZ2 4.19Å; I127-W135 HydrophobicContact CG2-CZ3 3.67Å; I127-V138 HydrophobicContact CD1-CB 4.5Å; I127-V138 HydrophobicContact CD1-CG1 3.97Å; I127-I149 HydrophobicContact CD1-CG2 4.2Å; I127-V150 PolarHBondContact N-O 3.11Å; I127-P151 WeakPolarHBondContact O-CA 3.35Å; I127-L152 PolarHBondContact O-N 2.76Å; I127-F174 HydrophobicContact CG2-CB 4.32Å; I127-F198 HydrophobicContact CG2-CE2 3.98Å; I127-F198 HydrophobicContact CG2-CZ 4.34Å
128S93.6Very high89.7Confident6 Ų632.3 Ų32.34%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-116.987.3177.3-177.90000109.3F174 C175 D176S128-F174 PolarHBondContact N-O 3.06Å; S128-C175 WeakPolarHBondContact O-CA 3.35Å; S128-D176 PolarHBondContact O-N 2.87Å
129S91Very high91.2Very high7 Ų730.6 Ų30.65%0.04916%0.159CC..SBendtrans-152.2164.7-168.7173.70000111.3W135 F198S129-W135 WeakPolarHBondContact O-CZ3 3.41Å; S129-F198 WeakPolarHBondContact OG-CD2 3.47Å
130K89.1Confident92.7Very high102 Ų10224.2 Ų24.244%0.44311%0.114SC..  trans-72.1165.6155.7-69169.1-172.9165.30110.8S132 D176K130-S132 PolarHBondContact O-N 3.32Å; K130-D176 PolarHBondContact N-OD2 3.46Å
131N94.2Very high94Very high30 Ų3020.8 Ų20.816%0.1610%0.101CC..  trans-62.5133.9176.3-58.88.1000110.7S291 L293 P294 L295 F316N131-S291 PolarHBondContact ND2-OG 2.85Å; N131-L293 PolarHBondContact ND2-O 3.46Å; N131-P294 WeakPolarHBondContact OD1-CA 3.34Å; N131-L295 HydrophobicContact CB-CD1 3.9Å; N131-L295 HydrophobicContact CB-CG 4.2Å; N131-L295 PolarHBondContact OD1-N 3.28Å; N131-F316 HydrophobicContact CB-CD1 3.72Å; N131-F316 HydrophobicContact CB-CE1 4.06Å
132S94.5Very high95.1Very high13 Ų1311.8 Ų11.89%0.0916%0.059CC..  trans-151.6160.6179.168.70000110.8K130 Q134 W135 F316K130-S132 PolarHBondContact O-N 3.32Å; S132-Q134 PolarHBondContact O-N 3.23Å; S132-Q134 PolarHBondContact OG-N 2.95Å; S132-W135 WeakPolarHBondContact O-CB 3.35Å; S132-W135 PolarHBondContact O-N 2.7Å; S132-W135 PolarHBondContact OG-N 3Å; S132-W135 VanDerWaalsContact OG-N 3.08Å; S132-F316 WeakPolarHBondContact O-CE1 3.48Å; S132-F316 WeakPolarHBondContact O-CZ 3.4Å
133P96.6Very high95.6Very high4 Ų49.9 Ų9.93%0.0265%0.049CC..Hα-helixtrans-54.4-38.8169.1-24.833.1000112.5L82 W84 W135 I136 M137 F316L82-P133 HydrophobicContact CB-CB 4.02Å; L82-P133 HydrophobicContact CD1-CB 4.16Å; W84-P133 HydrophobicContact CB-CG 4.05Å; W84-P133 HydrophobicContact CD2-CG 4.15Å; W84-P133 HydrophobicContact CE3-CB 4.36Å; W84-P133 HydrophobicContact CE3-CG 3.68Å; W84-P133 HydrophobicContact CG-CG 4.32Å; W84-P133 HydrophobicContact CZ3-CG 4.46Å; P133-W135 VanDerWaalsContact C-N 3.34Å; P133-W135 PolarHBondContact O-N 3.11Å; P133-I136 PolarHBondContact O-N 3.49Å; P133-M137 HydrophobicContact CB-CE 4.47Å; P133-M137 WeakPolarHBondContact O-CG 3.41Å; P133-M137 PolarHBondContact O-N 3.35Å; P133-M137 VanDerWaalsContact O-N 3.11Å; P133-F316 HydrophobicContact CB-CE2 4.25Å; P133-F316 HydrophobicContact CG-CD2 3.66Å; P133-F316 HydrophobicContact CG-CE2 3.89Å; P133-F316 HydrophobicContact CG-CG 4.46Å
134Q96.5Very high95.6Very high23 Ų2311.1 Ų11.111%0.1075%0.054CC..Hα-helixtrans-66.6-35.8-177.4-64.479.20.100112.1S132 M137 V138 F198 P199 Y222S132-Q134 PolarHBondContact O-N 3.23Å; S132-Q134 PolarHBondContact OG-N 2.95Å; Q134-M137 HydrophobicContact CB-CE 4.29Å; Q134-M137 HydrophobicContact CG-CE 3.94Å; Q134-M137 PolarHBondContact O-N 3.37Å; Q134-V138 WeakPolarHBondContact O-CG2 3.49Å; Q134-V138 PolarHBondContact O-N 2.64Å; Q134-F198 HydrophobicContact CB-CD1 3.35Å; Q134-F198 HydrophobicContact CB-CE1 3.39Å; Q134-F198 HydrophobicContact CB-CG 4.21Å; Q134-F198 HydrophobicContact CB-CZ 4.25Å; Q134-F198 HydrophobicContact CG-CD1 4.13Å; Q134-P199 HydrophobicContact CG-CG 4.05Å; Q134-Y222 HydrophobicContact CB-CE2 4.42Å; Q134-Y222 HydrophobicContact CG-CE1 4.15Å
135W97.1Very high95.4Very high1 Ų111 Ų110%0.0045%0.054CC..Hα-helixtrans-54.7-55.3171.8-176.8-47.9000110.6I127 S129 S132 P133 M137 V138 E139 P151 L295 A296I127-W135 HydrophobicContact CB-CD2 4.49Å; I127-W135 HydrophobicContact CB-CH2 4.42Å; I127-W135 HydrophobicContact CB-CZ2 4.37Å; I127-W135 HydrophobicContact CB-CZ3 4.49Å; I127-W135 HydrophobicContact CD1-CG 4.49Å; I127-W135 HydrophobicContact CG2-CD2 3.57Å; I127-W135 HydrophobicContact CG2-CE3 3.47Å; I127-W135 VanDerWaalsContact CG2-CE3 3.47Å; I127-W135 HydrophobicContact CG2-CG 4.17Å; I127-W135 HydrophobicContact CG2-CH2 4.06Å; I127-W135 HydrophobicContact CG2-CZ2 4.19Å; I127-W135 HydrophobicContact CG2-CZ3 3.67Å; S129-W135 WeakPolarHBondContact O-CZ3 3.41Å; S132-W135 WeakPolarHBondContact O-CB 3.35Å; S132-W135 PolarHBondContact O-N 2.7Å; S132-W135 PolarHBondContact OG-N 3Å; S132-W135 VanDerWaalsContact OG-N 3.08Å; P133-W135 VanDerWaalsContact C-N 3.34Å; P133-W135 PolarHBondContact O-N 3.11Å; W135-M137 VanDerWaalsContact C-N 3.25Å; W135-M137 PolarHBondContact O-N 2.95Å; W135-V138 PolarHBondContact O-N 3.38Å; W135-V138 VanDerWaalsContact O-N 3.15Å; W135-E139 PolarHBondContact NE1-OE2 3.31Å; W135-E139 WeakPolarHBondContact O-CB 3.34Å; W135-E139 PolarHBondContact O-N 2.96Å; W135-P151 HydrophobicContact CH2-CB 3.9Å; W135-P151 HydrophobicContact CZ2-CB 3.43Å; W135-P151 VanDerWaalsContact CZ2-CB 3.43Å; W135-L295 HydrophobicContact CB-CD1 3.95Å; W135-L295 HydrophobicContact CD2-CB 3.88Å; W135-L295 HydrophobicContact CD2-CD1 3.8Å; W135-L295 VanDerWaalsContact CE2-CB 3.47Å; W135-L295 HydrophobicContact CE3-CB 4.31Å; W135-L295 HydrophobicContact CE3-CD1 4.42Å; W135-L295 HydrophobicContact CG-CB 4.43Å; W135-L295 HydrophobicContact CG-CD1 3.57Å; W135-L295 HydrophobicContact CH2-CB 4.06Å; W135-L295 HydrophobicContact CZ2-CB 3.53Å; W135-L295 HydrophobicContact CZ3-CB 4.43Å; W135-A296 HydrophobicContact CH2-CB 4.19Å
136I98.1Very high95.1Very high0 Ų012.5 Ų12.50%07%0.07CC..Hα-helixtrans-59-40.1-178.5-64.6-61.8000110.9L82 P133 E139 L140 L295 L308 F316L82-I136 HydrophobicContact CD1-CB 4.01Å; L82-I136 HydrophobicContact CD1-CG2 3.98Å; L82-I136 HydrophobicContact CD2-CB 4.43Å; L82-I136 HydrophobicContact CD2-CG2 4.15Å; P133-I136 PolarHBondContact O-N 3.49Å; I136-E139 PolarHBondContact O-N 3.06Å; I136-L140 HydrophobicContact CG2-CD1 3.86Å; I136-L140 HydrophobicContact CG2-CG 4.32Å; I136-L140 WeakPolarHBondContact O-CB 3.46Å; I136-L140 VanDerWaalsContact O-CG 3.26Å; I136-L140 WeakPolarHBondContact O-CG 3.48Å; I136-L140 PolarHBondContact O-N 3.38Å; I136-L295 HydrophobicContact CD1-CD1 3.93Å; I136-L295 HydrophobicContact CD1-CD2 3.74Å; I136-L295 HydrophobicContact CG1-CD1 4.27Å; I136-L308 HydrophobicContact CG2-CD1 4.03Å; I136-F316 HydrophobicContact CG1-CE1 4.42Å; I136-F316 HydrophobicContact CG1-CZ 3.85Å
137M98Very high94.9Very high5 Ų512.9 Ų12.93%0.0257%0.071CC..Hα-helixtrans-65.3-40.6177.8-67-173.9-67.600112.8L82 I95 V100 K103 I107 P133 Q134 W135 A141L82-M137 HydrophobicContact CD1-CG 4.06Å; I95-M137 HydrophobicContact CD1-CE 4.31Å; I95-M137 HydrophobicContact CD1-SD 3.85Å; V100-M137 HydrophobicContact CG1-CG 4.19Å; K103-M137 HydrophobicContact CB-SD 3.79Å; K103-M137 HydrophobicContact CD-CE 4.08Å; K103-M137 HydrophobicContact CD-SD 3.48Å; K103-M137 WeakPolarHBondContact CD-SD 3.04Å; K103-M137 HydrophobicContact CG-SD 4.27Å; I107-M137 HydrophobicContact CD1-CB 3.6Å; P133-M137 HydrophobicContact CB-CE 4.47Å; P133-M137 WeakPolarHBondContact O-CG 3.41Å; P133-M137 PolarHBondContact O-N 3.35Å; P133-M137 VanDerWaalsContact O-N 3.11Å; Q134-M137 HydrophobicContact CB-CE 4.29Å; Q134-M137 HydrophobicContact CG-CE 3.94Å; Q134-M137 PolarHBondContact O-N 3.37Å; W135-M137 VanDerWaalsContact C-N 3.25Å; W135-M137 PolarHBondContact O-N 2.95Å; M137-A141 VanDerWaalsContact O-CB 3.3Å; M137-A141 WeakPolarHBondContact O-CB 3.1Å; M137-A141 PolarHBondContact O-N 3.25Å
138V97.8Very high94.8Very high0 Ų012.9 Ų12.90%07%0.071CC..Hα-helixtrans-66.5-44.1175.1170.50000111I107 V125 I127 Q134 W135 L140 A141 C142 F174 F198 Y222I107-V138 HydrophobicContact CG2-CG2 4.18Å; V125-V138 HydrophobicContact CG1-CG1 4.38Å; I127-V138 HydrophobicContact CD1-CB 4.5Å; I127-V138 HydrophobicContact CD1-CG1 3.97Å; Q134-V138 WeakPolarHBondContact O-CG2 3.49Å; Q134-V138 PolarHBondContact O-N 2.64Å; W135-V138 PolarHBondContact O-N 3.38Å; W135-V138 VanDerWaalsContact O-N 3.15Å; V138-L140 PolarHBondContact O-N 2.75Å; V138-A141 WeakPolarHBondContact O-CB 3.36Å; V138-A141 PolarHBondContact O-N 2.87Å; V138-C142 PolarHBondContact O-N 3.1Å; V138-C142 PolarHBondContact O-SG 3.33Å; V138-C142 VanDerWaalsContact O-SG 3.34Å; V138-F174 HydrophobicContact CG1-CD2 3.9Å; V138-F174 HydrophobicContact CG1-CE2 3.7Å; V138-F174 HydrophobicContact CG1-CG 4.44Å; V138-F174 HydrophobicContact CG1-CZ 4.06Å; V138-F174 HydrophobicContact CG2-CD1 4.1Å; V138-F174 HydrophobicContact CG2-CE1 3.76Å; V138-F174 HydrophobicContact CG2-CE2 4.34Å; V138-F174 HydrophobicContact CG2-CZ 3.9Å; V138-F198 HydrophobicContact CG2-CE1 3.91Å; V138-F198 HydrophobicContact CG2-CZ 4.18Å; V138-Y222 HydrophobicContact CG2-CE2 4.33Å
139E97.9Very high95Very high0 Ų012.6 Ų12.60%07%0.07CC..Hα-helixtrans-59.9-45.6177.8176.3178.4112.900112.5W135 I136 C142 T143 I149 F245 Q301W135-E139 PolarHBondContact NE1-OE2 3.31Å; W135-E139 WeakPolarHBondContact O-CB 3.34Å; W135-E139 PolarHBondContact O-N 2.96Å; I136-E139 PolarHBondContact O-N 3.06Å; E139-C142 PolarHBondContact O-N 3.31Å; E139-T143 WeakPolarHBondContact O-CB 3.19Å; E139-T143 PolarHBondContact O-N 3.03Å; E139-T143 PolarHBondContact O-OG1 3.4Å; E139-I149 HydrophobicContact CB-CD1 4.42Å; E139-I149 HydrophobicContact CB-CG2 4.49Å; E139-I149 HydrophobicContact CG-CD1 3.72Å; E139-I149 HydrophobicContact CG-CG1 4.48Å; E139-I149 HydrophobicContact CG-CG2 4.5Å; E139-I149 WeakPolarHBondContact OE2-CD1 3.49Å; E139-F245 HydrophobicContact CG-CE2 4.06Å; E139-F245 HydrophobicContact CG-CZ 4.05Å; E139-Q301 PolarHBondContact OE1-OE1 3.24Å; E139-Q301 VanDerWaalsContact OE1-OE1 3.1Å; E139-Q301 PolarHBondContact OE2-NE2 3.4Å; E139-Q301 PolarHBondContact OE2-OE1 2.71Å
140L97.1Very high95.4Very high0 Ų012.3 Ų12.30%07%0.067CC..Hα-helixtrans-65.8-41.1174.8-67.9173.5000111F69 V100 I104 I136 V138 C142 T143 F144 L308F69-L140 HydrophobicContact CB-CD1 4.41Å; F69-L140 HydrophobicContact CB-CD2 3.85Å; F69-L140 HydrophobicContact CD1-CD1 4.44Å; F69-L140 HydrophobicContact CD2-CD1 3.63Å; F69-L140 HydrophobicContact CE2-CD1 3.95Å; F69-L140 HydrophobicContact CG-CD1 3.9Å; F69-L140 HydrophobicContact CG-CD2 4.22Å; F69-L140 HydrophobicContact CZ-CD1 4.49Å; V100-L140 HydrophobicContact CG1-CD1 4.46Å; I104-L140 HydrophobicContact CD1-CB 3.54Å; I104-L140 HydrophobicContact CD1-CD1 3.74Å; I104-L140 HydrophobicContact CD1-CG 4.29Å; I104-L140 HydrophobicContact CG1-CB 3.98Å; I136-L140 HydrophobicContact CG2-CD1 3.86Å; I136-L140 HydrophobicContact CG2-CG 4.32Å; I136-L140 WeakPolarHBondContact O-CB 3.46Å; I136-L140 VanDerWaalsContact O-CG 3.26Å; I136-L140 WeakPolarHBondContact O-CG 3.48Å; I136-L140 PolarHBondContact O-N 3.38Å; V138-L140 PolarHBondContact O-N 2.75Å; L140-C142 VanDerWaalsContact C-N 3.34Å; L140-C142 PolarHBondContact O-N 3.04Å; L140-T143 WeakPolarHBondContact O-CB 3.34Å; L140-T143 PolarHBondContact O-N 3.22Å; L140-F144 WeakPolarHBondContact O-CD2 3.25Å; L140-F144 PolarHBondContact O-N 3.31Å; L140-L308 HydrophobicContact CD1-CD1 4.19Å
141A95.7Very high95.7Very high0 Ų07.5 Ų7.50%05%0.046CC..Hα-helixtrans-59.8-42174.800000113I104 I107 R108 L111 M137 V138 S145I104-A141 HydrophobicContact CG2-CB 4.27Å; I107-A141 HydrophobicContact CB-CB 3.79Å; I107-A141 HydrophobicContact CG2-CB 3.46Å; I107-A141 VanDerWaalsContact CG2-CB 3.46Å; R108-A141 HydrophobicContact CG-CB 3.74Å; R108-A141 WeakPolarHBondContact CG-O 3.47Å; L111-A141 HydrophobicContact CD1-CB 4.45Å; M137-A141 VanDerWaalsContact O-CB 3.3Å; M137-A141 WeakPolarHBondContact O-CB 3.1Å; M137-A141 PolarHBondContact O-N 3.25Å; V138-A141 WeakPolarHBondContact O-CB 3.36Å; V138-A141 PolarHBondContact O-N 2.87Å; A141-S145 WeakPolarHBondContact O-CB 3.33Å; A141-S145 PolarHBondContact O-N 3.01Å; A141-S145 VanDerWaalsContact O-N 3.13Å; A141-S145 PolarHBondContact O-OG 2.92Å
142C95.2Very high95.7Very high0 Ų06.1 Ų6.10%04%0.039CC..Hα-helixtrans-60.3-48.4172.3-71.40000111.2V138 E139 L140 F144 S145 G146 Y147 I149V138-C142 PolarHBondContact O-N 3.1Å; V138-C142 PolarHBondContact O-SG 3.33Å; V138-C142 VanDerWaalsContact O-SG 3.34Å; E139-C142 PolarHBondContact O-N 3.31Å; L140-C142 VanDerWaalsContact C-N 3.34Å; L140-C142 PolarHBondContact O-N 3.04Å; C142-F144 PolarHBondContact O-N 3.11Å; C142-S145 CarbonylContact O-C 3.46Å; C142-S145 WeakPolarHBondContact O-CA 3.39Å; C142-S145 PolarHBondContact O-N 3.22Å; C142-G146 PolarHBondContact O-N 3.33Å; C142-G146 VanDerWaalsContact O-N 3.08Å; C142-Y147 CarbonylContact C-O 3.58Å; C142-Y147 PolarHBondContact O-N 2.94Å; C142-I149 HydrophobicContact CB-CG2 3.68Å
143T94.3Very high95.2Very high2 Ų26.6 Ų6.61%0.0124%0.039CC..Hα-helixtrans-55.7-49.8177.9-67.40000112V65 C66 E139 L140 S145 G146 F245V65-T143 HydrophobicContact CB-CG2 3.85Å; V65-T143 HydrophobicContact CG1-CG2 4.04Å; C66-T143 HydrophobicContact CB-CG2 4.34Å; C66-T143 WeakPolarHBondContact SG-CG2 3.43Å; E139-T143 WeakPolarHBondContact O-CB 3.19Å; E139-T143 PolarHBondContact O-N 3.03Å; E139-T143 PolarHBondContact O-OG1 3.4Å; L140-T143 WeakPolarHBondContact O-CB 3.34Å; L140-T143 PolarHBondContact O-N 3.22Å; T143-S145 PolarHBondContact O-N 2.96Å; T143-G146 PolarHBondContact O-N 3.37Å; T143-G146 VanDerWaalsContact O-N 3.16Å; T143-F245 WeakPolarHBondContact OG1-CE2 3.19Å
144F92.6Very high94.2Very high33 Ų3310 Ų1015%0.1456%0.057CC..Hα-helixtrans-67.3-13.3176.5-80.3-72.9000114.1C66 F69 L70 I104 R108 L140 C142 T236C66-F144 HydrophobicContact CB-CD1 4.09Å; C66-F144 HydrophobicContact CB-CE1 3.76Å; C66-F144 HydrophobicContact CB-CZ 4.18Å; F69-F144 AromaticContact CD1-CE2 3.78Å; F69-F144 HydrophobicContact CD1-CE2 3.78Å; F69-F144 AromaticContact CD1-CZ 3.95Å; F69-F144 HydrophobicContact CD1-CZ 3.95Å; F69-F144 HydrophobicContact CE1-CE2 4.47Å; L70-F144 HydrophobicContact CD1-CE1 4.11Å; L70-F144 HydrophobicContact CD1-CZ 4.43Å; L70-F144 HydrophobicContact CD2-CE1 4.12Å; L70-F144 HydrophobicContact CD2-CZ 3.9Å; L70-F144 HydrophobicContact CG-CE1 4.05Å; L70-F144 HydrophobicContact CG-CZ 3.87Å; I104-F144 HydrophobicContact CD1-CE2 4.44Å; I104-F144 HydrophobicContact CG2-CD2 3.78Å; I104-F144 HydrophobicContact CG2-CE2 4.41Å; I104-F144 HydrophobicContact CG2-CG 4.46Å; R108-F144 PolarHBondContact NH2-O 3.08Å; R108-F144 VanDerWaalsContact NH2-O 3.14Å; L140-F144 WeakPolarHBondContact O-CD2 3.25Å; L140-F144 PolarHBondContact O-N 3.31Å; C142-F144 PolarHBondContact O-N 3.11Å; F144-T236 PolarHBondContact O-OG1 3.28Å; F144-T236 VanDerWaalsContact O-OG1 3.07Å
145S91.2Very high93Very high5 Ų512 Ų124%0.0357%0.071CC..THydrogen-bonded Turntrans-101.1-2177.3-52.20000113.3R108 A141 C142 T143 Y147 T236R108-S145 WeakPolarHBondContact CG-OG 3.46Å; R108-S145 PolarHBondContact NE-OG 2.85Å; A141-S145 WeakPolarHBondContact O-CB 3.33Å; A141-S145 PolarHBondContact O-N 3.01Å; A141-S145 VanDerWaalsContact O-N 3.13Å; A141-S145 PolarHBondContact O-OG 2.92Å; C142-S145 CarbonylContact O-C 3.46Å; C142-S145 WeakPolarHBondContact O-CA 3.39Å; C142-S145 PolarHBondContact O-N 3.22Å; T143-S145 PolarHBondContact O-N 2.96Å; S145-Y147 VanDerWaalsContact O-CD1 3.29Å; S145-Y147 WeakPolarHBondContact O-CD1 3.4Å; S145-Y147 WeakPolarHBondContact O-CE1 3.31Å; S145-Y147 PolarHBondContact O-N 3.46Å; S145-T236 WeakPolarHBondContact CA-OG1 3.49Å; S145-T236 WeakPolarHBondContact O-CG2 3.05Å
146G90.8Very high92Very high32 Ų3213.8 Ų13.833%0.338%0.08SC..THydrogen-bonded Turntrans66.824.6-171.400000113.3C142 T143C142-G146 PolarHBondContact O-N 3.33Å; C142-G146 VanDerWaalsContact O-N 3.08Å; T143-G146 PolarHBondContact O-N 3.37Å; T143-G146 VanDerWaalsContact O-N 3.16Å
147Y93.7Very high91Very high7 Ų716 Ų163%0.02710%0.103CC..PPolyproline II helixtrans-95.3149.2176.9-57.6-14.5000110.4L111 H112 K115 F123 C142 S145L111-Y147 HydrophobicContact CB-CE2 4.12Å; L111-Y147 HydrophobicContact CD1-CD2 4.41Å; H112-Y147 PolarHBondContact ND1-OH 3.39Å; K115-Y147 HydrophobicContact CD-CE1 4.35Å; K115-Y147 WeakPolarHBondContact CD-OH 3.35Å; F123-Y147 HydrophobicContact CB-CD1 3.75Å; F123-Y147 HydrophobicContact CB-CE1 4.13Å; F123-Y147 HydrophobicContact CB-CG 4.19Å; F123-Y147 AromaticContact CD1-CD1 3.87Å; F123-Y147 HydrophobicContact CD1-CD1 3.87Å; F123-Y147 AromaticContact CD1-CD2 3.56Å; F123-Y147 HydrophobicContact CD1-CD2 3.56Å; F123-Y147 HydrophobicContact CD1-CE1 4.1Å; F123-Y147 AromaticContact CD1-CE2 3.8Å; F123-Y147 HydrophobicContact CD1-CE2 3.8Å; F123-Y147 AromaticContact CD1-CG 3.61Å; F123-Y147 HydrophobicContact CD1-CG 3.61Å; F123-Y147 HydrophobicContact CE1-CD2 4.01Å; F123-Y147 AromaticContact CE1-CE2 4Å; F123-Y147 HydrophobicContact CE1-CE2 4Å; F123-Y147 HydrophobicContact CE1-CG 4.49Å; F123-Y147 HydrophobicContact CG-CD1 4.16Å; F123-Y147 HydrophobicContact CG-CE1 4.29Å; F123-Y147 HydrophobicContact CG-CG 4.32Å; F123-Y147 WeakPolarHBondContact O-CA 3.31Å; C142-Y147 CarbonylContact C-O 3.58Å; C142-Y147 PolarHBondContact O-N 2.94Å; S145-Y147 VanDerWaalsContact O-CD1 3.29Å; S145-Y147 WeakPolarHBondContact O-CD1 3.4Å; S145-Y147 WeakPolarHBondContact O-CE1 3.31Å; S145-Y147 PolarHBondContact O-N 3.46Å
148T95.9Very high90.4Very high0 Ų020.1 Ų20.10%012%0.123CC..EExtended strand (participates in β ladder)trans-99.4125.3-177.9-58.50000110.2F123 F124 V125 L244 V247F123-T148 PolarHBondContact O-N 3.46Å; F124-T148 CarbonylContact C-O 3.57Å; F124-T148 VanDerWaalsContact CA-O 3.29Å; F124-T148 WeakPolarHBondContact CA-O 3.41Å; F124-T148 HydrophobicContact CD1-CG2 3.73Å; F124-T148 HydrophobicContact CE1-CG2 3.54Å; V125-T148 PolarHBondContact N-O 3.07Å; T148-L244 HydrophobicContact CG2-CB 3.78Å; T148-L244 WeakPolarHBondContact OG1-CB 3.36Å; T148-L244 PolarHBondContact OG1-O 2.91Å; T148-V247 HydrophobicContact CG2-CG2 4.09Å
149I98Very high89.8Confident1 Ų127.5 Ų27.51%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-79.5146173.358.2152.6000111.7V125 I127 E139 C142 P151 F245 M246 V247V125-I149 CarbonylContact O-C 3.52Å; V125-I149 WeakPolarHBondContact O-CA 3.36Å; I127-I149 HydrophobicContact CD1-CG2 4.2Å; E139-I149 HydrophobicContact CB-CD1 4.42Å; E139-I149 HydrophobicContact CB-CG2 4.49Å; E139-I149 HydrophobicContact CG-CD1 3.72Å; E139-I149 HydrophobicContact CG-CG1 4.48Å; E139-I149 HydrophobicContact CG-CG2 4.5Å; E139-I149 WeakPolarHBondContact OE2-CD1 3.49Å; C142-I149 HydrophobicContact CB-CG2 3.68Å; I149-P151 HydrophobicContact CD1-CG 4.39Å; I149-F245 HydrophobicContact CD1-CZ 4.41Å; I149-F245 WeakPolarHBondContact CG1-O 3.35Å; I149-F245 PolarHBondContact N-O 3.07Å; I149-F245 VanDerWaalsContact N-O 3.15Å; I149-M246 HydrophobicContact CD1-CB 4.06Å; I149-M246 HydrophobicContact CG1-CB 3.62Å; I149-M246 VanDerWaalsContact O-CA 3.25Å; I149-M246 WeakPolarHBondContact O-CA 3.44Å; I149-V247 PolarHBondContact O-N 3.08Å
150V98.2Very high89.2Confident0 Ų028.3 Ų28.30%016%0.164CC..EExtended strand (participates in β ladder)trans-122.287.7172.3-171.90000107.3F124 V125 G126 I127 L152 I164 T168 L170 V247 Y249F124-V150 HydrophobicContact CB-CG2 3.95Å; F124-V150 HydrophobicContact CD1-CG2 3.52Å; F124-V150 HydrophobicContact CE1-CG2 4.39Å; F124-V150 HydrophobicContact CG-CG2 4.05Å; V125-V150 PolarHBondContact O-N 3.01Å; G126-V150 WeakPolarHBondContact CA-O 3.25Å; I127-V150 PolarHBondContact N-O 3.11Å; V150-L152 HydrophobicContact CG1-CD1 3.88Å; V150-L152 WeakPolarHBondContact O-CD1 3.38Å; V150-I164 HydrophobicContact CG1-CG2 3.78Å; V150-T168 HydrophobicContact CG1-CG2 4.07Å; V150-T168 HydrophobicContact CG2-CG2 4.01Å; V150-L170 HydrophobicContact CB-CD2 4.1Å; V150-L170 HydrophobicContact CG1-CD2 4.35Å; V150-L170 HydrophobicContact CG2-CD2 4.3Å; V150-V247 HydrophobicContact CG2-CB 4.5Å; V150-Y249 HydrophobicContact CG1-CD2 3.93Å; V150-Y249 HydrophobicContact CG1-CE2 3.72Å
151P97.2Very high88.8Confident1 Ų128.8 Ų28.81%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-8113618033.8-35.5000111.2I127 W135 I149 M246 A296I127-P151 WeakPolarHBondContact O-CA 3.35Å; W135-P151 HydrophobicContact CH2-CB 3.9Å; W135-P151 HydrophobicContact CZ2-CB 3.43Å; W135-P151 VanDerWaalsContact CZ2-CB 3.43Å; I149-P151 HydrophobicContact CD1-CG 4.39Å; P151-M246 HydrophobicContact CG-CE 3.35Å; P151-A296 HydrophobicContact CB-CB 4Å
152L92.9Very high88.7Confident2 Ų230.7 Ų30.71%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-112.3141.5179.8-80.365.7000108.4I127 V150 L156 I161 I164I127-L152 PolarHBondContact O-N 2.76Å; V150-L152 HydrophobicContact CG1-CD1 3.88Å; V150-L152 WeakPolarHBondContact O-CD1 3.38Å; L152-L156 HydrophobicContact CB-CD1 4.01Å; L152-L156 HydrophobicContact CG-CD1 4.04Å; L152-I161 HydrophobicContact CD2-CG1 4.22Å; L152-I161 HydrophobicContact CD2-CG2 4.08Å; L152-I164 HydrophobicContact CD1-CG2 4.1Å; L152-I164 HydrophobicContact CD2-CD1 4.41Å; L152-I164 HydrophobicContact CG-CD1 4.07Å
153Y84.5Confident88.5Confident22 Ų2232.2 Ų32.29%0.08619%0.186CC..  trans-69.4140.7166.5-61.4-85.4000109T155 L156 P294 A296 H297 S673Y153-T155 PolarHBondContact O-N 3.38Å; Y153-L156 PolarHBondContact O-N 3.03Å; Y153-P294 HydrophobicContact CD1-CB 3.94Å; Y153-P294 HydrophobicContact CD1-CG 4.3Å; Y153-P294 HydrophobicContact CE1-CB 3.91Å; Y153-P294 HydrophobicContact CE1-CG 4.28Å; Y153-A296 HydrophobicContact CD1-CB 3.87Å; Y153-A296 HydrophobicContact CD2-CB 4.33Å; Y153-A296 HydrophobicContact CE1-CB 3.96Å; Y153-A296 HydrophobicContact CE2-CB 4.37Å; Y153-A296 HydrophobicContact CG-CB 4.08Å; Y153-H297 HydrophobicContact CE1-CB 4.11Å; Y153-H297 WeakPolarHBondContact OH-CB 3.34Å; Y153-H297 PolarHBondContact OH-CD2 3.36Å; Y153-H297 VanDerWaalsContact OH-CD2 3.3Å; Y153-S673 VanDerWaalsContact CD1-CB 3.42Å; Y153-S673 WeakPolarHBondContact CD1-OG 3.39Å; Y153-S673 WeakPolarHBondContact CE1-OG 3.46Å
154D76.2Confident88.5Confident76 Ų7632.1 Ų32.141%0.40619%0.185SC..THydrogen-bonded Turntrans-61.7-12173.560.9-17.7000113.3
155T71.1Confident88.6Confident64 Ų6430.6 Ų30.639%0.39318%0.178SC..THydrogen-bonded Turntrans-103.67.4-178.466.60000113.6Y153 V666Y153-T155 PolarHBondContact O-N 3.38Å; T155-V666 HydrophobicContact CG2-CG1 3.37Å
156L76.2Confident88.7Confident39 Ų3936.4 Ų36.420%0.20420%0.203CC..  trans-70.9136.5177.1-71.8176.6000110.8L152 Y153 A160 I161 I164L152-L156 HydrophobicContact CB-CD1 4.01Å; L152-L156 HydrophobicContact CG-CD1 4.04Å; Y153-L156 PolarHBondContact O-N 3.03Å; L156-A160 HydrophobicContact CB-CB 4.38Å; L156-A160 HydrophobicContact CD2-CB 4.14Å; L156-I161 HydrophobicContact CB-CD1 4.42Å; L156-I161 HydrophobicContact CB-CG1 3.92Å; L156-I164 HydrophobicContact CD1-CD1 3.71Å
157G76.1Confident88.8Confident47 Ų4737.2 Ų37.249%0.48520%0.198SC..  trans-76.6162.1172.500000112.7E159 A160 I161G157-E159 VanDerWaalsContact C-N 3.34Å; G157-E159 PolarHBondContact O-N 2.94Å; G157-A160 WeakPolarHBondContact O-CB 3.18Å; G157-A160 PolarHBondContact O-N 3.02Å; G157-I161 PolarHBondContact O-N 2.78Å; G157-I161 VanDerWaalsContact O-N 3.11Å
158E86.8Confident88.9Confident92 Ų9237 Ų3743%0.4320%0.198SC..Hα-helixtrans-46.9-49.9-178.7174.7171.815100113.6A160 I161 L162 H183 F187E158-A160 VanDerWaalsContact C-N 3.29Å; E158-A160 PolarHBondContact O-N 3.3Å; E158-I161 PolarHBondContact O-N 3.49Å; E158-L162 WeakPolarHBondContact O-CB 3.19Å; E158-L162 PolarHBondContact O-N 2.99Å; E158-H183 IonicContact OE2-CE1 3.11Å; E158-H183 PolarHBondContact OE2-CE1 3.35Å; E158-H183 IonicContact OE2-NE2 3.49Å; E158-F187 HydrophobicContact CB-CE1 4.22Å; E158-F187 HydrophobicContact CB-CZ 4.37Å; E158-F187 HydrophobicContact CG-CD1 3.56Å; E158-F187 HydrophobicContact CG-CD2 4.15Å; E158-F187 HydrophobicContact CG-CE1 3.6Å; E158-F187 HydrophobicContact CG-CE2 4.18Å; E158-F187 HydrophobicContact CG-CG 3.84Å; E158-F187 HydrophobicContact CG-CZ 3.91Å
159E84.1Confident88.8Confident154 Ų15443.6 Ų43.672%0.7223%0.226SC*.Hα-helixtrans-60.5-38.3-178.6-172.7-178.8-175.400112.6G157 T163G157-E159 VanDerWaalsContact C-N 3.34Å; G157-E159 PolarHBondContact O-N 2.94Å; E159-T163 WeakPolarHBondContact O-CB 3.41Å; E159-T163 PolarHBondContact O-N 2.88Å; E159-T163 PolarHBondContact O-OG1 2.88Å
160A84.9Confident88.6Confident17 Ų1743.6 Ų43.614%0.1423%0.226CC..Hα-helixtrans-68.2-45.3177.400000110.8L156 G157 E158 T163 I164 P257L156-A160 HydrophobicContact CB-CB 4.38Å; L156-A160 HydrophobicContact CD2-CB 4.14Å; G157-A160 WeakPolarHBondContact O-CB 3.18Å; G157-A160 PolarHBondContact O-N 3.02Å; E158-A160 VanDerWaalsContact C-N 3.29Å; E158-A160 PolarHBondContact O-N 3.3Å; A160-T163 PolarHBondContact O-N 3.32Å; A160-I164 VanDerWaalsContact O-CG1 3.25Å; A160-I164 WeakPolarHBondContact O-CG1 3.4Å; A160-I164 PolarHBondContact O-N 2.92Å; A160-P257 HydrophobicContact CB-CG 3.95Å
161I90Very high88.4Confident11 Ų1143.9 Ų43.96%0.05623%0.228CC..Hα-helixtrans-62-46.4177.5-60175.6000110.3L152 L156 G157 E158 T163 I164 L165 I184 F187L152-I161 HydrophobicContact CD2-CG1 4.22Å; L152-I161 HydrophobicContact CD2-CG2 4.08Å; L156-I161 HydrophobicContact CB-CD1 4.42Å; L156-I161 HydrophobicContact CB-CG1 3.92Å; G157-I161 PolarHBondContact O-N 2.78Å; G157-I161 VanDerWaalsContact O-N 3.11Å; E158-I161 PolarHBondContact O-N 3.49Å; I161-T163 VanDerWaalsContact C-N 3.3Å; I161-T163 PolarHBondContact O-N 3.18Å; I161-I164 PolarHBondContact O-N 3.45Å; I161-L165 HydrophobicContact CG2-CD1 4.01Å; I161-L165 HydrophobicContact CG2-CG 4.32Å; I161-L165 WeakPolarHBondContact O-CB 3.19Å; I161-L165 WeakPolarHBondContact O-CG 3.47Å; I161-L165 PolarHBondContact O-N 3.22Å; I161-I184 HydrophobicContact CG2-CD1 4.41Å; I161-I184 HydrophobicContact CG2-CG1 4.34Å; I161-F187 HydrophobicContact CB-CE2 4.04Å; I161-F187 HydrophobicContact CB-CZ 4.2Å; I161-F187 HydrophobicContact CG2-CE2 3.84Å; I161-F187 HydrophobicContact CG2-CZ 4.09Å
162L92.1Very high88.3Confident39 Ų3943.8 Ų43.820%0.20423%0.228CC..Hα-helixtrans-59-42177.5179.557.4000111.9E158 L165 K166 F187E158-L162 WeakPolarHBondContact O-CB 3.19Å; E158-L162 PolarHBondContact O-N 2.99Å; L162-L165 PolarHBondContact O-N 3.03Å; L162-K166 HydrophobicContact CD1-CD 4.2Å; L162-K166 HydrophobicContact CD1-CG 4.29Å; L162-K166 HydrophobicContact CG-CD 4.21Å; L162-K166 WeakPolarHBondContact O-CB 3.5Å; L162-K166 WeakPolarHBondContact O-CG 3.26Å; L162-K166 PolarHBondContact O-N 2.72Å; L162-F187 HydrophobicContact CB-CD2 3.99Å; L162-F187 HydrophobicContact CB-CE2 4.29Å; L162-F187 HydrophobicContact CD1-CD2 4.24Å; L162-F187 WeakPolarHBondContact CD1-O 3.44Å
163T91.3Very high88.5Confident33 Ų3343.7 Ų43.720%0.20223%0.227CC..Hα-helixtrans-62-46.1176.6-61.10000111.3E159 A160 I161 K166 Q167 I256E159-T163 WeakPolarHBondContact O-CB 3.41Å; E159-T163 PolarHBondContact O-N 2.88Å; E159-T163 PolarHBondContact O-OG1 2.88Å; A160-T163 PolarHBondContact O-N 3.32Å; I161-T163 VanDerWaalsContact C-N 3.3Å; I161-T163 PolarHBondContact O-N 3.18Å; T163-K166 PolarHBondContact O-N 2.78Å; T163-Q167 WeakPolarHBondContact O-CG 3.27Å; T163-Q167 PolarHBondContact O-N 3.34Å; T163-I256 HydrophobicContact CG2-CG2 4.17Å
164I94Very high89.1Confident0 Ų042.7 Ų42.70%022%0.223CC..Hα-helixtrans-60.2-47.6177.7-67.6166.6000110.8V150 L152 L156 A160 I161 K166 Q167 T168 Y249 P257V150-I164 HydrophobicContact CG1-CG2 3.78Å; L152-I164 HydrophobicContact CD1-CG2 4.1Å; L152-I164 HydrophobicContact CD2-CD1 4.41Å; L152-I164 HydrophobicContact CG-CD1 4.07Å; L156-I164 HydrophobicContact CD1-CD1 3.71Å; A160-I164 VanDerWaalsContact O-CG1 3.25Å; A160-I164 WeakPolarHBondContact O-CG1 3.4Å; A160-I164 PolarHBondContact O-N 2.92Å; I161-I164 PolarHBondContact O-N 3.45Å; I164-K166 VanDerWaalsContact C-N 3.34Å; I164-K166 PolarHBondContact O-N 3.49Å; I164-Q167 PolarHBondContact O-N 3.47Å; I164-T168 HydrophobicContact CG2-CG2 4.36Å; I164-T168 WeakPolarHBondContact O-CB 3.41Å; I164-T168 WeakPolarHBondContact O-CG2 3.46Å; I164-T168 PolarHBondContact O-N 3.32Å; I164-T168 PolarHBondContact O-OG1 3.02Å; I164-Y249 HydrophobicContact CB-CE1 4.48Å; I164-Y249 HydrophobicContact CB-CE2 4.18Å; I164-Y249 HydrophobicContact CD1-CD1 4.08Å; I164-Y249 HydrophobicContact CD1-CD2 4.04Å; I164-Y249 HydrophobicContact CD1-CE2 4.48Å; I164-Y249 HydrophobicContact CD1-CG 3.81Å; I164-Y249 HydrophobicContact CG1-CD1 3.68Å; I164-Y249 HydrophobicContact CG1-CD2 3.9Å; I164-Y249 HydrophobicContact CG1-CE1 3.62Å; I164-Y249 HydrophobicContact CG1-CE2 3.86Å; I164-Y249 HydrophobicContact CG1-CG 3.8Å; I164-Y249 HydrophobicContact CG2-CD2 3.99Å; I164-Y249 HydrophobicContact CG2-CE2 3.54Å; I164-P257 HydrophobicContact CD1-CG 4.33Å; I164-P257 HydrophobicContact CG1-CG 4.14Å
165L94.8Very high89.9Confident0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-60.4-41.8178.9-74.6177.7000112.2I161 L162 K169 L170 M173 I184 A188 P189I161-L165 HydrophobicContact CG2-CD1 4.01Å; I161-L165 HydrophobicContact CG2-CG 4.32Å; I161-L165 WeakPolarHBondContact O-CB 3.19Å; I161-L165 WeakPolarHBondContact O-CG 3.47Å; I161-L165 PolarHBondContact O-N 3.22Å; L162-L165 PolarHBondContact O-N 3.03Å; L165-K169 VanDerWaalsContact O-CA 3.3Å; L165-K169 WeakPolarHBondContact O-CA 3.36Å; L165-K169 PolarHBondContact O-N 3.1Å; L165-L170 HydrophobicContact CD2-CD1 3.73Å; L165-L170 HydrophobicContact CD2-CD2 3.99Å; L165-L170 HydrophobicContact CD2-CG 3.72Å; L165-M173 HydrophobicContact CD1-CE 4.15Å; L165-M173 HydrophobicContact CD2-CE 3.43Å; L165-M173 VanDerWaalsContact CD2-CE 3.43Å; L165-M173 HydrophobicContact CG-CE 4.21Å; L165-I184 HydrophobicContact CD1-CG2 4.13Å; L165-A188 HydrophobicContact CD1-CB 4.2Å; L165-P189 HydrophobicContact CB-CG 3.81Å
166K93.7Very high90.7Very high127 Ų12737.4 Ų37.455%0.55219%0.192SC*.Hα-helixtrans-66.8-41.3177.5-76.5174.5176.2172.20112.9L162 T163 I164 K169L162-K166 HydrophobicContact CD1-CD 4.2Å; L162-K166 HydrophobicContact CD1-CG 4.29Å; L162-K166 HydrophobicContact CG-CD 4.21Å; L162-K166 WeakPolarHBondContact O-CB 3.5Å; L162-K166 WeakPolarHBondContact O-CG 3.26Å; L162-K166 PolarHBondContact O-N 2.72Å; T163-K166 PolarHBondContact O-N 2.78Å; I164-K166 VanDerWaalsContact C-N 3.34Å; I164-K166 PolarHBondContact O-N 3.49Å; K166-K169 WeakPolarHBondContact O-CG 3.48Å
167Q93.7Very high91.3Very high49 Ų4936.4 Ų36.423%0.22919%0.189CC..Hα-helixtrans-69.2-50.7-179.9-74.7177.3-1500111.4T163 I164 Y249 Y495T163-Q167 WeakPolarHBondContact O-CG 3.27Å; T163-Q167 PolarHBondContact O-N 3.34Å; I164-Q167 PolarHBondContact O-N 3.47Å; Q167-Y249 VanDerWaalsContact OE1-CE1 3.31Å; Q167-Y249 PolarHBondContact OE1-OH 3.42Å; Q167-Y495 WeakPolarHBondContact O-CE1 3.3Å
168T94.6Very high91.8Very high4 Ų435 Ų353%0.02517%0.17CC..Hα-helixtrans-80.6-24.5-17458.80000113.3F124 V150 I164 L170 Y249 Y495F124-T168 WeakPolarHBondContact CD2-O 3.16Å; V150-T168 HydrophobicContact CG1-CG2 4.07Å; V150-T168 HydrophobicContact CG2-CG2 4.01Å; I164-T168 HydrophobicContact CG2-CG2 4.36Å; I164-T168 WeakPolarHBondContact O-CB 3.41Å; I164-T168 WeakPolarHBondContact O-CG2 3.46Å; I164-T168 PolarHBondContact O-N 3.32Å; I164-T168 PolarHBondContact O-OG1 3.02Å; T168-L170 PolarHBondContact O-N 3.36Å; T168-L170 VanDerWaalsContact O-N 3.13Å; T168-L170 WeakPolarHBondContact OG1-CD2 3.17Å; T168-Y249 HydrophobicContact CG2-CE2 4.04Å; T168-Y249 WeakPolarHBondContact CG2-OH 3.5Å; T168-Y495 HydrophobicContact CG2-CD1 4.41Å; T168-Y495 HydrophobicContact CG2-CE1 4.25Å
169K93.9Very high91.9Very high138 Ų13835.4 Ų35.460%0.617%0.172SC*.  trans51.532.6-175.4-57.5-178.9-177.9176.20112.4L165 K166 T191L165-K169 VanDerWaalsContact O-CA 3.3Å; L165-K169 WeakPolarHBondContact O-CA 3.36Å; L165-K169 PolarHBondContact O-N 3.1Å; K166-K169 WeakPolarHBondContact O-CG 3.48Å; K169-T191 HydrophobicContact CB-CG2 3.91Å; K169-T191 HydrophobicContact CG-CG2 4.18Å
170L94.4Very high92Very high0 Ų030.3 Ų30.30%015%0.151CC..  trans-63.1135-175.365.188.4000111F124 V150 L165 T168 I172 M173 L192F124-L170 HydrophobicContact CB-CB 3.62Å; V150-L170 HydrophobicContact CB-CD2 4.1Å; V150-L170 HydrophobicContact CG1-CD2 4.35Å; V150-L170 HydrophobicContact CG2-CD2 4.3Å; L165-L170 HydrophobicContact CD2-CD1 3.73Å; L165-L170 HydrophobicContact CD2-CD2 3.99Å; L165-L170 HydrophobicContact CD2-CG 3.72Å; T168-L170 PolarHBondContact O-N 3.36Å; T168-L170 VanDerWaalsContact O-N 3.13Å; T168-L170 WeakPolarHBondContact OG1-CD2 3.17Å; L170-I172 VanDerWaalsContact CD1-O 3.29Å; L170-I172 WeakPolarHBondContact CD1-O 3.22Å; L170-M173 HydrophobicContact CD1-CB 4.12Å; L170-M173 HydrophobicContact CD1-CE 4.1Å; L170-L192 HydrophobicContact CD1-CD1 3.71Å; L170-L192 WeakPolarHBondContact O-CA 3.47Å
171P93.6Very high92.3Very high6 Ų629.5 Ų29.54%0.03915%0.145CC..SBendtrans-87-22.6179.530.6-34.6000114.9F123 F124 T191 Q193 H194F123-P171 HydrophobicContact CD2-CG 4.23Å; F123-P171 HydrophobicContact CE2-CG 3.46Å; F123-P171 VanDerWaalsContact CE2-CG 3.46Å; F123-P171 HydrophobicContact CZ-CG 3.66Å; F124-P171 WeakPolarHBondContact O-CD 3.3Å; P171-T191 VanDerWaalsContact CA-O 3.24Å; P171-T191 WeakPolarHBondContact CA-O 3.01Å; P171-Q193 PolarHBondContact O-N 2.88Å; P171-H194 PolarHBondContact O-N 3.21Å
172I95.7Very high92.3Very high0 Ų032.6 Ų32.60%016%0.159CC..EExtended strand (participates in β ladder)trans-128.1133-173.2-56.6-177.3000109.8L111 L114 F123 G126 L170 F174 H194 I196L111-I172 HydrophobicContact CD2-CD1 4.12Å; L111-I172 HydrophobicContact CD2-CG2 4.37Å; L114-I172 HydrophobicContact CB-CD1 3.78Å; F123-I172 HydrophobicContact CE1-CD1 4.21Å; F123-I172 HydrophobicContact CZ-CD1 3.88Å; F123-I172 HydrophobicContact CZ-CG1 4.32Å; G126-I172 PolarHBondContact N-O 3.27Å; L170-I172 VanDerWaalsContact CD1-O 3.29Å; L170-I172 WeakPolarHBondContact CD1-O 3.22Å; I172-F174 HydrophobicContact CG2-CE2 4.06Å; I172-H194 CarbonylContact C-O 3.24Å; I172-H194 WeakPolarHBondContact CA-O 3.25Å; I172-H194 HydrophobicContact CG1-CB 4.22Å; I172-H194 HydrophobicContact CG2-CB 4.49Å; I172-I196 HydrophobicContact CG2-CD1 3.34Å
173M96.3Very high92.1Very high0 Ų034.9 Ų34.90%017%0.168CC..EExtended strand (participates in β ladder)trans-131.1135.6173.9-169.3-177.2-44.700112.7G126 L165 L170 I184 L192 H194 I195 I196G126-M173 CarbonylContact O-C 3.6Å; G126-M173 VanDerWaalsContact O-CA 3.31Å; G126-M173 WeakPolarHBondContact O-CA 3.26Å; L165-M173 HydrophobicContact CD1-CE 4.15Å; L165-M173 HydrophobicContact CD2-CE 3.43Å; L165-M173 VanDerWaalsContact CD2-CE 3.43Å; L165-M173 HydrophobicContact CG-CE 4.21Å; L170-M173 HydrophobicContact CD1-CB 4.12Å; L170-M173 HydrophobicContact CD1-CE 4.1Å; M173-I184 HydrophobicContact CE-CD1 4.32Å; M173-I184 HydrophobicContact CE-CG2 3.96Å; M173-I184 HydrophobicContact SD-CD1 3.52Å; M173-I184 VanDerWaalsContact SD-CD1 3.52Å; M173-I184 HydrophobicContact SD-CG2 4.37Å; M173-L192 HydrophobicContact CB-CD1 3.81Å; M173-L192 HydrophobicContact CE-CD1 4.17Å; M173-L192 HydrophobicContact CE-CD2 3.84Å; M173-H194 PolarHBondContact N-O 3.18Å; M173-I195 HydrophobicContact CB-CG1 4.49Å; M173-I195 CarbonylContact O-C 3.55Å; M173-I195 VanDerWaalsContact O-CA 3.22Å; M173-I195 WeakPolarHBondContact O-CA 3.27Å; M173-I196 PolarHBondContact O-N 3.39Å
174F96.9Very high92.1Very high0 Ų033.4 Ų33.40%016%0.159CC..EExtended strand (participates in β ladder)trans-95.6134.9168.9-70-99.7000110.5L111 V125 G126 I127 S128 V138 I172 I196 F198 Y222 F225L111-F174 HydrophobicContact CD2-CE2 4.02Å; L111-F174 HydrophobicContact CD2-CZ 4.14Å; V125-F174 HydrophobicContact CG1-CD2 3.77Å; V125-F174 HydrophobicContact CG1-CE2 3.67Å; G126-F174 PolarHBondContact O-N 2.97Å; I127-F174 HydrophobicContact CG2-CB 4.32Å; S128-F174 PolarHBondContact N-O 3.06Å; V138-F174 HydrophobicContact CG1-CD2 3.9Å; V138-F174 HydrophobicContact CG1-CE2 3.7Å; V138-F174 HydrophobicContact CG1-CG 4.44Å; V138-F174 HydrophobicContact CG1-CZ 4.06Å; V138-F174 HydrophobicContact CG2-CD1 4.1Å; V138-F174 HydrophobicContact CG2-CE1 3.76Å; V138-F174 HydrophobicContact CG2-CE2 4.34Å; V138-F174 HydrophobicContact CG2-CZ 3.9Å; I172-F174 HydrophobicContact CG2-CE2 4.06Å; F174-I196 CarbonylContact C-O 3.55Å; F174-I196 VanDerWaalsContact CA-O 3.28Å; F174-I196 WeakPolarHBondContact CA-O 3.36Å; F174-I196 HydrophobicContact CD1-CB 3.68Å; F174-I196 HydrophobicContact CD1-CG2 3.76Å; F174-I196 HydrophobicContact CE1-CB 3.66Å; F174-I196 HydrophobicContact CE1-CD1 4.49Å; F174-I196 HydrophobicContact CE1-CG1 4.15Å; F174-I196 HydrophobicContact CE1-CG2 3.56Å; F174-I196 HydrophobicContact CE2-CD1 4.37Å; F174-I196 HydrophobicContact CG-CB 4.31Å; F174-I196 HydrophobicContact CZ-CB 4.25Å; F174-I196 HydrophobicContact CZ-CD1 4.23Å; F174-I196 HydrophobicContact CZ-CG1 4.3Å; F174-I196 HydrophobicContact CZ-CG2 4.47Å; F174-F198 HydrophobicContact CB-CD2 4.44Å; F174-F198 HydrophobicContact CB-CE1 4.29Å; F174-F198 HydrophobicContact CB-CE2 3.76Å; F174-F198 HydrophobicContact CB-CZ 3.67Å; F174-F198 HydrophobicContact CD1-CD1 4.18Å; F174-F198 AromaticContact CD1-CE1 3.57Å; F174-F198 HydrophobicContact CD1-CE1 3.57Å; F174-F198 AromaticContact CD1-CZ 3.79Å; F174-F198 HydrophobicContact CD1-CZ 3.79Å; F174-F198 HydrophobicContact CE1-CE1 4.29Å; F174-F198 HydrophobicContact CG-CE1 4.21Å; F174-F198 AromaticContact CG-CZ 3.94Å; F174-F198 HydrophobicContact CG-CZ 3.94Å; F174-Y222 HydrophobicContact CD1-CE2 4.48Å; F174-Y222 HydrophobicContact CE1-CD2 4.24Å; F174-Y222 HydrophobicContact CE1-CE2 4.02Å; F174-F225 HydrophobicContact CE1-CD1 4.22Å; F174-F225 HydrophobicContact CE1-CE1 4.07Å; F174-F225 HydrophobicContact CE1-CZ 4.48Å; F174-F225 HydrophobicContact CZ-CD1 4.43Å; F174-F225 AromaticContact CZ-CE1 3.95Å; F174-F225 HydrophobicContact CZ-CE1 3.95Å; F174-F225 HydrophobicContact CZ-CE2 4.37Å; F174-F225 AromaticContact CZ-CZ 3.92Å; F174-F225 HydrophobicContact CZ-CZ 3.92Å
175C94.5Very high92Very high0 Ų033.4 Ų33.40%016%0.159CC..EExtended strand (participates in β ladder)trans-126.9151.3178.1-65.70000111.1S128 V180 A181 I195 I196 L197 F198S128-C175 WeakPolarHBondContact O-CA 3.35Å; C175-V180 HydrophobicContact CB-CG1 4.44Å; C175-A181 HydrophobicContact CB-CB 4.26Å; C175-I195 HydrophobicContact CB-CG2 4.26Å; C175-I196 PolarHBondContact N-O 2.92Å; C175-L197 HydrophobicContact CB-CD2 4.19Å; C175-L197 CarbonylContact O-C 3.58Å; C175-L197 WeakPolarHBondContact O-CA 3.21Å; C175-F198 PolarHBondContact O-N 3.27Å
176D87.8Confident91.8Very high29 Ų2937.4 Ų37.416%0.15518%0.183CC..SBendtrans-85.1-14.5176.865.1-0.3000114.6S128 K130 S201S128-D176 PolarHBondContact O-N 2.87Å; K130-D176 PolarHBondContact N-OD2 3.46Å; D176-S201 WeakPolarHBondContact O-CA 3.44Å; D176-S201 VanDerWaalsContact O-CB 3.24Å; D176-S201 WeakPolarHBondContact O-CB 3.1Å; D176-S201 PolarHBondContact O-N 2.7Å
177S87.2Confident91.7Very high18 Ų1832.6 Ų32.613%0.12616%0.163CC..  trans-148.2149.9-172.557.10000112.4E179 V180 A181 L197S177-E179 VanDerWaalsContact C-N 3.28Å; S177-E179 WeakPolarHBondContact CB-OE2 3.45Å; S177-E179 PolarHBondContact O-N 3.01Å; S177-V180 PolarHBondContact O-N 3.08Å; S177-V180 WeakPolarHBondContact OG-CB 3.48Å; S177-V180 WeakPolarHBondContact OG-CG2 3.47Å; S177-A181 PolarHBondContact O-N 3.23Å; S177-A181 VanDerWaalsContact O-N 3.15Å; S177-L197 WeakPolarHBondContact O-CD2 3.49Å
178I88Confident91.5Very high18 Ų1830.7 Ų30.79%0.09216%0.155CC..Hα-helixtrans-67.8-33.2178.8-176.364.7000110.9A181 Q182 L197 V210 I219I178-A181 PolarHBondContact O-N 2.81Å; I178-Q182 HydrophobicContact CD1-CG 4.05Å; I178-Q182 HydrophobicContact CG1-CG 4.1Å; I178-Q182 WeakPolarHBondContact O-CB 3.15Å; I178-Q182 WeakPolarHBondContact O-CG 3.41Å; I178-Q182 PolarHBondContact O-N 3.36Å; I178-L197 HydrophobicContact CB-CD1 4.17Å; I178-L197 HydrophobicContact CD1-CD1 3.72Å; I178-V210 HydrophobicContact CD1-CB 4.48Å; I178-V210 HydrophobicContact CD1-CG1 4.04Å; I178-I219 HydrophobicContact CD1-CD1 4.37Å; I178-I219 HydrophobicContact CD1-CG2 4.29Å
179E87.9Confident91.4Very high101 Ų10131.9 Ų31.947%0.47216%0.163SC..Hα-helixtrans-62.8-46.2178.7-62.379.3-175.600111S177 H183S177-E179 VanDerWaalsContact C-N 3.28Å; S177-E179 WeakPolarHBondContact CB-OE2 3.45Å; S177-E179 PolarHBondContact O-N 3.01Å; E179-H183 VanDerWaalsContact O-CB 3.26Å; E179-H183 WeakPolarHBondContact O-CB 3.37Å; E179-H183 PolarHBondContact O-N 3.46Å
180V87.2Confident91.1Very high47 Ų4730.9 Ų30.929%0.28516%0.164SC..Hα-helixtrans-63.7-45.7175.3171.30000110.5C175 S177 H183 I184C175-V180 HydrophobicContact CB-CG1 4.44Å; S177-V180 PolarHBondContact O-N 3.08Å; S177-V180 WeakPolarHBondContact OG-CB 3.48Å; S177-V180 WeakPolarHBondContact OG-CG2 3.47Å; V180-H183 PolarHBondContact O-N 2.98Å; V180-I184 HydrophobicContact CG1-CD1 3.83Å; V180-I184 HydrophobicContact CG1-CG1 4.49Å; V180-I184 VanDerWaalsContact O-CG1 3.3Å; V180-I184 WeakPolarHBondContact O-CG1 3.49Å; V180-I184 PolarHBondContact O-N 3.02Å
181A90.7Very high91Very high0 Ų033.1 Ų33.10%018%0.178CC..Hα-helixtrans-58.9-51.2178.600000112.1C175 S177 I178 H183 I184 T185 I195 L197 I219C175-A181 HydrophobicContact CB-CB 4.26Å; S177-A181 PolarHBondContact O-N 3.23Å; S177-A181 VanDerWaalsContact O-N 3.15Å; I178-A181 PolarHBondContact O-N 2.81Å; A181-H183 PolarHBondContact O-N 3.49Å; A181-I184 PolarHBondContact O-N 3.42Å; A181-T185 WeakPolarHBondContact O-CG2 3.37Å; A181-T185 PolarHBondContact O-N 3.4Å; A181-I195 HydrophobicContact CB-CD1 4.41Å; A181-I195 HydrophobicContact CB-CG2 3.65Å; A181-L197 HydrophobicContact CB-CD2 3.56Å; A181-I219 HydrophobicContact CB-CD1 4.34Å
182Q89.3Confident91Very high75 Ų7532.9 Ų32.935%0.3518%0.177SC..Hα-helixtrans-61.5-43.7178.8-75.2179.4-20.300111.6I178 I184 T185 T186 I219I178-Q182 HydrophobicContact CD1-CG 4.05Å; I178-Q182 HydrophobicContact CG1-CG 4.1Å; I178-Q182 WeakPolarHBondContact O-CB 3.15Å; I178-Q182 WeakPolarHBondContact O-CG 3.41Å; I178-Q182 PolarHBondContact O-N 3.36Å; Q182-I184 VanDerWaalsContact C-N 3.34Å; Q182-I184 PolarHBondContact O-N 3.32Å; Q182-T185 PolarHBondContact O-N 3.07Å; Q182-T185 VanDerWaalsContact O-N 3.13Å; Q182-T185 PolarHBondContact O-OG1 3.42Å; Q182-T186 PolarHBondContact O-N 2.89Å; Q182-I219 HydrophobicContact CG-CD1 4.45Å
183H88.8Confident90.8Very high88 Ų8835.8 Ų35.841%0.40719%0.19SC..Hα-helixtrans-58.5-45.7176.1-179.546.1000111.5E158 E179 V180 A181 T185 T186 F187E158-H183 IonicContact OE2-CE1 3.11Å; E158-H183 PolarHBondContact OE2-CE1 3.35Å; E158-H183 IonicContact OE2-NE2 3.49Å; E179-H183 VanDerWaalsContact O-CB 3.26Å; E179-H183 WeakPolarHBondContact O-CB 3.37Å; E179-H183 PolarHBondContact O-N 3.46Å; V180-H183 PolarHBondContact O-N 2.98Å; A181-H183 PolarHBondContact O-N 3.49Å; H183-T185 VanDerWaalsContact C-N 3.27Å; H183-T185 PolarHBondContact O-N 2.9Å; H183-T186 PolarHBondContact O-N 3.04Å; H183-T186 VanDerWaalsContact O-N 3.09Å; H183-T186 PolarHBondContact O-OG1 2.88Å; H183-F187 AromaticContact CD2-CE1 4Å; H183-F187 AromaticContact CE1-CE1 3.82Å; H183-F187 AromaticContact NE2-CE1 3.78Å; H183-F187 VanDerWaalsContact O-CD1 3.3Å; H183-F187 WeakPolarHBondContact O-CD1 3.28Å; H183-F187 WeakPolarHBondContact O-CE1 3.44Å
184I91.3Very high90.7Very high1 Ų136.6 Ų36.61%0.00519%0.194CC..Hα-helixtrans-60.5-37.9176.7-68.6172.6000111.4I161 L165 M173 V180 A181 Q182 T186 F187 A188 L192 I195I161-I184 HydrophobicContact CG2-CD1 4.41Å; I161-I184 HydrophobicContact CG2-CG1 4.34Å; L165-I184 HydrophobicContact CD1-CG2 4.13Å; M173-I184 HydrophobicContact CE-CD1 4.32Å; M173-I184 HydrophobicContact CE-CG2 3.96Å; M173-I184 HydrophobicContact SD-CD1 3.52Å; M173-I184 VanDerWaalsContact SD-CD1 3.52Å; M173-I184 HydrophobicContact SD-CG2 4.37Å; V180-I184 HydrophobicContact CG1-CD1 3.83Å; V180-I184 HydrophobicContact CG1-CG1 4.49Å; V180-I184 VanDerWaalsContact O-CG1 3.3Å; V180-I184 WeakPolarHBondContact O-CG1 3.49Å; V180-I184 PolarHBondContact O-N 3.02Å; A181-I184 PolarHBondContact O-N 3.42Å; Q182-I184 VanDerWaalsContact C-N 3.34Å; Q182-I184 PolarHBondContact O-N 3.32Å; I184-T186 PolarHBondContact O-N 2.96Å; I184-T186 VanDerWaalsContact O-N 3.13Å; I184-F187 HydrophobicContact CB-CZ 4.36Å; I184-F187 HydrophobicContact CG1-CZ 4.06Å; I184-F187 PolarHBondContact O-N 3.16Å; I184-A188 HydrophobicContact CG2-CB 4.2Å; I184-A188 WeakPolarHBondContact O-CB 3.25Å; I184-A188 PolarHBondContact O-N 3.46Å; I184-L192 HydrophobicContact CG2-CD2 3.86Å; I184-I195 HydrophobicContact CG2-CD1 4.36Å
185T91Very high90.6Very high1 Ų136.6 Ų36.61%0.00619%0.194CC..Hα-helixtrans-62.9-19178.1690000114.5A181 Q182 H183 F187 I195 N214 V217 I219A181-T185 WeakPolarHBondContact O-CG2 3.37Å; A181-T185 PolarHBondContact O-N 3.4Å; Q182-T185 PolarHBondContact O-N 3.07Å; Q182-T185 VanDerWaalsContact O-N 3.13Å; Q182-T185 PolarHBondContact O-OG1 3.42Å; H183-T185 VanDerWaalsContact C-N 3.27Å; H183-T185 PolarHBondContact O-N 2.9Å; T185-F187 VanDerWaalsContact C-N 3.31Å; T185-F187 PolarHBondContact O-N 3.24Å; T185-I195 HydrophobicContact CG2-CD1 3.72Å; T185-N214 WeakPolarHBondContact O-CB 3.36Å; T185-V217 HydrophobicContact CG2-CB 4.07Å; T185-V217 HydrophobicContact CG2-CG1 4.06Å; T185-V217 HydrophobicContact CG2-CG2 4.48Å; T185-I219 HydrophobicContact CG2-CD1 4.18Å
186T91.2Very high90.6Very high83 Ų8336.6 Ų36.651%0.50919%0.194SC..THydrogen-bonded Turntrans-74.9-21.3-179.271.60000113.2Q182 H183 I184 V213Q182-T186 PolarHBondContact O-N 2.89Å; H183-T186 PolarHBondContact O-N 3.04Å; H183-T186 VanDerWaalsContact O-N 3.09Å; H183-T186 PolarHBondContact O-OG1 2.88Å; I184-T186 PolarHBondContact O-N 2.96Å; I184-T186 VanDerWaalsContact O-N 3.13Å; T186-V213 HydrophobicContact CG2-CG2 4.47Å
187F91.2Very high90.9Very high27 Ų2735.4 Ų35.412%0.11819%0.187CC..THydrogen-bonded Turntrans-131.7-4.7-177.760.6-97.5000114E158 I161 L162 H183 I184 T185E158-F187 HydrophobicContact CB-CE1 4.22Å; E158-F187 HydrophobicContact CB-CZ 4.37Å; E158-F187 HydrophobicContact CG-CD1 3.56Å; E158-F187 HydrophobicContact CG-CD2 4.15Å; E158-F187 HydrophobicContact CG-CE1 3.6Å; E158-F187 HydrophobicContact CG-CE2 4.18Å; E158-F187 HydrophobicContact CG-CG 3.84Å; E158-F187 HydrophobicContact CG-CZ 3.91Å; I161-F187 HydrophobicContact CB-CE2 4.04Å; I161-F187 HydrophobicContact CB-CZ 4.2Å; I161-F187 HydrophobicContact CG2-CE2 3.84Å; I161-F187 HydrophobicContact CG2-CZ 4.09Å; L162-F187 HydrophobicContact CB-CD2 3.99Å; L162-F187 HydrophobicContact CB-CE2 4.29Å; L162-F187 HydrophobicContact CD1-CD2 4.24Å; L162-F187 WeakPolarHBondContact CD1-O 3.44Å; H183-F187 AromaticContact CD2-CE1 4Å; H183-F187 AromaticContact CE1-CE1 3.82Å; H183-F187 AromaticContact NE2-CE1 3.78Å; H183-F187 VanDerWaalsContact O-CD1 3.3Å; H183-F187 WeakPolarHBondContact O-CD1 3.28Å; H183-F187 WeakPolarHBondContact O-CE1 3.44Å; I184-F187 HydrophobicContact CB-CZ 4.36Å; I184-F187 HydrophobicContact CG1-CZ 4.06Å; I184-F187 PolarHBondContact O-N 3.16Å; T185-F187 VanDerWaalsContact C-N 3.31Å; T185-F187 PolarHBondContact O-N 3.24Å
188A90.9Very high91.2Very high8 Ų834.9 Ų34.97%0.06618%0.183CC..  trans-59.4138.6-178.200000112.6L165 I184 L192L165-A188 HydrophobicContact CD1-CB 4.2Å; I184-A188 HydrophobicContact CG2-CB 4.2Å; I184-A188 WeakPolarHBondContact O-CB 3.25Å; I184-A188 PolarHBondContact O-N 3.46Å; A188-L192 HydrophobicContact CB-CB 4.31Å; A188-L192 HydrophobicContact CB-CD2 3.71Å
189P91Very high90.8Very high29 Ų2936.8 Ų36.819%0.18820%0.196CC..  trans-69158.3171.330.5-33.6000111.1L165 T191 L192L165-P189 HydrophobicContact CB-CG 3.81Å; P189-T191 WeakPolarHBondContact CG-OG1 3.39Å; P189-T191 PolarHBondContact O-N 3.06Å; P189-L192 PolarHBondContact O-N 3.11Å
190N88.4Confident89.7Confident117 Ų11737.4 Ų37.463%0.62620%0.203SC*.THydrogen-bonded Turntrans-59.9-11.3179.3-62.8-7.8000114.6L192 L216N190-L192 VanDerWaalsContact C-N 3.32Å; N190-L216 WeakPolarHBondContact OD1-CD1 3.31Å
191T91.3Very high88.2Confident48 Ų4836.5 Ų36.529%0.29420%0.199SC..THydrogen-bonded Turntrans-69.3-31.8174.553.70000111.6K169 P171 P189 Q193K169-T191 HydrophobicContact CB-CG2 3.91Å; K169-T191 HydrophobicContact CG-CG2 4.18Å; P171-T191 VanDerWaalsContact CA-O 3.24Å; P171-T191 WeakPolarHBondContact CA-O 3.01Å; P189-T191 WeakPolarHBondContact CG-OG1 3.39Å; P189-T191 PolarHBondContact O-N 3.06Å; T191-Q193 PolarHBondContact O-N 2.75Å
192L93.4Very high85.9Confident1 Ų141.4 Ų41.41%0.00523%0.233CC..  trans-76.7116.8174.2-178.966.3000108.9L170 M173 I184 A188 P189 N190 I195 V217L170-L192 HydrophobicContact CD1-CD1 3.71Å; L170-L192 WeakPolarHBondContact O-CA 3.47Å; M173-L192 HydrophobicContact CB-CD1 3.81Å; M173-L192 HydrophobicContact CE-CD1 4.17Å; M173-L192 HydrophobicContact CE-CD2 3.84Å; I184-L192 HydrophobicContact CG2-CD2 3.86Å; A188-L192 HydrophobicContact CB-CB 4.31Å; A188-L192 HydrophobicContact CB-CD2 3.71Å; P189-L192 PolarHBondContact O-N 3.11Å; N190-L192 VanDerWaalsContact C-N 3.32Å; L192-I195 HydrophobicContact CD2-CD1 4.04Å; L192-I195 HydrophobicContact CD2-CG1 4.07Å; L192-I195 HydrophobicContact CG-CG1 4.45Å; L192-V217 HydrophobicContact CD2-CG1 4.48Å; L192-V217 HydrophobicContact CG-CG1 4.31Å; L192-V217 WeakPolarHBondContact O-CG2 3.23Å
193Q92.1Very high83.7Confident60 Ų6041.1 Ų41.128%0.2824%0.236SC..  trans-111.1-31-175.7-65.3174.91.700112.1P171 T191 K218P171-Q193 PolarHBondContact O-N 2.88Å; T191-Q193 PolarHBondContact O-N 2.75Å; Q193-K218 PolarHBondContact O-N 3.27Å
194H93.9Very high81.5Confident18 Ų1845.7 Ų45.78%0.08326%0.264CS..EExtended strand (participates in β ladder)trans-132.9131-172.9-53.6-60.4000111.5L114 P171 I172 M173 I196 K218 Y220L114-H194 HydrophobicContact CD1-CB 4.49Å; P171-H194 PolarHBondContact O-N 3.21Å; I172-H194 CarbonylContact C-O 3.24Å; I172-H194 WeakPolarHBondContact CA-O 3.25Å; I172-H194 HydrophobicContact CG1-CB 4.22Å; I172-H194 HydrophobicContact CG2-CB 4.49Å; M173-H194 PolarHBondContact N-O 3.18Å; H194-I196 HydrophobicContact CB-CD1 4.3Å; H194-K218 CarbonylContact C-O 3.47Å; H194-K218 WeakPolarHBondContact CA-O 3.43Å; H194-Y220 HydrophobicContact CB-CE2 4.43Å; H194-Y220 AromaticContact ND1-CE2 3.63Å
195I94.9Very high79.2Confident0 Ų048.7 Ų48.70%029%0.289CS..EExtended strand (participates in β ladder)trans-116.5132.5166.2-61176.6000108.8M173 C175 A181 I184 T185 L192 V217 K218 I219 Y220M173-I195 HydrophobicContact CB-CG1 4.49Å; M173-I195 CarbonylContact O-C 3.55Å; M173-I195 VanDerWaalsContact O-CA 3.22Å; M173-I195 WeakPolarHBondContact O-CA 3.27Å; C175-I195 HydrophobicContact CB-CG2 4.26Å; A181-I195 HydrophobicContact CB-CD1 4.41Å; A181-I195 HydrophobicContact CB-CG2 3.65Å; I184-I195 HydrophobicContact CG2-CD1 4.36Å; T185-I195 HydrophobicContact CG2-CD1 3.72Å; L192-I195 HydrophobicContact CD2-CD1 4.04Å; L192-I195 HydrophobicContact CD2-CG1 4.07Å; L192-I195 HydrophobicContact CG-CG1 4.45Å; I195-V217 HydrophobicContact CD1-CG1 3.86Å; I195-V217 HydrophobicContact CG1-CG1 3.77Å; I195-K218 PolarHBondContact N-O 3.14Å; I195-I219 HydrophobicContact CB-CG1 4.31Å; I195-I219 CarbonylContact O-C 3.6Å; I195-I219 VanDerWaalsContact O-CA 3.3Å; I195-I219 WeakPolarHBondContact O-CA 3.45Å; I195-Y220 PolarHBondContact O-N 3.24Å
196I95.7Very high77.1Confident0 Ų057.7 Ų57.70%033%0.328CS..EExtended strand (participates in β ladder)trans-116129.2177.6-60.184.3000109I172 M173 F174 C175 H194 Y220 Y222 F225I172-I196 HydrophobicContact CG2-CD1 3.34Å; M173-I196 PolarHBondContact O-N 3.39Å; F174-I196 CarbonylContact C-O 3.55Å; F174-I196 VanDerWaalsContact CA-O 3.28Å; F174-I196 WeakPolarHBondContact CA-O 3.36Å; F174-I196 HydrophobicContact CD1-CB 3.68Å; F174-I196 HydrophobicContact CD1-CG2 3.76Å; F174-I196 HydrophobicContact CE1-CB 3.66Å; F174-I196 HydrophobicContact CE1-CD1 4.49Å; F174-I196 HydrophobicContact CE1-CG1 4.15Å; F174-I196 HydrophobicContact CE1-CG2 3.56Å; F174-I196 HydrophobicContact CE2-CD1 4.37Å; F174-I196 HydrophobicContact CG-CB 4.31Å; F174-I196 HydrophobicContact CZ-CB 4.25Å; F174-I196 HydrophobicContact CZ-CD1 4.23Å; F174-I196 HydrophobicContact CZ-CG1 4.3Å; F174-I196 HydrophobicContact CZ-CG2 4.47Å; C175-I196 PolarHBondContact N-O 2.92Å; H194-I196 HydrophobicContact CB-CD1 4.3Å; I196-Y220 CarbonylContact C-O 3.55Å; I196-Y220 WeakPolarHBondContact CA-O 3.42Å; I196-Y222 HydrophobicContact CG2-CD2 4.06Å; I196-F225 HydrophobicContact CB-CB 4.46Å; I196-F225 HydrophobicContact CD1-CD2 4.36Å; I196-F225 HydrophobicContact CG1-CB 3.9Å; I196-F225 HydrophobicContact CG1-CD2 3.8Å; I196-F225 HydrophobicContact CG1-CG 3.84Å; I196-F225 HydrophobicContact CG2-CB 3.64Å; I196-F225 HydrophobicContact CG2-CD1 4.13Å; I196-F225 HydrophobicContact CG2-CG 3.89Å
197L94.6Very high75Confident4 Ų455.1 Ų55.12%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-92.9123.5179.6-58.7176.7000111.1C175 S177 I178 A181 I219 Y220 Y222C175-L197 HydrophobicContact CB-CD2 4.19Å; C175-L197 CarbonylContact O-C 3.58Å; C175-L197 WeakPolarHBondContact O-CA 3.21Å; S177-L197 WeakPolarHBondContact O-CD2 3.49Å; I178-L197 HydrophobicContact CB-CD1 4.17Å; I178-L197 HydrophobicContact CD1-CD1 3.72Å; A181-L197 HydrophobicContact CB-CD2 3.56Å; L197-I219 HydrophobicContact CD1-CG2 3.93Å; L197-I219 HydrophobicContact CD2-CG2 4.38Å; L197-I219 HydrophobicContact CG-CG2 3.94Å; L197-Y220 PolarHBondContact N-O 2.75Å; L197-Y222 WeakPolarHBondContact O-CA 3.13Å; L197-Y222 VanDerWaalsContact O-CB 3.26Å; L197-Y222 WeakPolarHBondContact O-CB 3.37Å; L197-Y222 PolarHBondContact O-N 3.35Å
198F92.5Very high72.8Confident7 Ų757.9 Ų57.93%0.03134%0.34CS..  trans-65.4156.6174.6-76.1-49.8000112.7I127 S129 Q134 V138 F174 C175 N200 S201 Y222I127-F198 HydrophobicContact CG2-CE2 3.98Å; I127-F198 HydrophobicContact CG2-CZ 4.34Å; S129-F198 WeakPolarHBondContact OG-CD2 3.47Å; Q134-F198 HydrophobicContact CB-CD1 3.35Å; Q134-F198 HydrophobicContact CB-CE1 3.39Å; Q134-F198 HydrophobicContact CB-CG 4.21Å; Q134-F198 HydrophobicContact CB-CZ 4.25Å; Q134-F198 HydrophobicContact CG-CD1 4.13Å; V138-F198 HydrophobicContact CG2-CE1 3.91Å; V138-F198 HydrophobicContact CG2-CZ 4.18Å; F174-F198 HydrophobicContact CB-CD2 4.44Å; F174-F198 HydrophobicContact CB-CE1 4.29Å; F174-F198 HydrophobicContact CB-CE2 3.76Å; F174-F198 HydrophobicContact CB-CZ 3.67Å; F174-F198 HydrophobicContact CD1-CD1 4.18Å; F174-F198 AromaticContact CD1-CE1 3.57Å; F174-F198 HydrophobicContact CD1-CE1 3.57Å; F174-F198 AromaticContact CD1-CZ 3.79Å; F174-F198 HydrophobicContact CD1-CZ 3.79Å; F174-F198 HydrophobicContact CE1-CE1 4.29Å; F174-F198 HydrophobicContact CG-CE1 4.21Å; F174-F198 AromaticContact CG-CZ 3.94Å; F174-F198 HydrophobicContact CG-CZ 3.94Å; C175-F198 PolarHBondContact O-N 3.27Å; F198-N200 PolarHBondContact O-N 2.99Å; F198-S201 PolarHBondContact O-N 3.1Å; F198-Y222 AromaticContact CD1-CD2 3.8Å; F198-Y222 HydrophobicContact CD1-CD2 3.8Å; F198-Y222 AromaticContact CD1-CE2 3.86Å; F198-Y222 HydrophobicContact CD1-CE2 3.86Å; F198-Y222 HydrophobicContact CE1-CD2 4.2Å; F198-Y222 AromaticContact CE1-CE2 3.84Å; F198-Y222 HydrophobicContact CE1-CE2 3.84Å
199P79.1Confident70.9Confident58 Ų5862.6 Ų62.638%0.37737%0.373SS..THydrogen-bonded Turntrans-64.27.7-170.5-23.834.5000118.4Q134 Y222Q134-P199 HydrophobicContact CG-CG 4.05Å; P199-Y222 HydrophobicContact CG-CD1 3.75Å; P199-Y222 HydrophobicContact CG-CG 3.92Å
200N66.3Low69Low114 Ų11463 Ų6361%0.6137%0.374SS*.THydrogen-bonded Turntrans-12314.9179.6-77.3-19.2000113.1F198 S202F198-N200 PolarHBondContact O-N 2.99Å; N200-S202 PolarHBondContact O-N 3.4Å
201S54.7Low67.3Low28 Ų2862.3 Ų62.320%0.19638%0.379CS..SBendtrans-61.5122.6167.162.10000108.1D176 F198 T203D176-S201 WeakPolarHBondContact O-CA 3.44Å; D176-S201 VanDerWaalsContact O-CB 3.24Å; D176-S201 WeakPolarHBondContact O-CB 3.1Å; D176-S201 PolarHBondContact O-N 2.7Å; F198-S201 PolarHBondContact O-N 3.1Å; S201-T203 PolarHBondContact O-N 3.34Å
202S43.4Very low65.6Low102 Ų10260.9 Ų60.971%0.71337%0.371SS*.SBendtrans-70.137.1-159.134.80000116.5N200N200-S202 PolarHBondContact O-N 3.4Å
203T43.2Very low63.9Low69 Ų6966.3 Ų66.342%0.42340%0.404SS..  trans-137.5110174.349.90000110.9S201 A205S201-T203 PolarHBondContact O-N 3.34Å; T203-A205 PolarHBondContact O-N 3.01Å
204N42.2Very low62.6Low184 Ų18465.3 Ų65.398%0.98440%0.401SS*.  trans-62.212.1162.7-80.3-27.2000113.6
205A43.3Very low61.2Low64 Ų6469.6 Ų69.653%0.52943%0.433SS..SBendtrans-85.2111.916700000106.5T203 P207T203-A205 PolarHBondContact O-N 3.01Å; A205-P207 WeakPolarHBondContact O-CD 3.42Å
206K46Very low60.6Low190 Ų19074.2 Ų74.283%0.82646%0.457SS*.  trans-45.2115.6160.1-75.8-173173.1-167.80106.6A208K206-A208 PolarHBondContact O-N 3.23Å
207P46.7Very low60.3Low30 Ų3074.3 Ų74.320%0.19546%0.457CS..  trans-6989.4173.626.3-27.4000105.7A205 S209 V210 D221A205-P207 WeakPolarHBondContact O-CD 3.42Å; P207-S209 VanDerWaalsContact C-N 3.3Å; P207-S209 PolarHBondContact O-N 3.44Å; P207-V210 HydrophobicContact CB-CB 3.97Å; P207-V210 HydrophobicContact CB-CG2 3.18Å; P207-D221 HydrophobicContact CG-CB 4.43Å
208A45Very low60.1Low85 Ų8579.9 Ų79.970%0.70248%0.481SS*.THydrogen-bonded Turntrans-54.499.5171.900000107K206 V210K206-A208 PolarHBondContact O-N 3.23Å; A208-V210 VanDerWaalsContact C-N 3.31Å; A208-V210 PolarHBondContact O-N 3.44Å
209S51Low60.1Low106 Ų10680.2 Ų80.274%0.74148%0.483SS*.THydrogen-bonded Turntrans25.168.2-173.962.50000111.8P207 S211P207-S209 VanDerWaalsContact C-N 3.3Å; P207-S209 PolarHBondContact O-N 3.44Å; S209-S211 PolarHBondContact O-N 2.81Å
210V51.4Low60.7Low37 Ų3779.1 Ų79.122%0.22447%0.472CS..  trans-59.3107.9-174.2165.80000107.9I178 P207 A208 S212I178-V210 HydrophobicContact CD1-CB 4.48Å; I178-V210 HydrophobicContact CD1-CG1 4.04Å; P207-V210 HydrophobicContact CB-CB 3.97Å; P207-V210 HydrophobicContact CB-CG2 3.18Å; A208-V210 VanDerWaalsContact C-N 3.31Å; A208-V210 PolarHBondContact O-N 3.44Å; V210-S212 PolarHBondContact O-N 2.75Å
211S52.2Low61.9Low104 Ų10475.5 Ų75.573%0.72745%0.452SS*.  trans-57.2114.1178.451.40000107.3S209S209-S211 PolarHBondContact O-N 2.81Å
212S56.5Low63.7Low18 Ų1874.5 Ų74.513%0.12645%0.445CS..  trans-54.9146167.148.20000109.6V210 N214 V217V210-S212 PolarHBondContact O-N 2.75Å; S212-N214 WeakPolarHBondContact CB-O 3.4Å; S212-N214 PolarHBondContact O-N 2.84Å; S212-N214 VanDerWaalsContact OG-C 3.22Å; S212-N214 PolarHBondContact OG-O 2.86Å; S212-V217 WeakPolarHBondContact CB-O 3.49Å; S212-V217 PolarHBondContact OG-O 3.16Å
213V58.6Low66Low114 Ų11474.9 Ų74.969%0.69144%0.435SS*.SBendtrans-61.5-31.4171.5-175.20000109.6T186T186-V213 HydrophobicContact CG2-CG2 4.47Å
214N63.2Low68.4Low40 Ų4074.7 Ų74.721%0.21443%0.429CS..SBendtrans-104.3104.5169.1-178.7-6.9000110.8T185 S212 L216 V217T185-N214 WeakPolarHBondContact O-CB 3.36Å; S212-N214 WeakPolarHBondContact CB-O 3.4Å; S212-N214 PolarHBondContact O-N 2.84Å; S212-N214 VanDerWaalsContact OG-C 3.22Å; S212-N214 PolarHBondContact OG-O 2.86Å; N214-L216 PolarHBondContact O-N 2.97Å; N214-L216 WeakPolarHBondContact OD1-CB 3.36Å; N214-L216 WeakPolarHBondContact OD1-CG 3.33Å; N214-L216 PolarHBondContact OD1-N 3.04Å; N214-V217 PolarHBondContact O-N 2.88Å
215S65.3Low70.9Confident108 Ų10865.9 Ų65.976%0.75538%0.382SS*.THydrogen-bonded Turntrans-50.7-12.6-178.463.30000116.6
216L81.2Confident73.3Confident97 Ų9764 Ų6451%0.50836%0.363SS..THydrogen-bonded Turntrans-80.3-27.7177.8-60.6174.7000113.8N190 N214N190-L216 WeakPolarHBondContact OD1-CD1 3.31Å; N214-L216 PolarHBondContact O-N 2.97Å; N214-L216 WeakPolarHBondContact OD1-CB 3.36Å; N214-L216 WeakPolarHBondContact OD1-CG 3.33Å; N214-L216 PolarHBondContact OD1-N 3.04Å
217V89.7Confident75.6Confident1 Ų162.6 Ų62.61%0.00636%0.359CS..SBendtrans-94.9123-179.4-169.20000109.3T185 L192 I195 S212 N214T185-V217 HydrophobicContact CG2-CB 4.07Å; T185-V217 HydrophobicContact CG2-CG1 4.06Å; T185-V217 HydrophobicContact CG2-CG2 4.48Å; L192-V217 HydrophobicContact CD2-CG1 4.48Å; L192-V217 HydrophobicContact CG-CG1 4.31Å; L192-V217 WeakPolarHBondContact O-CG2 3.23Å; I195-V217 HydrophobicContact CD1-CG1 3.86Å; I195-V217 HydrophobicContact CG1-CG1 3.77Å; S212-V217 WeakPolarHBondContact CB-O 3.49Å; S212-V217 PolarHBondContact OG-O 3.16Å; N214-V217 PolarHBondContact O-N 2.88Å
218K91Very high77.7Confident121 Ų12164.3 Ų64.353%0.52636%0.364SS..EExtended strand (participates in β ladder)trans-93.8133.2174.7-61.9-178.7-175.3175.60110.2Q193 H194 I195 Y220Q193-K218 PolarHBondContact O-N 3.27Å; H194-K218 CarbonylContact C-O 3.47Å; H194-K218 WeakPolarHBondContact CA-O 3.43Å; I195-K218 PolarHBondContact N-O 3.14Å; K218-Y220 HydrophobicContact CB-CE2 3.73Å; K218-Y220 WeakPolarHBondContact CD-OH 3.39Å
219I91.5Very high79.8Confident15 Ų1563.1 Ų63.18%0.07735%0.346CS..EExtended strand (participates in β ladder)trans-105.5129.6175.5-53.6-179.5000108.4I178 A181 Q182 T185 I195 L197I178-I219 HydrophobicContact CD1-CD1 4.37Å; I178-I219 HydrophobicContact CD1-CG2 4.29Å; A181-I219 HydrophobicContact CB-CD1 4.34Å; Q182-I219 HydrophobicContact CG-CD1 4.45Å; T185-I219 HydrophobicContact CG2-CD1 4.18Å; I195-I219 HydrophobicContact CB-CG1 4.31Å; I195-I219 CarbonylContact O-C 3.6Å; I195-I219 VanDerWaalsContact O-CA 3.3Å; I195-I219 WeakPolarHBondContact O-CA 3.45Å; L197-I219 HydrophobicContact CD1-CG2 3.93Å; L197-I219 HydrophobicContact CD2-CG2 4.38Å; L197-I219 HydrophobicContact CG-CG2 3.94Å
220Y92.2Very high81.3Confident34 Ų3462.2 Ų62.213%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-120.5146.6175.8-57.4-78.9000110H194 I195 I196 L197 K218 F228H194-Y220 HydrophobicContact CB-CE2 4.43Å; H194-Y220 AromaticContact ND1-CE2 3.63Å; I195-Y220 PolarHBondContact O-N 3.24Å; I196-Y220 CarbonylContact C-O 3.55Å; I196-Y220 WeakPolarHBondContact CA-O 3.42Å; L197-Y220 PolarHBondContact N-O 2.75Å; K218-Y220 HydrophobicContact CB-CE2 3.73Å; K218-Y220 WeakPolarHBondContact CD-OH 3.39Å; Y220-F228 AromaticContact CD1-CE2 3.88Å; Y220-F228 HydrophobicContact CD1-CE2 3.88Å; Y220-F228 HydrophobicContact CD1-CZ 4.32Å; Y220-F228 AromaticContact CE1-CE2 3.65Å; Y220-F228 HydrophobicContact CE1-CE2 3.65Å; Y220-F228 AromaticContact CE1-CZ 3.63Å; Y220-F228 HydrophobicContact CE1-CZ 3.63Å; Y220-F228 HydrophobicContact CE2-CE2 4.34Å; Y220-F228 HydrophobicContact CG-CE2 4.31Å; Y220-F228 AromaticContact CZ-CE2 3.89Å; Y220-F228 AromaticContact CZ-CZ 3.75Å
221D91.2Very high82.6Confident38 Ų3863.2 Ų63.220%0.20335%0.354CS..EExtended strand (participates in β ladder)trans-72.8162.4160.17671.5000111.2P207 E223 E224 F225P207-D221 HydrophobicContact CG-CB 4.43Å; D221-E223 VanDerWaalsContact C-N 3.28Å; D221-E223 PolarHBondContact O-N 2.88Å; D221-E223 WeakPolarHBondContact OD1-CA 3.2Å; D221-E223 WeakPolarHBondContact OD1-CB 3.44Å; D221-E223 PolarHBondContact OD1-N 2.87Å; D221-E224 PolarHBondContact N-OE2 3.15Å; D221-E224 PolarHBondContact O-N 3.12Å; D221-E224 PolarHBondContact OD1-N 2.69Å; D221-E224 WeakPolarHBondContact OD2-CG 3.11Å; D221-F225 WeakPolarHBondContact O-CB 3.34Å; D221-F225 PolarHBondContact O-N 3.43Å
222Y93.6Very high83.5Confident8 Ų864.9 Ų64.93%0.03135%0.35CS..Hα-helixtrans-60.1-38.2-177-166-107.8000112.6I107 Q134 V138 F174 I196 L197 F198 P199 F225 L226I107-Y222 WeakPolarHBondContact CD1-OH 3.35Å; Q134-Y222 HydrophobicContact CB-CE2 4.42Å; Q134-Y222 HydrophobicContact CG-CE1 4.15Å; V138-Y222 HydrophobicContact CG2-CE2 4.33Å; F174-Y222 HydrophobicContact CD1-CE2 4.48Å; F174-Y222 HydrophobicContact CE1-CD2 4.24Å; F174-Y222 HydrophobicContact CE1-CE2 4.02Å; I196-Y222 HydrophobicContact CG2-CD2 4.06Å; L197-Y222 WeakPolarHBondContact O-CA 3.13Å; L197-Y222 VanDerWaalsContact O-CB 3.26Å; L197-Y222 WeakPolarHBondContact O-CB 3.37Å; L197-Y222 PolarHBondContact O-N 3.35Å; F198-Y222 AromaticContact CD1-CD2 3.8Å; F198-Y222 HydrophobicContact CD1-CD2 3.8Å; F198-Y222 AromaticContact CD1-CE2 3.86Å; F198-Y222 HydrophobicContact CD1-CE2 3.86Å; F198-Y222 HydrophobicContact CE1-CD2 4.2Å; F198-Y222 AromaticContact CE1-CE2 3.84Å; F198-Y222 HydrophobicContact CE1-CE2 3.84Å; P199-Y222 HydrophobicContact CG-CD1 3.75Å; P199-Y222 HydrophobicContact CG-CG 3.92Å; Y222-F225 HydrophobicContact CD2-CD1 4.32Å; Y222-F225 HydrophobicContact CE2-CD1 4.32Å; Y222-F225 WeakPolarHBondContact O-CB 3.34Å; Y222-F225 PolarHBondContact O-N 3.37Å; Y222-L226 HydrophobicContact CD1-CD1 4.01Å; Y222-L226 HydrophobicContact CD1-CG 4.3Å; Y222-L226 HydrophobicContact CE1-CD1 3.77Å; Y222-L226 HydrophobicContact CE1-CD2 4.3Å; Y222-L226 HydrophobicContact CE1-CG 4.17Å; Y222-L226 WeakPolarHBondContact O-CG 3.3Å; Y222-L226 PolarHBondContact O-N 2.88Å; Y222-L226 VanDerWaalsContact O-N 3.07Å
223E92Very high84Confident110 Ų11072.5 Ų72.551%0.51439%0.388SS..Hα-helixtrans-74.3-41.8-177.7-58.8-61.3168.300110.6D221 F225 L226 E227D221-E223 VanDerWaalsContact C-N 3.28Å; D221-E223 PolarHBondContact O-N 2.88Å; D221-E223 WeakPolarHBondContact OD1-CA 3.2Å; D221-E223 WeakPolarHBondContact OD1-CB 3.44Å; D221-E223 PolarHBondContact OD1-N 2.87Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 PolarHBondContact O-N 3.44Å; E223-L226 WeakPolarHBondContact O-CB 3.27Å; E223-L226 PolarHBondContact O-N 2.86Å; E223-E227 PolarHBondContact O-N 3.17Å
224E92.2Very high84.6Confident64 Ų6468.3 Ų68.330%0.29936%0.362SS..Hα-helixtrans-55.2-42.3168.3-81.2177.1173.500111.8D221 L226 E227D221-E224 PolarHBondContact N-OE2 3.15Å; D221-E224 PolarHBondContact O-N 3.12Å; D221-E224 PolarHBondContact OD1-N 2.69Å; D221-E224 WeakPolarHBondContact OD2-CG 3.11Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.1Å; E224-E227 WeakPolarHBondContact O-CB 3.25Å; E224-E227 PolarHBondContact O-N 3.16Å
225F94.6Very high84.5Confident0 Ų072.8 Ų72.80%040%0.395CS..Hα-helixtrans-60-42.1174.9159.1-104.8000111.7I107 A110 L111 L114 F174 I196 D221 Y222 E223 E227 F228I107-F225 HydrophobicContact CG2-CE1 4.13Å; I107-F225 HydrophobicContact CG2-CZ 4.17Å; A110-F225 HydrophobicContact CB-CD2 4.05Å; A110-F225 HydrophobicContact CB-CE1 4.02Å; A110-F225 HydrophobicContact CB-CE2 3.47Å; A110-F225 VanDerWaalsContact CB-CE2 3.47Å; A110-F225 HydrophobicContact CB-CZ 3.44Å; A110-F225 VanDerWaalsContact CB-CZ 3.44Å; A110-F225 VanDerWaalsContact CB-O 3.28Å; A110-F225 WeakPolarHBondContact CB-O 3.44Å; L111-F225 HydrophobicContact CD2-CE2 4.17Å; L111-F225 HydrophobicContact CD2-CZ 4.05Å; L111-F225 HydrophobicContact CG-CE2 4.41Å; L111-F225 HydrophobicContact CG-CZ 3.98Å; L114-F225 HydrophobicContact CD1-CD2 3.77Å; L114-F225 HydrophobicContact CD1-CE2 3.99Å; F174-F225 HydrophobicContact CE1-CD1 4.22Å; F174-F225 HydrophobicContact CE1-CE1 4.07Å; F174-F225 HydrophobicContact CE1-CZ 4.48Å; F174-F225 HydrophobicContact CZ-CD1 4.43Å; F174-F225 AromaticContact CZ-CE1 3.95Å; F174-F225 HydrophobicContact CZ-CE1 3.95Å; F174-F225 HydrophobicContact CZ-CE2 4.37Å; F174-F225 AromaticContact CZ-CZ 3.92Å; F174-F225 HydrophobicContact CZ-CZ 3.92Å; I196-F225 HydrophobicContact CB-CB 4.46Å; I196-F225 HydrophobicContact CD1-CD2 4.36Å; I196-F225 HydrophobicContact CG1-CB 3.9Å; I196-F225 HydrophobicContact CG1-CD2 3.8Å; I196-F225 HydrophobicContact CG1-CG 3.84Å; I196-F225 HydrophobicContact CG2-CB 3.64Å; I196-F225 HydrophobicContact CG2-CD1 4.13Å; I196-F225 HydrophobicContact CG2-CG 3.89Å; D221-F225 WeakPolarHBondContact O-CB 3.34Å; D221-F225 PolarHBondContact O-N 3.43Å; Y222-F225 HydrophobicContact CD2-CD1 4.32Å; Y222-F225 HydrophobicContact CE2-CD1 4.32Å; Y222-F225 WeakPolarHBondContact O-CB 3.34Å; Y222-F225 PolarHBondContact O-N 3.37Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 PolarHBondContact O-N 3.44Å; F225-E227 PolarHBondContact O-N 3.37Å; F225-F228 WeakPolarHBondContact O-CB 3.36Å; F225-F228 WeakPolarHBondContact O-CD2 3.36Å; F225-F228 PolarHBondContact O-N 3.32Å
226L94.2Very high84.6Confident25 Ų2569.1 Ų69.113%0.13137%0.368CS..Hα-helixtrans-66.8-22178.6-64.6-179000112.9V106 I107 Y222 E223 E224 F228 N229V106-L226 HydrophobicContact CG1-CB 4.17Å; V106-L226 HydrophobicContact CG1-CD2 3.87Å; V106-L226 HydrophobicContact CG1-CG 4.46Å; I107-L226 HydrophobicContact CG1-CD2 3.79Å; Y222-L226 HydrophobicContact CD1-CD1 4.01Å; Y222-L226 HydrophobicContact CD1-CG 4.3Å; Y222-L226 HydrophobicContact CE1-CD1 3.77Å; Y222-L226 HydrophobicContact CE1-CD2 4.3Å; Y222-L226 HydrophobicContact CE1-CG 4.17Å; Y222-L226 WeakPolarHBondContact O-CG 3.3Å; Y222-L226 PolarHBondContact O-N 2.88Å; Y222-L226 VanDerWaalsContact O-N 3.07Å; E223-L226 WeakPolarHBondContact O-CB 3.27Å; E223-L226 PolarHBondContact O-N 2.86Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.1Å; L226-F228 PolarHBondContact O-N 3.05Å; L226-N229 WeakPolarHBondContact O-CB 3.41Å; L226-N229 PolarHBondContact O-N 2.88Å; L226-N229 VanDerWaalsContact O-N 3.13Å
227E93.6Very high84Confident159 Ų15972.3 Ų72.374%0.74338%0.38SS*.Hα-helixtrans-67.7-18.9174.9-65.2-178.7177.100113.3E223 E224 F225 N229E223-E227 PolarHBondContact O-N 3.17Å; E224-E227 WeakPolarHBondContact O-CB 3.25Å; E224-E227 PolarHBondContact O-N 3.16Å; F225-E227 PolarHBondContact O-N 3.37Å; E227-N229 PolarHBondContact O-N 2.9Å
228F92.1Very high83.3Confident67 Ų6777.2 Ų77.229%0.29441%0.41SS..THydrogen-bonded Turntrans-69.2-6.7171-71.2-76.7000113.6A110 A113 L114 Y220 F225 L226 T230A110-F228 HydrophobicContact CB-CB 4.14Å; A113-F228 HydrophobicContact CB-CB 4.07Å; A113-F228 WeakPolarHBondContact CB-O 3.47Å; L114-F228 HydrophobicContact CD1-CD2 4.38Å; L114-F228 HydrophobicContact CD2-CD1 3.99Å; L114-F228 HydrophobicContact CD2-CD2 4.08Å; L114-F228 HydrophobicContact CD2-CE1 3.93Å; L114-F228 HydrophobicContact CD2-CE2 4.03Å; L114-F228 HydrophobicContact CD2-CG 4.07Å; L114-F228 HydrophobicContact CD2-CZ 3.95Å; L114-F228 HydrophobicContact CG-CD2 4.34Å; L114-F228 HydrophobicContact CG-CG 4.33Å; Y220-F228 AromaticContact CD1-CE2 3.88Å; Y220-F228 HydrophobicContact CD1-CE2 3.88Å; Y220-F228 HydrophobicContact CD1-CZ 4.32Å; Y220-F228 AromaticContact CE1-CE2 3.65Å; Y220-F228 HydrophobicContact CE1-CE2 3.65Å; Y220-F228 AromaticContact CE1-CZ 3.63Å; Y220-F228 HydrophobicContact CE1-CZ 3.63Å; Y220-F228 HydrophobicContact CE2-CE2 4.34Å; Y220-F228 HydrophobicContact CG-CE2 4.31Å; Y220-F228 AromaticContact CZ-CE2 3.89Å; Y220-F228 AromaticContact CZ-CZ 3.75Å; F225-F228 WeakPolarHBondContact O-CB 3.36Å; F225-F228 WeakPolarHBondContact O-CD2 3.36Å; F225-F228 PolarHBondContact O-N 3.32Å; L226-F228 PolarHBondContact O-N 3.05Å; F228-T230 PolarHBondContact O-N 3.1Å; F228-T230 VanDerWaalsContact O-N 3.12Å
229N88.3Confident83.3Confident60 Ų6072 Ų7232%0.32139%0.389SS..  trans-60.9112.1172.6169.336.7000110.9V106 S109 L226 E227 G231V106-N229 HydrophobicContact CG1-CB 3.83Å; S109-N229 WeakPolarHBondContact CB-OD1 3.47Å; S109-N229 WeakPolarHBondContact OG-CA 3.44Å; S109-N229 PolarHBondContact OG-OD1 2.66Å; L226-N229 WeakPolarHBondContact O-CB 3.41Å; L226-N229 PolarHBondContact O-N 2.88Å; L226-N229 VanDerWaalsContact O-N 3.13Å; E227-N229 PolarHBondContact O-N 2.9Å; N229-G231 VanDerWaalsContact C-N 3.28Å; N229-G231 PolarHBondContact O-N 2.96Å; N229-G231 WeakPolarHBondContact OD1-CA 3.43Å; N229-G231 PolarHBondContact OD1-N 2.59Å
230T83.6Confident83.4Confident86 Ų8677.4 Ų77.453%0.52841%0.412SS..  trans-80.7-10.2177.761.80000112.9S109 F228 E232S109-T230 PolarHBondContact OG-N 2.87Å; S109-T230 PolarHBondContact OG-OG1 3.44Å; F228-T230 PolarHBondContact O-N 3.1Å; F228-T230 VanDerWaalsContact O-N 3.12Å; T230-E232 PolarHBondContact O-N 3.36Å; T230-E232 WeakPolarHBondContact OG1-CB 3.36Å; T230-E232 PolarHBondContact OG1-N 3.19Å
231G78Confident83.6Confident58 Ų5877.4 Ų77.460%0.59842%0.416SS*.  trans73.1-1.4-170.800000114N229N229-G231 VanDerWaalsContact C-N 3.28Å; N229-G231 PolarHBondContact O-N 2.96Å; N229-G231 WeakPolarHBondContact OD1-CA 3.43Å; N229-G231 PolarHBondContact OD1-N 2.59Å
232E71.8Confident83.8Confident139 Ų13980.6 Ų80.665%0.6543%0.43SS*.  trans-68.9135.8176.5-68.9-176160.300111T230 I234T230-E232 PolarHBondContact O-N 3.36Å; T230-E232 WeakPolarHBondContact OG1-CB 3.36Å; T230-E232 PolarHBondContact OG1-N 3.19Å; E232-I234 PolarHBondContact O-N 2.83Å
233L67.3Low83.8Confident178 Ų17882.3 Ų82.393%0.93244%0.443SS*.  trans-66.6103.1169.9-88158000108.8C235L233-C235 PolarHBondContact O-N 3.15Å; L233-C235 VanDerWaalsContact O-N 3.09Å
234I70.8Confident84Confident26 Ų2678 Ų7813%0.13342%0.423CS..  trans-73108.1173.4-54.3160.8000108.7R108 H112 E232 T236R108-I234 HydrophobicContact CB-CD1 4.01Å; R108-I234 PolarHBondContact NH2-O 3.04Å; R108-I234 WeakPolarHBondContact O-CD1 3.18Å; H112-I234 HydrophobicContact CB-CD1 3.39Å; H112-I234 HydrophobicContact CB-CG1 4.01Å; E232-I234 PolarHBondContact O-N 2.83Å; I234-T236 VanDerWaalsContact C-N 3.28Å; I234-T236 HydrophobicContact CG2-CG2 3.41Å; I234-T236 VanDerWaalsContact CG2-CG2 3.41Å; I234-T236 PolarHBondContact O-N 3.42Å; I234-T236 VanDerWaalsContact O-N 3.14Å
235C60.7Low84.3Confident135 Ų13574.9 Ų74.991%0.91241%0.409SS*.  trans-83.476.6168-145.80000108.7L233L233-C235 PolarHBondContact O-N 3.15Å; L233-C235 VanDerWaalsContact O-N 3.09Å
236T66.9Low84.4Confident30 Ų3074.9 Ų74.918%0.18441%0.409CS..PPolyproline II helixtrans-81.8139.1165.745.50000108.9R108 F144 S145 I234 T238R108-T236 PolarHBondContact NH2-OG1 3.47Å; F144-T236 PolarHBondContact O-OG1 3.28Å; F144-T236 VanDerWaalsContact O-OG1 3.07Å; S145-T236 WeakPolarHBondContact CA-OG1 3.49Å; S145-T236 WeakPolarHBondContact O-CG2 3.05Å; I234-T236 VanDerWaalsContact C-N 3.28Å; I234-T236 HydrophobicContact CG2-CG2 3.41Å; I234-T236 VanDerWaalsContact CG2-CG2 3.41Å; I234-T236 PolarHBondContact O-N 3.42Å; I234-T236 VanDerWaalsContact O-N 3.14Å; T236-T238 PolarHBondContact O-N 3.1Å
237E69.4Low84.6Confident165 Ų16573.7 Ų73.777%0.77140%0.403SS*.PPolyproline II helixtrans-56.5131.6168.8-70.4-169.3170.300109.3
238T75.6Confident84.7Confident104 Ų10466.1 Ų66.164%0.63837%0.367SS*.PPolyproline II helixtrans-57.3135.4172.4-38.80000108.5T236T236-T238 PolarHBondContact O-N 3.1Å
239P90.3Very high84.8Confident11 Ų1163.2 Ų63.27%0.07135%0.354CS..PPolyproline II helixtrans-57.9148.4179.723.4-34.5000111.3T64 H264T64-P239 HydrophobicContact CG2-CG 4.34Å; T64-P239 VanDerWaalsContact CG2-O 3.24Å; T64-P239 WeakPolarHBondContact CG2-O 3.49Å; P239-H264 WeakPolarHBondContact CB-NE2 3.44Å
240K93.3Very high84.5Confident128 Ų12861.5 Ų61.556%0.55735%0.346SS*.PPolyproline II helixtrans-86.1157.6170.7-64.1176.5-175.31710109.4E242 S243K240-E242 PolarHBondContact O-N 2.99Å; K240-E242 VanDerWaalsContact O-N 3.16Å; K240-S243 PolarHBondContact N-OG 3.3Å; K240-S243 VanDerWaalsContact O-CB 3.24Å; K240-S243 WeakPolarHBondContact O-CB 3.49Å; K240-S243 PolarHBondContact O-N 3.18Å; K240-S243 PolarHBondContact O-OG 3.39Å
241P95.7Very high83.8Confident35 Ų3561.9 Ų61.923%0.22735%0.352CS..THydrogen-bonded Turntrans-54.7-34.2176.7-26.736.1000113.3S243 H264 Q265P241-S243 VanDerWaalsContact C-N 3.33Å; P241-H264 PolarHBondContact O-N 3.1Å; P241-Q265 HydrophobicContact CB-CB 4Å; P241-Q265 VanDerWaalsContact O-CB 3.28Å; P241-Q265 WeakPolarHBondContact O-CB 3.39Å; P241-Q265 PolarHBondContact O-N 2.73Å
242E95.6Very high82.9Confident104 Ų10459.9 Ų59.949%0.48633%0.331SS..THydrogen-bonded Turntrans-81-12.7-179.4-55.971.7-152.700113.1K240 T263K240-E242 PolarHBondContact O-N 2.99Å; K240-E242 VanDerWaalsContact O-N 3.16Å; E242-T263 VanDerWaalsContact O-CG2 3.3Å; E242-T263 WeakPolarHBondContact O-CG2 3.28Å
243S94.8Very high82Confident45 Ų4556.4 Ų56.432%0.31532%0.323SS..SBendtrans-65.4146.6176.4-60.30000110.9K240 P241 F245 T263 H264K240-S243 PolarHBondContact N-OG 3.3Å; K240-S243 VanDerWaalsContact O-CB 3.24Å; K240-S243 WeakPolarHBondContact O-CB 3.49Å; K240-S243 PolarHBondContact O-N 3.18Å; K240-S243 PolarHBondContact O-OG 3.39Å; P241-S243 VanDerWaalsContact C-N 3.33Å; S243-F245 PolarHBondContact O-N 3.03Å; S243-T263 VanDerWaalsContact O-CA 3.23Å; S243-T263 WeakPolarHBondContact O-CA 3.26Å; S243-T263 WeakPolarHBondContact O-CB 3.36Å; S243-H264 PolarHBondContact O-CD2 2.66Å; S243-H264 PolarHBondContact O-N 2.95Å
244L96.4Very high81.6Confident18 Ų1852.7 Ų52.79%0.09431%0.307CS..EExtended strand (participates in β ladder)trans-65130175.1-68.8177.2000110.1T148 V247 K261 T263 Y495T148-L244 HydrophobicContact CG2-CB 3.78Å; T148-L244 WeakPolarHBondContact OG1-CB 3.36Å; T148-L244 PolarHBondContact OG1-O 2.91Å; L244-V247 HydrophobicContact CD1-CG2 4.42Å; L244-K261 HydrophobicContact CD2-CB 3.75Å; L244-K261 HydrophobicContact CD2-CG 4.1Å; L244-T263 HydrophobicContact CD2-CG2 4.35Å; L244-Y495 HydrophobicContact CD1-CD2 4.46Å
245F96.9Very high81.1Confident0 Ų054.4 Ų54.40%033%0.331CS..EExtended strand (participates in β ladder)trans-90.6-47167.3162.4-113000109.7V65 E139 T143 I149 S243 I262 H264 V267 L305V65-F245 HydrophobicContact CB-CD2 4.24Å; V65-F245 HydrophobicContact CB-CE2 4.35Å; V65-F245 HydrophobicContact CG1-CD2 4.33Å; V65-F245 HydrophobicContact CG1-CE2 3.93Å; V65-F245 HydrophobicContact CG1-CZ 4.47Å; V65-F245 HydrophobicContact CG2-CD2 4Å; V65-F245 HydrophobicContact CG2-CE2 4.28Å; V65-F245 HydrophobicContact CG2-CG 4.18Å; E139-F245 HydrophobicContact CG-CE2 4.06Å; E139-F245 HydrophobicContact CG-CZ 4.05Å; T143-F245 WeakPolarHBondContact OG1-CE2 3.19Å; I149-F245 HydrophobicContact CD1-CZ 4.41Å; I149-F245 WeakPolarHBondContact CG1-O 3.35Å; I149-F245 PolarHBondContact N-O 3.07Å; I149-F245 VanDerWaalsContact N-O 3.15Å; S243-F245 PolarHBondContact O-N 3.03Å; F245-I262 HydrophobicContact CD1-CG2 4.33Å; F245-I262 PolarHBondContact N-O 2.81Å; F245-H264 AromaticContact CD2-CE1 3.9Å; F245-V267 HydrophobicContact CD1-CG2 3.67Å; F245-V267 HydrophobicContact CE1-CG2 4.17Å; F245-V267 HydrophobicContact CG-CG2 4.36Å; F245-L305 HydrophobicContact CE1-CD1 4.35Å; F245-L305 HydrophobicContact CZ-CD1 4.15Å
246M97.6Very high81.6Confident0 Ų052.2 Ų52.20%031%0.31CS..EExtended strand (participates in β ladder)trans-147.6153.718069.8-179.7-48.600112.6I149 P151 C248 I262 I298 Q301I149-M246 HydrophobicContact CD1-CB 4.06Å; I149-M246 HydrophobicContact CG1-CB 3.62Å; I149-M246 VanDerWaalsContact O-CA 3.25Å; I149-M246 WeakPolarHBondContact O-CA 3.44Å; P151-M246 HydrophobicContact CG-CE 3.35Å; M246-C248 HydrophobicContact CE-CB 3.79Å; M246-C248 HydrophobicContact CG-CB 4.43Å; M246-C248 HydrophobicContact SD-CB 4.19Å; M246-I262 HydrophobicContact CG-CB 3.51Å; M246-I262 HydrophobicContact CG-CG1 3.85Å; M246-I262 HydrophobicContact CG-CG2 3.96Å; M246-I262 PolarHBondContact N-O 2.84Å; M246-I262 VanDerWaalsContact N-O 3.15Å; M246-I262 PolarHBondContact O-N 3.06Å; M246-I262 HydrophobicContact SD-CB 4.34Å; M246-I262 HydrophobicContact SD-CG1 4.26Å; M246-I262 HydrophobicContact SD-CG2 4.38Å; M246-I298 HydrophobicContact SD-CD1 3.86Å; M246-Q301 HydrophobicContact CE-CG 4.19Å; M246-Q301 HydrophobicContact SD-CG 4.22Å
247V97.9Very high82.5Confident0 Ų051.2 Ų51.20%030%0.303CS..EExtended strand (participates in β ladder)trans-10498.8161.7-177.40000108.1F124 T148 I149 V150 L244 Y249 V260 Y495F124-V247 HydrophobicContact CD1-CG2 4.48Å; F124-V247 HydrophobicContact CE1-CG2 3.71Å; F124-V247 HydrophobicContact CZ-CG2 4.49Å; T148-V247 HydrophobicContact CG2-CG2 4.09Å; I149-V247 PolarHBondContact O-N 3.08Å; V150-V247 HydrophobicContact CG2-CB 4.5Å; L244-V247 HydrophobicContact CD1-CG2 4.42Å; V247-Y249 HydrophobicContact CB-CE2 4.42Å; V247-Y249 HydrophobicContact CG1-CD2 4.08Å; V247-Y249 HydrophobicContact CG1-CE2 3.61Å; V247-Y249 PolarHBondContact O-N 2.99Å; V247-V260 WeakPolarHBondContact CA-O 3.47Å; V247-Y495 HydrophobicContact CG1-CG 4.27Å; V247-Y495 HydrophobicContact CG2-CD2 4.24Å; V247-Y495 HydrophobicContact CG2-CG 4.26Å
248C96Very high83.5Confident0 Ų045 Ų450%027%0.274CS..EExtended strand (participates in β ladder)trans-85101.6-175.9-178.50000110.3M246 V260 I262M246-C248 HydrophobicContact CE-CB 3.79Å; M246-C248 HydrophobicContact CG-CB 4.43Å; M246-C248 HydrophobicContact SD-CB 4.19Å; C248-V260 HydrophobicContact CB-CB 4.33Å; C248-V260 PolarHBondContact N-O 3.25Å; C248-V260 WeakPolarHBondContact O-CB 3.17Å; C248-V260 WeakPolarHBondContact O-CG2 3.29Å; C248-V260 PolarHBondContact O-N 3.14Å; C248-I262 HydrophobicContact CB-CG1 4.1Å
249Y93.3Very high84.5Confident5 Ų540.1 Ų40.12%0.0224%0.244CC..EExtended strand (participates in β ladder)trans-73.2135.4178.5-82-85.7000112.5V150 I164 Q167 T168 V247 P257 K258 G259V150-Y249 HydrophobicContact CG1-CD2 3.93Å; V150-Y249 HydrophobicContact CG1-CE2 3.72Å; I164-Y249 HydrophobicContact CB-CE1 4.48Å; I164-Y249 HydrophobicContact CB-CE2 4.18Å; I164-Y249 HydrophobicContact CD1-CD1 4.08Å; I164-Y249 HydrophobicContact CD1-CD2 4.04Å; I164-Y249 HydrophobicContact CD1-CE2 4.48Å; I164-Y249 HydrophobicContact CD1-CG 3.81Å; I164-Y249 HydrophobicContact CG1-CD1 3.68Å; I164-Y249 HydrophobicContact CG1-CD2 3.9Å; I164-Y249 HydrophobicContact CG1-CE1 3.62Å; I164-Y249 HydrophobicContact CG1-CE2 3.86Å; I164-Y249 HydrophobicContact CG1-CG 3.8Å; I164-Y249 HydrophobicContact CG2-CD2 3.99Å; I164-Y249 HydrophobicContact CG2-CE2 3.54Å; Q167-Y249 VanDerWaalsContact OE1-CE1 3.31Å; Q167-Y249 PolarHBondContact OE1-OH 3.42Å; T168-Y249 HydrophobicContact CG2-CE2 4.04Å; T168-Y249 WeakPolarHBondContact CG2-OH 3.5Å; V247-Y249 HydrophobicContact CB-CE2 4.42Å; V247-Y249 HydrophobicContact CG1-CD2 4.08Å; V247-Y249 HydrophobicContact CG1-CE2 3.61Å; V247-Y249 PolarHBondContact O-N 2.99Å; Y249-P257 HydrophobicContact CD1-CB 3.88Å; Y249-P257 HydrophobicContact CD1-CG 4.36Å; Y249-K258 WeakPolarHBondContact CA-O 3.15Å; Y249-K258 VanDerWaalsContact CD1-C 3.49Å; Y249-G259 VanDerWaalsContact CD1-CA 3.49Å; Y249-G259 VanDerWaalsContact CD1-N 3.34Å; Y249-G259 VanDerWaalsContact CE1-N 3.34Å
250T83.8Confident84.8Confident25 Ų2539.6 Ų39.615%0.15324%0.241CC..EExtended strand (participates in β ladder)trans-121.7147.9175.765.10000110.4G252 P257 K258 V260 S435T250-G252 PolarHBondContact O-N 3.29Å; T250-G252 VanDerWaalsContact O-N 3.08Å; T250-P257 CarbonylContact O-C 3.57Å; T250-P257 WeakPolarHBondContact O-CA 3.38Å; T250-K258 PolarHBondContact N-O 2.76Å; T250-K258 PolarHBondContact O-N 3.11Å; T250-K258 PolarHBondContact OG1-O 2.85Å; T250-V260 HydrophobicContact CG2-CG2 3.98Å; T250-S435 WeakPolarHBondContact CG2-OG 3.43Å
251S68.9Low85Confident94 Ų9435.8 Ų35.866%0.65722%0.224SC*.EExtended strand (participates in β ladder)trans-68.3105.1171.7560000109.1
252G58.5Low85.1Confident15 Ų1534.1 Ų34.116%0.15521%0.213CC..  trans-65.1159.8176.100000111.9T250 T254 G255 I256T250-G252 PolarHBondContact O-N 3.29Å; T250-G252 VanDerWaalsContact O-N 3.08Å; G252-T254 PolarHBondContact O-N 3.09Å; G252-T254 VanDerWaalsContact O-N 3.11Å; G252-G255 PolarHBondContact O-N 3.28Å; G252-I256 PolarHBondContact N-O 3.21Å
253S53.4Low85.2Confident67 Ų6729.2 Ų29.247%0.46919%0.19SC..THydrogen-bonded Turntrans-61.8-18.7175.455.20000113.6K532S253-K532 PolarHBondContact OG-NZ 2.85Å
254T58.5Low85.4Confident100 Ų10027.1 Ų27.161%0.61318%0.176SC*.THydrogen-bonded Turntrans-93.43.2178.753.10000113.2G252 I256G252-T254 PolarHBondContact O-N 3.09Å; G252-T254 VanDerWaalsContact O-N 3.11Å; T254-I256 PolarHBondContact O-N 2.96Å
255G59.2Low85.4Confident61 Ų6128.4 Ų28.463%0.62918%0.181SC*.SBendtrans82-26.2-175.800000114.5G252G252-G255 PolarHBondContact O-N 3.28Å
256I72.7Confident85.5Confident90 Ų9028.6 Ų28.646%0.46218%0.182SC..SBendtrans-72.8127.2173.9-57.6176.5000109.2T163 G252 T254T163-I256 HydrophobicContact CG2-CG2 4.17Å; G252-I256 PolarHBondContact N-O 3.21Å; T254-I256 PolarHBondContact O-N 2.96Å
257P85Confident85.5Confident8 Ų828.6 Ų28.65%0.05218%0.182CC..EExtended strand (participates in β ladder)trans-72.8137.5-178.332.6-37.5000111.1A160 I164 Y249 T250A160-P257 HydrophobicContact CB-CG 3.95Å; I164-P257 HydrophobicContact CD1-CG 4.33Å; I164-P257 HydrophobicContact CG1-CG 4.14Å; Y249-P257 HydrophobicContact CD1-CB 3.88Å; Y249-P257 HydrophobicContact CD1-CG 4.36Å; T250-P257 CarbonylContact O-C 3.57Å; T250-P257 WeakPolarHBondContact O-CA 3.38Å
258K91.2Very high85.4Confident36 Ų3628.7 Ų28.716%0.15718%0.183CC..EExtended strand (participates in β ladder)trans-107.5127176.8-58.2-171.1-177-1680110.2Y249 T250 V260 Y494 S500Y249-K258 WeakPolarHBondContact CA-O 3.15Å; Y249-K258 VanDerWaalsContact CD1-C 3.49Å; T250-K258 PolarHBondContact N-O 2.76Å; T250-K258 PolarHBondContact O-N 3.11Å; T250-K258 PolarHBondContact OG1-O 2.85Å; K258-V260 PolarHBondContact O-N 3.25Å; K258-Y494 HydrophobicContact CB-CD1 3.59Å; K258-Y494 HydrophobicContact CB-CE1 3.73Å; K258-Y494 HydrophobicContact CB-CG 4.21Å; K258-Y494 HydrophobicContact CD-CD1 4.32Å; K258-Y494 HydrophobicContact CD-CD2 4.39Å; K258-Y494 HydrophobicContact CD-CE1 4.04Å; K258-Y494 HydrophobicContact CD-CE2 4.14Å; K258-Y494 HydrophobicContact CD-CG 4.46Å; K258-S500 WeakPolarHBondContact CE-OG 3.31Å; K258-S500 PolarHBondContact NZ-OG 3.35Å
259G95Very high85.4Confident1 Ų132 Ų321%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-85.1103.3-178.300000111.5Y249 K261 Y494 Y495Y249-G259 VanDerWaalsContact CD1-CA 3.49Å; Y249-G259 VanDerWaalsContact CD1-N 3.34Å; Y249-G259 VanDerWaalsContact CE1-N 3.34Å; G259-K261 PolarHBondContact O-N 2.83Å; G259-Y494 CarbonylContact O-C 3.57Å; G259-Y494 VanDerWaalsContact O-CA 3.27Å; G259-Y494 WeakPolarHBondContact O-CA 3.38Å; G259-Y495 PolarHBondContact O-N 2.92Å
260V97.4Very high85.6Confident0 Ų031.8 Ų31.80%020%0.197CC..EExtended strand (participates in β ladder)trans-72.9123.8178-176.70000109.6V247 C248 T250 K258 I262 E436 T491 Y494V247-V260 WeakPolarHBondContact CA-O 3.47Å; C248-V260 HydrophobicContact CB-CB 4.33Å; C248-V260 PolarHBondContact N-O 3.25Å; C248-V260 WeakPolarHBondContact O-CB 3.17Å; C248-V260 WeakPolarHBondContact O-CG2 3.29Å; C248-V260 PolarHBondContact O-N 3.14Å; T250-V260 HydrophobicContact CG2-CG2 3.98Å; K258-V260 PolarHBondContact O-N 3.25Å; V260-I262 HydrophobicContact CG1-CD1 3.69Å; V260-I262 HydrophobicContact CG1-CG1 4.31Å; V260-I262 PolarHBondContact O-N 3.09Å; V260-E436 HydrophobicContact CG1-CB 4.39Å; V260-E436 HydrophobicContact CG1-CG 4.12Å; V260-E436 HydrophobicContact CG2-CG 3.85Å; V260-T491 HydrophobicContact CG1-CG2 4.12Å; V260-Y494 HydrophobicContact CG2-CD1 4.11Å; V260-Y494 HydrophobicContact CG2-CE1 3.91Å
261K97.8Very high86.2Confident47 Ų4730.6 Ų30.620%0.20419%0.189CC..EExtended strand (participates in β ladder)trans-72.6113.7174.5-68.3-177.3-66.9171.20109.8L244 G259 T491 Q492 G493 Y495L244-K261 HydrophobicContact CD2-CB 3.75Å; L244-K261 HydrophobicContact CD2-CG 4.1Å; G259-K261 PolarHBondContact O-N 2.83Å; K261-T491 WeakPolarHBondContact O-CB 3.37Å; K261-T491 PolarHBondContact O-OG1 3.46Å; K261-Q492 VanDerWaalsContact CE-O 3.29Å; K261-Q492 WeakPolarHBondContact CE-O 3.41Å; K261-Q492 PolarHBondContact NZ-O 3.36Å; K261-G493 WeakPolarHBondContact CB-O 3.23Å; K261-G493 VanDerWaalsContact CE-C 3.5Å; K261-G493 WeakPolarHBondContact CE-O 3.34Å; K261-G493 WeakPolarHBondContact CG-O 3.25Å; K261-G493 PolarHBondContact N-O 3.45Å; K261-Y495 HydrophobicContact CG-CD2 4.49Å
262I98.2Very high87.4Confident0 Ų026.7 Ų26.70%016%0.161CC..EExtended strand (participates in β ladder)trans-113.9117175.2-55.6-62.7000108.2F245 M246 C248 V260 C266 V267 I298 S435 C438F245-I262 HydrophobicContact CD1-CG2 4.33Å; F245-I262 PolarHBondContact N-O 2.81Å; M246-I262 HydrophobicContact CG-CB 3.51Å; M246-I262 HydrophobicContact CG-CG1 3.85Å; M246-I262 HydrophobicContact CG-CG2 3.96Å; M246-I262 PolarHBondContact N-O 2.84Å; M246-I262 VanDerWaalsContact N-O 3.15Å; M246-I262 PolarHBondContact O-N 3.06Å; M246-I262 HydrophobicContact SD-CB 4.34Å; M246-I262 HydrophobicContact SD-CG1 4.26Å; M246-I262 HydrophobicContact SD-CG2 4.38Å; C248-I262 HydrophobicContact CB-CG1 4.1Å; V260-I262 HydrophobicContact CG1-CD1 3.69Å; V260-I262 HydrophobicContact CG1-CG1 4.31Å; V260-I262 PolarHBondContact O-N 3.09Å; I262-C266 HydrophobicContact CG2-CB 4.11Å; I262-V267 HydrophobicContact CG2-CG2 3.71Å; I262-I298 HydrophobicContact CD1-CD1 4.46Å; I262-I298 HydrophobicContact CG1-CD1 4.34Å; I262-I298 HydrophobicContact CG2-CD1 4.41Å; I262-S435 WeakPolarHBondContact CD1-O 3.16Å; I262-C438 HydrophobicContact CD1-CB 4.48Å
263T97.8Very high89.1Confident1 Ų126.4 Ų26.41%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-89.1165.6176.967.20000111.1E242 S243 L244 Q265 C266 V267E242-T263 VanDerWaalsContact O-CG2 3.3Å; E242-T263 WeakPolarHBondContact O-CG2 3.28Å; S243-T263 VanDerWaalsContact O-CA 3.23Å; S243-T263 WeakPolarHBondContact O-CA 3.26Å; S243-T263 WeakPolarHBondContact O-CB 3.36Å; L244-T263 HydrophobicContact CD2-CG2 4.35Å; T263-Q265 PolarHBondContact O-N 2.69Å; T263-Q265 PolarHBondContact OG1-N 3.39Å; T263-C266 WeakPolarHBondContact O-CB 3.27Å; T263-C266 PolarHBondContact O-N 2.85Å; T263-C266 VanDerWaalsContact O-N 3.15Å; T263-C266 PolarHBondContact OG1-N 3.11Å; T263-C266 VanDerWaalsContact OG1-N 3.17Å; T263-C266 PolarHBondContact OG1-SG 2.88Å; T263-V267 PolarHBondContact O-N 3.32Å
264H97.5Very high90.9Very high1 Ų124.4 Ų24.41%0.00514%0.14CC..Hα-helixtrans-56.8-39.7171.1-76.4-71.8000112.4V65 P239 P241 S243 F245 C266 V267 V268V65-H264 WeakPolarHBondContact CB-ND1 3.43Å; V65-H264 WeakPolarHBondContact CG2-ND1 3.14Å; V65-H264 PolarHBondContact N-ND1 3.22Å; P239-H264 WeakPolarHBondContact CB-NE2 3.44Å; P241-H264 PolarHBondContact O-N 3.1Å; S243-H264 PolarHBondContact O-CD2 2.66Å; S243-H264 PolarHBondContact O-N 2.95Å; F245-H264 AromaticContact CD2-CE1 3.9Å; H264-C266 VanDerWaalsContact C-N 3.34Å; H264-C266 PolarHBondContact O-N 2.99Å; H264-V267 PolarHBondContact O-N 2.98Å; H264-V268 WeakPolarHBondContact O-CB 3.19Å; H264-V268 WeakPolarHBondContact O-CG2 3.13Å; H264-V268 PolarHBondContact O-N 3.22Å
265Q97.3Very high92.5Very high46 Ų4620.4 Ų20.422%0.21511%0.114CC..Hα-helixtrans-61.3-41.6175.9-177.8178.488.200111.4P241 T263 V267 V268 K269P241-Q265 HydrophobicContact CB-CB 4Å; P241-Q265 VanDerWaalsContact O-CB 3.28Å; P241-Q265 WeakPolarHBondContact O-CB 3.39Å; P241-Q265 PolarHBondContact O-N 2.73Å; T263-Q265 PolarHBondContact O-N 2.69Å; T263-Q265 PolarHBondContact OG1-N 3.39Å; Q265-V267 VanDerWaalsContact C-N 3.28Å; Q265-V267 PolarHBondContact O-N 3.42Å; Q265-V268 PolarHBondContact O-N 3.26Å; Q265-K269 HydrophobicContact CG-CG 3.9Å; Q265-K269 VanDerWaalsContact O-CB 3.29Å; Q265-K269 WeakPolarHBondContact O-CB 3.46Å; Q265-K269 WeakPolarHBondContact O-CG 3.45Å; Q265-K269 PolarHBondContact O-N 2.88Å
266C97.9Very high94Very high3 Ų318.8 Ų18.82%0.029%0.09CC..Hα-helixtrans-55.9-48.1177.9-65.30000110.9I262 T263 H264 T270 C438 C490I262-C266 HydrophobicContact CG2-CB 4.11Å; T263-C266 WeakPolarHBondContact O-CB 3.27Å; T263-C266 PolarHBondContact O-N 2.85Å; T263-C266 VanDerWaalsContact O-N 3.15Å; T263-C266 PolarHBondContact OG1-N 3.11Å; T263-C266 VanDerWaalsContact OG1-N 3.17Å; T263-C266 PolarHBondContact OG1-SG 2.88Å; H264-C266 VanDerWaalsContact C-N 3.34Å; H264-C266 PolarHBondContact O-N 2.99Å; C266-T270 PolarHBondContact O-N 2.93Å; C266-T270 VanDerWaalsContact O-N 3.11Å; C266-T270 PolarHBondContact O-OG1 3.44Å; C266-C438 HydrophobicContact CB-CB 4.03Å; C266-C490 PolarHBondContact SG-O 2.69Å; C266-C490 VanDerWaalsContact SG-O 3.39Å
267V98Very high94.9Very high0 Ų015.1 Ų15.10%07%0.071CC..Hα-helixtrans-65.1-51.7-179.6176.60000111.5V65 F245 I262 T263 H264 Q265 K269 T270 I271 M302 L305V65-V267 HydrophobicContact CG2-CB 3.9Å; V65-V267 HydrophobicContact CG2-CG1 3.69Å; V65-V267 HydrophobicContact CG2-CG2 4.26Å; F245-V267 HydrophobicContact CD1-CG2 3.67Å; F245-V267 HydrophobicContact CE1-CG2 4.17Å; F245-V267 HydrophobicContact CG-CG2 4.36Å; I262-V267 HydrophobicContact CG2-CG2 3.71Å; T263-V267 PolarHBondContact O-N 3.32Å; H264-V267 PolarHBondContact O-N 2.98Å; Q265-V267 VanDerWaalsContact C-N 3.28Å; Q265-V267 PolarHBondContact O-N 3.42Å; V267-K269 VanDerWaalsContact C-N 3.33Å; V267-K269 PolarHBondContact O-N 3.03Å; V267-T270 PolarHBondContact O-N 3.21Å; V267-I271 HydrophobicContact CG1-CD1 3.85Å; V267-I271 HydrophobicContact CG1-CG1 4.47Å; V267-I271 WeakPolarHBondContact O-CG1 3.45Å; V267-I271 PolarHBondContact O-N 3.08Å; V267-M302 HydrophobicContact CB-CE 4.23Å; V267-M302 HydrophobicContact CG1-CE 3.74Å; V267-M302 HydrophobicContact CG1-SD 4.16Å; V267-M302 HydrophobicContact CG2-CE 3.92Å; V267-L305 HydrophobicContact CG1-CD1 3.57Å
268V97.2Very high95Very high3 Ų317.1 Ų17.12%0.0188%0.081CC..Hα-helixtrans-61.9-42.4-176.6166.10000111.2L62 V68 H264 Q265 I271 Q272L62-V268 HydrophobicContact CB-CG1 3.73Å; L62-V268 HydrophobicContact CB-CG2 4.44Å; L62-V268 VanDerWaalsContact O-CG1 3.26Å; L62-V268 WeakPolarHBondContact O-CG1 3.45Å; V68-V268 HydrophobicContact CG2-CG2 4.47Å; H264-V268 WeakPolarHBondContact O-CB 3.19Å; H264-V268 WeakPolarHBondContact O-CG2 3.13Å; H264-V268 PolarHBondContact O-N 3.22Å; Q265-V268 PolarHBondContact O-N 3.26Å; V268-I271 PolarHBondContact O-N 3.09Å; V268-Q272 HydrophobicContact CG1-CG 4.41Å; V268-Q272 WeakPolarHBondContact O-CB 3.35Å; V268-Q272 VanDerWaalsContact O-CG 3.31Å; V268-Q272 WeakPolarHBondContact O-CG 3.44Å; V268-Q272 PolarHBondContact O-N 2.98Å
269K95.9Very high94.8Very high70 Ų7015.9 Ų15.930%0.3048%0.075SC..Hα-helixtrans-66.2-41.1178.1-67.4-70.8162.9-153.40111.6Q265 V267 Q272 S273 L488 N489Q265-K269 HydrophobicContact CG-CG 3.9Å; Q265-K269 VanDerWaalsContact O-CB 3.29Å; Q265-K269 WeakPolarHBondContact O-CB 3.46Å; Q265-K269 WeakPolarHBondContact O-CG 3.45Å; Q265-K269 PolarHBondContact O-N 2.88Å; V267-K269 VanDerWaalsContact C-N 3.33Å; V267-K269 PolarHBondContact O-N 3.03Å; K269-Q272 PolarHBondContact O-N 2.81Å; K269-S273 WeakPolarHBondContact O-CB 3.38Å; K269-S273 PolarHBondContact O-N 3.48Å; K269-S273 PolarHBondContact O-OG 2.84Å; K269-L488 HydrophobicContact CB-CB 4.4Å; K269-L488 HydrophobicContact CD-CB 4.39Å; K269-L488 HydrophobicContact CD-CD1 4.28Å; K269-L488 HydrophobicContact CG-CB 3.89Å; K269-N489 HydrophobicContact CB-CB 4.41Å
270T96.4Very high94.1Very high0 Ų018.8 Ų18.80%011%0.105CC..Hα-helixtrans-59.1-48.4172.5-580000111.4C266 V267 Q272 S273 L274 M302 C438 N489C266-T270 PolarHBondContact O-N 2.93Å; C266-T270 VanDerWaalsContact O-N 3.11Å; C266-T270 PolarHBondContact O-OG1 3.44Å; V267-T270 PolarHBondContact O-N 3.21Å; T270-Q272 PolarHBondContact O-N 3.37Å; T270-S273 PolarHBondContact O-N 2.81Å; T270-L274 HydrophobicContact CG2-CD1 4.01Å; T270-L274 HydrophobicContact CG2-CG 4.31Å; T270-L274 WeakPolarHBondContact O-CB 3.35Å; T270-L274 VanDerWaalsContact O-CG 3.27Å; T270-L274 WeakPolarHBondContact O-CG 3.35Å; T270-L274 PolarHBondContact O-N 3.36Å; T270-M302 HydrophobicContact CG2-CG 4.12Å; T270-M302 HydrophobicContact CG2-SD 3.87Å; T270-C438 WeakPolarHBondContact OG1-CB 3.22Å; T270-N489 VanDerWaalsContact OG1-CB 3.32Å; T270-N489 WeakPolarHBondContact OG1-CB 3.46Å
271I95.9Very high93.5Very high0 Ų024.6 Ų24.60%014%0.137CC..Hα-helixtrans-61.1-46.7179.2-71.1175.6000111V68 V267 V268 S273 L274 F275 L305 L309V68-I271 HydrophobicContact CG1-CD1 4.2Å; V68-I271 HydrophobicContact CG2-CD1 4.16Å; V267-I271 HydrophobicContact CG1-CD1 3.85Å; V267-I271 HydrophobicContact CG1-CG1 4.47Å; V267-I271 WeakPolarHBondContact O-CG1 3.45Å; V267-I271 PolarHBondContact O-N 3.08Å; V268-I271 PolarHBondContact O-N 3.09Å; I271-S273 VanDerWaalsContact C-N 3.33Å; I271-S273 PolarHBondContact O-N 3.06Å; I271-L274 PolarHBondContact O-N 2.63Å; I271-F275 HydrophobicContact CG2-CD2 3.85Å; I271-F275 HydrophobicContact CG2-CE2 4.02Å; I271-F275 VanDerWaalsContact O-CD2 3.29Å; I271-F275 WeakPolarHBondContact O-CD2 3.44Å; I271-F275 PolarHBondContact O-N 2.9Å; I271-L305 HydrophobicContact CD1-CB 3.84Å; I271-L309 HydrophobicContact CG2-CD2 3.54Å
272Q94.5Very high93Very high12 Ų1223.3 Ų23.36%0.05613%0.132CC..Hα-helixtrans-55.6-49176.5-75.2174.9-24.300111.3V55 C59 L62 V268 K269 T270 L274 F275 Q276V55-Q272 HydrophobicContact CG1-CB 4.17Å; V55-Q272 HydrophobicContact CG1-CG 3.95Å; C59-Q272 HydrophobicContact CB-CG 4.15Å; C59-Q272 PolarHBondContact O-NE2 2.93Å; L62-Q272 PolarHBondContact O-NE2 2.79Å; V268-Q272 HydrophobicContact CG1-CG 4.41Å; V268-Q272 WeakPolarHBondContact O-CB 3.35Å; V268-Q272 VanDerWaalsContact O-CG 3.31Å; V268-Q272 WeakPolarHBondContact O-CG 3.44Å; V268-Q272 PolarHBondContact O-N 2.98Å; K269-Q272 PolarHBondContact O-N 2.81Å; T270-Q272 PolarHBondContact O-N 3.37Å; Q272-L274 PolarHBondContact O-N 2.87Å; Q272-F275 PolarHBondContact O-N 2.96Å; Q272-Q276 WeakPolarHBondContact O-CG 3.41Å; Q272-Q276 PolarHBondContact O-N 3.26Å; Q272-Q276 PolarHBondContact O-OE1 3.23Å
273S93.6Very high92.6Very high8 Ų824.4 Ų24.46%0.05614%0.136CC..Hα-helixtrans-64.6-35.7178.7-61.80000113.4K269 T270 I271 R277 P459K269-S273 WeakPolarHBondContact O-CB 3.38Å; K269-S273 PolarHBondContact O-N 3.48Å; K269-S273 PolarHBondContact O-OG 2.84Å; T270-S273 PolarHBondContact O-N 2.81Å; I271-S273 VanDerWaalsContact C-N 3.33Å; I271-S273 PolarHBondContact O-N 3.06Å; S273-R277 WeakPolarHBondContact O-CG 3.44Å; S273-P459 WeakPolarHBondContact CB-O 3.48Å; S273-P459 PolarHBondContact OG-O 2.64Å
274L92.7Very high92.4Very high26 Ų2625.3 Ų25.314%0.13614%0.141CC..Hα-helixtrans-65.2-46.8173.6-73.6174.7000111.1T270 I271 Q272 Q276 R277 L278 V440 L443T270-L274 HydrophobicContact CG2-CD1 4.01Å; T270-L274 HydrophobicContact CG2-CG 4.31Å; T270-L274 WeakPolarHBondContact O-CB 3.35Å; T270-L274 VanDerWaalsContact O-CG 3.27Å; T270-L274 WeakPolarHBondContact O-CG 3.35Å; T270-L274 PolarHBondContact O-N 3.36Å; I271-L274 PolarHBondContact O-N 2.63Å; Q272-L274 PolarHBondContact O-N 2.87Å; L274-Q276 VanDerWaalsContact C-N 3.27Å; L274-Q276 PolarHBondContact O-N 2.9Å; L274-R277 CarbonylContact O-C 3.42Å; L274-R277 WeakPolarHBondContact O-CA 3.36Å; L274-R277 WeakPolarHBondContact O-CB 3.3Å; L274-R277 PolarHBondContact O-N 3.08Å; L274-L278 WeakPolarHBondContact O-CG 3.41Å; L274-L278 PolarHBondContact O-N 3.42Å; L274-V440 HydrophobicContact CD2-CB 4.26Å; L274-V440 HydrophobicContact CD2-CG1 4.04Å; L274-V440 HydrophobicContact CD2-CG2 4.15Å; L274-L443 HydrophobicContact CD2-CD1 3.42Å; L274-L443 VanDerWaalsContact CD2-CD1 3.42Å
275F92.1Very high92.2Very high16 Ų1628.9 Ų28.97%0.0716%0.16CC..Hα-helixtrans-67-26.9-179.5-88.4-101.2000113.3P56 V58 I271 Q272 R277 L278 F283 L309 V310P56-F275 HydrophobicContact CG-CB 4.16Å; V58-F275 HydrophobicContact CG1-CD1 3.93Å; V58-F275 HydrophobicContact CG1-CE1 4.12Å; I271-F275 HydrophobicContact CG2-CD2 3.85Å; I271-F275 HydrophobicContact CG2-CE2 4.02Å; I271-F275 VanDerWaalsContact O-CD2 3.29Å; I271-F275 WeakPolarHBondContact O-CD2 3.44Å; I271-F275 PolarHBondContact O-N 2.9Å; Q272-F275 PolarHBondContact O-N 2.96Å; F275-R277 PolarHBondContact O-N 3.14Å; F275-L278 HydrophobicContact CD1-CD1 4.23Å; F275-L278 HydrophobicContact CD2-CD1 4.19Å; F275-L278 HydrophobicContact CE1-CD1 4.22Å; F275-L278 HydrophobicContact CE2-CD1 4.2Å; F275-L278 HydrophobicContact CG-CD1 4.21Å; F275-L278 HydrophobicContact CZ-CD1 4.2Å; F275-F283 HydrophobicContact CE1-CB 4.5Å; F275-L309 HydrophobicContact CD2-CD2 4.12Å; F275-L309 HydrophobicContact CE1-CD2 4.23Å; F275-L309 HydrophobicContact CE2-CD2 3.7Å; F275-L309 HydrophobicContact CZ-CD2 3.77Å; F275-L309 HydrophobicContact CZ-CG 4.43Å; F275-V310 HydrophobicContact CE1-CG1 3.32Å; F275-V310 HydrophobicContact CZ-CG1 3.39Å
276Q91Very high92.1Very high27 Ų2731 Ų3113%0.12618%0.176CC..THydrogen-bonded Turntrans-68.1-18.5168.4-75.4172.7-60.100113.8T53 V55 Q272 L274 P459T53-Q276 PolarHBondContact O-NE2 2.67Å; T53-Q276 WeakPolarHBondContact OG1-CB 3.32Å; T53-Q276 PolarHBondContact OG1-O 3.22Å; V55-Q276 HydrophobicContact CG2-CG 4.26Å; Q272-Q276 WeakPolarHBondContact O-CG 3.41Å; Q272-Q276 PolarHBondContact O-N 3.26Å; Q272-Q276 PolarHBondContact O-OE1 3.23Å; L274-Q276 VanDerWaalsContact C-N 3.27Å; L274-Q276 PolarHBondContact O-N 2.9Å; Q276-P459 HydrophobicContact CB-CG 3.93Å; Q276-P459 VanDerWaalsContact OE1-CB 3.29Å
277R90.1Very high92.1Very high12 Ų1230.9 Ų30.95%0.04518%0.176CC..THydrogen-bonded Turntrans-105.3-14.4-179.9-69.3-59.8-171.7135.7-5.1114.2S49 T51 S273 L274 F275 L457S49-R277 PolarHBondContact OG-NH2 3.13Å; T51-R277 VanDerWaalsContact CG2-NH2 3.27Å; T51-R277 PolarHBondContact OG1-NE 2.76Å; T51-R277 PolarHBondContact OG1-NH2 3.38Å; S273-R277 WeakPolarHBondContact O-CG 3.44Å; L274-R277 CarbonylContact O-C 3.42Å; L274-R277 WeakPolarHBondContact O-CA 3.36Å; L274-R277 WeakPolarHBondContact O-CB 3.3Å; L274-R277 PolarHBondContact O-N 3.08Å; F275-R277 PolarHBondContact O-N 3.14Å; R277-L457 PolarHBondContact NH2-O 2.94Å
278L87.8Confident92Very high51 Ų5130.9 Ų30.927%0.26718%0.176SC..  trans-72.3130.4174.6-70.7176.7000109.7L274 F275 F283 F446L274-L278 WeakPolarHBondContact O-CG 3.41Å; L274-L278 PolarHBondContact O-N 3.42Å; F275-L278 HydrophobicContact CD1-CD1 4.23Å; F275-L278 HydrophobicContact CD2-CD1 4.19Å; F275-L278 HydrophobicContact CE1-CD1 4.22Å; F275-L278 HydrophobicContact CE2-CD1 4.2Å; F275-L278 HydrophobicContact CG-CD1 4.21Å; F275-L278 HydrophobicContact CZ-CD1 4.2Å; L278-F283 HydrophobicContact CD1-CB 4.17Å; L278-F283 HydrophobicContact CD1-CD1 4.13Å; L278-F283 HydrophobicContact CD1-CD2 3.57Å; L278-F283 HydrophobicContact CD1-CE1 4.43Å; L278-F283 HydrophobicContact CD1-CE2 3.92Å; L278-F283 HydrophobicContact CD1-CG 3.69Å; L278-F283 HydrophobicContact CD1-CZ 4.33Å; L278-F283 HydrophobicContact CD2-CD2 3.75Å; L278-F283 HydrophobicContact CD2-CE2 3.37Å; L278-F283 HydrophobicContact CD2-CZ 4Å; L278-F283 HydrophobicContact CG-CD2 4.15Å; L278-F283 HydrophobicContact CG-CE2 4.24Å; L278-F446 HydrophobicContact CD2-CZ 4.39Å
279E87.4Confident92.1Very high9 Ų930.9 Ų30.94%0.04218%0.176CC..  trans-118.9143179.6-58.5-174-9800110.6F27 P28 L29 F446F27-E279 WeakPolarHBondContact CA-OE2 3.41Å; F27-E279 VanDerWaalsContact CB-OE2 3.23Å; F27-E279 WeakPolarHBondContact CB-OE2 3.45Å; F27-E279 HydrophobicContact CD1-CB 3.99Å; P28-E279 WeakPolarHBondContact CD-OE2 3.49Å; L29-E279 WeakPolarHBondContact CB-OE2 3.33Å; L29-E279 HydrophobicContact CD1-CG 4Å; L29-E279 HydrophobicContact CG-CG 4.17Å; L29-E279 PolarHBondContact N-OE2 3.34Å; E279-F446 HydrophobicContact CB-CB 4.37Å; E279-F446 HydrophobicContact CB-CD1 3.95Å; E279-F446 HydrophobicContact CB-CD2 4.16Å; E279-F446 HydrophobicContact CB-CE1 4.27Å; E279-F446 HydrophobicContact CB-CE2 4.47Å; E279-F446 HydrophobicContact CB-CG 3.91Å; E279-F446 HydrophobicContact CG-CD2 4.26Å; E279-F446 HydrophobicContact CG-CG 4.34Å; E279-F446 VanDerWaalsContact O-CE1 3.22Å; E279-F446 WeakPolarHBondContact O-CE1 3.41Å; E279-F446 WeakPolarHBondContact OE1-CB 3.26Å; E279-F446 PolarHBondContact OE1-N 2.81Å
280G80.8Confident92.2Very high62 Ų6227.6 Ų27.664%0.63916%0.162SC*.SBendtrans76.3163.2-174.700000113.8I282G280-I282 PolarHBondContact O-N 3.03Å
281D84.4Confident92.2Very high123 Ų12327.6 Ų27.666%0.65816%0.162SC*.THydrogen-bonded Turntrans-80.459.7177.8-17523.9000111N284D281-N284 VanDerWaalsContact CG-ND2 3.28Å; D281-N284 PolarHBondContact O-ND2 3.32Å; D281-N284 VanDerWaalsContact O-ND2 3.11Å; D281-N284 WeakPolarHBondContact OD1-CB 3.47Å; D281-N284 PolarHBondContact OD1-ND2 2.79Å; D281-N284 PolarHBondContact OD2-ND2 2.88Å
282I87Confident92.2Very high19 Ų1928.3 Ų28.310%0.09716%0.164CC..THydrogen-bonded Turntrans-93.3-42.6-179.7-58.5-179.1000110.9G280 N284 A287 K403 V404 F446G280-I282 PolarHBondContact O-N 3.03Å; I282-N284 PolarHBondContact O-N 3.37Å; I282-A287 WeakPolarHBondContact O-CB 3.37Å; I282-K403 HydrophobicContact CD1-CB 4.15Å; I282-K403 HydrophobicContact CG1-CB 4.26Å; I282-K403 HydrophobicContact CG1-CD 4.33Å; I282-K403 HydrophobicContact CG2-CB 4.02Å; I282-K403 HydrophobicContact CG2-CD 4.38Å; I282-V404 HydrophobicContact CD1-CB 4.11Å; I282-V404 HydrophobicContact CD1-CG1 4.31Å; I282-V404 HydrophobicContact CG2-CG1 3.9Å; I282-F446 HydrophobicContact CD1-CE1 3.72Å; I282-F446 HydrophobicContact CD1-CZ 4.44Å
283F89.9Confident92.1Very high23 Ų2327.7 Ų27.710%0.10116%0.161CC..SBendtrans-95.285.9-178.9-73.2-100.6000109.4F275 L278 V310 F335 F337 V404F275-F283 HydrophobicContact CE1-CB 4.5Å; L278-F283 HydrophobicContact CD1-CB 4.17Å; L278-F283 HydrophobicContact CD1-CD1 4.13Å; L278-F283 HydrophobicContact CD1-CD2 3.57Å; L278-F283 HydrophobicContact CD1-CE1 4.43Å; L278-F283 HydrophobicContact CD1-CE2 3.92Å; L278-F283 HydrophobicContact CD1-CG 3.69Å; L278-F283 HydrophobicContact CD1-CZ 4.33Å; L278-F283 HydrophobicContact CD2-CD2 3.75Å; L278-F283 HydrophobicContact CD2-CE2 3.37Å; L278-F283 HydrophobicContact CD2-CZ 4Å; L278-F283 HydrophobicContact CG-CD2 4.15Å; L278-F283 HydrophobicContact CG-CE2 4.24Å; F283-V310 HydrophobicContact CB-CG1 4.29Å; F283-V310 HydrophobicContact CB-CG2 4.4Å; F283-F335 AromaticContact CD1-CD1 3.87Å; F283-F335 HydrophobicContact CD1-CD1 3.87Å; F283-F335 AromaticContact CD1-CE1 3.66Å; F283-F335 HydrophobicContact CD1-CE1 3.66Å; F283-F335 HydrophobicContact CD1-CG 4.46Å; F283-F335 HydrophobicContact CD1-CZ 4.07Å; F283-F335 HydrophobicContact CE1-CB 4.42Å; F283-F335 AromaticContact CE1-CD1 3.6Å; F283-F335 HydrophobicContact CE1-CD1 3.6Å; F283-F335 AromaticContact CE1-CD2 3.94Å; F283-F335 HydrophobicContact CE1-CD2 3.94Å; F283-F335 AromaticContact CE1-CE1 3.68Å; F283-F335 HydrophobicContact CE1-CE1 3.68Å; F283-F335 AromaticContact CE1-CE2 3.97Å; F283-F335 HydrophobicContact CE1-CE2 3.97Å; F283-F335 AromaticContact CE1-CG 3.73Å; F283-F335 HydrophobicContact CE1-CG 3.73Å; F283-F335 AromaticContact CE1-CZ 3.85Å; F283-F335 HydrophobicContact CE1-CZ 3.85Å; F283-F335 HydrophobicContact CE2-CB 4.34Å; F283-F335 HydrophobicContact CE2-CD1 4.3Å; F283-F335 HydrophobicContact CE2-CG 4.42Å; F283-F335 HydrophobicContact CG-CD1 4.33Å; F283-F335 HydrophobicContact CG-CE1 4.36Å; F283-F335 HydrophobicContact CZ-CB 3.89Å; F283-F335 AromaticContact CZ-CD1 3.84Å; F283-F335 HydrophobicContact CZ-CD1 3.84Å; F283-F335 HydrophobicContact CZ-CD2 4.17Å; F283-F335 HydrophobicContact CZ-CE1 4.38Å; F283-F335 AromaticContact CZ-CG 3.71Å; F283-F335 HydrophobicContact CZ-CG 3.71Å; F283-F337 HydrophobicContact CE1-CE2 4.05Å; F283-F337 HydrophobicContact CE1-CZ 4.25Å; F283-F337 AromaticContact CZ-CE2 3.87Å; F283-F337 HydrophobicContact CZ-CE2 3.87Å; F283-F337 AromaticContact CZ-CZ 3.89Å; F283-F337 HydrophobicContact CZ-CZ 3.89Å; F283-V404 HydrophobicContact CE2-CG1 4.22Å
284N93Very high92Very high21 Ų2128.4 Ų28.411%0.11217%0.166CC..SBendtrans-138.4177.3177.86448.1000111.3D281 I282 T286 A287 V310 A312D281-N284 VanDerWaalsContact CG-ND2 3.28Å; D281-N284 PolarHBondContact O-ND2 3.32Å; D281-N284 VanDerWaalsContact O-ND2 3.11Å; D281-N284 WeakPolarHBondContact OD1-CB 3.47Å; D281-N284 PolarHBondContact OD1-ND2 2.79Å; D281-N284 PolarHBondContact OD2-ND2 2.88Å; I282-N284 PolarHBondContact O-N 3.37Å; N284-T286 PolarHBondContact O-N 3.45Å; N284-T286 PolarHBondContact OD1-N 3.07Å; N284-T286 PolarHBondContact OD1-OG1 3.18Å; N284-A287 WeakPolarHBondContact O-CB 3.49Å; N284-A287 PolarHBondContact O-N 3.21Å; N284-A287 PolarHBondContact OD1-N 2.97Å; N284-V310 CarbonylContact C-O 3.56Å; N284-A312 WeakPolarHBondContact O-CB 3.36Å
285N94.1Very high92.1Very high75 Ų7527.1 Ų27.140%0.40116%0.159SC..THydrogen-bonded Turntrans-64.5-11.8-174.863.5-4.8000115.8F75 S76 V310 G311F75-N285 HydrophobicContact CD2-CB 4.33Å; F75-N285 HydrophobicContact CE2-CB 4.11Å; S76-N285 VanDerWaalsContact OG-CB 3.27Å; S76-N285 WeakPolarHBondContact OG-CB 3.09Å; N285-V310 WeakPolarHBondContact CA-O 3.37Å; N285-V310 PolarHBondContact N-O 2.78Å; N285-V310 VanDerWaalsContact N-O 3.08Å; N285-G311 WeakPolarHBondContact CA-O 3.37Å
286T94.9Very high92.2Very high90 Ų9026.5 Ų26.555%0.55216%0.157SC*.THydrogen-bonded Turntrans-93.5-9.4174720000112.8N284 H334N284-T286 PolarHBondContact O-N 3.45Å; N284-T286 PolarHBondContact OD1-N 3.07Å; N284-T286 PolarHBondContact OD1-OG1 3.18Å; T286-H334 PolarHBondContact O-CE1 2.86Å; T286-H334 VanDerWaalsContact O-CE1 3.32Å
287A96.9Very high92.3Very high1 Ų126 Ų261%0.00816%0.155CC..  trans-70.5165.9-178.400000112I282 N284 A312 R313 H334 F335I282-A287 WeakPolarHBondContact O-CB 3.37Å; N284-A287 WeakPolarHBondContact O-CB 3.49Å; N284-A287 PolarHBondContact O-N 3.21Å; N284-A287 PolarHBondContact OD1-N 2.97Å; A287-A312 HydrophobicContact CB-CB 4.08Å; A287-A312 WeakPolarHBondContact O-CB 3.38Å; A287-R313 PolarHBondContact O-N 3.26Å; A287-H334 WeakPolarHBondContact CA-ND1 3.2Å; A287-H334 HydrophobicContact CB-CB 4.11Å; A287-F335 HydrophobicContact CB-CD1 4.28Å; A287-F335 HydrophobicContact CB-CE1 3.75Å
288S97.6Very high92.5Very high0 Ų025.5 Ų25.50%015%0.153CC..EExtended strand (participates in β ladder)trans-149.1146.5177.752.70000112.4R313 K332 P333 H334S288-R313 CarbonylContact C-O 3.47Å; S288-R313 VanDerWaalsContact CA-O 3.27Å; S288-R313 WeakPolarHBondContact CA-O 3.38Å; S288-K332 PolarHBondContact OG-O 2.73Å; S288-P333 CarbonylContact O-C 3.53Å; S288-P333 WeakPolarHBondContact O-CA 3.17Å; S288-P333 WeakPolarHBondContact O-CB 3.25Å; S288-H334 PolarHBondContact N-ND1 3.41Å; S288-H334 PolarHBondContact O-N 2.81Å; S288-H334 PolarHBondContact OG-ND1 2.95Å
289H98.1Very high92.8Very high3 Ų324.5 Ų24.51%0.01415%0.147CC..EExtended strand (participates in β ladder)trans-121151178-179.440.1000110.4E300 I303 T307 R313 G315 F335H289-E300 IonicContact CD2-OE1 3.24Å; H289-E300 IonicContact CE1-OE1 2.88Å; H289-E300 IonicContact CE1-OE2 3.91Å; H289-E300 IonicContact NE2-OE1 3.62Å; H289-E300 PolarHBondContact NE2-OE1 3.33Å; H289-E300 IonicContact NE2-OE2 2.81Å; H289-E300 PolarHBondContact NE2-OE2 3.2Å; H289-I303 WeakPolarHBondContact NE2-CG2 3.25Å; H289-T307 HydrophobicContact CB-CG2 4.13Å; H289-R313 PolarHBondContact N-O 2.87Å; H289-G315 PolarHBondContact O-N 2.8Å; H289-F335 HydrophobicContact CB-CD2 4.39Å; H289-F335 HydrophobicContact CB-CE2 3.52Å; H289-F335 HydrophobicContact CB-CZ 3.94Å; H289-F335 AromaticContact CG-CE2 3.87Å
290L98.1Very high93.2Very high2 Ų224 Ų241%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-112.1113.2164.7178.976.4000108.7Y292 G315 L317 L324 D327 L328 V331L290-Y292 PolarHBondContact O-N 3.26Å; L290-G315 CarbonylContact C-O 3.53Å; L290-G315 WeakPolarHBondContact CA-O 3.39Å; L290-L317 HydrophobicContact CD2-CD2 4.23Å; L290-L324 HydrophobicContact CD2-CD1 3.8Å; L290-D327 HydrophobicContact CD1-CB 4.03Å; L290-D327 HydrophobicContact CD2-CB 3.92Å; L290-L328 HydrophobicContact CB-CD2 4.04Å; L290-L328 HydrophobicContact CD2-CB 4.4Å; L290-L328 HydrophobicContact CD2-CD2 3.5Å; L290-L328 HydrophobicContact CD2-CG 3.55Å; L290-L328 HydrophobicContact CG-CD2 4.42Å; L290-V331 HydrophobicContact CB-CG1 4.42Å; L290-V331 HydrophobicContact CD1-CB 4.43Å; L290-V331 HydrophobicContact CD1-CG2 3.75Å
291S97.5Very high94Very high0 Ų021.1 Ų21.10%011%0.114CC..EExtended strand (participates in β ladder)trans-76.7101.4174.9-171.60000110.4N131 E300 G315N131-S291 PolarHBondContact ND2-OG 2.85Å; S291-E300 WeakPolarHBondContact CA-OE1 3.22Å; S291-E300 WeakPolarHBondContact CB-OE1 3.34Å; S291-E300 PolarHBondContact OG-OE1 2.84Å; S291-G315 PolarHBondContact N-O 3.22Å
292Y94.5Very high94.6Very high14 Ų1415.6 Ų15.66%0.0559%0.085CC..  trans-128.7-18.2178.985.2-89.2000113.3L290 I321 L324 F336 F337 T338 V342L290-Y292 PolarHBondContact O-N 3.26Å; Y292-I321 HydrophobicContact CD2-CD1 3.59Å; Y292-I321 HydrophobicContact CE2-CD1 4.11Å; Y292-L324 HydrophobicContact CD1-CD1 4.07Å; Y292-L324 HydrophobicContact CD2-CD1 3.96Å; Y292-L324 HydrophobicContact CD2-CD2 4.32Å; Y292-L324 HydrophobicContact CE2-CD2 4.28Å; Y292-L324 HydrophobicContact CG-CD1 3.68Å; Y292-F336 AromaticContact CE1-CE2 3.79Å; Y292-F336 HydrophobicContact CE1-CE2 3.79Å; Y292-F336 HydrophobicContact CE1-CZ 4.36Å; Y292-F337 WeakPolarHBondContact CE1-O 3.44Å; Y292-T338 WeakPolarHBondContact OH-CA 3.4Å; Y292-T338 PolarHBondContact OH-OG1 3.27Å; Y292-V342 HydrophobicContact CE2-CG2 4.43Å
293L92.6Very high95.1Very high0 Ų015 Ų150%08%0.081CC..SBendtrans-81.2141.1172-64.5158.4000107.9N131 L295 M299 E300 I303 V339N131-L293 PolarHBondContact ND2-O 3.46Å; L293-L295 PolarHBondContact O-N 2.8Å; L293-M299 HydrophobicContact CD1-CE 3.42Å; L293-M299 VanDerWaalsContact CD1-CE 3.42Å; L293-M299 HydrophobicContact CD2-CE 3.98Å; L293-M299 HydrophobicContact CG-CE 4.17Å; L293-E300 HydrophobicContact CB-CB 4.15Å; L293-E300 WeakPolarHBondContact O-CB 3.3Å; L293-E300 WeakPolarHBondContact O-CG 3.49Å; L293-I303 HydrophobicContact CD1-CD1 4.37Å; L293-V339 HydrophobicContact CD2-CG1 3.98Å
294P92.1Very high95.5Very high22 Ų2213.9 Ų13.914%0.1438%0.077CC..  trans-56.5131.3-172.7-23.130.6000113.1N131 Y153 A296 H297 E300N131-P294 WeakPolarHBondContact OD1-CA 3.34Å; Y153-P294 HydrophobicContact CD1-CB 3.94Å; Y153-P294 HydrophobicContact CD1-CG 4.3Å; Y153-P294 HydrophobicContact CE1-CB 3.91Å; Y153-P294 HydrophobicContact CE1-CG 4.28Å; P294-A296 PolarHBondContact O-N 3.32Å; P294-H297 WeakPolarHBondContact O-CB 3.27Å; P294-H297 PolarHBondContact O-N 3.43Å; P294-E300 WeakPolarHBondContact O-CB 3.3Å
295L95.4Very high95.7Very high0 Ų012.9 Ų12.90%07%0.072CC..THydrogen-bonded Turntrans-64.6-18.3174.1-82.7169.3000112.9N131 W135 I136 L293 H297 E300 Q301 F316N131-L295 HydrophobicContact CB-CD1 3.9Å; N131-L295 HydrophobicContact CB-CG 4.2Å; N131-L295 PolarHBondContact OD1-N 3.28Å; W135-L295 HydrophobicContact CB-CD1 3.95Å; W135-L295 HydrophobicContact CD2-CB 3.88Å; W135-L295 HydrophobicContact CD2-CD1 3.8Å; W135-L295 VanDerWaalsContact CE2-CB 3.47Å; W135-L295 HydrophobicContact CE3-CB 4.31Å; W135-L295 HydrophobicContact CE3-CD1 4.42Å; W135-L295 HydrophobicContact CG-CB 4.43Å; W135-L295 HydrophobicContact CG-CD1 3.57Å; W135-L295 HydrophobicContact CH2-CB 4.06Å; W135-L295 HydrophobicContact CZ2-CB 3.53Å; W135-L295 HydrophobicContact CZ3-CB 4.43Å; I136-L295 HydrophobicContact CD1-CD1 3.93Å; I136-L295 HydrophobicContact CD1-CD2 3.74Å; I136-L295 HydrophobicContact CG1-CD1 4.27Å; L293-L295 PolarHBondContact O-N 2.8Å; L295-H297 PolarHBondContact O-N 3.02Å; L295-E300 HydrophobicContact CD2-CB 4.49Å; L295-E300 HydrophobicContact CD2-CG 3.65Å; L295-E300 HydrophobicContact CG-CG 4.07Å; L295-Q301 WeakPolarHBondContact O-CG 3.22Å; L295-Q301 PolarHBondContact O-NE2 3.09Å; L295-F316 HydrophobicContact CD1-CE1 4.28Å
296A93.5Very high95.8Very high2 Ų29.7 Ų9.72%0.0176%0.055CC..THydrogen-bonded Turntrans-68.4-14.1168.800000113.7W135 P151 Y153 P294W135-A296 HydrophobicContact CH2-CB 4.19Å; P151-A296 HydrophobicContact CB-CB 4Å; Y153-A296 HydrophobicContact CD1-CB 3.87Å; Y153-A296 HydrophobicContact CD2-CB 4.33Å; Y153-A296 HydrophobicContact CE1-CB 3.96Å; Y153-A296 HydrophobicContact CE2-CB 4.37Å; Y153-A296 HydrophobicContact CG-CB 4.08Å; P294-A296 PolarHBondContact O-N 3.32Å
297H92.8Very high96Very high18 Ų185.4 Ų5.48%0.0833%0.028CC..SBendtrans-96136.3177.2-170.7-113.5000111.6Y153 P294 L295 M299 E300 Q301 N674Y153-H297 HydrophobicContact CE1-CB 4.11Å; Y153-H297 WeakPolarHBondContact OH-CB 3.34Å; Y153-H297 PolarHBondContact OH-CD2 3.36Å; Y153-H297 VanDerWaalsContact OH-CD2 3.3Å; P294-H297 WeakPolarHBondContact O-CB 3.27Å; P294-H297 PolarHBondContact O-N 3.43Å; L295-H297 PolarHBondContact O-N 3.02Å; H297-M299 VanDerWaalsContact ND1-CB 3.27Å; H297-M299 WeakPolarHBondContact ND1-CB 3.4Å; H297-M299 PolarHBondContact ND1-N 3.42Å; H297-M299 PolarHBondContact O-N 3.23Å; H297-E300 PolarHBondContact O-N 2.9Å; H297-E300 VanDerWaalsContact O-N 3.11Å; H297-Q301 PolarHBondContact O-N 3.48Å; H297-N674 PolarHBondContact CD2-ND2 2.93Å; H297-N674 PolarHBondContact NE2-ND2 3.09Å; H297-N674 VanDerWaalsContact NE2-ND2 3.15Å
298I95.4Very high96Very high1 Ų15.3 Ų5.31%0.0053%0.028CC..Hα-helixtrans-56.7-28.9-176.5-162.460.9000113.7M246 I262 Q301 M302M246-I298 HydrophobicContact SD-CD1 3.86Å; I262-I298 HydrophobicContact CD1-CD1 4.46Å; I262-I298 HydrophobicContact CG1-CD1 4.34Å; I262-I298 HydrophobicContact CG2-CD1 4.41Å; I298-Q301 HydrophobicContact CD1-CB 4.37Å; I298-Q301 WeakPolarHBondContact O-CB 3.23Å; I298-Q301 PolarHBondContact O-N 3.1Å; I298-M302 HydrophobicContact CD1-CE 3.9Å; I298-M302 HydrophobicContact CG1-CE 4.49Å; I298-M302 WeakPolarHBondContact O-CG 3.43Å; I298-M302 PolarHBondContact O-N 3.45Å
299M94Very high96Very high29 Ų295.3 Ų5.314%0.1433%0.028CC..Hα-helixtrans-65.1-48.2179.6-174.6174.959.300111L293 H297 Q301 M302 I303 V339 S409L293-M299 HydrophobicContact CD1-CE 3.42Å; L293-M299 VanDerWaalsContact CD1-CE 3.42Å; L293-M299 HydrophobicContact CD2-CE 3.98Å; L293-M299 HydrophobicContact CG-CE 4.17Å; H297-M299 VanDerWaalsContact ND1-CB 3.27Å; H297-M299 WeakPolarHBondContact ND1-CB 3.4Å; H297-M299 PolarHBondContact ND1-N 3.42Å; H297-M299 PolarHBondContact O-N 3.23Å; M299-Q301 VanDerWaalsContact C-N 3.28Å; M299-Q301 PolarHBondContact O-N 3.09Å; M299-M302 PolarHBondContact O-N 3.4Å; M299-I303 HydrophobicContact CG-CD1 3.86Å; M299-I303 VanDerWaalsContact O-CD1 3.27Å; M299-I303 WeakPolarHBondContact O-CD1 3.25Å; M299-I303 WeakPolarHBondContact O-CG1 3.49Å; M299-I303 PolarHBondContact O-N 3.08Å; M299-V339 HydrophobicContact CE-CG1 4.17Å; M299-S409 WeakPolarHBondContact CE-OG 3.41Å
300E96Very high95.8Very high0 Ų05.5 Ų5.50%03%0.029CC..Hα-helixtrans-67.1-34.4178.7-174.864.2-162.700111.3H289 S291 L293 P294 L295 H297 I303 S304H289-E300 IonicContact CD2-OE1 3.24Å; H289-E300 IonicContact CE1-OE1 2.88Å; H289-E300 IonicContact CE1-OE2 3.91Å; H289-E300 IonicContact NE2-OE1 3.62Å; H289-E300 PolarHBondContact NE2-OE1 3.33Å; H289-E300 IonicContact NE2-OE2 2.81Å; H289-E300 PolarHBondContact NE2-OE2 3.2Å; S291-E300 WeakPolarHBondContact CA-OE1 3.22Å; S291-E300 WeakPolarHBondContact CB-OE1 3.34Å; S291-E300 PolarHBondContact OG-OE1 2.84Å; L293-E300 HydrophobicContact CB-CB 4.15Å; L293-E300 WeakPolarHBondContact O-CB 3.3Å; L293-E300 WeakPolarHBondContact O-CG 3.49Å; P294-E300 WeakPolarHBondContact O-CB 3.3Å; L295-E300 HydrophobicContact CD2-CB 4.49Å; L295-E300 HydrophobicContact CD2-CG 3.65Å; L295-E300 HydrophobicContact CG-CG 4.07Å; H297-E300 PolarHBondContact O-N 2.9Å; H297-E300 VanDerWaalsContact O-N 3.11Å; E300-I303 PolarHBondContact O-N 3.11Å; E300-S304 VanDerWaalsContact O-CB 3.28Å; E300-S304 WeakPolarHBondContact O-CB 3.43Å; E300-S304 PolarHBondContact O-N 3.38Å; E300-S304 PolarHBondContact O-OG 3.1Å; E300-S304 PolarHBondContact OE1-OG 3.35Å
301Q97.5Very high95.8Very high0 Ų05.4 Ų5.40%03%0.029CC..Hα-helixtrans-56.2-52.5172-72-70.9-26.100111.3E139 M246 L295 H297 I298 M299 I303 S304 L305E139-Q301 PolarHBondContact OE1-OE1 3.24Å; E139-Q301 VanDerWaalsContact OE1-OE1 3.1Å; E139-Q301 PolarHBondContact OE2-NE2 3.4Å; E139-Q301 PolarHBondContact OE2-OE1 2.71Å; M246-Q301 HydrophobicContact CE-CG 4.19Å; M246-Q301 HydrophobicContact SD-CG 4.22Å; L295-Q301 WeakPolarHBondContact O-CG 3.22Å; L295-Q301 PolarHBondContact O-NE2 3.09Å; H297-Q301 PolarHBondContact O-N 3.48Å; I298-Q301 HydrophobicContact CD1-CB 4.37Å; I298-Q301 WeakPolarHBondContact O-CB 3.23Å; I298-Q301 PolarHBondContact O-N 3.1Å; M299-Q301 VanDerWaalsContact C-N 3.28Å; M299-Q301 PolarHBondContact O-N 3.09Å; Q301-I303 VanDerWaalsContact C-N 3.31Å; Q301-I303 PolarHBondContact O-N 2.83Å; Q301-S304 PolarHBondContact O-N 2.99Å; Q301-L305 WeakPolarHBondContact O-CB 3.21Å; Q301-L305 VanDerWaalsContact O-CG 3.27Å; Q301-L305 WeakPolarHBondContact O-CG 3.38Å; Q301-L305 PolarHBondContact O-N 3.16Å
302M96.7Very high95.8Very high7 Ų75.4 Ų5.43%0.0343%0.029CC..Hα-helixtrans-63.1-38179.3-67-51.494.800112.3V267 T270 I298 M299 L305 S306V267-M302 HydrophobicContact CB-CE 4.23Å; V267-M302 HydrophobicContact CG1-CE 3.74Å; V267-M302 HydrophobicContact CG1-SD 4.16Å; V267-M302 HydrophobicContact CG2-CE 3.92Å; T270-M302 HydrophobicContact CG2-CG 4.12Å; T270-M302 HydrophobicContact CG2-SD 3.87Å; I298-M302 HydrophobicContact CD1-CE 3.9Å; I298-M302 HydrophobicContact CG1-CE 4.49Å; I298-M302 WeakPolarHBondContact O-CG 3.43Å; I298-M302 PolarHBondContact O-N 3.45Å; M299-M302 PolarHBondContact O-N 3.4Å; M302-L305 HydrophobicContact CE-CD1 4.28Å; M302-S306 WeakPolarHBondContact O-CB 3.33Å; M302-S306 PolarHBondContact O-N 3.48Å; M302-S306 PolarHBondContact O-OG 3.16Å
303I96.8Very high95.9Very high6 Ų67.8 Ų7.83%0.0314%0.038CC..Hα-helixtrans-67.8-47.8178.7-61.8156.8000110.9H289 L293 M299 E300 Q301 S306 T307 F335 F337H289-I303 WeakPolarHBondContact NE2-CG2 3.25Å; L293-I303 HydrophobicContact CD1-CD1 4.37Å; M299-I303 HydrophobicContact CG-CD1 3.86Å; M299-I303 VanDerWaalsContact O-CD1 3.27Å; M299-I303 WeakPolarHBondContact O-CD1 3.25Å; M299-I303 WeakPolarHBondContact O-CG1 3.49Å; M299-I303 PolarHBondContact O-N 3.08Å; E300-I303 PolarHBondContact O-N 3.11Å; Q301-I303 VanDerWaalsContact C-N 3.31Å; Q301-I303 PolarHBondContact O-N 2.83Å; I303-S306 PolarHBondContact O-N 2.88Å; I303-T307 WeakPolarHBondContact O-CB 3.43Å; I303-T307 PolarHBondContact O-N 3.22Å; I303-T307 PolarHBondContact O-OG1 3.08Å; I303-F335 HydrophobicContact CG2-CE2 4.3Å; I303-F337 HydrophobicContact CB-CD2 4.34Å; I303-F337 HydrophobicContact CD1-CB 3.31Å; I303-F337 HydrophobicContact CD1-CD1 3.63Å; I303-F337 HydrophobicContact CD1-CD2 3.95Å; I303-F337 HydrophobicContact CD1-CE1 4.41Å; I303-F337 HydrophobicContact CD1-CG 3.36Å; I303-F337 HydrophobicContact CG1-CB 4.1Å; I303-F337 HydrophobicContact CG1-CD1 3.63Å; I303-F337 HydrophobicContact CG1-CD2 3.77Å; I303-F337 HydrophobicContact CG1-CE1 3.91Å; I303-F337 HydrophobicContact CG1-CE2 4.04Å; I303-F337 HydrophobicContact CG1-CG 3.56Å; I303-F337 HydrophobicContact CG1-CZ 4.12Å; I303-F337 HydrophobicContact CG2-CD2 3.57Å; I303-F337 HydrophobicContact CG2-CE2 3.82Å; I303-F337 HydrophobicContact CG2-CG 4.17Å
304S98Very high96.2Very high0 Ų07.8 Ų7.80%04%0.038CC..Hα-helixtrans-63.2-48.4-178.8-65.50000110.7E300 Q301 S306 T307 L308E300-S304 VanDerWaalsContact O-CB 3.28Å; E300-S304 WeakPolarHBondContact O-CB 3.43Å; E300-S304 PolarHBondContact O-N 3.38Å; E300-S304 PolarHBondContact O-OG 3.1Å; E300-S304 PolarHBondContact OE1-OG 3.35Å; Q301-S304 PolarHBondContact O-N 2.99Å; S304-S306 PolarHBondContact O-N 3.25Å; S304-T307 WeakPolarHBondContact O-CB 3.33Å; S304-T307 PolarHBondContact O-N 2.88Å; S304-T307 VanDerWaalsContact O-N 3.15Å; S304-L308 WeakPolarHBondContact O-CG 3.49Å; S304-L308 PolarHBondContact O-N 3.4Å
305L97.9Very high96.5Very high1 Ų16.7 Ų6.71%0.0053%0.031CC..Hα-helixtrans-64.1-40.4177.8-67.3177.6000112.2V65 V68 F245 V267 I271 Q301 M302 T307 L308 L309V65-L305 HydrophobicContact CG1-CD1 4.03Å; V65-L305 HydrophobicContact CG1-CD2 3.69Å; V65-L305 HydrophobicContact CG2-CD1 4.42Å; V68-L305 HydrophobicContact CG1-CB 4.26Å; V68-L305 VanDerWaalsContact CG1-O 3.22Å; V68-L305 WeakPolarHBondContact CG1-O 3.09Å; F245-L305 HydrophobicContact CE1-CD1 4.35Å; F245-L305 HydrophobicContact CZ-CD1 4.15Å; V267-L305 HydrophobicContact CG1-CD1 3.57Å; I271-L305 HydrophobicContact CD1-CB 3.84Å; Q301-L305 WeakPolarHBondContact O-CB 3.21Å; Q301-L305 VanDerWaalsContact O-CG 3.27Å; Q301-L305 WeakPolarHBondContact O-CG 3.38Å; Q301-L305 PolarHBondContact O-N 3.16Å; M302-L305 HydrophobicContact CE-CD1 4.28Å; L305-T307 VanDerWaalsContact C-N 3.31Å; L305-T307 PolarHBondContact O-N 3.05Å; L305-L308 HydrophobicContact CD2-CD1 4.45Å; L305-L308 PolarHBondContact O-N 2.91Å; L305-L309 WeakPolarHBondContact O-CB 3.49Å; L305-L309 PolarHBondContact O-N 2.97Å
306S96.5Very high96.6Very high7 Ų76.9 Ų6.95%0.0493%0.031CC..Hα-helixtrans-64.4-35.2173.5-62.60000112.6M302 I303 S304 L309 V310M302-S306 WeakPolarHBondContact O-CB 3.33Å; M302-S306 PolarHBondContact O-N 3.48Å; M302-S306 PolarHBondContact O-OG 3.16Å; I303-S306 PolarHBondContact O-N 2.88Å; S304-S306 PolarHBondContact O-N 3.25Å; S306-L309 WeakPolarHBondContact O-CB 3.34Å; S306-V310 PolarHBondContact O-N 3.19Å
307T97.5Very high96.7Very high0 Ų08.6 Ų8.60%04%0.04CC..Hα-helixtrans-67.7-43.4175.5-56.70000110.5H289 I303 S304 L305 L309 V310 A312 I314 F335H289-T307 HydrophobicContact CB-CG2 4.13Å; I303-T307 WeakPolarHBondContact O-CB 3.43Å; I303-T307 PolarHBondContact O-N 3.22Å; I303-T307 PolarHBondContact O-OG1 3.08Å; S304-T307 WeakPolarHBondContact O-CB 3.33Å; S304-T307 PolarHBondContact O-N 2.88Å; S304-T307 VanDerWaalsContact O-N 3.15Å; L305-T307 VanDerWaalsContact C-N 3.31Å; L305-T307 PolarHBondContact O-N 3.05Å; T307-L309 VanDerWaalsContact C-N 3.35Å; T307-V310 WeakPolarHBondContact O-CG2 3.4Å; T307-V310 PolarHBondContact O-N 3.2Å; T307-A312 HydrophobicContact CG2-CB 3.62Å; T307-A312 PolarHBondContact O-N 2.82Å; T307-A312 VanDerWaalsContact O-N 3.16Å; T307-I314 HydrophobicContact CG2-CD1 4.22Å; T307-I314 HydrophobicContact CG2-CG1 3.55Å; T307-F335 HydrophobicContact CG2-CZ 4.03Å; T307-F335 WeakPolarHBondContact OG1-CZ 3.34Å
308L97.8Very high96.7Very high0 Ų08.6 Ų8.60%04%0.041CC..Hα-helixtrans-63.3-41.6177-69.8175.5000111.6F69 G72 C81 L82 Y97 I136 L140 S304 L305 V310 G311 I314F69-L308 HydrophobicContact CD2-CD1 4.42Å; F69-L308 HydrophobicContact CD2-CD2 4.44Å; G72-L308 WeakPolarHBondContact CA-O 3.27Å; C81-L308 VanDerWaalsContact SG-CD2 3.6Å; L82-L308 HydrophobicContact CD2-CD2 4.49Å; Y97-L308 HydrophobicContact CE1-CD2 4.13Å; Y97-L308 WeakPolarHBondContact OH-CA 3.27Å; Y97-L308 PolarHBondContact OH-O 3.42Å; Y97-L308 VanDerWaalsContact OH-O 3.07Å; I136-L308 HydrophobicContact CG2-CD1 4.03Å; L140-L308 HydrophobicContact CD1-CD1 4.19Å; S304-L308 WeakPolarHBondContact O-CG 3.49Å; S304-L308 PolarHBondContact O-N 3.4Å; L305-L308 HydrophobicContact CD2-CD1 4.45Å; L305-L308 PolarHBondContact O-N 2.91Å; L308-V310 VanDerWaalsContact C-N 3.28Å; L308-V310 PolarHBondContact O-N 2.91Å; L308-G311 PolarHBondContact O-N 3.26Å; L308-G311 VanDerWaalsContact O-N 3.08Å; L308-I314 HydrophobicContact CD2-CD1 4.16Å; L308-I314 HydrophobicContact CG-CD1 4.08Å
309L96.8Very high96.3Very high0 Ų015.2 Ų15.20%07%0.07CC..Hα-helixtrans-51.3-46.2177.7178.657.7000112.6V58 C59 L62 V68 G72 F75 I271 F275 L305 S306 T307 G311V58-L309 HydrophobicContact CG2-CD1 4.1Å; V58-L309 HydrophobicContact CG2-CG 4.08Å; C59-L309 HydrophobicContact CB-CD2 4.06Å; L62-L309 HydrophobicContact CD1-CD1 3.82Å; L62-L309 HydrophobicContact CD1-CD2 4.21Å; V68-L309 HydrophobicContact CG1-CB 3.83Å; V68-L309 HydrophobicContact CG1-CD1 4.35Å; V68-L309 WeakPolarHBondContact O-CA 3.49Å; G72-L309 WeakPolarHBondContact CA-O 3Å; G72-L309 PolarHBondContact N-O 3.2Å; F75-L309 WeakPolarHBondContact CZ-O 3.46Å; I271-L309 HydrophobicContact CG2-CD2 3.54Å; F275-L309 HydrophobicContact CD2-CD2 4.12Å; F275-L309 HydrophobicContact CE1-CD2 4.23Å; F275-L309 HydrophobicContact CE2-CD2 3.7Å; F275-L309 HydrophobicContact CZ-CD2 3.77Å; F275-L309 HydrophobicContact CZ-CG 4.43Å; L305-L309 WeakPolarHBondContact O-CB 3.49Å; L305-L309 PolarHBondContact O-N 2.97Å; S306-L309 WeakPolarHBondContact O-CB 3.34Å; T307-L309 VanDerWaalsContact C-N 3.35Å; L309-G311 VanDerWaalsContact C-N 3.26Å; L309-G311 PolarHBondContact O-N 2.79Å
310V95.4Very high95.9Very high7 Ų716.9 Ų16.94%0.0428%0.08CC..THydrogen-bonded Turntrans-88.811.6-175.3-61.50000113.2F75 F275 F283 N284 N285 S306 T307 L308 A312F75-V310 VanDerWaalsContact CE2-C 3.44Å; F75-V310 VanDerWaalsContact CE2-O 3.27Å; F75-V310 WeakPolarHBondContact CE2-O 3.48Å; F75-V310 VanDerWaalsContact CZ-C 3.42Å; F275-V310 HydrophobicContact CE1-CG1 3.32Å; F275-V310 HydrophobicContact CZ-CG1 3.39Å; F283-V310 HydrophobicContact CB-CG1 4.29Å; F283-V310 HydrophobicContact CB-CG2 4.4Å; N284-V310 CarbonylContact C-O 3.56Å; N285-V310 WeakPolarHBondContact CA-O 3.37Å; N285-V310 PolarHBondContact N-O 2.78Å; N285-V310 VanDerWaalsContact N-O 3.08Å; S306-V310 PolarHBondContact O-N 3.19Å; T307-V310 WeakPolarHBondContact O-CG2 3.4Å; T307-V310 PolarHBondContact O-N 3.2Å; L308-V310 VanDerWaalsContact C-N 3.28Å; L308-V310 PolarHBondContact O-N 2.91Å; V310-A312 HydrophobicContact CG2-CB 3.8Å; V310-A312 PolarHBondContact O-N 3.47Å
311G96.9Very high95.3Very high0 Ų019.1 Ų19.10%09%0.091CC..THydrogen-bonded Turntrans67.620177.600000114S76 Y97 N285 L308 L309S76-G311 WeakPolarHBondContact CB-O 3.48Å; S76-G311 WeakPolarHBondContact OG-CA 3.46Å; S76-G311 PolarHBondContact OG-O 2.81Å; Y97-G311 WeakPolarHBondContact OH-CA 3.44Å; N285-G311 WeakPolarHBondContact CA-O 3.37Å; L308-G311 PolarHBondContact O-N 3.26Å; L308-G311 VanDerWaalsContact O-N 3.08Å; L309-G311 VanDerWaalsContact C-N 3.26Å; L309-G311 PolarHBondContact O-N 2.79Å
312A97.5Very high94.7Very high0 Ų027 Ų270%013%0.128CC..  trans-85.4176.9179.900000111.8Y97 N284 A287 T307 V310Y97-A312 PolarHBondContact OH-N 2.91Å; Y97-A312 PolarHBondContact OH-O 3.1Å; N284-A312 WeakPolarHBondContact O-CB 3.36Å; A287-A312 HydrophobicContact CB-CB 4.08Å; A287-A312 WeakPolarHBondContact O-CB 3.38Å; T307-A312 HydrophobicContact CG2-CB 3.62Å; T307-A312 PolarHBondContact O-N 2.82Å; T307-A312 VanDerWaalsContact O-N 3.16Å; V310-A312 HydrophobicContact CG2-CB 3.8Å; V310-A312 PolarHBondContact O-N 3.47Å
313R98.2Very high94.3Very high63 Ų6327.6 Ų27.624%0.23814%0.136CC..EExtended strand (participates in β ladder)trans-113143.3-175.471.8-172.6-176.6162.211.5113.9A80 C81 W94 A287 S288 H289 R401A80-R313 HydrophobicContact CB-CB 4.27Å; A80-R313 WeakPolarHBondContact O-CB 3.25Å; C81-R313 CarbonylContact O-C 3.53Å; C81-R313 VanDerWaalsContact O-CA 3.3Å; C81-R313 WeakPolarHBondContact O-CA 3.43Å; W94-R313 HydrophobicContact CE3-CB 4.09Å; W94-R313 HydrophobicContact CE3-CG 4.43Å; W94-R313 HydrophobicContact CH2-CB 4.24Å; W94-R313 HydrophobicContact CH2-CG 3.83Å; W94-R313 HydrophobicContact CZ3-CB 3.61Å; W94-R313 HydrophobicContact CZ3-CG 3.74Å; A287-R313 PolarHBondContact O-N 3.26Å; S288-R313 CarbonylContact C-O 3.47Å; S288-R313 VanDerWaalsContact CA-O 3.27Å; S288-R313 WeakPolarHBondContact CA-O 3.38Å; H289-R313 PolarHBondContact N-O 2.87Å; R313-R401 VanDerWaalsContact NH2-NH2 3.16Å
314I98.8Very high94.1Very high0 Ų027.9 Ų27.90%014%0.137CC..EExtended strand (participates in β ladder)trans-113.6117.4179.2-55.5170.5000109.4C81 L82 G83 W94 T307 L308 F316C81-I314 PolarHBondContact O-N 3.09Å; L82-I314 CarbonylContact C-O 3.59Å; L82-I314 WeakPolarHBondContact CA-O 3.13Å; L82-I314 HydrophobicContact CD2-CB 4.12Å; L82-I314 HydrophobicContact CD2-CD1 4.23Å; G83-I314 PolarHBondContact N-O 3.45Å; W94-I314 WeakPolarHBondContact CZ3-O 3.49Å; T307-I314 HydrophobicContact CG2-CD1 4.22Å; T307-I314 HydrophobicContact CG2-CG1 3.55Å; L308-I314 HydrophobicContact CD2-CD1 4.16Å; L308-I314 HydrophobicContact CG-CD1 4.08Å; I314-F316 HydrophobicContact CB-CE2 4.48Å; I314-F316 HydrophobicContact CG2-CE1 4.31Å; I314-F316 HydrophobicContact CG2-CE2 3.99Å; I314-F316 HydrophobicContact CG2-CZ 3.83Å
315G98.1Very high93.8Very high0 Ų031.7 Ų31.70%016%0.157CC..EExtended strand (participates in β ladder)trans-90.3150166.300000111.2G83 H289 L290 S291G83-G315 WeakPolarHBondContact O-CA 3.12Å; H289-G315 PolarHBondContact O-N 2.8Å; L290-G315 CarbonylContact C-O 3.53Å; L290-G315 WeakPolarHBondContact CA-O 3.39Å; S291-G315 PolarHBondContact N-O 3.22Å
316F97.1Very high93.6Very high3 Ų333.4 Ų33.41%0.01317%0.171CC..EExtended strand (participates in β ladder)trans-111.1156.1175.4-64.9-87.5000111.7L82 G83 Y92 N131 S132 P133 I136 L295 I314L82-F316 HydrophobicContact CB-CE2 4.2Å; L82-F316 HydrophobicContact CD2-CE2 4.1Å; L82-F316 HydrophobicContact CD2-CZ 4.33Å; G83-F316 WeakPolarHBondContact O-CD2 3.4Å; G83-F316 PolarHBondContact O-N 2.86Å; Y92-F316 VanDerWaalsContact CE1-O 3.31Å; Y92-F316 WeakPolarHBondContact CE1-O 3.15Å; Y92-F316 PolarHBondContact OH-O 2.86Å; N131-F316 HydrophobicContact CB-CD1 3.72Å; N131-F316 HydrophobicContact CB-CE1 4.06Å; S132-F316 WeakPolarHBondContact O-CE1 3.48Å; S132-F316 WeakPolarHBondContact O-CZ 3.4Å; P133-F316 HydrophobicContact CB-CE2 4.25Å; P133-F316 HydrophobicContact CG-CD2 3.66Å; P133-F316 HydrophobicContact CG-CE2 3.89Å; P133-F316 HydrophobicContact CG-CG 4.46Å; I136-F316 HydrophobicContact CG1-CE1 4.42Å; I136-F316 HydrophobicContact CG1-CZ 3.85Å; L295-F316 HydrophobicContact CD1-CE1 4.28Å; I314-F316 HydrophobicContact CB-CE2 4.48Å; I314-F316 HydrophobicContact CG2-CE1 4.31Å; I314-F316 HydrophobicContact CG2-CE2 3.99Å; I314-F316 HydrophobicContact CG2-CZ 3.83Å
317L94.6Very high93.6Very high39 Ų3933 Ų3320%0.20417%0.169CC..  trans-58.6143.6174-71.5177.6000111.5L290 L324 D327L290-L317 HydrophobicContact CD2-CD2 4.23Å; L317-L324 HydrophobicContact CD2-CD1 4.07Å; L317-D327 WeakPolarHBondContact CA-OD2 3.27Å; L317-D327 HydrophobicContact CD2-CB 4.11Å; L317-D327 WeakPolarHBondContact CD2-OD2 3.48Å
318T93Very high93.5Very high17 Ų1733 Ų3310%0.10417%0.169CC..SBendtrans-68.5-40.3177.5-56.90000111.7R85 E86 D327R85-T318 HydrophobicContact CG-CG2 4.09Å; R85-T318 WeakPolarHBondContact CG-OG1 3.47Å; R85-T318 PolarHBondContact NE-OG1 3.44Å; E86-T318 WeakPolarHBondContact O-CG2 3.4Å; T318-D327 PolarHBondContact N-OD2 2.71Å; T318-D327 PolarHBondContact OG1-OD1 3.3Å
319K87Confident93.4Very high141 Ų14137.3 Ų37.361%0.61319%0.189SC*.SBendtrans-140.8-66.1-179.4-70.8-173.7178.2-178.40112.7
320N85.5Confident93.4Very high63 Ų6339.2 Ų39.234%0.33721%0.205SC..SBendtrans-157.3-179.3-174.666.138.1000110.5Q322 G323N320-Q322 PolarHBondContact O-N 2.97Å; N320-Q322 WeakPolarHBondContact OD1-CB 3.05Å; N320-Q322 WeakPolarHBondContact OD1-CG 2.99Å; N320-Q322 PolarHBondContact OD1-N 3.05Å; N320-G323 PolarHBondContact O-N 2.81Å
321I84.4Confident93.5Very high47 Ų4738.9 Ų38.924%0.24120%0.203CC..G310 helixtrans-60.4-19.8-175.6-159.268.7000114.4Y292 G323 L324 F675Y292-I321 HydrophobicContact CD2-CD1 3.59Å; Y292-I321 HydrophobicContact CE2-CD1 4.11Å; I321-G323 PolarHBondContact O-N 3.22Å; I321-L324 HydrophobicContact CD1-CB 4.22Å; I321-L324 HydrophobicContact CD1-CD2 3.87Å; I321-L324 HydrophobicContact CD1-CG 4.42Å; I321-L324 WeakPolarHBondContact O-CB 3.31Å; I321-L324 PolarHBondContact O-N 2.98Å; I321-F675 HydrophobicContact CD1-CE2 4.42Å; I321-F675 HydrophobicContact CD1-CZ 3.93Å; I321-F675 HydrophobicContact CG1-CE1 4.4Å; I321-F675 HydrophobicContact CG1-CZ 3.87Å
322Q84.1Confident93.5Very high166 Ų16643.4 Ų43.478%0.77622%0.222SC*.G310 helixtrans-65.8-31.1176.5-57.5172.9-2.400111.2N320 L324N320-Q322 PolarHBondContact O-N 2.97Å; N320-Q322 WeakPolarHBondContact OD1-CB 3.05Å; N320-Q322 WeakPolarHBondContact OD1-CG 2.99Å; N320-Q322 PolarHBondContact OD1-N 3.05Å; Q322-L324 VanDerWaalsContact C-N 3.34Å
323G89.5Confident93.5Very high19 Ų1943.4 Ų43.420%0.19622%0.223CC..G310 helixtrans-83.2-0.9175.700000115N320 I321 L325 A326 D327N320-G323 PolarHBondContact O-N 2.81Å; I321-G323 PolarHBondContact O-N 3.22Å; G323-L325 VanDerWaalsContact C-N 3.33Å; G323-L325 PolarHBondContact O-N 3.03Å; G323-L325 VanDerWaalsContact O-N 3.15Å; G323-A326 WeakPolarHBondContact O-CB 3.38Å; G323-A326 PolarHBondContact O-N 2.84Å; G323-D327 PolarHBondContact O-N 3.49Å
324L91.7Very high93.5Very high12 Ų1241.3 Ų41.36%0.06322%0.215CC..Hα-helixtrans-49.8-47.7-170174.763000113.6L290 Y292 L317 I321 Q322 A326 D327 L328 V342L290-L324 HydrophobicContact CD2-CD1 3.8Å; Y292-L324 HydrophobicContact CD1-CD1 4.07Å; Y292-L324 HydrophobicContact CD2-CD1 3.96Å; Y292-L324 HydrophobicContact CD2-CD2 4.32Å; Y292-L324 HydrophobicContact CE2-CD2 4.28Å; Y292-L324 HydrophobicContact CG-CD1 3.68Å; L317-L324 HydrophobicContact CD2-CD1 4.07Å; I321-L324 HydrophobicContact CD1-CB 4.22Å; I321-L324 HydrophobicContact CD1-CD2 3.87Å; I321-L324 HydrophobicContact CD1-CG 4.42Å; I321-L324 WeakPolarHBondContact O-CB 3.31Å; I321-L324 PolarHBondContact O-N 2.98Å; Q322-L324 VanDerWaalsContact C-N 3.34Å; L324-A326 VanDerWaalsContact C-N 3.34Å; L324-A326 PolarHBondContact O-N 2.59Å; L324-D327 PolarHBondContact O-N 2.85Å; L324-L328 HydrophobicContact CD1-CD1 3.79Å; L324-L328 HydrophobicContact CD1-CG 3.96Å; L324-L328 HydrophobicContact CD2-CD1 4.43Å; L324-L328 HydrophobicContact CG-CD1 3.75Å; L324-L328 HydrophobicContact CG-CG 4.35Å; L324-L328 WeakPolarHBondContact O-CB 3.35Å; L324-L328 VanDerWaalsContact O-CG 3.26Å; L324-L328 WeakPolarHBondContact O-CG 3.08Å; L324-L328 PolarHBondContact O-N 3.2Å; L324-V342 HydrophobicContact CD2-CG1 4.46Å
325L91.5Very high93.3Very high80 Ų8041.3 Ų41.342%0.41922%0.215SC..Hα-helixtrans-66.3-36.8-177.6-62.3-177.7000112.4G323 L328 Q329 L346G323-L325 VanDerWaalsContact C-N 3.33Å; G323-L325 PolarHBondContact O-N 3.03Å; G323-L325 VanDerWaalsContact O-N 3.15Å; L325-L328 HydrophobicContact CD2-CD1 4.35Å; L325-Q329 WeakPolarHBondContact O-CB 3.34Å; L325-Q329 VanDerWaalsContact O-CG 3.28Å; L325-Q329 WeakPolarHBondContact O-CG 3.39Å; L325-Q329 PolarHBondContact O-N 2.77Å; L325-L346 HydrophobicContact CD2-CD2 4.41Å
326A93.8Very high93.2Very high37 Ų3741.6 Ų41.631%0.30622%0.216SC..Hα-helixtrans-68.8-37.5177.300000111.4R85 G323 L324 A330R85-A326 PolarHBondContact NH2-O 2.97Å; R85-A326 VanDerWaalsContact NH2-O 3.15Å; G323-A326 WeakPolarHBondContact O-CB 3.38Å; G323-A326 PolarHBondContact O-N 2.84Å; L324-A326 VanDerWaalsContact C-N 3.34Å; L324-A326 PolarHBondContact O-N 2.59Å; A326-A330 PolarHBondContact O-N 3.17Å; A326-A330 VanDerWaalsContact O-N 3.16Å
327D96.4Very high93.2Very high0 Ų042.9 Ų42.90%022%0.222CC..Hα-helixtrans-70.4-42.3176.3-70.2-29.3000111.7R85 Y92 L290 L317 T318 G323 L324 Q329 A330 V331R85-D327 IonicContact CZ-OD1 2.87Å; R85-D327 VanDerWaalsContact CZ-OD1 3.29Å; R85-D327 IonicContact NE-OD1 2.78Å; R85-D327 PolarHBondContact NE-OD1 3.39Å; R85-D327 VanDerWaalsContact NE-OD1 3.1Å; R85-D327 IonicContact NH2-OD1 3.93Å; R85-D327 PolarHBondContact NH2-OD1 3.23Å; Y92-D327 WeakPolarHBondContact OH-CB 3.38Å; Y92-D327 PolarHBondContact OH-OD1 3.28Å; L290-D327 HydrophobicContact CD1-CB 4.03Å; L290-D327 HydrophobicContact CD2-CB 3.92Å; L317-D327 WeakPolarHBondContact CA-OD2 3.27Å; L317-D327 HydrophobicContact CD2-CB 4.11Å; L317-D327 WeakPolarHBondContact CD2-OD2 3.48Å; T318-D327 PolarHBondContact N-OD2 2.71Å; T318-D327 PolarHBondContact OG1-OD1 3.3Å; G323-D327 PolarHBondContact O-N 3.49Å; L324-D327 PolarHBondContact O-N 2.85Å; D327-Q329 VanDerWaalsContact C-N 3.29Å; D327-Q329 PolarHBondContact O-N 2.82Å; D327-A330 PolarHBondContact O-N 2.92Å; D327-A330 VanDerWaalsContact O-N 3.17Å; D327-V331 WeakPolarHBondContact O-CG2 3.2Å; D327-V331 PolarHBondContact O-N 2.79Å
328L96Very high93.1Very high0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-60.1-39.6173.8-73.7166.8000112L290 L324 L325 A330 K332 P333 F336 L398L290-L328 HydrophobicContact CB-CD2 4.04Å; L290-L328 HydrophobicContact CD2-CB 4.4Å; L290-L328 HydrophobicContact CD2-CD2 3.5Å; L290-L328 HydrophobicContact CD2-CG 3.55Å; L290-L328 HydrophobicContact CG-CD2 4.42Å; L324-L328 HydrophobicContact CD1-CD1 3.79Å; L324-L328 HydrophobicContact CD1-CG 3.96Å; L324-L328 HydrophobicContact CD2-CD1 4.43Å; L324-L328 HydrophobicContact CG-CD1 3.75Å; L324-L328 HydrophobicContact CG-CG 4.35Å; L324-L328 WeakPolarHBondContact O-CB 3.35Å; L324-L328 VanDerWaalsContact O-CG 3.26Å; L324-L328 WeakPolarHBondContact O-CG 3.08Å; L324-L328 PolarHBondContact O-N 3.2Å; L325-L328 HydrophobicContact CD2-CD1 4.35Å; L328-A330 VanDerWaalsContact C-N 3.33Å; L328-K332 VanDerWaalsContact O-CA 3.31Å; L328-K332 WeakPolarHBondContact O-CA 3.39Å; L328-K332 PolarHBondContact O-N 2.85Å; L328-P333 HydrophobicContact CD2-CG 3.77Å; L328-P333 WeakPolarHBondContact O-CD 3.3Å; L328-F336 HydrophobicContact CD1-CE2 4.15Å; L328-F336 HydrophobicContact CD1-CZ 4.45Å; L328-F336 HydrophobicContact CD2-CD2 4.03Å; L328-F336 HydrophobicContact CD2-CE2 3.86Å; L328-L398 HydrophobicContact CD1-CD2 3.66Å
329Q95.3Very high92.9Very high90 Ų9040.4 Ų40.442%0.42121%0.208SC..Hα-helixtrans-65.1-34.6175.9-83.5177.7-20.200113.7L325 D327 K332 Q396L325-Q329 WeakPolarHBondContact O-CB 3.34Å; L325-Q329 VanDerWaalsContact O-CG 3.28Å; L325-Q329 WeakPolarHBondContact O-CG 3.39Å; L325-Q329 PolarHBondContact O-N 2.77Å; D327-Q329 VanDerWaalsContact C-N 3.29Å; D327-Q329 PolarHBondContact O-N 2.82Å; Q329-K332 WeakPolarHBondContact O-CE 3.32Å; Q329-K332 WeakPolarHBondContact O-CG 3.41Å; Q329-Q396 WeakPolarHBondContact CG-O 3.08Å; Q329-Q396 PolarHBondContact NE2-O 3.5Å
330A96.2Very high92.7Very high39 Ų3934.1 Ų34.132%0.32218%0.182SC..Hα-helixtrans-79.1-48.1178.800000111.9Y92 A326 D327 L328Y92-A330 HydrophobicContact CD2-CB 3.91Å; Y92-A330 HydrophobicContact CE2-CB 3.7Å; A326-A330 PolarHBondContact O-N 3.17Å; A326-A330 VanDerWaalsContact O-N 3.16Å; D327-A330 PolarHBondContact O-N 2.92Å; D327-A330 VanDerWaalsContact O-N 3.17Å; L328-A330 VanDerWaalsContact C-N 3.33Å
331V97.2Very high92.4Very high1 Ų135.3 Ų35.31%0.00618%0.182CC..Hα-helixtrans-69.9-35.4-180173.80000111.8Y92 L290 D327 R401Y92-V331 HydrophobicContact CD1-CG2 4.21Å; Y92-V331 HydrophobicContact CD2-CG2 4.06Å; Y92-V331 HydrophobicContact CE1-CG2 3.75Å; Y92-V331 HydrophobicContact CE2-CG2 3.56Å; Y92-V331 HydrophobicContact CG-CG2 4.37Å; L290-V331 HydrophobicContact CB-CG1 4.42Å; L290-V331 HydrophobicContact CD1-CB 4.43Å; L290-V331 HydrophobicContact CD1-CG2 3.75Å; D327-V331 WeakPolarHBondContact O-CG2 3.2Å; D327-V331 PolarHBondContact O-N 2.79Å; V331-R401 PolarHBondContact O-NH2 3.37Å
332K97.3Very high92.5Very high94 Ų9434.1 Ų34.141%0.40918%0.177SC..  trans50.667-175.4-55.2179.5-180175.40111.2S288 L328 Q329 G399 R401S288-K332 PolarHBondContact OG-O 2.73Å; L328-K332 VanDerWaalsContact O-CA 3.31Å; L328-K332 WeakPolarHBondContact O-CA 3.39Å; L328-K332 PolarHBondContact O-N 2.85Å; Q329-K332 WeakPolarHBondContact O-CE 3.32Å; Q329-K332 WeakPolarHBondContact O-CG 3.41Å; K332-G399 WeakPolarHBondContact CB-O 3.45Å; K332-G399 WeakPolarHBondContact CG-O 3.34Å; K332-R401 HydrophobicContact CB-CB 4.44Å; K332-R401 HydrophobicContact CB-CG 4.17Å; K332-R401 VanDerWaalsContact O-CZ 3.29Å; K332-R401 PolarHBondContact O-NE 2.94Å; K332-R401 PolarHBondContact O-NH2 2.84Å
333P97.8Very high92.8Very high1 Ų126.2 Ų26.21%0.00614%0.14CC..  trans-61.7152.9-175.627.8-36.3000112.7S288 L328 R401 V402S288-P333 CarbonylContact O-C 3.53Å; S288-P333 WeakPolarHBondContact O-CA 3.17Å; S288-P333 WeakPolarHBondContact O-CB 3.25Å; L328-P333 HydrophobicContact CD2-CG 3.77Å; L328-P333 WeakPolarHBondContact O-CD 3.3Å; P333-R401 CarbonylContact O-C 3.41Å; P333-R401 VanDerWaalsContact O-C 3.25Å; P333-V402 HydrophobicContact CG-CG2 4.41Å; P333-V402 PolarHBondContact O-N 3.24Å
334H97.3Very high92.5Very high19 Ų1926.3 Ų26.39%0.08814%0.138CC..SBendtrans-95.2-27.6176.4-70.591.7000112.4T286 A287 S288 K403T286-H334 PolarHBondContact O-CE1 2.86Å; T286-H334 VanDerWaalsContact O-CE1 3.32Å; A287-H334 WeakPolarHBondContact CA-ND1 3.2Å; A287-H334 HydrophobicContact CB-CB 4.11Å; S288-H334 PolarHBondContact N-ND1 3.41Å; S288-H334 PolarHBondContact O-N 2.81Å; S288-H334 PolarHBondContact OG-ND1 2.95Å; H334-K403 PolarHBondContact O-N 3.24Å
335F95.9Very high92Very high0 Ų033.9 Ų33.90%017%0.165CC..EExtended strand (participates in β ladder)trans-126.9139.2170.145.4-99.3000108.3F283 A287 H289 I303 T307 F337 V404F283-F335 AromaticContact CD1-CD1 3.87Å; F283-F335 HydrophobicContact CD1-CD1 3.87Å; F283-F335 AromaticContact CD1-CE1 3.66Å; F283-F335 HydrophobicContact CD1-CE1 3.66Å; F283-F335 HydrophobicContact CD1-CG 4.46Å; F283-F335 HydrophobicContact CD1-CZ 4.07Å; F283-F335 HydrophobicContact CE1-CB 4.42Å; F283-F335 AromaticContact CE1-CD1 3.6Å; F283-F335 HydrophobicContact CE1-CD1 3.6Å; F283-F335 AromaticContact CE1-CD2 3.94Å; F283-F335 HydrophobicContact CE1-CD2 3.94Å; F283-F335 AromaticContact CE1-CE1 3.68Å; F283-F335 HydrophobicContact CE1-CE1 3.68Å; F283-F335 AromaticContact CE1-CE2 3.97Å; F283-F335 HydrophobicContact CE1-CE2 3.97Å; F283-F335 AromaticContact CE1-CG 3.73Å; F283-F335 HydrophobicContact CE1-CG 3.73Å; F283-F335 AromaticContact CE1-CZ 3.85Å; F283-F335 HydrophobicContact CE1-CZ 3.85Å; F283-F335 HydrophobicContact CE2-CB 4.34Å; F283-F335 HydrophobicContact CE2-CD1 4.3Å; F283-F335 HydrophobicContact CE2-CG 4.42Å; F283-F335 HydrophobicContact CG-CD1 4.33Å; F283-F335 HydrophobicContact CG-CE1 4.36Å; F283-F335 HydrophobicContact CZ-CB 3.89Å; F283-F335 AromaticContact CZ-CD1 3.84Å; F283-F335 HydrophobicContact CZ-CD1 3.84Å; F283-F335 HydrophobicContact CZ-CD2 4.17Å; F283-F335 HydrophobicContact CZ-CE1 4.38Å; F283-F335 AromaticContact CZ-CG 3.71Å; F283-F335 HydrophobicContact CZ-CG 3.71Å; A287-F335 HydrophobicContact CB-CD1 4.28Å; A287-F335 HydrophobicContact CB-CE1 3.75Å; H289-F335 HydrophobicContact CB-CD2 4.39Å; H289-F335 HydrophobicContact CB-CE2 3.52Å; H289-F335 HydrophobicContact CB-CZ 3.94Å; H289-F335 AromaticContact CG-CE2 3.87Å; I303-F335 HydrophobicContact CG2-CE2 4.3Å; T307-F335 HydrophobicContact CG2-CZ 4.03Å; T307-F335 WeakPolarHBondContact OG1-CZ 3.34Å; F335-F337 HydrophobicContact CB-CE2 4.37Å; F335-F337 AromaticContact CD2-CD2 3.75Å; F335-F337 HydrophobicContact CD2-CD2 3.75Å; F335-F337 AromaticContact CD2-CE2 3.49Å; F335-F337 HydrophobicContact CD2-CE2 3.49Å; F335-F337 VanDerWaalsContact CD2-CE2 3.49Å; F335-F337 HydrophobicContact CE2-CD2 4.37Å; F335-F337 HydrophobicContact CE2-CE2 4.05Å; F335-F337 HydrophobicContact CG-CE2 4.2Å; F335-V404 WeakPolarHBondContact CA-O 3.38Å; F335-V404 HydrophobicContact CB-CG1 3.52Å
336F96.5Very high91.8Very high5 Ų531 Ų312%0.02215%0.15CC..EExtended strand (participates in β ladder)trans-122.199.9-177.7-178.3-122.3000109.9Y292 L328 T338 V342 L398 V402 V404 I405 V406Y292-F336 AromaticContact CE1-CE2 3.79Å; Y292-F336 HydrophobicContact CE1-CE2 3.79Å; Y292-F336 HydrophobicContact CE1-CZ 4.36Å; L328-F336 HydrophobicContact CD1-CE2 4.15Å; L328-F336 HydrophobicContact CD1-CZ 4.45Å; L328-F336 HydrophobicContact CD2-CD2 4.03Å; L328-F336 HydrophobicContact CD2-CE2 3.86Å; F336-T338 HydrophobicContact CD1-CG2 4.07Å; F336-T338 VanDerWaalsContact CE1-CB 3.49Å; F336-T338 HydrophobicContact CE1-CG2 3.84Å; F336-V342 HydrophobicContact CE1-CG1 4.44Å; F336-V342 HydrophobicContact CZ-CG1 4.05Å; F336-L398 HydrophobicContact CD1-CD1 3.64Å; F336-L398 HydrophobicContact CE1-CD1 3.9Å; F336-L398 HydrophobicContact CE1-CD2 4.22Å; F336-L398 HydrophobicContact CG-CD1 4.18Å; F336-L398 HydrophobicContact CZ-CD2 4.28Å; F336-V402 HydrophobicContact CB-CG1 4.07Å; F336-V402 HydrophobicContact CB-CG2 4.14Å; F336-V404 PolarHBondContact N-O 2.86Å; F336-I405 HydrophobicContact CB-CG1 4.32Å; F336-I405 HydrophobicContact CD1-CG1 4.4Å; F336-I405 HydrophobicContact CD1-CG2 4.31Å; F336-I405 WeakPolarHBondContact O-CA 3.42Å; F336-V406 PolarHBondContact O-N 3.26Å
337F95.4Very high91.6Very high31 Ų3130.5 Ų30.514%0.13614%0.141CC..EExtended strand (participates in β ladder)trans-82131.7169.9-70.9-94.4000109.3F283 Y292 I303 F335 V406F283-F337 HydrophobicContact CE1-CE2 4.05Å; F283-F337 HydrophobicContact CE1-CZ 4.25Å; F283-F337 AromaticContact CZ-CE2 3.87Å; F283-F337 HydrophobicContact CZ-CE2 3.87Å; F283-F337 AromaticContact CZ-CZ 3.89Å; F283-F337 HydrophobicContact CZ-CZ 3.89Å; Y292-F337 WeakPolarHBondContact CE1-O 3.44Å; I303-F337 HydrophobicContact CB-CD2 4.34Å; I303-F337 HydrophobicContact CD1-CB 3.31Å; I303-F337 HydrophobicContact CD1-CD1 3.63Å; I303-F337 HydrophobicContact CD1-CD2 3.95Å; I303-F337 HydrophobicContact CD1-CE1 4.41Å; I303-F337 HydrophobicContact CD1-CG 3.36Å; I303-F337 HydrophobicContact CG1-CB 4.1Å; I303-F337 HydrophobicContact CG1-CD1 3.63Å; I303-F337 HydrophobicContact CG1-CD2 3.77Å; I303-F337 HydrophobicContact CG1-CE1 3.91Å; I303-F337 HydrophobicContact CG1-CE2 4.04Å; I303-F337 HydrophobicContact CG1-CG 3.56Å; I303-F337 HydrophobicContact CG1-CZ 4.12Å; I303-F337 HydrophobicContact CG2-CD2 3.57Å; I303-F337 HydrophobicContact CG2-CE2 3.82Å; I303-F337 HydrophobicContact CG2-CG 4.17Å; F335-F337 HydrophobicContact CB-CE2 4.37Å; F335-F337 AromaticContact CD2-CD2 3.75Å; F335-F337 HydrophobicContact CD2-CD2 3.75Å; F335-F337 AromaticContact CD2-CE2 3.49Å; F335-F337 HydrophobicContact CD2-CE2 3.49Å; F335-F337 VanDerWaalsContact CD2-CE2 3.49Å; F335-F337 HydrophobicContact CE2-CD2 4.37Å; F335-F337 HydrophobicContact CE2-CE2 4.05Å; F335-F337 HydrophobicContact CG-CE2 4.2Å; F337-V406 CarbonylContact C-O 3.53Å; F337-V406 WeakPolarHBondContact CA-O 3.37Å; F337-V406 HydrophobicContact CD1-CB 3.54Å; F337-V406 HydrophobicContact CD1-CG1 3.84Å; F337-V406 HydrophobicContact CD1-CG2 4.04Å; F337-V406 HydrophobicContact CE1-CB 3.69Å; F337-V406 HydrophobicContact CE1-CG1 3.82Å; F337-V406 HydrophobicContact CE1-CG2 3.72Å; F337-V406 HydrophobicContact CG-CB 4.24Å; F337-V406 HydrophobicContact CZ-CB 4.48Å; F337-V406 HydrophobicContact CZ-CG2 4.08Å
338T93.6Very high90.9Very high0 Ų033.1 Ų33.10%016%0.159CC..EExtended strand (participates in β ladder)trans-150.8172.9-171.1-172.50000112.7Y292 F336 V342 L343 I405 V406 S407 G408Y292-T338 WeakPolarHBondContact OH-CA 3.4Å; Y292-T338 PolarHBondContact OH-OG1 3.27Å; F336-T338 HydrophobicContact CD1-CG2 4.07Å; F336-T338 VanDerWaalsContact CE1-CB 3.49Å; F336-T338 HydrophobicContact CE1-CG2 3.84Å; T338-V342 WeakPolarHBondContact OG1-CB 3.15Å; T338-L343 HydrophobicContact CG2-CD1 3.97Å; T338-L343 HydrophobicContact CG2-CD2 3.85Å; T338-L343 HydrophobicContact CG2-CG 3.76Å; T338-I405 HydrophobicContact CG2-CG2 3.92Å; T338-V406 PolarHBondContact N-O 3.33Å; T338-S407 WeakPolarHBondContact O-CA 3.42Å; T338-G408 PolarHBondContact O-N 2.89Å
339V87.7Confident90.4Very high3 Ų336.2 Ų36.22%0.01818%0.178CC..  trans-111.9155.4172.9-63.60000110.2L293 M299 R341 V342 F675L293-V339 HydrophobicContact CD2-CG1 3.98Å; M299-V339 HydrophobicContact CE-CG1 4.17Å; V339-R341 HydrophobicContact CG2-CB 4.43Å; V339-R341 PolarHBondContact O-N 3.18Å; V339-R341 VanDerWaalsContact O-N 3.13Å; V339-V342 HydrophobicContact CG2-CB 4.49Å; V339-V342 HydrophobicContact CG2-CG2 3.85Å; V339-V342 PolarHBondContact O-N 2.78Å; V339-V342 VanDerWaalsContact O-N 3.08Å; V339-F675 HydrophobicContact CG2-CB 4.14Å; V339-F675 HydrophobicContact CG2-CD2 4.01Å; V339-F675 HydrophobicContact CG2-CG 4.41Å
340P83.6Confident90.1Very high9 Ų932.3 Ų32.36%0.05816%0.161CC..Hα-helixtrans-52.8-39.3-177.6-22.124.6000113.1V342 L343 S344 G408 A410 P411 V412P340-V342 VanDerWaalsContact C-N 3.27Å; P340-V342 PolarHBondContact O-N 3.36Å; P340-L343 PolarHBondContact O-N 3.14Å; P340-L343 VanDerWaalsContact O-N 3.1Å; P340-S344 PolarHBondContact O-N 3.33Å; P340-S344 PolarHBondContact O-OG 2.73Å; P340-G408 WeakPolarHBondContact CD-O 3.11Å; P340-A410 HydrophobicContact CG-CB 3.83Å; P340-A410 WeakPolarHBondContact CG-O 3.44Å; P340-P411 WeakPolarHBondContact CB-O 3.5Å; P340-P411 WeakPolarHBondContact CG-O 3.34Å; P340-V412 HydrophobicContact CB-CB 4.43Å; P340-V412 HydrophobicContact CB-CG2 3.92Å; P340-V412 HydrophobicContact CG-CG2 3.64Å
341R79.7Confident89.7Confident88 Ų8831.3 Ų31.333%0.33215%0.15SC..Hα-helixtrans-56.4-38.9-179-171.6-179.8-179.2172.1-4.8113V339 R345 F664 F675V339-R341 HydrophobicContact CG2-CB 4.43Å; V339-R341 PolarHBondContact O-N 3.18Å; V339-R341 VanDerWaalsContact O-N 3.13Å; R341-R345 WeakPolarHBondContact O-CB 3.43Å; R341-R345 PolarHBondContact O-N 2.8Å; R341-F664 PolarHBondContact NH2-O 2.9Å; R341-F675 HydrophobicContact CB-CB 4.28Å
342V86.2Confident89.1Confident22 Ų2236.1 Ų36.113%0.13317%0.172CC..Hα-helixtrans-71-41.2179.4174.60000110.5Y292 L324 F336 T338 V339 P340 R345 L346Y292-V342 HydrophobicContact CE2-CG2 4.43Å; L324-V342 HydrophobicContact CD2-CG1 4.46Å; F336-V342 HydrophobicContact CE1-CG1 4.44Å; F336-V342 HydrophobicContact CZ-CG1 4.05Å; T338-V342 WeakPolarHBondContact OG1-CB 3.15Å; V339-V342 HydrophobicContact CG2-CB 4.49Å; V339-V342 HydrophobicContact CG2-CG2 3.85Å; V339-V342 PolarHBondContact O-N 2.78Å; V339-V342 VanDerWaalsContact O-N 3.08Å; P340-V342 VanDerWaalsContact C-N 3.27Å; P340-V342 PolarHBondContact O-N 3.36Å; V342-R345 PolarHBondContact O-N 2.8Å; V342-L346 WeakPolarHBondContact O-CG 3.45Å; V342-L346 PolarHBondContact O-N 3.29Å
343L89.6Confident88.6Confident1 Ų137.8 Ų37.81%0.00518%0.179CC..Hα-helixtrans-64.7-43.3175.3-64-178.2000111.9T338 P340 R345 L346 Y347 I405 I416 T420T338-L343 HydrophobicContact CG2-CD1 3.97Å; T338-L343 HydrophobicContact CG2-CD2 3.85Å; T338-L343 HydrophobicContact CG2-CG 3.76Å; P340-L343 PolarHBondContact O-N 3.14Å; P340-L343 VanDerWaalsContact O-N 3.1Å; L343-R345 VanDerWaalsContact C-N 3.3Å; L343-R345 PolarHBondContact O-N 2.64Å; L343-L346 HydrophobicContact CD2-CD1 4.41Å; L343-L346 PolarHBondContact O-N 3.3Å; L343-Y347 PolarHBondContact O-N 3.37Å; L343-I405 HydrophobicContact CD2-CG2 4.32Å; L343-I416 HydrophobicContact CB-CG2 3.54Å; L343-T420 HydrophobicContact CD2-CG2 4Å
344S83Confident88.2Confident21 Ų2138.2 Ų38.215%0.14718%0.182CC..Hα-helixtrans-60.4-40174.6-61.10000111.7P340 Y347 S348P340-S344 PolarHBondContact O-N 3.33Å; P340-S344 PolarHBondContact O-OG 2.73Å; S344-Y347 WeakPolarHBondContact O-CB 3.49Å; S344-Y347 PolarHBondContact O-N 2.99Å; S344-S348 PolarHBondContact O-N 3.32Å; S344-S348 PolarHBondContact O-OG 2.91Å; S344-S348 VanDerWaalsContact O-OG 3.1Å
345R81.9Confident87.5Confident170 Ų17040 Ų4064%0.64220%0.196SC*.Hα-helixtrans-63.6-43.9175-172.5177.5-177.4-177.31.3112.1R341 V342 L343 Y347 S348 V349R341-R345 WeakPolarHBondContact O-CB 3.43Å; R341-R345 PolarHBondContact O-N 2.8Å; V342-R345 PolarHBondContact O-N 2.8Å; L343-R345 VanDerWaalsContact C-N 3.3Å; L343-R345 PolarHBondContact O-N 2.64Å; R345-Y347 VanDerWaalsContact C-N 3.31Å; R345-Y347 PolarHBondContact O-N 2.97Å; R345-S348 PolarHBondContact O-N 3.08Å; R345-V349 VanDerWaalsContact O-CG2 3.32Å; R345-V349 WeakPolarHBondContact O-CG2 3.48Å; R345-V349 PolarHBondContact O-N 2.97Å
346L87.9Confident86.8Confident19 Ų1943.8 Ų43.810%0.09922%0.223CC..Hα-helixtrans-60.3-42.6175.4-71.8169.3000111.5L325 V342 L343 A350 L398L325-L346 HydrophobicContact CD2-CD2 4.41Å; V342-L346 WeakPolarHBondContact O-CG 3.45Å; V342-L346 PolarHBondContact O-N 3.29Å; L343-L346 HydrophobicContact CD2-CD1 4.41Å; L343-L346 PolarHBondContact O-N 3.3Å; L346-A350 WeakPolarHBondContact O-CB 3.28Å; L346-A350 PolarHBondContact O-N 2.96Å; L346-L398 HydrophobicContact CD1-CD1 4.5Å; L346-L398 HydrophobicContact CD1-CD2 4.12Å
347Y89.7Confident86.4Confident27 Ų2747 Ų4711%0.10624%0.243CC..Hα-helixtrans-59.3-52.9174.2174.1-98.9000111.8L343 S344 R345 V349 A350 M351 E415 I416 F419 L554L343-Y347 PolarHBondContact O-N 3.37Å; S344-Y347 WeakPolarHBondContact O-CB 3.49Å; S344-Y347 PolarHBondContact O-N 2.99Å; R345-Y347 VanDerWaalsContact C-N 3.31Å; R345-Y347 PolarHBondContact O-N 2.97Å; Y347-V349 VanDerWaalsContact C-N 3.32Å; Y347-V349 PolarHBondContact O-N 3.29Å; Y347-A350 WeakPolarHBondContact O-CB 3.18Å; Y347-A350 PolarHBondContact O-N 3.14Å; Y347-A350 VanDerWaalsContact O-N 3.08Å; Y347-M351 HydrophobicContact CD1-CG 4Å; Y347-M351 HydrophobicContact CD2-CG 4.08Å; Y347-M351 HydrophobicContact CE1-CG 3.61Å; Y347-M351 HydrophobicContact CE2-CE 4.18Å; Y347-M351 HydrophobicContact CE2-CG 3.69Å; Y347-M351 HydrophobicContact CE2-SD 3.98Å; Y347-M351 HydrophobicContact CG-CG 4.24Å; Y347-M351 VanDerWaalsContact CZ-CG 3.44Å; Y347-M351 WeakPolarHBondContact O-CB 3.39Å; Y347-M351 WeakPolarHBondContact O-CG 3.48Å; Y347-M351 PolarHBondContact O-N 2.68Å; Y347-E415 HydrophobicContact CE2-CG 4.26Å; Y347-I416 VanDerWaalsContact CB-CD1 3.5Å; Y347-I416 HydrophobicContact CD1-CD1 3.49Å; Y347-I416 VanDerWaalsContact CD1-CD1 3.49Å; Y347-I416 HydrophobicContact CD2-CD1 3.96Å; Y347-I416 HydrophobicContact CE1-CD1 4.15Å; Y347-I416 HydrophobicContact CG-CD1 3.36Å; Y347-F419 HydrophobicContact CD2-CB 3.8Å; Y347-F419 AromaticContact CD2-CD1 3.92Å; Y347-F419 HydrophobicContact CD2-CD1 3.92Å; Y347-F419 AromaticContact CD2-CD2 3.65Å; Y347-F419 HydrophobicContact CD2-CD2 3.65Å; Y347-F419 HydrophobicContact CD2-CE1 4.4Å; Y347-F419 HydrophobicContact CD2-CE2 4.11Å; Y347-F419 AromaticContact CD2-CG 3.52Å; Y347-F419 HydrophobicContact CD2-CG 3.52Å; Y347-F419 HydrophobicContact CD2-CZ 4.48Å; Y347-F419 HydrophobicContact CE2-CB 4.21Å; Y347-F419 HydrophobicContact CE2-CD2 4.19Å; Y347-F419 HydrophobicContact CE2-CG 4.26Å; Y347-F419 HydrophobicContact CG-CD1 4.5Å; Y347-F419 HydrophobicContact CG-CG 4.5Å; Y347-L554 HydrophobicContact CE1-CD2 4.29Å
348S81.9Confident86Confident56 Ų5650.3 Ų50.339%0.39227%0.268SS..Hα-helixtrans-59.3-42.1-178.8-61.50000112.2S344 R345 A350 M351 E352S344-S348 PolarHBondContact O-N 3.32Å; S344-S348 PolarHBondContact O-OG 2.91Å; S344-S348 VanDerWaalsContact O-OG 3.1Å; R345-S348 PolarHBondContact O-N 3.08Å; S348-A350 VanDerWaalsContact C-N 3.34Å; S348-A350 PolarHBondContact O-N 2.71Å; S348-M351 PolarHBondContact O-N 2.73Å; S348-E352 WeakPolarHBondContact O-CB 3.36Å; S348-E352 PolarHBondContact O-N 3.15Å
349V85.3Confident85.9Confident65 Ų6556.2 Ų56.239%0.39430%0.298SS..Hα-helixtrans-64.9-37.1176.51710000111.9R345 Y347R345-V349 VanDerWaalsContact O-CG2 3.32Å; R345-V349 WeakPolarHBondContact O-CG2 3.48Å; R345-V349 PolarHBondContact O-N 2.97Å; Y347-V349 VanDerWaalsContact C-N 3.32Å; Y347-V349 PolarHBondContact O-N 3.29Å
350A89.5Confident86.2Confident7 Ų758.9 Ų58.96%0.05831%0.312CS..Hα-helixtrans-68.5-45.6174.700000111.3L346 Y347 S348 E352 K353 V354 I394 F419L346-A350 WeakPolarHBondContact O-CB 3.28Å; L346-A350 PolarHBondContact O-N 2.96Å; Y347-A350 WeakPolarHBondContact O-CB 3.18Å; Y347-A350 PolarHBondContact O-N 3.14Å; Y347-A350 VanDerWaalsContact O-N 3.08Å; S348-A350 VanDerWaalsContact C-N 3.34Å; S348-A350 PolarHBondContact O-N 2.71Å; A350-E352 PolarHBondContact O-N 3.45Å; A350-K353 PolarHBondContact O-N 2.98Å; A350-V354 PolarHBondContact O-N 3.31Å; A350-I394 HydrophobicContact CB-CD1 3.98Å; A350-F419 HydrophobicContact CB-CE2 3.74Å; A350-F419 HydrophobicContact CB-CZ 3.64Å
351M87.3Confident86.6Confident19 Ų1960.7 Ų60.79%0.09432%0.321CS..Hα-helixtrans-61.6-41.2178.3-72.5-59.8100.500112.5Y347 S348 K353 V354 S355 L361 F364Y347-M351 HydrophobicContact CD1-CG 4Å; Y347-M351 HydrophobicContact CD2-CG 4.08Å; Y347-M351 HydrophobicContact CE1-CG 3.61Å; Y347-M351 HydrophobicContact CE2-CE 4.18Å; Y347-M351 HydrophobicContact CE2-CG 3.69Å; Y347-M351 HydrophobicContact CE2-SD 3.98Å; Y347-M351 HydrophobicContact CG-CG 4.24Å; Y347-M351 VanDerWaalsContact CZ-CG 3.44Å; Y347-M351 WeakPolarHBondContact O-CB 3.39Å; Y347-M351 WeakPolarHBondContact O-CG 3.48Å; Y347-M351 PolarHBondContact O-N 2.68Å; S348-M351 PolarHBondContact O-N 2.73Å; M351-K353 PolarHBondContact O-N 3.3Å; M351-V354 HydrophobicContact CE-CG2 3.93Å; M351-V354 PolarHBondContact O-N 2.9Å; M351-V354 VanDerWaalsContact O-N 3.15Å; M351-V354 HydrophobicContact SD-CG2 4.41Å; M351-S355 WeakPolarHBondContact O-CB 3.11Å; M351-S355 PolarHBondContact O-N 3.32Å; M351-S355 PolarHBondContact O-OG 2.85Å; M351-L361 HydrophobicContact SD-CD1 4.19Å; M351-F364 HydrophobicContact CE-CD1 3.49Å; M351-F364 VanDerWaalsContact CE-CD1 3.49Å; M351-F364 HydrophobicContact CE-CE1 3.16Å; M351-F364 HydrophobicContact CE-CZ 4.06Å
352E85Confident87.1Confident102 Ų10260.3 Ų60.348%0.47733%0.332SS..Hα-helixtrans-56.3-37.9177.7-172.6-176.1172.400111.8S348 A350 K581S348-E352 WeakPolarHBondContact O-CB 3.36Å; S348-E352 PolarHBondContact O-N 3.15Å; A350-E352 PolarHBondContact O-N 3.45Å; E352-K581 IonicContact OE1-NZ 2.71Å; E352-K581 PolarHBondContact OE1-NZ 3.46Å
353K86.7Confident87.5Confident128 Ų12862.4 Ų62.456%0.55734%0.342SS*.Hα-helixtrans-72.4-29-178.9-70.1174.5-179.7168.80113.7A350 M351A350-K353 PolarHBondContact O-N 2.98Å; M351-K353 PolarHBondContact O-N 3.3Å
354V89.2Confident87.8Confident10 Ų1062.5 Ų62.56%0.06134%0.342CS..Hα-helixtrans-106.6-22.5-173.4-59.80000113.6A350 M351 S356 V357 L360 L361 F364A350-V354 PolarHBondContact O-N 3.31Å; M351-V354 HydrophobicContact CE-CG2 3.93Å; M351-V354 PolarHBondContact O-N 2.9Å; M351-V354 VanDerWaalsContact O-N 3.15Å; M351-V354 HydrophobicContact SD-CG2 4.41Å; V354-S356 VanDerWaalsContact C-N 3.27Å; V354-S356 PolarHBondContact O-N 3.47Å; V354-V357 PolarHBondContact O-N 3.41Å; V354-L360 HydrophobicContact CB-CD2 4.41Å; V354-L360 HydrophobicContact CB-CG 4.28Å; V354-L360 HydrophobicContact CG1-CD2 4.39Å; V354-L360 HydrophobicContact CG1-CG 4.37Å; V354-L361 HydrophobicContact CG2-CD1 3.99Å; V354-L361 PolarHBondContact O-N 3.22Å; V354-F364 HydrophobicContact CB-CB 4.28Å; V354-F364 HydrophobicContact CB-CG 4.38Å; V354-F364 HydrophobicContact CG1-CB 4.25Å; V354-F364 HydrophobicContact CG1-CD2 3.88Å; V354-F364 HydrophobicContact CG1-CG 4.08Å; V354-F364 HydrophobicContact CG2-CB 4.23Å; V354-F364 HydrophobicContact CG2-CD1 4.15Å; V354-F364 HydrophobicContact CG2-CG 4.03Å
355S82.9Confident88.2Confident56 Ų5664.9 Ų64.939%0.39235%0.353SS..THydrogen-bonded Turntrans-75.4-13-172.9-59.40000114.1M351 V357M351-S355 WeakPolarHBondContact O-CB 3.11Å; M351-S355 PolarHBondContact O-N 3.32Å; M351-S355 PolarHBondContact O-OG 2.85Å; S355-V357 PolarHBondContact O-N 3.41Å
356S81Confident88.9Confident81 Ų8164 Ų6457%0.56635%0.351SS*.THydrogen-bonded Turntrans-68.8-23.6177.356.70000113.1V354V354-S356 VanDerWaalsContact C-N 3.27Å; V354-S356 PolarHBondContact O-N 3.47Å
357V87.9Confident89.2Confident72 Ų7263.1 Ų63.144%0.43635%0.347SS..SBendtrans-123.7111.9-179.1-179.90000108.9V354 S355 L359 L360 L361V354-V357 PolarHBondContact O-N 3.41Å; S355-V357 PolarHBondContact O-N 3.41Å; V357-L359 VanDerWaalsContact C-N 3.3Å; V357-L359 PolarHBondContact O-N 3.01Å; V357-L360 HydrophobicContact CB-CB 3.8Å; V357-L360 HydrophobicContact CG1-CB 4.01Å; V357-L360 WeakPolarHBondContact O-CB 3.18Å; V357-L360 PolarHBondContact O-N 2.98Å; V357-L361 PolarHBondContact O-N 3.16Å
358P87.4Confident89.5Confident101 Ų10162.3 Ų62.366%0.65634%0.344SS*.Hα-helixtrans-56.5-38.9-174.6-28.635000114.4L361 S362P358-L361 PolarHBondContact O-N 2.77Å; P358-S362 PolarHBondContact O-N 2.96Å
359L91.5Very high90.1Very high123 Ų12363.7 Ų63.764%0.64435%0.345SS*.Hα-helixtrans-65.1-42.3176.418061.7000111.6V357 L361 S362 I363V357-L359 VanDerWaalsContact C-N 3.3Å; V357-L359 PolarHBondContact O-N 3.01Å; L359-L361 VanDerWaalsContact C-N 3.35Å; L359-S362 PolarHBondContact O-N 3.44Å; L359-I363 HydrophobicContact CD1-CD1 4.14Å; L359-I363 HydrophobicContact CD1-CG1 4.39Å; L359-I363 HydrophobicContact CG-CD1 3.95Å; L359-I363 VanDerWaalsContact O-CG1 3.28Å; L359-I363 WeakPolarHBondContact O-CG1 3.49Å; L359-I363 PolarHBondContact O-N 3.12Å
360L92.7Very high90.5Very high60 Ų6062.2 Ų62.231%0.31434%0.337SS..Hα-helixtrans-64.5-41.9178-173.262.5000111V354 V357 I363 F364 F390V354-L360 HydrophobicContact CB-CD2 4.41Å; V354-L360 HydrophobicContact CB-CG 4.28Å; V354-L360 HydrophobicContact CG1-CD2 4.39Å; V354-L360 HydrophobicContact CG1-CG 4.37Å; V357-L360 HydrophobicContact CB-CB 3.8Å; V357-L360 HydrophobicContact CG1-CB 4.01Å; V357-L360 WeakPolarHBondContact O-CB 3.18Å; V357-L360 PolarHBondContact O-N 2.98Å; L360-I363 PolarHBondContact O-N 3.26Å; L360-F364 WeakPolarHBondContact O-CB 3.5Å; L360-F364 PolarHBondContact O-N 3.48Å; L360-F390 HydrophobicContact CD1-CE1 3.8Å; L360-F390 HydrophobicContact CD1-CZ 3.81Å
361L91.3Very high90.7Very high47 Ų4762 Ų6225%0.24634%0.335CS..Hα-helixtrans-59.8-46.1174.1178.961.7000111.6M351 V354 V357 P358 L359 I363 F364 N365M351-L361 HydrophobicContact SD-CD1 4.19Å; V354-L361 HydrophobicContact CG2-CD1 3.99Å; V354-L361 PolarHBondContact O-N 3.22Å; V357-L361 PolarHBondContact O-N 3.16Å; P358-L361 PolarHBondContact O-N 2.77Å; L359-L361 VanDerWaalsContact C-N 3.35Å; L361-I363 PolarHBondContact O-N 2.92Å; L361-F364 PolarHBondContact O-N 2.85Å; L361-N365 WeakPolarHBondContact O-CB 3.49Å; L361-N365 VanDerWaalsContact O-CG 3.28Å; L361-N365 PolarHBondContact O-N 3.03Å; L361-N365 PolarHBondContact O-ND2 2.78Å
362S91.5Very high91.1Very high80 Ų8061.5 Ų61.556%0.55933%0.333SS*.Hα-helixtrans-61.2-44176.2-80.50000112.4P358 L359 N365 Y366P358-S362 PolarHBondContact O-N 2.96Å; L359-S362 PolarHBondContact O-N 3.44Å; S362-N365 PolarHBondContact O-N 3.15Å; S362-Y366 WeakPolarHBondContact O-CB 3.48Å; S362-Y366 PolarHBondContact O-N 3.4Å
363I94.6Very high91.5Very high65 Ų6559 Ų5933%0.33333%0.329SS..Hα-helixtrans-64.8-41.6177-66.2166.5000110.6L359 L360 L361 Y366 A367 W386 F390L359-I363 HydrophobicContact CD1-CD1 4.14Å; L359-I363 HydrophobicContact CD1-CG1 4.39Å; L359-I363 HydrophobicContact CG-CD1 3.95Å; L359-I363 VanDerWaalsContact O-CG1 3.28Å; L359-I363 WeakPolarHBondContact O-CG1 3.49Å; L359-I363 PolarHBondContact O-N 3.12Å; L360-I363 PolarHBondContact O-N 3.26Å; L361-I363 PolarHBondContact O-N 2.92Å; I363-Y366 PolarHBondContact O-N 3.08Å; I363-A367 WeakPolarHBondContact O-CB 3.45Å; I363-A367 PolarHBondContact O-N 2.97Å; I363-W386 HydrophobicContact CG2-CH2 4.42Å; I363-W386 HydrophobicContact CG2-CZ3 3.95Å; I363-F390 HydrophobicContact CG2-CE2 3.96Å; I363-F390 HydrophobicContact CG2-CZ 4.14Å
364F94.6Very high91.8Very high3 Ų354.1 Ų54.11%0.01331%0.309CS..Hα-helixtrans-62.8-45.9177.7-177-88.5000111.7M351 V354 L360 L361 Y366 A367 V368 F390 F391 I394 F419 V423M351-F364 HydrophobicContact CE-CD1 3.49Å; M351-F364 VanDerWaalsContact CE-CD1 3.49Å; M351-F364 HydrophobicContact CE-CE1 3.16Å; M351-F364 HydrophobicContact CE-CZ 4.06Å; V354-F364 HydrophobicContact CB-CB 4.28Å; V354-F364 HydrophobicContact CB-CG 4.38Å; V354-F364 HydrophobicContact CG1-CB 4.25Å; V354-F364 HydrophobicContact CG1-CD2 3.88Å; V354-F364 HydrophobicContact CG1-CG 4.08Å; V354-F364 HydrophobicContact CG2-CB 4.23Å; V354-F364 HydrophobicContact CG2-CD1 4.15Å; V354-F364 HydrophobicContact CG2-CG 4.03Å; L360-F364 WeakPolarHBondContact O-CB 3.5Å; L360-F364 PolarHBondContact O-N 3.48Å; L361-F364 PolarHBondContact O-N 2.85Å; F364-Y366 VanDerWaalsContact C-N 3.33Å; F364-Y366 PolarHBondContact O-N 3.29Å; F364-A367 WeakPolarHBondContact O-CB 3.17Å; F364-A367 PolarHBondContact O-N 3.39Å; F364-A367 VanDerWaalsContact O-N 3.15Å; F364-V368 HydrophobicContact CD1-CG2 4.09Å; F364-V368 HydrophobicContact CE1-CG2 3.55Å; F364-V368 HydrophobicContact CZ-CG2 3.96Å; F364-V368 WeakPolarHBondContact O-CG2 3.4Å; F364-V368 PolarHBondContact O-N 3.36Å; F364-F390 HydrophobicContact CD2-CB 4.14Å; F364-F390 AromaticContact CD2-CD1 3.77Å; F364-F390 HydrophobicContact CD2-CD1 3.77Å; F364-F390 HydrophobicContact CD2-CD2 4.18Å; F364-F390 HydrophobicContact CD2-CE1 4.18Å; F364-F390 AromaticContact CD2-CG 3.77Å; F364-F390 HydrophobicContact CD2-CG 3.77Å; F364-F390 HydrophobicContact CE2-CB 4.03Å; F364-F390 HydrophobicContact CE2-CD1 4.34Å; F364-F390 HydrophobicContact CE2-CG 4.18Å; F364-F391 HydrophobicContact CD2-CE1 4.44Å; F364-F391 HydrophobicContact CE2-CD1 4.31Å; F364-F391 AromaticContact CE2-CE1 3.78Å; F364-F391 HydrophobicContact CE2-CE1 3.78Å; F364-F391 HydrophobicContact CZ-CE1 4.01Å; F364-I394 HydrophobicContact CE2-CD1 4.23Å; F364-I394 HydrophobicContact CZ-CD1 4.32Å; F364-F419 HydrophobicContact CE1-CD2 4.27Å; F364-F419 HydrophobicContact CE1-CE2 4.12Å; F364-F419 HydrophobicContact CZ-CD2 4.39Å; F364-F419 AromaticContact CZ-CE2 3.88Å; F364-F419 HydrophobicContact CZ-CE2 3.88Å; F364-V423 HydrophobicContact CZ-CG2 4.4Å
365N92.8Very high91.9Very high72 Ų7254 Ų5439%0.38531%0.307SS..Hα-helixtrans-62.5-42.1177-71-22.5000111.3L361 S362 A367 V368 E369L361-N365 WeakPolarHBondContact O-CB 3.49Å; L361-N365 VanDerWaalsContact O-CG 3.28Å; L361-N365 PolarHBondContact O-N 3.03Å; L361-N365 PolarHBondContact O-ND2 2.78Å; S362-N365 PolarHBondContact O-N 3.15Å; N365-A367 VanDerWaalsContact C-N 3.31Å; N365-A367 PolarHBondContact O-N 2.88Å; N365-V368 PolarHBondContact O-N 3.06Å; N365-E369 WeakPolarHBondContact O-CG 3.45Å; N365-E369 PolarHBondContact O-N 2.91Å
366Y95.3Very high92.2Very high152 Ų15255.9 Ų55.960%0.59631%0.31SS*.Hα-helixtrans-60.2-41.8173.2-178.9-96.2000112.1S362 I363 F364 V368 E369 S370 W386S362-Y366 WeakPolarHBondContact O-CB 3.48Å; S362-Y366 PolarHBondContact O-N 3.4Å; I363-Y366 PolarHBondContact O-N 3.08Å; F364-Y366 VanDerWaalsContact C-N 3.33Å; F364-Y366 PolarHBondContact O-N 3.29Å; Y366-V368 PolarHBondContact O-N 3.49Å; Y366-E369 PolarHBondContact O-N 3.3Å; Y366-S370 VanDerWaalsContact O-CB 3.27Å; Y366-S370 WeakPolarHBondContact O-CB 3.27Å; Y366-S370 PolarHBondContact O-N 3.44Å; Y366-W386 HydrophobicContact CD1-CH2 4.19Å; Y366-W386 AromaticContact CD1-CZ2 3.71Å; Y366-W386 HydrophobicContact CD1-CZ2 3.71Å; Y366-W386 HydrophobicContact CE1-CH2 4.47Å; Y366-W386 AromaticContact CE1-CZ2 3.71Å; Y366-W386 HydrophobicContact CE1-CZ2 3.71Å
367A95.2Very high92.6Very high0 Ų058.4 Ų58.40%031%0.311CS..Hα-helixtrans-60.7-44.5176.500000111.6I363 F364 N365 S370 K371 W386 F390 F391I363-A367 WeakPolarHBondContact O-CB 3.45Å; I363-A367 PolarHBondContact O-N 2.97Å; F364-A367 WeakPolarHBondContact O-CB 3.17Å; F364-A367 PolarHBondContact O-N 3.39Å; F364-A367 VanDerWaalsContact O-N 3.15Å; N365-A367 VanDerWaalsContact C-N 3.31Å; N365-A367 PolarHBondContact O-N 2.88Å; A367-S370 PolarHBondContact O-N 3.17Å; A367-K371 WeakPolarHBondContact O-CG 3.26Å; A367-K371 PolarHBondContact O-N 3.3Å; A367-K371 VanDerWaalsContact O-N 3.16Å; A367-W386 HydrophobicContact CB-CB 3.95Å; A367-W386 HydrophobicContact CB-CD2 3.47Å; A367-W386 VanDerWaalsContact CB-CD2 3.47Å; A367-W386 HydrophobicContact CB-CE3 3.62Å; A367-W386 HydrophobicContact CB-CG 3.61Å; A367-W386 HydrophobicContact CB-CZ3 4.35Å; A367-F390 HydrophobicContact CB-CD2 4.13Å; A367-F390 HydrophobicContact CB-CE2 4.39Å; A367-F391 HydrophobicContact CB-CE2 4.2Å; A367-F391 HydrophobicContact CB-CZ 3.65Å
368V95.5Very high92.8Very high9 Ų956.2 Ų56.26%0.05530%0.296CS..Hα-helixtrans-61.7-51.1176.8171.40000110.5F364 N365 Y366 S370 K371 V372 F391 V423F364-V368 HydrophobicContact CD1-CG2 4.09Å; F364-V368 HydrophobicContact CE1-CG2 3.55Å; F364-V368 HydrophobicContact CZ-CG2 3.96Å; F364-V368 WeakPolarHBondContact O-CG2 3.4Å; F364-V368 PolarHBondContact O-N 3.36Å; N365-V368 PolarHBondContact O-N 3.06Å; Y366-V368 PolarHBondContact O-N 3.49Å; V368-S370 VanDerWaalsContact C-N 3.3Å; V368-S370 PolarHBondContact O-N 3.4Å; V368-K371 PolarHBondContact O-N 3.13Å; V368-K371 VanDerWaalsContact O-N 3.09Å; V368-V372 HydrophobicContact CG1-CG2 4.4Å; V368-V372 WeakPolarHBondContact O-CG2 3.38Å; V368-V372 PolarHBondContact O-N 2.87Å; V368-F391 HydrophobicContact CG2-CE1 4Å; V368-F391 HydrophobicContact CG2-CZ 4Å; V368-V423 HydrophobicContact CG2-CG2 4.33Å
369E94.6Very high93Very high86 Ų8652.5 Ų52.540%0.40227%0.271SS..Hα-helixtrans-63.4-35.6-179.8-68.9-58.9139.800112.2N365 Y366 K371 V372 A373N365-E369 WeakPolarHBondContact O-CG 3.45Å; N365-E369 PolarHBondContact O-N 2.91Å; Y366-E369 PolarHBondContact O-N 3.3Å; E369-K371 VanDerWaalsContact C-N 3.31Å; E369-K371 PolarHBondContact O-N 3.07Å; E369-V372 PolarHBondContact O-N 3.3Å; E369-A373 WeakPolarHBondContact O-CB 3.34Å; E369-A373 PolarHBondContact O-N 2.85Å
370S94.2Very high93Very high34 Ų3448.6 Ų48.624%0.23825%0.248CC..Hα-helixtrans-59.7-41173.2-179.50000111.8Y366 A367 V368 E374 W386Y366-S370 VanDerWaalsContact O-CB 3.27Å; Y366-S370 WeakPolarHBondContact O-CB 3.27Å; Y366-S370 PolarHBondContact O-N 3.44Å; A367-S370 PolarHBondContact O-N 3.17Å; V368-S370 VanDerWaalsContact C-N 3.3Å; V368-S370 PolarHBondContact O-N 3.4Å; S370-E374 PolarHBondContact O-N 3.39Å; S370-W386 PolarHBondContact OG-NE1 2.98Å
371K94.3Very high92.8Very high2 Ų247.1 Ų47.11%0.00924%0.24CC..Hα-helixtrans-74-36.2177.4-64.6-60.1-64.9177.50112.4A367 V368 E369 A373 E374 Q375 D381 D387 F391 G422A367-K371 WeakPolarHBondContact O-CG 3.26Å; A367-K371 PolarHBondContact O-N 3.3Å; A367-K371 VanDerWaalsContact O-N 3.16Å; V368-K371 PolarHBondContact O-N 3.13Å; V368-K371 VanDerWaalsContact O-N 3.09Å; E369-K371 VanDerWaalsContact C-N 3.31Å; E369-K371 PolarHBondContact O-N 3.07Å; K371-A373 VanDerWaalsContact C-N 3.32Å; K371-E374 WeakPolarHBondContact CE-OE2 3.47Å; K371-E374 IonicContact NZ-OE2 3.1Å; K371-E374 PolarHBondContact NZ-OE2 2.71Å; K371-E374 WeakPolarHBondContact O-CB 3.37Å; K371-E374 PolarHBondContact O-N 3.15Å; K371-Q375 PolarHBondContact O-N 3.44Å; K371-D381 WeakPolarHBondContact CE-O 2.91Å; K371-D381 PolarHBondContact NZ-O 3.47Å; K371-D387 IonicContact NZ-OD1 3.94Å; K371-D387 IonicContact NZ-OD2 2.85Å; K371-D387 PolarHBondContact NZ-OD2 3.4Å; K371-F391 HydrophobicContact CD-CE2 4.3Å; K371-F391 HydrophobicContact CG-CD2 4.09Å; K371-F391 HydrophobicContact CG-CE2 3.47Å; K371-F391 VanDerWaalsContact CG-CE2 3.47Å; K371-F391 HydrophobicContact CG-CZ 4.4Å; K371-G422 VanDerWaalsContact CB-O 3.3Å; K371-G422 WeakPolarHBondContact CB-O 3.27Å; K371-G422 WeakPolarHBondContact CG-O 3.1Å
372V94Very high92.8Very high9 Ų948.1 Ų48.16%0.05525%0.246CC..Hα-helixtrans-61.6-43.7172.8173.50000110.1V368 E369 E374 Q375 E376 R418V368-V372 HydrophobicContact CG1-CG2 4.4Å; V368-V372 WeakPolarHBondContact O-CG2 3.38Å; V368-V372 PolarHBondContact O-N 2.87Å; E369-V372 PolarHBondContact O-N 3.3Å; V372-E374 VanDerWaalsContact C-N 3.27Å; V372-E374 PolarHBondContact O-N 3.4Å; V372-Q375 WeakPolarHBondContact O-CB 3.5Å; V372-Q375 PolarHBondContact O-N 3.32Å; V372-E376 PolarHBondContact O-N 3.44Å; V372-E376 VanDerWaalsContact O-N 3.1Å; V372-R418 HydrophobicContact CG2-CB 4.49Å; V372-R418 WeakPolarHBondContact CG2-O 3.39Å
373A93.2Very high92.7Very high48 Ų4847.3 Ų47.340%0.39724%0.24SC..Hα-helixtrans-65-26.1176.600000114.1E369 K371E369-A373 WeakPolarHBondContact O-CB 3.34Å; E369-A373 PolarHBondContact O-N 2.85Å; K371-A373 VanDerWaalsContact C-N 3.32Å
374E92.9Very high92.4Very high27 Ų2744.4 Ų44.413%0.12623%0.226CC..Hα-helixtrans-66.5-44.3168.9-75.6178.1-179.900110.9R20 S370 K371 V372 E376 K377 I379R20-E374 IonicContact CZ-OE1 3.64Å; R20-E374 VanDerWaalsContact CZ-OE1 3.31Å; R20-E374 IonicContact CZ-OE2 3.75Å; R20-E374 IonicContact NH1-OE1 3.98Å; R20-E374 PolarHBondContact NH1-OE1 3.46Å; R20-E374 IonicContact NH1-OE2 3.75Å; R20-E374 VanDerWaalsContact NH2-CD 3.32Å; R20-E374 IonicContact NH2-OE1 3.49Å; R20-E374 PolarHBondContact NH2-OE1 2.69Å; R20-E374 IonicContact NH2-OE2 3.76Å; R20-E374 PolarHBondContact NH2-OE2 2.89Å; S370-E374 PolarHBondContact O-N 3.39Å; K371-E374 WeakPolarHBondContact CE-OE2 3.47Å; K371-E374 IonicContact NZ-OE2 3.1Å; K371-E374 PolarHBondContact NZ-OE2 2.71Å; K371-E374 WeakPolarHBondContact O-CB 3.37Å; K371-E374 PolarHBondContact O-N 3.15Å; V372-E374 VanDerWaalsContact C-N 3.27Å; V372-E374 PolarHBondContact O-N 3.4Å; E374-E376 VanDerWaalsContact C-N 3.3Å; E374-E376 PolarHBondContact O-N 2.97Å; E374-K377 CarbonylContact O-C 3.54Å; E374-K377 WeakPolarHBondContact O-CA 2.8Å; E374-K377 WeakPolarHBondContact O-CB 3.17Å; E374-K377 PolarHBondContact O-N 3.38Å; E374-I379 CarbonylContact C-O 3.51Å; E374-I379 HydrophobicContact CB-CB 4.02Å; E374-I379 HydrophobicContact CB-CG2 4.1Å; E374-I379 HydrophobicContact CG-CG2 4.45Å; E374-I379 WeakPolarHBondContact O-CB 3.24Å; E374-I379 PolarHBondContact O-N 3.31Å
375Q91.9Very high92.2Very high7 Ų746.1 Ų46.13%0.03324%0.235CC..Hα-helixtrans-65.9-31.8179.3-67.3-176.614.500112.8K371 V372 K377 N378 Y380 R421 K449K371-Q375 PolarHBondContact O-N 3.44Å; V372-Q375 WeakPolarHBondContact O-CB 3.5Å; V372-Q375 PolarHBondContact O-N 3.32Å; Q375-K377 PolarHBondContact O-N 2.82Å; Q375-N378 WeakPolarHBondContact O-CA 3.35Å; Q375-N378 PolarHBondContact O-N 3.33Å; Q375-Y380 HydrophobicContact CB-CE1 4.28Å; Q375-Y380 HydrophobicContact CG-CD1 3.9Å; Q375-Y380 HydrophobicContact CG-CE1 3.75Å; Q375-R421 PolarHBondContact NE2-O 3.43Å; Q375-K449 WeakPolarHBondContact O-CE 3.5Å
376E89.6Confident92.2Very high95 Ų9544.9 Ų44.944%0.44423%0.225SC..Hα-helixtrans-54.1-28.6170.5-65.3-59.1152.200112.3V372 E374 K449V372-E376 PolarHBondContact O-N 3.44Å; V372-E376 VanDerWaalsContact O-N 3.1Å; E374-E376 VanDerWaalsContact C-N 3.3Å; E374-E376 PolarHBondContact O-N 2.97Å; E376-K449 PolarHBondContact O-NZ 2.65Å; E376-K449 WeakPolarHBondContact OE1-CB 3.39Å; E376-K449 WeakPolarHBondContact OE2-CD 3.31Å
377K90.3Very high92Very high135 Ų13537.9 Ų37.959%0.58720%0.197SC*.THydrogen-bonded Turntrans-97.314.3177.5-57.6172.6-174.2171.80113.3E374 Q375 I379E374-K377 CarbonylContact O-C 3.54Å; E374-K377 WeakPolarHBondContact O-CA 2.8Å; E374-K377 WeakPolarHBondContact O-CB 3.17Å; E374-K377 PolarHBondContact O-N 3.38Å; Q375-K377 PolarHBondContact O-N 2.82Å; K377-I379 VanDerWaalsContact C-N 3.28Å; K377-I379 HydrophobicContact CB-CD1 4.13Å; K377-I379 HydrophobicContact CB-CG1 4.36Å; K377-I379 PolarHBondContact O-N 3.37Å
378N90.8Very high91.8Very high25 Ų2546.4 Ų46.413%0.13424%0.235CC..THydrogen-bonded Turntrans56.835.1-172.1-63.1-7.4000113.7V25 D30 Q375 Y380 K449V25-N378 PolarHBondContact N-O 3.34Å; V25-N378 WeakPolarHBondContact O-CB 3.28Å; V25-N378 PolarHBondContact O-ND2 2.88Å; D30-N378 PolarHBondContact OD2-ND2 3.06Å; Q375-N378 WeakPolarHBondContact O-CA 3.35Å; Q375-N378 PolarHBondContact O-N 3.33Å; N378-Y380 HydrophobicContact CB-CE2 4.48Å; N378-K449 WeakPolarHBondContact OD1-CE 3.33Å; N378-K449 PolarHBondContact OD1-NZ 2.94Å
379I91.8Very high91.5Very high24 Ų2450.1 Ų50.112%0.12325%0.253CS..  trans-100.3110.4175.1-64.2167.7000108.6P22 K24 E374 K377 D381P22-I379 HydrophobicContact CB-CG2 3.73Å; P22-I379 HydrophobicContact CG-CD1 4.28Å; P22-I379 HydrophobicContact CG-CG2 3.4Å; P22-I379 VanDerWaalsContact CG-CG2 3.4Å; K24-I379 HydrophobicContact CG-CG1 4.03Å; E374-I379 CarbonylContact C-O 3.51Å; E374-I379 HydrophobicContact CB-CB 4.02Å; E374-I379 HydrophobicContact CB-CG2 4.1Å; E374-I379 HydrophobicContact CG-CG2 4.45Å; E374-I379 WeakPolarHBondContact O-CB 3.24Å; E374-I379 PolarHBondContact O-N 3.31Å; K377-I379 VanDerWaalsContact C-N 3.28Å; K377-I379 HydrophobicContact CB-CD1 4.13Å; K377-I379 HydrophobicContact CB-CG1 4.36Å; K377-I379 PolarHBondContact O-N 3.37Å; I379-D381 HydrophobicContact CG2-CB 4.05Å
380Y91Very high91.5Very high40 Ų4047.4 Ų47.416%0.15724%0.24CC..  trans-113.173.6176.6-63.9-90.3000108.8V25 F27 Q375 N378 G425 P427 F446V25-Y380 HydrophobicContact CB-CD2 4.06Å; V25-Y380 HydrophobicContact CG2-CD2 3.9Å; F27-Y380 HydrophobicContact CE2-CD2 4.26Å; F27-Y380 AromaticContact CE2-CE2 3.42Å; F27-Y380 HydrophobicContact CE2-CE2 3.42Å; F27-Y380 VanDerWaalsContact CE2-CE2 3.42Å; F27-Y380 AromaticContact CE2-CZ 3.77Å; F27-Y380 HydrophobicContact CZ-CD2 4.2Å; F27-Y380 AromaticContact CZ-CE2 3.74Å; F27-Y380 HydrophobicContact CZ-CE2 3.74Å; Q375-Y380 HydrophobicContact CB-CE1 4.28Å; Q375-Y380 HydrophobicContact CG-CD1 3.9Å; Q375-Y380 HydrophobicContact CG-CE1 3.75Å; N378-Y380 HydrophobicContact CB-CE2 4.48Å; Y380-G425 WeakPolarHBondContact CB-O 3.14Å; Y380-P427 HydrophobicContact CD1-CG 4.27Å; Y380-P427 HydrophobicContact CE1-CG 3.87Å; Y380-F446 PolarHBondContact OH-O 2.92Å
381D89Confident91.5Very high29 Ų2945.8 Ų45.816%0.15523%0.229CC..  trans-115.2148.5-177.5170.850000110.4R20 P22 K371 I379 S383R20-D381 IonicContact CZ-OD2 3.96Å; R20-D381 IonicContact NE-OD2 3.42Å; R20-D381 PolarHBondContact NE-OD2 2.94Å; R20-D381 IonicContact NH2-OD2 2.84Å; R20-D381 PolarHBondContact NH2-OD2 2.81Å; P22-D381 HydrophobicContact CB-CB 3.55Å; P22-D381 HydrophobicContact CG-CB 4.36Å; K371-D381 WeakPolarHBondContact CE-O 2.91Å; K371-D381 PolarHBondContact NZ-O 3.47Å; I379-D381 HydrophobicContact CG2-CB 4.05Å; D381-S383 WeakPolarHBondContact OD1-CB 2.94Å; D381-S383 PolarHBondContact OD1-N 3.34Å; D381-S383 VanDerWaalsContact OD1-N 3.17Å; D381-S383 PolarHBondContact OD1-OG 3.46Å; D381-S383 PolarHBondContact OD2-N 2.91Å; D381-S383 PolarHBondContact OD2-OG 3Å
382N91.6Very high91.5Very high68 Ų6849.5 Ų49.536%0.36425%0.249SC..  trans-121.518.1-177.2-78.7-14.7000112.2D387 R395 F424 G425N382-D387 WeakPolarHBondContact O-CB 3.47Å; N382-D387 VanDerWaalsContact O-CG 3.25Å; N382-R395 VanDerWaalsContact CB-NH1 3.26Å; N382-R395 PolarHBondContact OD1-NH1 3.21Å; N382-R395 PolarHBondContact OD1-NH2 3.15Å; N382-F424 PolarHBondContact ND2-O 3.39Å; N382-F424 PolarHBondContact OD1-O 2.92Å; N382-G425 WeakPolarHBondContact OD1-CA 3.46Å
383S88.4Confident91.5Very high63 Ų6356.7 Ų56.744%0.44128%0.28SS..  trans-101.2-4.9-175.969.60000115.3Y16 D381 D387Y16-S383 PolarHBondContact OH-O 3.03Å; D381-S383 WeakPolarHBondContact OD1-CB 2.94Å; D381-S383 PolarHBondContact OD1-N 3.34Å; D381-S383 VanDerWaalsContact OD1-N 3.17Å; D381-S383 PolarHBondContact OD1-OG 3.46Å; D381-S383 PolarHBondContact OD2-N 2.91Å; D381-S383 PolarHBondContact OD2-OG 3Å; S383-D387 PolarHBondContact N-OD2 2.85Å
384S89.2Confident91.5Very high4 Ų455.6 Ų55.63%0.02827%0.267CS..SBendtrans-60.5165.2-177.4810000113.8W386 D387 F388S384-W386 PolarHBondContact O-N 3.3Å; S384-W386 PolarHBondContact OG-N 3.48Å; S384-D387 VanDerWaalsContact CA-OD2 3.29Å; S384-D387 WeakPolarHBondContact CA-OD2 3.41Å; S384-D387 WeakPolarHBondContact CB-OD2 3.22Å; S384-D387 PolarHBondContact N-OD2 3.48Å; S384-D387 VanDerWaalsContact O-CB 3.23Å; S384-D387 WeakPolarHBondContact O-CB 3.4Å; S384-D387 PolarHBondContact O-N 3.11Å; S384-D387 VanDerWaalsContact OG-CG 3.27Å; S384-D387 PolarHBondContact OG-N 3.3Å; S384-D387 PolarHBondContact OG-OD2 3.3Å; S384-F388 PolarHBondContact O-N 2.84Å
385I89.9Confident91.6Very high40 Ų4055 Ų5521%0.20526%0.263CS..Hα-helixtrans-58.6-33.4174.1-165.6166.7000112.8I13 D387 F388 I389I13-I385 HydrophobicContact CB-CD1 4.4Å; I13-I385 HydrophobicContact CD1-CD1 3.66Å; I13-I385 HydrophobicContact CG1-CD1 3.67Å; I13-I385 HydrophobicContact CG2-CD1 3.89Å; I385-D387 VanDerWaalsContact C-N 3.26Å; I385-D387 PolarHBondContact O-N 3.44Å; I385-F388 PolarHBondContact O-N 2.7Å; I385-I389 HydrophobicContact CD1-CD1 4.36Å; I385-I389 HydrophobicContact CG1-CD1 3.81Å; I385-I389 HydrophobicContact CG1-CG1 4.35Å; I385-I389 WeakPolarHBondContact O-CG1 3.14Å; I385-I389 PolarHBondContact O-N 3.11Å
386W92.6Very high91.8Very high46 Ų4658.4 Ų58.417%0.17428%0.279CS..Hα-helixtrans-66.7-31.6176.5-53.3131.4000112.6I363 Y366 A367 S370 S384 F388 I389 F390 F391I363-W386 HydrophobicContact CG2-CH2 4.42Å; I363-W386 HydrophobicContact CG2-CZ3 3.95Å; Y366-W386 HydrophobicContact CD1-CH2 4.19Å; Y366-W386 AromaticContact CD1-CZ2 3.71Å; Y366-W386 HydrophobicContact CD1-CZ2 3.71Å; Y366-W386 HydrophobicContact CE1-CH2 4.47Å; Y366-W386 AromaticContact CE1-CZ2 3.71Å; Y366-W386 HydrophobicContact CE1-CZ2 3.71Å; A367-W386 HydrophobicContact CB-CB 3.95Å; A367-W386 HydrophobicContact CB-CD2 3.47Å; A367-W386 VanDerWaalsContact CB-CD2 3.47Å; A367-W386 HydrophobicContact CB-CE3 3.62Å; A367-W386 HydrophobicContact CB-CG 3.61Å; A367-W386 HydrophobicContact CB-CZ3 4.35Å; S370-W386 PolarHBondContact OG-NE1 2.98Å; S384-W386 PolarHBondContact O-N 3.3Å; S384-W386 PolarHBondContact OG-N 3.48Å; W386-F388 VanDerWaalsContact C-N 3.33Å; W386-I389 HydrophobicContact CE3-CD1 4.39Å; W386-I389 HydrophobicContact CZ3-CD1 4.4Å; W386-I389 PolarHBondContact O-N 3.34Å; W386-F390 HydrophobicContact CE3-CD2 4.37Å; W386-F390 HydrophobicContact CE3-CE2 4.27Å; W386-F390 PolarHBondContact O-N 2.9Å; W386-F391 HydrophobicContact CB-CD2 3.87Å; W386-F391 HydrophobicContact CB-CE2 3.42Å; W386-F391 VanDerWaalsContact CB-CE2 3.42Å; W386-F391 HydrophobicContact CB-CZ 4.21Å; W386-F391 HydrophobicContact CG-CE2 4.38Å; W386-F391 PolarHBondContact O-N 3.27Å; W386-F391 VanDerWaalsContact O-N 3.12Å
387D92.4Very high91.9Very high4 Ų455.3 Ų55.32%0.02127%0.267CS..Iπ-helixtrans-64.8-42.1176.5-58.9-59.9000110.6K371 N382 S383 S384 I385 F391 N392 R395K371-D387 IonicContact NZ-OD1 3.94Å; K371-D387 IonicContact NZ-OD2 2.85Å; K371-D387 PolarHBondContact NZ-OD2 3.4Å; N382-D387 WeakPolarHBondContact O-CB 3.47Å; N382-D387 VanDerWaalsContact O-CG 3.25Å; S383-D387 PolarHBondContact N-OD2 2.85Å; S384-D387 VanDerWaalsContact CA-OD2 3.29Å; S384-D387 WeakPolarHBondContact CA-OD2 3.41Å; S384-D387 WeakPolarHBondContact CB-OD2 3.22Å; S384-D387 PolarHBondContact N-OD2 3.48Å; S384-D387 VanDerWaalsContact O-CB 3.23Å; S384-D387 WeakPolarHBondContact O-CB 3.4Å; S384-D387 PolarHBondContact O-N 3.11Å; S384-D387 VanDerWaalsContact OG-CG 3.27Å; S384-D387 PolarHBondContact OG-N 3.3Å; S384-D387 PolarHBondContact OG-OD2 3.3Å; I385-D387 VanDerWaalsContact C-N 3.26Å; I385-D387 PolarHBondContact O-N 3.44Å; D387-F391 PolarHBondContact O-N 2.86Å; D387-N392 WeakPolarHBondContact O-CB 3.4Å; D387-N392 PolarHBondContact O-N 2.65Å; D387-R395 IonicContact OD1-CZ 3.98Å; D387-R395 IonicContact OD1-NH1 2.65Å; D387-R395 PolarHBondContact OD1-NH1 3Å; D387-R395 IonicContact OD1-NH2 3.12Å; D387-R395 PolarHBondContact OD1-NH2 2.8Å
388F90.5Very high92.1Very high179 Ų17948.9 Ų48.979%0.78524%0.239SC*.Iπ-helixtrans-68.1-46175.5-179-101.9000112.8S384 I385 W386S384-F388 PolarHBondContact O-N 2.84Å; I385-F388 PolarHBondContact O-N 2.7Å; W386-F388 VanDerWaalsContact C-N 3.33Å
389I90.5Very high92.3Very high87 Ų8747.9 Ų47.945%0.44623%0.234SC..Iπ-helixtrans-72.7-46.5-174.4-64170.9000111.8I385 W386I385-I389 HydrophobicContact CD1-CD1 4.36Å; I385-I389 HydrophobicContact CG1-CD1 3.81Å; I385-I389 HydrophobicContact CG1-CG1 4.35Å; I385-I389 WeakPolarHBondContact O-CG1 3.14Å; I385-I389 PolarHBondContact O-N 3.11Å; W386-I389 HydrophobicContact CE3-CD1 4.39Å; W386-I389 HydrophobicContact CZ3-CD1 4.4Å; W386-I389 PolarHBondContact O-N 3.34Å
390F92.7Very high92.5Very high29 Ų2948.5 Ų48.513%0.12725%0.247CC..Iπ-helixtrans-119.9-55.1-169.8-63.3-63.4000113.1L360 I363 F364 A367 W386L360-F390 HydrophobicContact CD1-CE1 3.8Å; L360-F390 HydrophobicContact CD1-CZ 3.81Å; I363-F390 HydrophobicContact CG2-CE2 3.96Å; I363-F390 HydrophobicContact CG2-CZ 4.14Å; F364-F390 HydrophobicContact CD2-CB 4.14Å; F364-F390 AromaticContact CD2-CD1 3.77Å; F364-F390 HydrophobicContact CD2-CD1 3.77Å; F364-F390 HydrophobicContact CD2-CD2 4.18Å; F364-F390 HydrophobicContact CD2-CE1 4.18Å; F364-F390 AromaticContact CD2-CG 3.77Å; F364-F390 HydrophobicContact CD2-CG 3.77Å; F364-F390 HydrophobicContact CE2-CB 4.03Å; F364-F390 HydrophobicContact CE2-CD1 4.34Å; F364-F390 HydrophobicContact CE2-CG 4.18Å; A367-F390 HydrophobicContact CB-CD2 4.13Å; A367-F390 HydrophobicContact CB-CE2 4.39Å; W386-F390 HydrophobicContact CE3-CD2 4.37Å; W386-F390 HydrophobicContact CE3-CE2 4.27Å; W386-F390 PolarHBondContact O-N 2.9Å
391F95.1Very high92.7Very high0 Ų050.8 Ų50.80%026%0.255CS..Iπ-helixtrans-80.9-30.2-155.9-51.9-40.2000114.3F364 A367 V368 K371 W386 D387 K393 I394 R395 V423F364-F391 HydrophobicContact CD2-CE1 4.44Å; F364-F391 HydrophobicContact CE2-CD1 4.31Å; F364-F391 AromaticContact CE2-CE1 3.78Å; F364-F391 HydrophobicContact CE2-CE1 3.78Å; F364-F391 HydrophobicContact CZ-CE1 4.01Å; A367-F391 HydrophobicContact CB-CE2 4.2Å; A367-F391 HydrophobicContact CB-CZ 3.65Å; V368-F391 HydrophobicContact CG2-CE1 4Å; V368-F391 HydrophobicContact CG2-CZ 4Å; K371-F391 HydrophobicContact CD-CE2 4.3Å; K371-F391 HydrophobicContact CG-CD2 4.09Å; K371-F391 HydrophobicContact CG-CE2 3.47Å; K371-F391 VanDerWaalsContact CG-CE2 3.47Å; K371-F391 HydrophobicContact CG-CZ 4.4Å; W386-F391 HydrophobicContact CB-CD2 3.87Å; W386-F391 HydrophobicContact CB-CE2 3.42Å; W386-F391 VanDerWaalsContact CB-CE2 3.42Å; W386-F391 HydrophobicContact CB-CZ 4.21Å; W386-F391 HydrophobicContact CG-CE2 4.38Å; W386-F391 PolarHBondContact O-N 3.27Å; W386-F391 VanDerWaalsContact O-N 3.12Å; D387-F391 PolarHBondContact O-N 2.86Å; F391-K393 VanDerWaalsContact C-N 3.29Å; F391-K393 PolarHBondContact O-N 3.25Å; F391-I394 CarbonylContact O-C 3.59Å; F391-I394 PolarHBondContact O-N 3.22Å; F391-R395 WeakPolarHBondContact O-CG 3.39Å; F391-R395 PolarHBondContact O-N 3.15Å; F391-V423 HydrophobicContact CB-CG1 4.34Å; F391-V423 HydrophobicContact CD1-CB 4.24Å; F391-V423 HydrophobicContact CD1-CG1 4.2Å; F391-V423 HydrophobicContact CD1-CG2 3.75Å; F391-V423 HydrophobicContact CE1-CG2 3.83Å
392N94.6Very high93.1Very high80 Ų8050.1 Ų50.143%0.42825%0.252SS..Hα-helixtrans-57.2-45179.4-173.631000110.8D387 I394 R395 Q396D387-N392 WeakPolarHBondContact O-CB 3.4Å; D387-N392 PolarHBondContact O-N 2.65Å; N392-I394 VanDerWaalsContact C-N 3.26Å; N392-I394 PolarHBondContact O-N 2.62Å; N392-R395 PolarHBondContact O-N 2.79Å; N392-Q396 VanDerWaalsContact O-CG 3.27Å; N392-Q396 WeakPolarHBondContact O-CG 3.33Å; N392-Q396 PolarHBondContact O-N 2.88Å; N392-Q396 PolarHBondContact OD1-NE2 3.11Å; N392-Q396 VanDerWaalsContact OD1-NE2 3.1Å
393K92.8Very high93.2Very high161 Ų16151.3 Ų51.370%0.725%0.254SS*.Hα-helixtrans-60.5-35.4177.9-170.4171.7-175173.10112.7F391F391-K393 VanDerWaalsContact C-N 3.29Å; F391-K393 PolarHBondContact O-N 3.25Å
394I93.8Very high93.5Very high25 Ų2548.4 Ų48.413%0.12823%0.234CC..Hα-helixtrans-74.4-44.3176.3-53.8172.5000110.2A350 F364 F391 N392 Q396 T397 V423 F424A350-I394 HydrophobicContact CB-CD1 3.98Å; F364-I394 HydrophobicContact CE2-CD1 4.23Å; F364-I394 HydrophobicContact CZ-CD1 4.32Å; F391-I394 CarbonylContact O-C 3.59Å; F391-I394 PolarHBondContact O-N 3.22Å; N392-I394 VanDerWaalsContact C-N 3.26Å; N392-I394 PolarHBondContact O-N 2.62Å; I394-Q396 VanDerWaalsContact C-N 3.25Å; I394-Q396 PolarHBondContact O-N 3.15Å; I394-T397 WeakPolarHBondContact O-CB 3.47Å; I394-T397 PolarHBondContact O-N 3.49Å; I394-T397 PolarHBondContact O-OG1 3.07Å; I394-V423 HydrophobicContact CB-CG1 3.81Å; I394-V423 HydrophobicContact CD1-CG1 4.1Å; I394-V423 HydrophobicContact CG2-CG1 3.64Å; I394-F424 HydrophobicContact CG2-CZ 4.47Å
395R95.6Very high93.9Very high14 Ų1448.2 Ų48.25%0.05323%0.232CC..Hα-helixtrans-60.3-36176.5-69.7-179.1-169134.19.4112.9N382 D387 F391 N392 T397 L398 G399 G400 V423 F424N382-R395 VanDerWaalsContact CB-NH1 3.26Å; N382-R395 PolarHBondContact OD1-NH1 3.21Å; N382-R395 PolarHBondContact OD1-NH2 3.15Å; D387-R395 IonicContact OD1-CZ 3.98Å; D387-R395 IonicContact OD1-NH1 2.65Å; D387-R395 PolarHBondContact OD1-NH1 3Å; D387-R395 IonicContact OD1-NH2 3.12Å; D387-R395 PolarHBondContact OD1-NH2 2.8Å; F391-R395 WeakPolarHBondContact O-CG 3.39Å; F391-R395 PolarHBondContact O-N 3.15Å; N392-R395 PolarHBondContact O-N 2.79Å; R395-T397 PolarHBondContact O-N 3.29Å; R395-L398 CarbonylContact O-C 3.56Å; R395-L398 PolarHBondContact O-N 2.83Å; R395-G399 PolarHBondContact O-N 3.17Å; R395-G400 PolarHBondContact O-N 2.89Å; R395-V423 PolarHBondContact NE-O 3.42Å; R395-V423 PolarHBondContact NH2-O 2.77Å; R395-F424 HydrophobicContact CB-CE1 4.45Å; R395-F424 HydrophobicContact CG-CD1 3.92Å; R395-F424 HydrophobicContact CG-CE1 4.19Å; R395-F424 PolarHBondContact NE-O 3.34Å
396Q94.8Very high94.1Very high78 Ų7847.2 Ų47.236%0.36423%0.228SC..G310 helixtrans-63.6-18.5175.1-68.2-48.5-38.600112.4Q329 N392 I394 L398 G399Q329-Q396 WeakPolarHBondContact CG-O 3.08Å; Q329-Q396 PolarHBondContact NE2-O 3.5Å; N392-Q396 VanDerWaalsContact O-CG 3.27Å; N392-Q396 WeakPolarHBondContact O-CG 3.33Å; N392-Q396 PolarHBondContact O-N 2.88Å; N392-Q396 PolarHBondContact OD1-NE2 3.11Å; N392-Q396 VanDerWaalsContact OD1-NE2 3.1Å; I394-Q396 VanDerWaalsContact C-N 3.25Å; I394-Q396 PolarHBondContact O-N 3.15Å; Q396-L398 PolarHBondContact O-N 3.07Å; Q396-G399 PolarHBondContact O-N 3.14Å; Q396-G399 VanDerWaalsContact O-N 3.11Å
397T92.5Very high94.2Very high30 Ų3045 Ų4518%0.18422%0.22CC..G310 helixtrans-70.2-20.7172.272.70000112.7I394 R395I394-T397 WeakPolarHBondContact O-CB 3.47Å; I394-T397 PolarHBondContact O-N 3.49Å; I394-T397 PolarHBondContact O-OG1 3.07Å; R395-T397 PolarHBondContact O-N 3.29Å
398L95.1Very high94Very high1 Ų145.2 Ų45.21%0.00522%0.223CC..G310 helixtrans-102.717170.1-51.7-169000112.2L328 F336 L346 R395 Q396 G400 V402 F424L328-L398 HydrophobicContact CD1-CD2 3.66Å; F336-L398 HydrophobicContact CD1-CD1 3.64Å; F336-L398 HydrophobicContact CE1-CD1 3.9Å; F336-L398 HydrophobicContact CE1-CD2 4.22Å; F336-L398 HydrophobicContact CG-CD1 4.18Å; F336-L398 HydrophobicContact CZ-CD2 4.28Å; L346-L398 HydrophobicContact CD1-CD1 4.5Å; L346-L398 HydrophobicContact CD1-CD2 4.12Å; R395-L398 CarbonylContact O-C 3.56Å; R395-L398 PolarHBondContact O-N 2.83Å; Q396-L398 PolarHBondContact O-N 3.07Å; L398-G400 VanDerWaalsContact C-N 3.31Å; L398-G400 PolarHBondContact O-N 2.9Å; L398-V402 HydrophobicContact CB-CG2 3.89Å; L398-V402 HydrophobicContact CD1-CG2 4.32Å; L398-F424 HydrophobicContact CB-CE1 4.11Å; L398-F424 HydrophobicContact CD1-CD1 4.12Å; L398-F424 HydrophobicContact CD1-CE1 3.25Å; L398-F424 HydrophobicContact CD1-CE2 4.25Å; L398-F424 HydrophobicContact CD1-CZ 3.33Å; L398-F424 HydrophobicContact CG-CE1 3.61Å; L398-F424 HydrophobicContact CG-CZ 3.72Å
399G95.5Very high93.4Very high3 Ų338 Ų383%0.03120%0.195CC..THydrogen-bonded Turntrans77.16.2178.900000116.1K332 R395 Q396 R401K332-G399 WeakPolarHBondContact CB-O 3.45Å; K332-G399 WeakPolarHBondContact CG-O 3.34Å; R395-G399 PolarHBondContact O-N 3.17Å; Q396-G399 PolarHBondContact O-N 3.14Å; Q396-G399 VanDerWaalsContact O-N 3.11Å; G399-R401 VanDerWaalsContact C-N 3.27Å; G399-R401 PolarHBondContact O-N 3Å; G399-R401 VanDerWaalsContact O-N 3.14Å
400G95Very high92.8Very high38 Ų3835.5 Ų35.539%0.39219%0.187SC..THydrogen-bonded Turntrans73.12.8165.700000117.2R395 L398R395-G400 PolarHBondContact O-N 2.89Å; L398-G400 VanDerWaalsContact C-N 3.31Å; L398-G400 PolarHBondContact O-N 2.9Å
401R95.8Very high92Very high88 Ų8836.7 Ų36.733%0.33220%0.198SC..  trans-1102.1-179.9-66.7-161.8-63.9-175.9-3.1115R313 V331 K332 P333 G399 K403R313-R401 VanDerWaalsContact NH2-NH2 3.16Å; V331-R401 PolarHBondContact O-NH2 3.37Å; K332-R401 HydrophobicContact CB-CB 4.44Å; K332-R401 HydrophobicContact CB-CG 4.17Å; K332-R401 VanDerWaalsContact O-CZ 3.29Å; K332-R401 PolarHBondContact O-NE 2.94Å; K332-R401 PolarHBondContact O-NH2 2.84Å; P333-R401 CarbonylContact O-C 3.41Å; P333-R401 VanDerWaalsContact O-C 3.25Å; G399-R401 VanDerWaalsContact C-N 3.27Å; G399-R401 PolarHBondContact O-N 3Å; G399-R401 VanDerWaalsContact O-N 3.14Å; R401-K403 PolarHBondContact O-N 3.16Å
402V96.2Very high91.4Very high15 Ų1537.5 Ų37.59%0.09120%0.202CC..  trans-62.3123.5-178.3178.50000110.4P333 F336 L398 V404 I405P333-V402 HydrophobicContact CG-CG2 4.41Å; P333-V402 PolarHBondContact O-N 3.24Å; F336-V402 HydrophobicContact CB-CG1 4.07Å; F336-V402 HydrophobicContact CB-CG2 4.14Å; L398-V402 HydrophobicContact CB-CG2 3.89Å; L398-V402 HydrophobicContact CD1-CG2 4.32Å; V402-V404 WeakPolarHBondContact CG1-O 3.5Å; V402-I405 HydrophobicContact CG1-CD1 4.27Å; V402-I405 HydrophobicContact CG1-CG1 3.61Å
403K94.4Very high90.8Very high93 Ų9334.4 Ų34.440%0.40419%0.188SC..  trans-107.3-17.6176.9-64.5-176.8177.7177.70113I282 H334 R401 C426 P427I282-K403 HydrophobicContact CD1-CB 4.15Å; I282-K403 HydrophobicContact CG1-CB 4.26Å; I282-K403 HydrophobicContact CG1-CD 4.33Å; I282-K403 HydrophobicContact CG2-CB 4.02Å; I282-K403 HydrophobicContact CG2-CD 4.38Å; H334-K403 PolarHBondContact O-N 3.24Å; R401-K403 PolarHBondContact O-N 3.16Å; K403-C426 WeakPolarHBondContact O-CB 3.42Å; K403-P427 WeakPolarHBondContact O-CD 3.47Å
404V95.3Very high90.5Very high1 Ų130.3 Ų30.31%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-152.3141.2174.5640000109.5I282 F283 F335 F336 V402 V406 P427 I429 F446I282-V404 HydrophobicContact CD1-CB 4.11Å; I282-V404 HydrophobicContact CD1-CG1 4.31Å; I282-V404 HydrophobicContact CG2-CG1 3.9Å; F283-V404 HydrophobicContact CE2-CG1 4.22Å; F335-V404 WeakPolarHBondContact CA-O 3.38Å; F335-V404 HydrophobicContact CB-CG1 3.52Å; F336-V404 PolarHBondContact N-O 2.86Å; V402-V404 WeakPolarHBondContact CG1-O 3.5Å; V404-V406 HydrophobicContact CG2-CG2 4.2Å; V404-P427 HydrophobicContact CG2-CB 4.36Å; V404-I429 HydrophobicContact CG2-CG1 3.9Å; V404-F446 HydrophobicContact CG2-CE1 4.25Å; V404-F446 HydrophobicContact CG2-CZ 4.09Å
405I96.4Very high90.2Very high0 Ų031.5 Ų31.50%018%0.179CC..EExtended strand (participates in β ladder)trans-114.3130.9170.9-64.4173.4000107.5F336 T338 L343 V402 T420 F424 P427 V428 I429F336-I405 HydrophobicContact CB-CG1 4.32Å; F336-I405 HydrophobicContact CD1-CG1 4.4Å; F336-I405 HydrophobicContact CD1-CG2 4.31Å; F336-I405 WeakPolarHBondContact O-CA 3.42Å; T338-I405 HydrophobicContact CG2-CG2 3.92Å; L343-I405 HydrophobicContact CD2-CG2 4.32Å; V402-I405 HydrophobicContact CG1-CD1 4.27Å; V402-I405 HydrophobicContact CG1-CG1 3.61Å; I405-T420 HydrophobicContact CD1-CG2 3.54Å; I405-T420 HydrophobicContact CG2-CG2 4.32Å; I405-F424 HydrophobicContact CD1-CB 3.85Å; I405-F424 HydrophobicContact CD1-CD1 4.02Å; I405-F424 HydrophobicContact CD1-CD2 3.61Å; I405-F424 HydrophobicContact CD1-CE2 4.18Å; I405-F424 HydrophobicContact CD1-CG 3.52Å; I405-P427 PolarHBondContact N-O 3.48Å; I405-V428 HydrophobicContact CB-CG1 4.45Å; I405-V428 HydrophobicContact CB-CG2 4.35Å; I405-V428 HydrophobicContact CG2-CG1 4.35Å; I405-V428 CarbonylContact O-C 3.25Å; I405-V428 WeakPolarHBondContact O-CA 3.42Å; I405-I429 PolarHBondContact O-N 3.3Å
406V95.5Very high90Very high19 Ų1930.9 Ų30.912%0.11518%0.176CC..EExtended strand (participates in β ladder)trans-119.1119.8175.8-173.50000108F336 F337 T338 V404 I429 L443F336-V406 PolarHBondContact O-N 3.26Å; F337-V406 CarbonylContact C-O 3.53Å; F337-V406 WeakPolarHBondContact CA-O 3.37Å; F337-V406 HydrophobicContact CD1-CB 3.54Å; F337-V406 HydrophobicContact CD1-CG1 3.84Å; F337-V406 HydrophobicContact CD1-CG2 4.04Å; F337-V406 HydrophobicContact CE1-CB 3.69Å; F337-V406 HydrophobicContact CE1-CG1 3.82Å; F337-V406 HydrophobicContact CE1-CG2 3.72Å; F337-V406 HydrophobicContact CG-CB 4.24Å; F337-V406 HydrophobicContact CZ-CB 4.48Å; F337-V406 HydrophobicContact CZ-CG2 4.08Å; T338-V406 PolarHBondContact N-O 3.33Å; V404-V406 HydrophobicContact CG2-CG2 4.2Å; V406-I429 CarbonylContact C-O 3.52Å; V406-I429 WeakPolarHBondContact CA-O 3.28Å; V406-I429 HydrophobicContact CB-CB 4.49Å; V406-I429 HydrophobicContact CG1-CB 4.29Å; V406-I429 HydrophobicContact CG1-CG2 4.39Å; V406-I429 HydrophobicContact CG2-CB 4.16Å; V406-I429 HydrophobicContact CG2-CG1 4.44Å; V406-L443 HydrophobicContact CG1-CD2 4.36Å
407S92.9Very high89.9Confident0 Ų027.5 Ų27.50%016%0.161CC..EExtended strand (participates in β ladder)trans-109.7130.9176.3-170.80000110.3T338 V412 I429 V430 G431T338-S407 WeakPolarHBondContact O-CA 3.42Å; S407-V412 WeakPolarHBondContact OG-CG2 3.38Å; S407-I429 PolarHBondContact N-O 3.04Å; S407-V430 WeakPolarHBondContact O-CA 3.45Å; S407-G431 PolarHBondContact O-N 3.34Å
408G89Confident89.9Confident8 Ų831.3 Ų31.38%0.08217%0.172CC..  trans-149-159.3177.900000112.2T338 P340 A410 G431T338-G408 PolarHBondContact O-N 2.89Å; P340-G408 WeakPolarHBondContact CD-O 3.11Å; G408-A410 PolarHBondContact O-N 3.43Å; G408-G431 WeakPolarHBondContact CA-O 3.23Å
409S78.8Confident89.9Confident29 Ų2931.5 Ų31.520%0.20317%0.172CC..SBendtrans67.3-50.8-174.3-59.10000114.3M299 K676M299-S409 WeakPolarHBondContact CE-OG 3.41Å; S409-K676 WeakPolarHBondContact O-CE 3.47Å; S409-K676 PolarHBondContact O-NZ 2.97Å
410A76.2Confident89.9Confident33 Ų3331.4 Ų31.427%0.27317%0.171SC..SBendtrans-132.3162.8-179.100000111.6P340 G408 K676P340-A410 HydrophobicContact CG-CB 3.83Å; P340-A410 WeakPolarHBondContact CG-O 3.44Å; G408-A410 PolarHBondContact O-N 3.43Å; A410-K676 HydrophobicContact CB-CG 4.31Å
411P76.8Confident89.9Confident55 Ų5530.3 Ų30.336%0.35716%0.155SC..  trans-63.8146.5177.8-1729.7000111.8P340 E546 N550P340-P411 WeakPolarHBondContact CB-O 3.5Å; P340-P411 WeakPolarHBondContact CG-O 3.34Å; P411-E546 VanDerWaalsContact CD-OE2 3.27Å; P411-E546 WeakPolarHBondContact CD-OE2 3.1Å; P411-E546 WeakPolarHBondContact CG-OE2 3.4Å; P411-N550 PolarHBondContact O-OD1 3.43Å
412V83Confident89.8Confident17 Ų1726.1 Ų26.110%0.10314%0.139CC..  trans-113.5135.3177.8-169.70000109.2P340 S407 I416 L417P340-V412 HydrophobicContact CB-CB 4.43Å; P340-V412 HydrophobicContact CB-CG2 3.92Å; P340-V412 HydrophobicContact CG-CG2 3.64Å; S407-V412 WeakPolarHBondContact OG-CG2 3.38Å; V412-I416 HydrophobicContact CG1-CB 4.02Å; V412-I416 HydrophobicContact CG1-CG2 3.99Å; V412-L417 HydrophobicContact CB-CD1 4.42Å; V412-L417 HydrophobicContact CB-CD2 4.01Å; V412-L417 HydrophobicContact CB-CG 4.1Å; V412-L417 HydrophobicContact CG1-CD2 3.7Å; V412-L417 HydrophobicContact CG1-CG 3.76Å; V412-L417 HydrophobicContact CG2-CD2 4.4Å
413A81.7Confident89.8Confident14 Ų1425.4 Ų25.412%0.11614%0.135CC..  trans-66.3139.6173.600000112E415 I416 L417 N550 L554A413-E415 PolarHBondContact O-N 2.9Å; A413-I416 HydrophobicContact CB-CG1 4.05Å; A413-I416 WeakPolarHBondContact O-CB 3.37Å; A413-I416 PolarHBondContact O-N 3.27Å; A413-L417 PolarHBondContact O-N 3Å; A413-L417 VanDerWaalsContact O-N 3.1Å; A413-N550 HydrophobicContact CB-CB 4.36Å; A413-L554 HydrophobicContact CB-CD1 4.47Å; A413-L554 HydrophobicContact CB-CD2 4.43Å
414N86.9Confident89.8Confident76 Ų7621.1 Ų21.141%0.40612%0.117SC..Hα-helixtrans-56.1-35.8-178.7-73.2-6000113.7L417 R418 L451 G452N414-L417 PolarHBondContact O-N 2.98Å; N414-R418 PolarHBondContact O-N 3.38Å; N414-L451 HydrophobicContact CB-CB 4.44Å; N414-L451 HydrophobicContact CB-CD1 4.1Å; N414-G452 PolarHBondContact OD1-N 2.54Å
415E87.6Confident89.7Confident50 Ų5021.3 Ų21.323%0.23412%0.119CC..Hα-helixtrans-65.6-39.9176.7-179.5165.9-115.100112Y347 A413 L417 R418 F419 L554 R646Y347-E415 HydrophobicContact CE2-CG 4.26Å; A413-E415 PolarHBondContact O-N 2.9Å; E415-L417 VanDerWaalsContact C-N 3.32Å; E415-L417 PolarHBondContact O-N 3.23Å; E415-R418 PolarHBondContact O-N 3.42Å; E415-F419 WeakPolarHBondContact O-CB 3.43Å; E415-F419 PolarHBondContact O-N 3.34Å; E415-L554 HydrophobicContact CB-CD1 4.39Å; E415-L554 HydrophobicContact CB-CD2 4.35Å; E415-L554 VanDerWaalsContact OE2-CD1 3.32Å; E415-L554 WeakPolarHBondContact OE2-CD1 3.43Å; E415-L554 WeakPolarHBondContact OE2-CD2 3.35Å; E415-R646 IonicContact OE1-CZ 2.73Å; E415-R646 IonicContact OE1-NH1 3.51Å; E415-R646 PolarHBondContact OE1-NH1 3.41Å; E415-R646 IonicContact OE1-NH2 3.22Å; E415-R646 PolarHBondContact OE1-NH2 3.08Å; E415-R646 IonicContact OE2-CZ 3.14Å; E415-R646 IonicContact OE2-NH1 2.64Å; E415-R646 IonicContact OE2-NH2 3.49Å; E415-R646 PolarHBondContact OE2-NH2 3.11Å
416I90.6Very high89.5Confident1 Ų121.6 Ų21.61%0.00512%0.121CC..Hα-helixtrans-65.3-39.7176-57.1-58000110.2L343 Y347 V412 A413 T420 L554L343-I416 HydrophobicContact CB-CG2 3.54Å; Y347-I416 VanDerWaalsContact CB-CD1 3.5Å; Y347-I416 HydrophobicContact CD1-CD1 3.49Å; Y347-I416 VanDerWaalsContact CD1-CD1 3.49Å; Y347-I416 HydrophobicContact CD2-CD1 3.96Å; Y347-I416 HydrophobicContact CE1-CD1 4.15Å; Y347-I416 HydrophobicContact CG-CD1 3.36Å; V412-I416 HydrophobicContact CG1-CB 4.02Å; V412-I416 HydrophobicContact CG1-CG2 3.99Å; A413-I416 HydrophobicContact CB-CG1 4.05Å; A413-I416 WeakPolarHBondContact O-CB 3.37Å; A413-I416 PolarHBondContact O-N 3.27Å; I416-T420 VanDerWaalsContact O-CB 3.27Å; I416-T420 WeakPolarHBondContact O-CB 3.34Å; I416-T420 PolarHBondContact O-N 3.15Å; I416-T420 PolarHBondContact O-OG1 3.15Å; I416-L554 HydrophobicContact CD1-CD2 3.71Å; I416-L554 HydrophobicContact CG1-CD2 3.93Å
417L92.2Very high89.4Confident6 Ų621.2 Ų21.23%0.03112%0.118CC..Hα-helixtrans-62.7-46.6174.4-66.5175.2000111.8V412 A413 N414 E415 T420 R421 V428 V430 L451V412-L417 HydrophobicContact CB-CD1 4.42Å; V412-L417 HydrophobicContact CB-CD2 4.01Å; V412-L417 HydrophobicContact CB-CG 4.1Å; V412-L417 HydrophobicContact CG1-CD2 3.7Å; V412-L417 HydrophobicContact CG1-CG 3.76Å; V412-L417 HydrophobicContact CG2-CD2 4.4Å; A413-L417 PolarHBondContact O-N 3Å; A413-L417 VanDerWaalsContact O-N 3.1Å; N414-L417 PolarHBondContact O-N 2.98Å; E415-L417 VanDerWaalsContact C-N 3.32Å; E415-L417 PolarHBondContact O-N 3.23Å; L417-T420 PolarHBondContact O-N 3.36Å; L417-R421 WeakPolarHBondContact O-CB 3.29Å; L417-R421 WeakPolarHBondContact O-CG 3.39Å; L417-R421 PolarHBondContact O-N 3.04Å; L417-V428 HydrophobicContact CD2-CG1 4Å; L417-V430 HydrophobicContact CD1-CG2 3.9Å; L417-V430 HydrophobicContact CD2-CG2 3.67Å; L417-V430 HydrophobicContact CG-CG2 4.47Å; L417-L451 HydrophobicContact CB-CD2 3.84Å; L417-L451 HydrophobicContact CD1-CD2 3.84Å
418R92.7Very high89.5Confident110 Ų11021.4 Ų21.442%0.41512%0.119SC..Hα-helixtrans-60.6-48.5176.9-78.9-172.9137.7155.8-2.1112.5V372 N414 E415 T420 R421 G422 L451V372-R418 HydrophobicContact CG2-CB 4.49Å; V372-R418 WeakPolarHBondContact CG2-O 3.39Å; N414-R418 PolarHBondContact O-N 3.38Å; E415-R418 PolarHBondContact O-N 3.42Å; R418-T420 VanDerWaalsContact C-N 3.33Å; R418-T420 PolarHBondContact O-N 3.49Å; R418-R421 PolarHBondContact O-N 2.94Å; R418-G422 PolarHBondContact O-N 2.89Å; R418-L451 HydrophobicContact CG-CD1 3.81Å
419F94.8Very high89.8Confident5 Ų521.3 Ų21.32%0.02212%0.117CC..Hα-helixtrans-55.5-50.4174.2166-95.7000111Y347 A350 F364 E415 R421 G422 V423Y347-F419 HydrophobicContact CD2-CB 3.8Å; Y347-F419 AromaticContact CD2-CD1 3.92Å; Y347-F419 HydrophobicContact CD2-CD1 3.92Å; Y347-F419 AromaticContact CD2-CD2 3.65Å; Y347-F419 HydrophobicContact CD2-CD2 3.65Å; Y347-F419 HydrophobicContact CD2-CE1 4.4Å; Y347-F419 HydrophobicContact CD2-CE2 4.11Å; Y347-F419 AromaticContact CD2-CG 3.52Å; Y347-F419 HydrophobicContact CD2-CG 3.52Å; Y347-F419 HydrophobicContact CD2-CZ 4.48Å; Y347-F419 HydrophobicContact CE2-CB 4.21Å; Y347-F419 HydrophobicContact CE2-CD2 4.19Å; Y347-F419 HydrophobicContact CE2-CG 4.26Å; Y347-F419 HydrophobicContact CG-CD1 4.5Å; Y347-F419 HydrophobicContact CG-CG 4.5Å; A350-F419 HydrophobicContact CB-CE2 3.74Å; A350-F419 HydrophobicContact CB-CZ 3.64Å; F364-F419 HydrophobicContact CE1-CD2 4.27Å; F364-F419 HydrophobicContact CE1-CE2 4.12Å; F364-F419 HydrophobicContact CZ-CD2 4.39Å; F364-F419 AromaticContact CZ-CE2 3.88Å; F364-F419 HydrophobicContact CZ-CE2 3.88Å; E415-F419 WeakPolarHBondContact O-CB 3.43Å; E415-F419 PolarHBondContact O-N 3.34Å; F419-R421 PolarHBondContact O-N 3.05Å; F419-G422 PolarHBondContact O-N 2.7Å; F419-V423 HydrophobicContact CD2-CG2 3.73Å; F419-V423 HydrophobicContact CE1-CG2 4.37Å; F419-V423 HydrophobicContact CE2-CG2 3.53Å; F419-V423 HydrophobicContact CG-CG2 4.26Å; F419-V423 HydrophobicContact CZ-CG2 3.86Å; F419-V423 VanDerWaalsContact O-CB 3.31Å; F419-V423 WeakPolarHBondContact O-CB 3.42Å; F419-V423 VanDerWaalsContact O-CG2 3.28Å; F419-V423 WeakPolarHBondContact O-CG2 3.47Å; F419-V423 PolarHBondContact O-N 3.43Å
420T95.4Very high90.5Very high1 Ų120.5 Ų20.51%0.00611%0.111CC..Hα-helixtrans-62.4-44.9-177-55.60000110.7L343 I405 I416 L417 R418 F424 V428L343-T420 HydrophobicContact CD2-CG2 4Å; I405-T420 HydrophobicContact CD1-CG2 3.54Å; I405-T420 HydrophobicContact CG2-CG2 4.32Å; I416-T420 VanDerWaalsContact O-CB 3.27Å; I416-T420 WeakPolarHBondContact O-CB 3.34Å; I416-T420 PolarHBondContact O-N 3.15Å; I416-T420 PolarHBondContact O-OG1 3.15Å; L417-T420 PolarHBondContact O-N 3.36Å; R418-T420 VanDerWaalsContact C-N 3.33Å; R418-T420 PolarHBondContact O-N 3.49Å; T420-F424 HydrophobicContact CG2-CD2 3.92Å; T420-F424 HydrophobicContact CG2-CE2 4.42Å; T420-F424 WeakPolarHBondContact O-CB 3.14Å; T420-F424 WeakPolarHBondContact O-CD2 3.39Å; T420-F424 PolarHBondContact O-N 3.38Å; T420-V428 HydrophobicContact CG2-CG1 4.15Å; T420-V428 HydrophobicContact CG2-CG2 3.77Å
421R94.8Very high91.4Very high15 Ų1519.6 Ų19.66%0.05711%0.105CC..Hα-helixtrans-56.6-56.4174.7-79.1178.8-176.8167.1-1.4110.9Q375 L417 R418 F419 V423 G425 V428 D448 K449Q375-R421 PolarHBondContact NE2-O 3.43Å; L417-R421 WeakPolarHBondContact O-CB 3.29Å; L417-R421 WeakPolarHBondContact O-CG 3.39Å; L417-R421 PolarHBondContact O-N 3.04Å; R418-R421 PolarHBondContact O-N 2.94Å; F419-R421 PolarHBondContact O-N 3.05Å; R421-V423 PolarHBondContact O-N 3.38Å; R421-G425 PolarHBondContact O-N 3.36Å; R421-V428 HydrophobicContact CB-CG2 4.28Å; R421-V428 HydrophobicContact CG-CB 3.73Å; R421-V428 HydrophobicContact CG-CG2 3.52Å; R421-D448 PolarHBondContact NH2-O 3.32Å; R421-D448 VanDerWaalsContact NH2-O 3.09Å; R421-K449 PolarHBondContact NH1-O 3.32Å
422G94.6Very high92.3Very high0 Ų018 Ų180%09%0.092CC..Hα-helixtrans-61.8-44.8-177.100000113.3K371 R418 F419K371-G422 VanDerWaalsContact CB-O 3.3Å; K371-G422 WeakPolarHBondContact CB-O 3.27Å; K371-G422 WeakPolarHBondContact CG-O 3.1Å; R418-G422 PolarHBondContact O-N 2.89Å; F419-G422 PolarHBondContact O-N 2.7Å
423V95.6Very high92.8Very high0 Ų018 Ų180%010%0.095CC..Hα-helixtrans-71.9-41.2-177172.50000112.3F364 V368 F391 I394 R395 F419 R421F364-V423 HydrophobicContact CZ-CG2 4.4Å; V368-V423 HydrophobicContact CG2-CG2 4.33Å; F391-V423 HydrophobicContact CB-CG1 4.34Å; F391-V423 HydrophobicContact CD1-CB 4.24Å; F391-V423 HydrophobicContact CD1-CG1 4.2Å; F391-V423 HydrophobicContact CD1-CG2 3.75Å; F391-V423 HydrophobicContact CE1-CG2 3.83Å; I394-V423 HydrophobicContact CB-CG1 3.81Å; I394-V423 HydrophobicContact CD1-CG1 4.1Å; I394-V423 HydrophobicContact CG2-CG1 3.64Å; R395-V423 PolarHBondContact NE-O 3.42Å; R395-V423 PolarHBondContact NH2-O 2.77Å; F419-V423 HydrophobicContact CD2-CG2 3.73Å; F419-V423 HydrophobicContact CE1-CG2 4.37Å; F419-V423 HydrophobicContact CE2-CG2 3.53Å; F419-V423 HydrophobicContact CG-CG2 4.26Å; F419-V423 HydrophobicContact CZ-CG2 3.86Å; F419-V423 VanDerWaalsContact O-CB 3.31Å; F419-V423 WeakPolarHBondContact O-CB 3.42Å; F419-V423 VanDerWaalsContact O-CG2 3.28Å; F419-V423 WeakPolarHBondContact O-CG2 3.47Å; F419-V423 PolarHBondContact O-N 3.43Å; R421-V423 PolarHBondContact O-N 3.38Å
424F95.1Very high93.4Very high4 Ų418.5 Ų18.52%0.01810%0.095CC..Hα-helixtrans-88.7-19.3-177-73-85.3000113.5N382 I394 R395 L398 I405 T420 C426N382-F424 PolarHBondContact ND2-O 3.39Å; N382-F424 PolarHBondContact OD1-O 2.92Å; I394-F424 HydrophobicContact CG2-CZ 4.47Å; R395-F424 HydrophobicContact CB-CE1 4.45Å; R395-F424 HydrophobicContact CG-CD1 3.92Å; R395-F424 HydrophobicContact CG-CE1 4.19Å; R395-F424 PolarHBondContact NE-O 3.34Å; L398-F424 HydrophobicContact CB-CE1 4.11Å; L398-F424 HydrophobicContact CD1-CD1 4.12Å; L398-F424 HydrophobicContact CD1-CE1 3.25Å; L398-F424 HydrophobicContact CD1-CE2 4.25Å; L398-F424 HydrophobicContact CD1-CZ 3.33Å; L398-F424 HydrophobicContact CG-CE1 3.61Å; L398-F424 HydrophobicContact CG-CZ 3.72Å; I405-F424 HydrophobicContact CD1-CB 3.85Å; I405-F424 HydrophobicContact CD1-CD1 4.02Å; I405-F424 HydrophobicContact CD1-CD2 3.61Å; I405-F424 HydrophobicContact CD1-CE2 4.18Å; I405-F424 HydrophobicContact CD1-CG 3.52Å; T420-F424 HydrophobicContact CG2-CD2 3.92Å; T420-F424 HydrophobicContact CG2-CE2 4.42Å; T420-F424 WeakPolarHBondContact O-CB 3.14Å; T420-F424 WeakPolarHBondContact O-CD2 3.39Å; T420-F424 PolarHBondContact O-N 3.38Å; F424-C426 PolarHBondContact O-N 3.32Å
425G93Very high93.7Very high5 Ų515.3 Ų15.35%0.0528%0.078CC..  trans6328.1177.600000112.8Y380 N382 R421Y380-G425 WeakPolarHBondContact CB-O 3.14Å; N382-G425 WeakPolarHBondContact OD1-CA 3.46Å; R421-G425 PolarHBondContact O-N 3.36Å
426C93.2Very high94.1Very high6 Ų614.1 Ų14.14%0.0417%0.073CC..SBendtrans-132.7164.3-178.173.40000111K403 F424 V428K403-C426 WeakPolarHBondContact O-CB 3.42Å; F424-C426 PolarHBondContact O-N 3.32Å; C426-V428 PolarHBondContact O-N 2.88Å
427P93.1Very high94.4Very high10 Ų1014 Ų147%0.0657%0.072CC..  trans-55.5135.6169.4-25.335.7000111.4F27 Y380 K403 V404 I405 I429 F446F27-P427 HydrophobicContact CE1-CG 4.42Å; F27-P427 HydrophobicContact CE2-CG 4.49Å; F27-P427 HydrophobicContact CZ-CG 3.77Å; Y380-P427 HydrophobicContact CD1-CG 4.27Å; Y380-P427 HydrophobicContact CE1-CG 3.87Å; K403-P427 WeakPolarHBondContact O-CD 3.47Å; V404-P427 HydrophobicContact CG2-CB 4.36Å; I405-P427 PolarHBondContact N-O 3.48Å; P427-I429 HydrophobicContact CB-CD1 4.19Å; P427-F446 HydrophobicContact CB-CB 4.39Å; P427-F446 HydrophobicContact CB-CD1 3.87Å; P427-F446 HydrophobicContact CB-CE1 4.4Å; P427-F446 HydrophobicContact CB-CG 4.22Å; P427-F446 HydrophobicContact CG-CB 4.48Å; P427-F446 HydrophobicContact CG-CD1 3.72Å; P427-F446 HydrophobicContact CG-CE1 4.35Å; P427-F446 HydrophobicContact CG-CG 4.41Å
428V94.7Very high94.6Very high4 Ų413.8 Ų13.82%0.0247%0.071CC..EExtended strand (participates in β ladder)trans-121105.2175-177.30000107.3I405 L417 T420 R421 C426I405-V428 HydrophobicContact CB-CG1 4.45Å; I405-V428 HydrophobicContact CB-CG2 4.35Å; I405-V428 HydrophobicContact CG2-CG1 4.35Å; I405-V428 CarbonylContact O-C 3.25Å; I405-V428 WeakPolarHBondContact O-CA 3.42Å; L417-V428 HydrophobicContact CD2-CG1 4Å; T420-V428 HydrophobicContact CG2-CG1 4.15Å; T420-V428 HydrophobicContact CG2-CG2 3.77Å; R421-V428 HydrophobicContact CB-CG2 4.28Å; R421-V428 HydrophobicContact CG-CB 3.73Å; R421-V428 HydrophobicContact CG-CG2 3.52Å; C426-V428 PolarHBondContact O-N 2.88Å
429I95.1Very high94.7Very high6 Ų69.2 Ų9.23%0.0316%0.058CC..EExtended strand (participates in β ladder)trans-94135-173.4-50.9-54.8000109.3V404 I405 V406 S407 P427 L443 T444 F446V404-I429 HydrophobicContact CG2-CG1 3.9Å; I405-I429 PolarHBondContact O-N 3.3Å; V406-I429 CarbonylContact C-O 3.52Å; V406-I429 WeakPolarHBondContact CA-O 3.28Å; V406-I429 HydrophobicContact CB-CB 4.49Å; V406-I429 HydrophobicContact CG1-CB 4.29Å; V406-I429 HydrophobicContact CG1-CG2 4.39Å; V406-I429 HydrophobicContact CG2-CB 4.16Å; V406-I429 HydrophobicContact CG2-CG1 4.44Å; S407-I429 PolarHBondContact N-O 3.04Å; P427-I429 HydrophobicContact CB-CD1 4.19Å; I429-L443 HydrophobicContact CG2-CB 4.23Å; I429-L443 HydrophobicContact CG2-CD2 3.65Å; I429-T444 WeakPolarHBondContact CA-OG1 3.29Å; I429-T444 WeakPolarHBondContact CG2-O 3.41Å; I429-F446 HydrophobicContact CD1-CD2 3.68Å; I429-F446 HydrophobicContact CD1-CE2 4.05Å; I429-F446 HydrophobicContact CD1-CG 4.12Å; I429-F446 HydrophobicContact CG1-CD2 4.33Å; I429-F446 HydrophobicContact CG1-CE2 4.19Å
430V94.5Very high94.6Very high12 Ų1210.1 Ų10.17%0.0736%0.064CC..EExtended strand (participates in β ladder)trans-107.7126.1172.2-176.10000108.6S407 L417 L443 T444 V454S407-V430 WeakPolarHBondContact O-CA 3.45Å; L417-V430 HydrophobicContact CD1-CG2 3.9Å; L417-V430 HydrophobicContact CD2-CG2 3.67Å; L417-V430 HydrophobicContact CG-CG2 4.47Å; V430-L443 WeakPolarHBondContact O-CA 3.47Å; V430-T444 HydrophobicContact CB-CG2 4.07Å; V430-T444 PolarHBondContact N-OG1 2.93Å; V430-T444 PolarHBondContact O-N 3.49Å; V430-V454 HydrophobicContact CG1-CG1 4.24Å
431G93.8Very high94.7Very high14 Ų1410 Ų1014%0.1446%0.064CC..EExtended strand (participates in β ladder)trans-116.9144.1-179.600000113.1S407 G408 S442 L443S407-G431 PolarHBondContact O-N 3.34Å; G408-G431 WeakPolarHBondContact CA-O 3.23Å; G431-S442 WeakPolarHBondContact CA-O 3.49Å; G431-L443 VanDerWaalsContact CA-CD2 3.47Å
432Y95.5Very high94.8Very high22 Ų229.3 Ų9.39%0.0866%0.061CC..EExtended strand (participates in β ladder)trans-121.9141.4171.5166.6-105.3000110.8I441 S442 V454 T513 D515 L525 I527Y432-I441 HydrophobicContact CD1-CB 3.96Å; Y432-I441 HydrophobicContact CD1-CD1 4.33Å; Y432-I441 HydrophobicContact CD1-CG2 4.1Å; Y432-I441 HydrophobicContact CE1-CB 4.2Å; Y432-I441 HydrophobicContact CE1-CD1 3.77Å; Y432-I441 HydrophobicContact CE1-CG2 4.19Å; Y432-I441 PolarHBondContact O-N 2.9Å; Y432-S442 PolarHBondContact N-O 3.39Å; Y432-S442 PolarHBondContact O-N 3.25Å; Y432-S442 VanDerWaalsContact O-N 3.14Å; Y432-V454 HydrophobicContact CD1-CG2 4.49Å; Y432-V454 HydrophobicContact CG-CG2 4.19Å; Y432-T513 WeakPolarHBondContact OH-CB 3.29Å; Y432-D515 WeakPolarHBondContact CE2-OD2 3.22Å; Y432-D515 PolarHBondContact OH-OD2 3.47Å; Y432-D515 VanDerWaalsContact OH-OD2 3.06Å; Y432-L525 HydrophobicContact CD1-CD2 3.86Å; Y432-L525 HydrophobicContact CE1-CD2 4.05Å; Y432-I527 HydrophobicContact CD1-CD1 3.99Å; Y432-I527 HydrophobicContact CD1-CG1 4.34Å; Y432-I527 HydrophobicContact CD2-CD1 3.94Å; Y432-I527 HydrophobicContact CD2-CG1 3.65Å; Y432-I527 HydrophobicContact CE1-CD1 3.81Å; Y432-I527 HydrophobicContact CE2-CD1 3.76Å; Y432-I527 HydrophobicContact CE2-CG1 3.88Å; Y432-I527 HydrophobicContact CG-CD1 4.05Å; Y432-I527 HydrophobicContact CG-CG1 3.89Å
433G94.2Very high94.8Very high17 Ų1710.3 Ų10.318%0.1757%0.066CC..  trans163.1-179.2174.500000110.2G439G433-G439 CarbonylContact C-O 3.56Å; G433-G439 VanDerWaalsContact C-O 3.24Å; G433-G439 WeakPolarHBondContact CA-O 3.15Å
434F93.2Very high94.8Very high25 Ų2510.6 Ų10.611%0.117%0.068CC..  trans-159.1171.5-171.857.9-74.4000110.6E436 S437 C438 G439 I441 L511 T513F434-E436 VanDerWaalsContact C-N 3.3Å; F434-E436 HydrophobicContact CD2-CB 3.8Å; F434-E436 HydrophobicContact CD2-CG 4.32Å; F434-E436 VanDerWaalsContact CD2-OE2 3.25Å; F434-E436 WeakPolarHBondContact CD2-OE2 3.34Å; F434-E436 HydrophobicContact CE2-CB 3.57Å; F434-E436 HydrophobicContact CE2-CG 4.28Å; F434-E436 PolarHBondContact O-N 3.27Å; F434-S437 PolarHBondContact N-OG 2.93Å; F434-S437 VanDerWaalsContact N-OG 3.08Å; F434-S437 PolarHBondContact O-N 2.78Å; F434-S437 PolarHBondContact O-OG 3.46Å; F434-C438 PolarHBondContact O-N 3.45Å; F434-G439 PolarHBondContact N-O 2.93Å; F434-G439 WeakPolarHBondContact O-CA 3.31Å; F434-G439 PolarHBondContact O-N 3.01Å; F434-I441 HydrophobicContact CD1-CD1 3.74Å; F434-I441 HydrophobicContact CE1-CD1 3.27Å; F434-I441 HydrophobicContact CZ-CD1 4.31Å; F434-L511 HydrophobicContact CE2-CD2 3.57Å; F434-L511 HydrophobicContact CZ-CD2 3.3Å; F434-T513 HydrophobicContact CE1-CG2 3.61Å; F434-T513 HydrophobicContact CZ-CG2 3.63Å
435S94.3Very high94.8Very high8 Ų810.6 Ų10.66%0.0567%0.068CC..G310 helixtrans-54.5-43.5-171.2-58.80000113.4T250 I262 S437 C438T250-S435 WeakPolarHBondContact CG2-OG 3.43Å; I262-S435 WeakPolarHBondContact CD1-O 3.16Å; S435-S437 PolarHBondContact O-N 2.93Å; S435-C438 PolarHBondContact O-N 2.92Å
436E96.3Very high94.7Very high25 Ų2510.9 Ų10.912%0.1177%0.068CC..G310 helixtrans-69.6-13.9-177.8-59.386.1141.300112.6V260 F434 T491 Y494 L504 L511V260-E436 HydrophobicContact CG1-CB 4.39Å; V260-E436 HydrophobicContact CG1-CG 4.12Å; V260-E436 HydrophobicContact CG2-CG 3.85Å; F434-E436 VanDerWaalsContact C-N 3.3Å; F434-E436 HydrophobicContact CD2-CB 3.8Å; F434-E436 HydrophobicContact CD2-CG 4.32Å; F434-E436 VanDerWaalsContact CD2-OE2 3.25Å; F434-E436 WeakPolarHBondContact CD2-OE2 3.34Å; F434-E436 HydrophobicContact CE2-CB 3.57Å; F434-E436 HydrophobicContact CE2-CG 4.28Å; F434-E436 PolarHBondContact O-N 3.27Å; E436-T491 HydrophobicContact CB-CG2 3.67Å; E436-T491 HydrophobicContact CG-CG2 4.21Å; E436-T491 WeakPolarHBondContact O-CB 3.27Å; E436-T491 VanDerWaalsContact O-CG2 3.27Å; E436-T491 WeakPolarHBondContact O-CG2 3.47Å; E436-T491 PolarHBondContact O-N 3.44Å; E436-Y494 HydrophobicContact CG-CE1 4.09Å; E436-Y494 PolarHBondContact OE1-OH 3.04Å; E436-L504 HydrophobicContact CB-CD1 4.41Å; E436-L504 HydrophobicContact CB-CD2 4.17Å; E436-L504 HydrophobicContact CG-CD1 4.21Å; E436-L504 HydrophobicContact CG-CD2 3.83Å; E436-L511 HydrophobicContact CB-CD1 4.05Å; E436-L511 HydrophobicContact CB-CD2 4.34Å; E436-L511 WeakPolarHBondContact O-CD1 3.43Å
437S95.9Very high94.6Very high0 Ų010.6 Ų10.60%07%0.066CC..G310 helixtrans-100.19.4170.766.10000113.9F434 S435 G439 N489F434-S437 PolarHBondContact N-OG 2.93Å; F434-S437 VanDerWaalsContact N-OG 3.08Å; F434-S437 PolarHBondContact O-N 2.78Å; F434-S437 PolarHBondContact O-OG 3.46Å; S435-S437 PolarHBondContact O-N 2.93Å; S437-G439 PolarHBondContact O-N 3.12Å; S437-N489 CarbonylContact C-O 3.5Å; S437-N489 PolarHBondContact O-ND2 3.37Å
438C97Very high94.6Very high0 Ų010.6 Ų10.60%07%0.065CC..THydrogen-bonded Turntrans57.930.3-168.7-160.20000112.8I262 C266 T270 F434 S435 N489I262-C438 HydrophobicContact CD1-CB 4.48Å; C266-C438 HydrophobicContact CB-CB 4.03Å; T270-C438 WeakPolarHBondContact OG1-CB 3.22Å; F434-C438 PolarHBondContact O-N 3.45Å; S435-C438 PolarHBondContact O-N 2.92Å; C438-N489 WeakPolarHBondContact CB-O 3.22Å
439G93.8Very high94.3Very high14 Ų1412.7 Ų12.714%0.1447%0.074CC..THydrogen-bonded Turntrans103.7-42.3166.500000116.8G433 F434 S437G433-G439 CarbonylContact C-O 3.56Å; G433-G439 VanDerWaalsContact C-O 3.24Å; G433-G439 WeakPolarHBondContact CA-O 3.15Å; F434-G439 PolarHBondContact N-O 2.93Å; F434-G439 WeakPolarHBondContact O-CA 3.31Å; F434-G439 PolarHBondContact O-N 3.01Å; S437-G439 PolarHBondContact O-N 3.12Å
440V94.7Very high94.1Very high24 Ų2415 Ų1515%0.1459%0.09CC..  trans-127.7134.4-174.7176.50000112.2L274 L443 I458L274-V440 HydrophobicContact CD2-CB 4.26Å; L274-V440 HydrophobicContact CD2-CG1 4.04Å; L274-V440 HydrophobicContact CD2-CG2 4.15Å; V440-L443 HydrophobicContact CG1-CD1 3.77Å; V440-L443 HydrophobicContact CG1-CG 3.84Å; V440-I458 HydrophobicContact CB-CD1 4.36Å; V440-I458 HydrophobicContact CG1-CD1 4.05Å; V440-I458 HydrophobicContact CG1-CG2 3.67Å; V440-I458 VanDerWaalsContact O-CD1 3.31Å; V440-I458 WeakPolarHBondContact O-CD1 3.39Å
441I96.5Very high93.9Very high0 Ų016.7 Ų16.70%010%0.099CC..SBendtrans-118.1-43.9173.6-71.5166.3000111.3Y432 F434 L457 I458 I461 V485Y432-I441 HydrophobicContact CD1-CB 3.96Å; Y432-I441 HydrophobicContact CD1-CD1 4.33Å; Y432-I441 HydrophobicContact CD1-CG2 4.1Å; Y432-I441 HydrophobicContact CE1-CB 4.2Å; Y432-I441 HydrophobicContact CE1-CD1 3.77Å; Y432-I441 HydrophobicContact CE1-CG2 4.19Å; Y432-I441 PolarHBondContact O-N 2.9Å; F434-I441 HydrophobicContact CD1-CD1 3.74Å; F434-I441 HydrophobicContact CE1-CD1 3.27Å; F434-I441 HydrophobicContact CZ-CD1 4.31Å; I441-L457 HydrophobicContact CG2-CD2 3.99Å; I441-I458 PolarHBondContact O-N 3.14Å; I441-I461 HydrophobicContact CB-CD1 4.31Å; I441-I461 HydrophobicContact CG1-CD1 4.13Å; I441-I461 HydrophobicContact CG2-CG2 4.43Å; I441-V485 HydrophobicContact CD1-CB 4.47Å; I441-V485 HydrophobicContact CD1-CG1 3.93Å; I441-V485 HydrophobicContact CD1-CG2 3.95Å; I441-V485 HydrophobicContact CG1-CG1 4.4Å; I441-V485 HydrophobicContact CG2-CG1 3.92Å
442S96.1Very high93.5Very high0 Ų017.5 Ų17.50%011%0.107CC..EExtended strand (participates in β ladder)trans-142.7150.6-179.1710000111.8G431 Y432 V454 A456G431-S442 WeakPolarHBondContact CA-O 3.49Å; Y432-S442 PolarHBondContact N-O 3.39Å; Y432-S442 PolarHBondContact O-N 3.25Å; Y432-S442 VanDerWaalsContact O-N 3.14Å; S442-V454 CarbonylContact C-O 3.53Å; S442-V454 VanDerWaalsContact OG-CG2 3.26Å; S442-V454 WeakPolarHBondContact OG-CG2 3.37Å; S442-V454 PolarHBondContact OG-O 2.77Å; S442-A456 CarbonylContact C-O 3.57Å; S442-A456 WeakPolarHBondContact CA-O 3.2Å; S442-A456 WeakPolarHBondContact CB-O 3.47Å
443L95.5Very high93.4Very high20 Ų2017.1 Ų17.111%0.10511%0.106CC..EExtended strand (participates in β ladder)trans-142.7140.9178.2-76162.2000109.8L274 V406 I429 V430 G431 V440 V454 G455 A456 I458L274-L443 HydrophobicContact CD2-CD1 3.42Å; L274-L443 VanDerWaalsContact CD2-CD1 3.42Å; V406-L443 HydrophobicContact CG1-CD2 4.36Å; I429-L443 HydrophobicContact CG2-CB 4.23Å; I429-L443 HydrophobicContact CG2-CD2 3.65Å; V430-L443 WeakPolarHBondContact O-CA 3.47Å; G431-L443 VanDerWaalsContact CA-CD2 3.47Å; V440-L443 HydrophobicContact CG1-CD1 3.77Å; V440-L443 HydrophobicContact CG1-CG 3.84Å; L443-V454 CarbonylContact C-O 3.59Å; L443-V454 WeakPolarHBondContact CA-O 3.39Å; L443-V454 PolarHBondContact N-O 2.88Å; L443-G455 CarbonylContact O-C 3.55Å; L443-A456 PolarHBondContact N-O 3.42Å; L443-A456 PolarHBondContact O-N 2.95Å; L443-I458 HydrophobicContact CD1-CG2 4.12Å; L443-I458 HydrophobicContact CG-CG2 4.46Å
444T95.5Very high93.4Very high6 Ų617.2 Ų17.24%0.03710%0.103CC..  trans-65.1143.1168.758.40000110.3I429 V430I429-T444 WeakPolarHBondContact CA-OG1 3.29Å; I429-T444 WeakPolarHBondContact CG2-O 3.41Å; V430-T444 HydrophobicContact CB-CG2 4.07Å; V430-T444 PolarHBondContact N-OG1 2.93Å; V430-T444 PolarHBondContact O-N 3.49Å
445L94.1Very high93.5Very high4 Ų416 Ų162%0.02110%0.098CC..  trans-68.4159173-68.9173.8000111.2L29 F32 L33 Q36 G447 D448L29-L445 HydrophobicContact CB-CD1 4.42Å; L29-L445 HydrophobicContact CB-CD2 3.68Å; L29-L445 HydrophobicContact CD1-CD2 3.63Å; L29-L445 HydrophobicContact CG-CD2 4.29Å; F32-L445 HydrophobicContact CB-CD1 4.2Å; L33-L445 HydrophobicContact CD2-CB 4.09Å; L33-L445 HydrophobicContact CD2-CD1 4.06Å; Q36-L445 HydrophobicContact CG-CD1 4.31Å; L445-G447 PolarHBondContact O-N 3.21Å; L445-D448 HydrophobicContact CB-CB 4.12Å; L445-D448 VanDerWaalsContact O-CB 3.32Å; L445-D448 WeakPolarHBondContact O-CB 3.27Å; L445-D448 PolarHBondContact O-N 3.39Å
446F92.8Very high93.5Very high12 Ų1215.7 Ų15.75%0.05310%0.096CC..THydrogen-bonded Turntrans-64.3-40.2-175-85.2-132.8000112.8F27 L278 E279 I282 Y380 V404 P427 I429 D448F27-F446 HydrophobicContact CB-CB 4.46Å; F27-F446 HydrophobicContact CD1-CB 3.71Å; F27-F446 HydrophobicContact CD1-CD1 4.15Å; F27-F446 HydrophobicContact CD1-CG 4.33Å; F27-F446 HydrophobicContact CD2-CB 3.93Å; F27-F446 HydrophobicContact CE1-CB 3.83Å; F27-F446 AromaticContact CE1-CD1 3.73Å; F27-F446 HydrophobicContact CE1-CD1 3.73Å; F27-F446 HydrophobicContact CE1-CG 4.26Å; F27-F446 HydrophobicContact CE2-CB 4.01Å; F27-F446 HydrophobicContact CG-CB 3.78Å; F27-F446 HydrophobicContact CZ-CB 3.98Å; F27-F446 HydrophobicContact CZ-CD1 4.23Å; L278-F446 HydrophobicContact CD2-CZ 4.39Å; E279-F446 HydrophobicContact CB-CB 4.37Å; E279-F446 HydrophobicContact CB-CD1 3.95Å; E279-F446 HydrophobicContact CB-CD2 4.16Å; E279-F446 HydrophobicContact CB-CE1 4.27Å; E279-F446 HydrophobicContact CB-CE2 4.47Å; E279-F446 HydrophobicContact CB-CG 3.91Å; E279-F446 HydrophobicContact CG-CD2 4.26Å; E279-F446 HydrophobicContact CG-CG 4.34Å; E279-F446 VanDerWaalsContact O-CE1 3.22Å; E279-F446 WeakPolarHBondContact O-CE1 3.41Å; E279-F446 WeakPolarHBondContact OE1-CB 3.26Å; E279-F446 PolarHBondContact OE1-N 2.81Å; I282-F446 HydrophobicContact CD1-CE1 3.72Å; I282-F446 HydrophobicContact CD1-CZ 4.44Å; Y380-F446 PolarHBondContact OH-O 2.92Å; V404-F446 HydrophobicContact CG2-CE1 4.25Å; V404-F446 HydrophobicContact CG2-CZ 4.09Å; P427-F446 HydrophobicContact CB-CB 4.39Å; P427-F446 HydrophobicContact CB-CD1 3.87Å; P427-F446 HydrophobicContact CB-CE1 4.4Å; P427-F446 HydrophobicContact CB-CG 4.22Å; P427-F446 HydrophobicContact CG-CB 4.48Å; P427-F446 HydrophobicContact CG-CD1 3.72Å; P427-F446 HydrophobicContact CG-CE1 4.35Å; P427-F446 HydrophobicContact CG-CG 4.41Å; I429-F446 HydrophobicContact CD1-CD2 3.68Å; I429-F446 HydrophobicContact CD1-CE2 4.05Å; I429-F446 HydrophobicContact CD1-CG 4.12Å; I429-F446 HydrophobicContact CG1-CD2 4.33Å; I429-F446 HydrophobicContact CG1-CE2 4.19Å; F446-D448 VanDerWaalsContact C-N 3.29Å
447G90.9Very high93.5Very high0 Ų014.5 Ų14.50%09%0.09CC..THydrogen-bonded Turntrans-84.73.7174.300000114.6D30 L445 K449D30-G447 VanDerWaalsContact OD1-CA 3.25Å; D30-G447 WeakPolarHBondContact OD1-CA 3.43Å; L445-G447 PolarHBondContact O-N 3.21Å; G447-K449 VanDerWaalsContact O-CD 3.31Å; G447-K449 WeakPolarHBondContact O-CD 3.41Å; G447-K449 VanDerWaalsContact O-CE 3.25Å; G447-K449 WeakPolarHBondContact O-CE 3.21Å; G447-K449 PolarHBondContact O-N 2.88Å; G447-K449 VanDerWaalsContact O-N 3.08Å
448D92.3Very high93.4Very high9 Ų914.5 Ų14.55%0.0489%0.09CC..  trans-73.2104.7177.7-165.1-16.1000111L33 Q36 R421 L445 F446 S450 H453L33-D448 HydrophobicContact CD2-CB 3.67Å; Q36-D448 PolarHBondContact NE2-OD2 3.31Å; Q36-D448 PolarHBondContact OE1-OD2 3.01Å; R421-D448 PolarHBondContact NH2-O 3.32Å; R421-D448 VanDerWaalsContact NH2-O 3.09Å; L445-D448 HydrophobicContact CB-CB 4.12Å; L445-D448 VanDerWaalsContact O-CB 3.32Å; L445-D448 WeakPolarHBondContact O-CB 3.27Å; L445-D448 PolarHBondContact O-N 3.39Å; F446-D448 VanDerWaalsContact C-N 3.29Å; D448-S450 WeakPolarHBondContact OD1-CB 3.34Å; D448-S450 PolarHBondContact OD1-N 2.91Å; D448-S450 PolarHBondContact OD1-OG 2.87Å; D448-H453 IonicContact OD1-CE1 3.91Å; D448-H453 IonicContact OD1-NE2 3.45Å; D448-H453 IonicContact OD2-CE1 3.73Å; D448-H453 PolarHBondContact OD2-CE1 3.43Å; D448-H453 IonicContact OD2-NE2 3.35Å
449K88.5Confident93.3Very high48 Ų4814.9 Ų14.921%0.2099%0.092CC..  trans-88.1-13.3179-59.4121.3-172.9-171.20112.6Q375 E376 N378 R421 G447Q375-K449 WeakPolarHBondContact O-CE 3.5Å; E376-K449 PolarHBondContact O-NZ 2.65Å; E376-K449 WeakPolarHBondContact OE1-CB 3.39Å; E376-K449 WeakPolarHBondContact OE2-CD 3.31Å; N378-K449 WeakPolarHBondContact OD1-CE 3.33Å; N378-K449 PolarHBondContact OD1-NZ 2.94Å; R421-K449 PolarHBondContact NH1-O 3.32Å; G447-K449 VanDerWaalsContact O-CD 3.31Å; G447-K449 WeakPolarHBondContact O-CD 3.41Å; G447-K449 VanDerWaalsContact O-CE 3.25Å; G447-K449 WeakPolarHBondContact O-CE 3.21Å; G447-K449 PolarHBondContact O-N 2.88Å; G447-K449 VanDerWaalsContact O-N 3.08Å
450S91.1Very high93.2Very high54 Ų5417 Ų1738%0.37812%0.115SC..  trans-67.6160.2-18065.50000111.3D448 H453D448-S450 WeakPolarHBondContact OD1-CB 3.34Å; D448-S450 PolarHBondContact OD1-N 2.91Å; D448-S450 PolarHBondContact OD1-OG 2.87Å; S450-H453 PolarHBondContact O-NE2 2.75Å; S450-H453 PolarHBondContact OG-NE2 2.9Å
451L89.7Confident93.1Very high49 Ų4915.9 Ų15.926%0.25711%0.108SC..  trans-130.3155.4-168.1-66.8176.1000110.5N414 L417 R418N414-L451 HydrophobicContact CB-CB 4.44Å; N414-L451 HydrophobicContact CB-CD1 4.1Å; L417-L451 HydrophobicContact CB-CD2 3.84Å; L417-L451 HydrophobicContact CD1-CD2 3.84Å; R418-L451 HydrophobicContact CG-CD1 3.81Å
452G86Confident93.1Very high30 Ų3017.2 Ų17.231%0.30912%0.117SC..SBendtrans80.423.3173.900000114.7N414 K526N414-G452 PolarHBondContact OD1-N 2.54Å; G452-K526 WeakPolarHBondContact O-CD 3.18Å; G452-K526 VanDerWaalsContact O-CE 3.22Å; G452-K526 WeakPolarHBondContact O-CE 3.37Å; G452-K526 VanDerWaalsContact O-CG 3.25Å; G452-K526 WeakPolarHBondContact O-CG 3.49Å
453H92.9Very high93.1Very high15 Ų1517.2 Ų17.27%0.06912%0.117CC..SBendtrans-138.8169170.963.483.5000109.7D448 S450 G455 T520 L525 K526D448-H453 IonicContact OD1-CE1 3.91Å; D448-H453 IonicContact OD1-NE2 3.45Å; D448-H453 IonicContact OD2-CE1 3.73Å; D448-H453 PolarHBondContact OD2-CE1 3.43Å; D448-H453 IonicContact OD2-NE2 3.35Å; S450-H453 PolarHBondContact O-NE2 2.75Å; S450-H453 PolarHBondContact OG-NE2 2.9Å; H453-G455 PolarHBondContact ND1-N 2.74Å; H453-T520 HydrophobicContact CB-CG2 3.93Å; H453-L525 WeakPolarHBondContact CB-O 3.42Å; H453-K526 HydrophobicContact CB-CB 3.96Å
454V94.3Very high93.1Very high19 Ų1918 Ų1812%0.11512%0.12CC..  trans-108.49.4-178.4-62.90000112.7V430 Y432 S442 L443 L525 I527V430-V454 HydrophobicContact CG1-CG1 4.24Å; Y432-V454 HydrophobicContact CD1-CG2 4.49Å; Y432-V454 HydrophobicContact CG-CG2 4.19Å; S442-V454 CarbonylContact C-O 3.53Å; S442-V454 VanDerWaalsContact OG-CG2 3.26Å; S442-V454 WeakPolarHBondContact OG-CG2 3.37Å; S442-V454 PolarHBondContact OG-O 2.77Å; L443-V454 CarbonylContact C-O 3.59Å; L443-V454 WeakPolarHBondContact CA-O 3.39Å; L443-V454 PolarHBondContact N-O 2.88Å; V454-L525 HydrophobicContact CG2-CB 3.94Å; V454-L525 HydrophobicContact CG2-CD2 4.11Å; V454-L525 HydrophobicContact CG2-CG 3.87Å; V454-L525 WeakPolarHBondContact CG2-O 3.35Å; V454-L525 PolarHBondContact N-O 3.15Å; V454-I527 HydrophobicContact CG1-CG1 4.08Å; V454-I527 HydrophobicContact CG2-CD1 4.36Å; V454-I527 HydrophobicContact CG2-CG1 3.81Å
455G94.8Very high93.1Very high0 Ų018.2 Ų18.20%012%0.121CC..BIsolated β-bridgetrans89.7-16316300000115L443 H453 S524 L525L443-G455 CarbonylContact O-C 3.55Å; H453-G455 PolarHBondContact ND1-N 2.74Å; G455-S524 CarbonylContact O-C 3.46Å; G455-S524 WeakPolarHBondContact O-CA 3.4Å; G455-L525 PolarHBondContact N-O 3.28Å; G455-L525 PolarHBondContact O-N 2.88Å
456A95.3Very high93.1Very high0 Ų020 Ų200%013%0.132CC..EExtended strand (participates in β ladder)trans-74.5146.9-177.500000111.5Q36 S442 L443 I458Q36-A456 HydrophobicContact CB-CB 3.89Å; Q36-A456 WeakPolarHBondContact O-CB 3.13Å; S442-A456 CarbonylContact C-O 3.57Å; S442-A456 WeakPolarHBondContact CA-O 3.2Å; S442-A456 WeakPolarHBondContact CB-O 3.47Å; L443-A456 PolarHBondContact N-O 3.42Å; L443-A456 PolarHBondContact O-N 2.95Å; A456-I458 PolarHBondContact O-N 3.43Å
457L95.7Very high93.1Very high0 Ų023 Ų230%015%0.148CC..EExtended strand (participates in β ladder)trans-60.2135.1169.6-65.1175.7000110.1R47 S49 R277 I441 A463 W519R47-L457 HydrophobicContact CB-CD1 4.31Å; R47-L457 WeakPolarHBondContact O-CD1 3.42Å; S49-L457 VanDerWaalsContact CB-O 3.31Å; S49-L457 WeakPolarHBondContact CB-O 3.4Å; S49-L457 PolarHBondContact OG-O 2.95Å; R277-L457 PolarHBondContact NH2-O 2.94Å; I441-L457 HydrophobicContact CG2-CD2 3.99Å; L457-A463 HydrophobicContact CD1-CB 3.9Å; L457-A463 HydrophobicContact CD2-CB 3.8Å; L457-W519 HydrophobicContact CD1-CH2 3.95Å; L457-W519 HydrophobicContact CD2-CH2 4.14Å; L457-W519 HydrophobicContact CG-CH2 4.12Å; L457-W519 HydrophobicContact CG-CZ3 4.36Å
458I94.6Very high93Very high0 Ų023.2 Ų23.20%015%0.149CC..PPolyproline II helixtrans-67.1154.2173.168.4172.8000110.4V440 I441 L443 A456 I461V440-I458 HydrophobicContact CB-CD1 4.36Å; V440-I458 HydrophobicContact CG1-CD1 4.05Å; V440-I458 HydrophobicContact CG1-CG2 3.67Å; V440-I458 VanDerWaalsContact O-CD1 3.31Å; V440-I458 WeakPolarHBondContact O-CD1 3.39Å; I441-I458 PolarHBondContact O-N 3.14Å; L443-I458 HydrophobicContact CD1-CG2 4.12Å; L443-I458 HydrophobicContact CG-CG2 4.46Å; A456-I458 PolarHBondContact O-N 3.43Å; I458-I461 HydrophobicContact CD1-CD1 3.85Å; I458-I461 HydrophobicContact CD1-CG1 4.48Å; I458-I461 HydrophobicContact CG1-CD1 3.62Å; I458-I461 HydrophobicContact CG1-CG1 4.02Å; I458-I461 PolarHBondContact O-N 2.91Å
459P93.2Very high92.8Very high8 Ų827.9 Ų27.95%0.05218%0.18CC..THydrogen-bonded Turntrans-54.6147.4176-25.935.9000112.2S273 Q276 I461S273-P459 WeakPolarHBondContact CB-O 3.48Å; S273-P459 PolarHBondContact OG-O 2.64Å; Q276-P459 HydrophobicContact CB-CG 3.93Å; Q276-P459 VanDerWaalsContact OE1-CB 3.29Å; P459-I461 VanDerWaalsContact C-N 3.27Å; P459-I461 PolarHBondContact O-N 3.28Å
460G92.2Very high92.5Very high59 Ų5933.7 Ų33.761%0.60820%0.202SC*.THydrogen-bonded Turntrans81.1-2.1178.400000115.6G487G460-G487 WeakPolarHBondContact O-CA 3.44Å
461I93.6Very high91.8Very high0 Ų031.6 Ų31.60%019%0.186CC..EExtended strand (participates in β ladder)trans-107.6139.2172.7-65.6-175.3000111.2T48 I441 I458 P459 V485 N489T48-I461 PolarHBondContact OG1-O 3.15Å; I441-I461 HydrophobicContact CB-CD1 4.31Å; I441-I461 HydrophobicContact CG1-CD1 4.13Å; I441-I461 HydrophobicContact CG2-CG2 4.43Å; I458-I461 HydrophobicContact CD1-CD1 3.85Å; I458-I461 HydrophobicContact CD1-CG1 4.48Å; I458-I461 HydrophobicContact CG1-CD1 3.62Å; I458-I461 HydrophobicContact CG1-CG1 4.02Å; I458-I461 PolarHBondContact O-N 2.91Å; P459-I461 VanDerWaalsContact C-N 3.27Å; P459-I461 PolarHBondContact O-N 3.28Å; I461-V485 HydrophobicContact CG2-CB 4.34Å; I461-V485 HydrophobicContact CG2-CG1 4.48Å; I461-N489 WeakPolarHBondContact CD1-ND2 3.5Å; I461-N489 WeakPolarHBondContact CG1-OD1 3.36Å
462S95.2Very high91.4Very high29 Ų2931.5 Ų31.520%0.20320%0.197CC..EExtended strand (participates in β ladder)trans-110.6144.8161.5-62.80000109.7R47 V485 K486R47-S462 CarbonylContact O-C 3.55Å; R47-S462 VanDerWaalsContact O-CA 3.29Å; R47-S462 WeakPolarHBondContact O-CA 3.43Å; S462-V485 CarbonylContact O-C 3.5Å; S462-V485 WeakPolarHBondContact O-CA 3.26Å; S462-K486 PolarHBondContact N-O 3.29Å; S462-K486 PolarHBondContact O-N 2.87Å
463A96.9Very high91.2Very high0 Ų030.5 Ų30.50%019%0.185CC..EExtended strand (participates in β ladder)trans-135.5144.717700000111.2T46 R47 L457 C484 V485 W519T46-A463 CarbonylContact C-O 3.05Å; T46-A463 WeakPolarHBondContact CA-O 3.4Å; R47-A463 PolarHBondContact N-O 2.78Å; R47-A463 PolarHBondContact O-N 3.08Å; L457-A463 HydrophobicContact CD1-CB 3.9Å; L457-A463 HydrophobicContact CD2-CB 3.8Å; A463-C484 CarbonylContact C-O 3.52Å; A463-C484 VanDerWaalsContact CA-O 3.23Å; A463-C484 WeakPolarHBondContact CA-O 3.5Å; A463-V485 HydrophobicContact CB-CG1 3.99Å; A463-W519 HydrophobicContact CB-CH2 4.02Å; A463-W519 HydrophobicContact CB-CZ2 4.14Å
464K95.6Very high91Very high37 Ų3730.8 Ų30.816%0.16119%0.188CC..EExtended strand (participates in β ladder)trans-130.2157.4171.467.4-178.9-177.2-174.20110.6N45 T46 V466 C484 D506 W510N45-K464 WeakPolarHBondContact O-CA 3.17Å; T46-K464 HydrophobicContact CG2-CB 4.25Å; K464-V466 HydrophobicContact CD-CG2 4.06Å; K464-V466 HydrophobicContact CG-CG2 3.97Å; K464-C484 HydrophobicContact CG-CB 3.88Å; K464-C484 PolarHBondContact N-O 3.3Å; K464-C484 PolarHBondContact O-N 2.82Å; K464-D506 IonicContact NZ-OD2 2.69Å; K464-W510 HydrophobicContact CB-CH2 4.46Å; K464-W510 HydrophobicContact CB-CZ3 4.41Å; K464-W510 HydrophobicContact CD-CD2 3.86Å; K464-W510 HydrophobicContact CD-CE3 4.14Å; K464-W510 HydrophobicContact CD-CG 4.37Å; K464-W510 HydrophobicContact CD-CH2 4.33Å; K464-W510 HydrophobicContact CD-CZ2 4.05Å; K464-W510 HydrophobicContact CD-CZ3 4.36Å; K464-W510 HydrophobicContact CG-CD2 4.23Å; K464-W510 HydrophobicContact CG-CE3 3.98Å; K464-W510 HydrophobicContact CG-CH2 4.31Å; K464-W510 HydrophobicContact CG-CZ3 4.02Å
465L95Very high90.9Very high10 Ų1030.3 Ų30.35%0.05219%0.185CC..EExtended strand (participates in β ladder)trans-96.3136.7165.5-57.5179.4000109V475 E482 V483 W519L465-V475 HydrophobicContact CB-CG1 4.09Å; L465-V475 HydrophobicContact CB-CG2 3.72Å; L465-E482 CarbonylContact C-O 3.33Å; L465-E482 WeakPolarHBondContact CA-O 3.33Å; L465-V483 HydrophobicContact CD2-CG2 3.91Å; L465-W519 HydrophobicContact CD1-CG 4.46Å
466V93.9Very high90.6Very high42 Ų4237.3 Ų37.326%0.25522%0.218SC..EExtended strand (participates in β ladder)trans-121.4141.6179.2-175.20000109.6K464 G481 E482 C484K464-V466 HydrophobicContact CD-CG2 4.06Å; K464-V466 HydrophobicContact CG-CG2 3.97Å; V466-G481 CarbonylContact O-C 3.51Å; V466-G481 WeakPolarHBondContact O-CA 3.32Å; V466-E482 PolarHBondContact N-O 3.39Å; V466-E482 PolarHBondContact O-N 3.07Å; V466-C484 HydrophobicContact CG2-CB 4.15Å; V466-C484 VanDerWaalsContact CG2-SG 3.52Å
467D92.5Very high90.2Very high75 Ų7545.8 Ų45.840%0.40126%0.255SS..  trans-57.2149174.7-77.19.9000111.2P469 S474 V475D467-P469 WeakPolarHBondContact O-CD 3.47Å; D467-S474 WeakPolarHBondContact OD1-CA 3.41Å; D467-V475 WeakPolarHBondContact OD1-CB 3.35Å; D467-V475 VanDerWaalsContact OD1-CG2 3.3Å; D467-V475 WeakPolarHBondContact OD1-CG2 3.45Å; D467-V475 PolarHBondContact OD1-N 2.76Å
468V89.6Confident89.9Confident3 Ų350 Ų502%0.01828%0.276CS..BIsolated β-bridgetrans-124.578175.3-166.60000108.5Y470 M471 G472 I473 E482 I516V468-Y470 VanDerWaalsContact C-N 3.31Å; V468-Y470 HydrophobicContact CG1-CD1 3.71Å; V468-Y470 HydrophobicContact CG1-CE1 3.14Å; V468-Y470 HydrophobicContact CG1-CE2 4.14Å; V468-Y470 HydrophobicContact CG1-CG 4.39Å; V468-Y470 PolarHBondContact O-N 2.98Å; V468-M471 HydrophobicContact CB-CB 4.45Å; V468-M471 HydrophobicContact CG1-CB 4.11Å; V468-M471 HydrophobicContact CG1-CG 3.82Å; V468-M471 HydrophobicContact CG1-SD 3.79Å; V468-M471 CarbonylContact O-C 3.59Å; V468-M471 PolarHBondContact O-N 3.29Å; V468-G472 PolarHBondContact O-N 3.34Å; V468-I473 CarbonylContact C-O 3.58Å; V468-I473 HydrophobicContact CB-CB 4.07Å; V468-I473 PolarHBondContact N-O 3.21Å; V468-I473 PolarHBondContact O-N 3.1Å; V468-I473 VanDerWaalsContact O-N 3.14Å; V468-E482 HydrophobicContact CG2-CB 3.74Å; V468-I516 HydrophobicContact CG2-CD1 3.69Å
469P87.4Confident89.6Confident107 Ų10756.4 Ų56.470%0.69530%0.304SS*.G310 helixtrans-60.9-34.8-168.1-26.335.5000114D467 M471 G472D467-P469 WeakPolarHBondContact O-CD 3.47Å; P469-M471 PolarHBondContact O-N 3.42Å; P469-G472 PolarHBondContact O-N 3.41Å
470Y82.6Confident89.5Confident171 Ų17158.8 Ų58.867%0.67132%0.315SS*.G310 helixtrans-66.4-19.8178.170.4-92.8000113V468V468-Y470 VanDerWaalsContact C-N 3.31Å; V468-Y470 HydrophobicContact CG1-CD1 3.71Å; V468-Y470 HydrophobicContact CG1-CE1 3.14Å; V468-Y470 HydrophobicContact CG1-CE2 4.14Å; V468-Y470 HydrophobicContact CG1-CG 4.39Å; V468-Y470 PolarHBondContact O-N 2.98Å
471M77.2Confident89.5Confident9 Ų956 Ų564%0.04429%0.286CS..G310 helixtrans-98.7-1.1170.3-59.5-178.870.900112.3V468 P469 I473 C531 I534 Y542V468-M471 HydrophobicContact CB-CB 4.45Å; V468-M471 HydrophobicContact CG1-CB 4.11Å; V468-M471 HydrophobicContact CG1-CG 3.82Å; V468-M471 HydrophobicContact CG1-SD 3.79Å; V468-M471 CarbonylContact O-C 3.59Å; V468-M471 PolarHBondContact O-N 3.29Å; P469-M471 PolarHBondContact O-N 3.42Å; M471-I473 HydrophobicContact CB-CD1 3.88Å; M471-I473 HydrophobicContact CB-CG1 3.88Å; M471-I473 HydrophobicContact CE-CD1 3.97Å; M471-I473 PolarHBondContact O-N 3.39Å; M471-I473 HydrophobicContact SD-CD1 4.07Å; M471-C531 HydrophobicContact SD-CB 4.22Å; M471-I534 HydrophobicContact CE-CB 3.64Å; M471-I534 HydrophobicContact CE-CD1 4.08Å; M471-I534 HydrophobicContact CE-CG1 4.41Å; M471-I534 HydrophobicContact CE-CG2 3.71Å; M471-Y542 VanDerWaalsContact C-OH 3.23Å; M471-Y542 HydrophobicContact CE-CE1 4.47Å; M471-Y542 VanDerWaalsContact O-CE2 3.25Å; M471-Y542 WeakPolarHBondContact O-CE2 3.48Å; M471-Y542 PolarHBondContact O-OH 3.04Å
472G80Confident89.6Confident47 Ų4757.4 Ų57.449%0.48529%0.292SS..THydrogen-bonded Turntrans64.318.6-172.800000113.8V468 P469 M478V468-G472 PolarHBondContact O-N 3.34Å; P469-G472 PolarHBondContact O-N 3.41Å; G472-M478 VanDerWaalsContact O-CE 3.23Å; G472-M478 WeakPolarHBondContact O-CE 3.18Å
473I83.4Confident89.7Confident10 Ų1056 Ų565%0.05128%0.283CS..BIsolated β-bridgetrans-84.9123.8177.1-62.1172.3000108.2V468 M471 M478 M480 I516V468-I473 CarbonylContact C-O 3.58Å; V468-I473 HydrophobicContact CB-CB 4.07Å; V468-I473 PolarHBondContact N-O 3.21Å; V468-I473 PolarHBondContact O-N 3.1Å; V468-I473 VanDerWaalsContact O-N 3.14Å; M471-I473 HydrophobicContact CB-CD1 3.88Å; M471-I473 HydrophobicContact CB-CG1 3.88Å; M471-I473 HydrophobicContact CE-CD1 3.97Å; M471-I473 PolarHBondContact O-N 3.39Å; M471-I473 HydrophobicContact SD-CD1 4.07Å; I473-M478 HydrophobicContact CB-SD 4.48Å; I473-M478 HydrophobicContact CG1-SD 4.41Å; I473-M478 HydrophobicContact CG2-SD 4.47Å; I473-M480 HydrophobicContact CG2-CG 3.76Å; I473-M480 VanDerWaalsContact CG2-O 3.23Å; I473-M480 WeakPolarHBondContact CG2-O 3.14Å; I473-I516 HydrophobicContact CD1-CD1 3.81Å; I473-I516 HydrophobicContact CD1-CG1 4.14Å
474S88.7Confident89.7Confident20 Ų2056 Ų5614%0.1428%0.283CS..  trans-123.7127.7174.3169.10000109.5D467 E476 K477 M478D467-S474 WeakPolarHBondContact OD1-CA 3.41Å; S474-E476 VanDerWaalsContact C-N 3.28Å; S474-E476 PolarHBondContact O-N 3.3Å; S474-E476 PolarHBondContact OG-N 2.87Å; S474-K477 PolarHBondContact O-N 2.95Å; S474-M478 WeakPolarHBondContact O-CA 3.25Å; S474-M478 VanDerWaalsContact O-CB 3.32Å; S474-M478 WeakPolarHBondContact O-CB 3.42Å; S474-M478 PolarHBondContact O-N 3.43Å
475V91.2Very high89.8Confident9 Ų954.2 Ų54.26%0.05528%0.275CS..Hα-helixtrans-60.4-41178176.20000110.2L465 D467 K477 K479 M480L465-V475 HydrophobicContact CB-CG1 4.09Å; L465-V475 HydrophobicContact CB-CG2 3.72Å; D467-V475 WeakPolarHBondContact OD1-CB 3.35Å; D467-V475 VanDerWaalsContact OD1-CG2 3.3Å; D467-V475 WeakPolarHBondContact OD1-CG2 3.45Å; D467-V475 PolarHBondContact OD1-N 2.76Å; V475-K477 PolarHBondContact O-N 2.86Å; V475-K479 WeakPolarHBondContact O-CA 3.23Å; V475-K479 PolarHBondContact O-N 3.37Å; V475-M480 WeakPolarHBondContact CA-O 3.49Å; V475-M480 PolarHBondContact N-O 3.35Å
476E89.7Confident89.8Confident148 Ų14858.4 Ų58.469%0.69229%0.293SS*.Hα-helixtrans-60.3-50179.5-171.3-172.2173.600111.6S474 K479S474-E476 VanDerWaalsContact C-N 3.28Å; S474-E476 PolarHBondContact O-N 3.3Å; S474-E476 PolarHBondContact OG-N 2.87Å; E476-K479 WeakPolarHBondContact O-CE 3.35Å; E476-K479 PolarHBondContact O-NZ 2.84Å
477K86.6Confident89.9Confident177 Ų17757.5 Ų57.577%0.7729%0.292SS*.Hα-helixtrans-81.9-42.6-173-64.6-179.2-178.7175.80113.3S474 V475S474-K477 PolarHBondContact O-N 2.95Å; V475-K477 PolarHBondContact O-N 2.86Å
478M88.1Confident90Very high89 Ų8958.6 Ų58.644%0.43830%0.297SS..Hα-helixtrans-102.3-8-171.8-59.7-171.2178.900113.3G472 I473 S474 M480G472-M478 VanDerWaalsContact O-CE 3.23Å; G472-M478 WeakPolarHBondContact O-CE 3.18Å; I473-M478 HydrophobicContact CB-SD 4.48Å; I473-M478 HydrophobicContact CG1-SD 4.41Å; I473-M478 HydrophobicContact CG2-SD 4.47Å; S474-M478 WeakPolarHBondContact O-CA 3.25Å; S474-M478 VanDerWaalsContact O-CB 3.32Å; S474-M478 WeakPolarHBondContact O-CB 3.42Å; S474-M478 PolarHBondContact O-N 3.43Å; M478-M480 HydrophobicContact CB-CE 3.87Å; M478-M480 HydrophobicContact CB-CG 3.89Å; M478-M480 PolarHBondContact O-N 3.05Å; M478-M480 VanDerWaalsContact O-N 3.11Å; M478-M480 HydrophobicContact SD-CE 4.29Å
479K89.7Confident90.3Very high135 Ų13558.6 Ų58.659%0.58730%0.297SS*.SBendtrans53.128.1-173.7-53.8-53.7-175.1-159.30112.9V475 E476 T518V475-K479 WeakPolarHBondContact O-CA 3.23Å; V475-K479 PolarHBondContact O-N 3.37Å; E476-K479 WeakPolarHBondContact O-CE 3.35Å; E476-K479 PolarHBondContact O-NZ 2.84Å; K479-T518 WeakPolarHBondContact O-CB 3.44Å; K479-T518 PolarHBondContact O-OG1 3.31Å
480M91Very high90.7Very high57 Ų5754.4 Ų54.428%0.28127%0.27SS..EExtended strand (participates in β ladder)trans-141.4154.3175.977.4179.5100.500110I473 V475 M478 I516 G517I473-M480 HydrophobicContact CG2-CG 3.76Å; I473-M480 VanDerWaalsContact CG2-O 3.23Å; I473-M480 WeakPolarHBondContact CG2-O 3.14Å; V475-M480 WeakPolarHBondContact CA-O 3.49Å; V475-M480 PolarHBondContact N-O 3.35Å; M478-M480 HydrophobicContact CB-CE 3.87Å; M478-M480 HydrophobicContact CB-CG 3.89Å; M478-M480 PolarHBondContact O-N 3.05Å; M478-M480 VanDerWaalsContact O-N 3.11Å; M478-M480 HydrophobicContact SD-CE 4.29Å; M480-I516 HydrophobicContact CB-CG2 4.3Å; M480-I516 HydrophobicContact CG-CG2 4.25Å; M480-I516 HydrophobicContact SD-CG2 4.17Å; M480-G517 VanDerWaalsContact CA-O 3.25Å; M480-G517 WeakPolarHBondContact CA-O 3.37Å; M480-G517 WeakPolarHBondContact CB-O 3.38Å
481G92.7Very high91.4Very high0 Ų046.5 Ų46.50%024%0.24CC..EExtended strand (participates in β ladder)trans-171.5179.5179.300000111.3V466 V483 I516 G517V466-G481 CarbonylContact O-C 3.51Å; V466-G481 WeakPolarHBondContact O-CA 3.32Å; G481-V483 PolarHBondContact O-N 2.89Å; G481-I516 CarbonylContact O-C 3.49Å; G481-I516 WeakPolarHBondContact O-CA 3.11Å; G481-G517 PolarHBondContact N-O 3.44Å; G481-G517 VanDerWaalsContact N-O 3.1Å; G481-G517 PolarHBondContact O-N 2.85Å
482E95Very high92.2Very high30 Ų3050.8 Ų50.814%0.1426%0.26CS..EExtended strand (participates in β ladder)trans-62.3128.3170.7177.3177.5-151.200109.5L465 V466 V468 C484 H512 G514 D515L465-E482 CarbonylContact C-O 3.33Å; L465-E482 WeakPolarHBondContact CA-O 3.33Å; V466-E482 PolarHBondContact N-O 3.39Å; V466-E482 PolarHBondContact O-N 3.07Å; V468-E482 HydrophobicContact CG2-CB 3.74Å; E482-C484 PolarHBondContact O-N 3.33Å; E482-H512 WeakPolarHBondContact OE1-CB 3.39Å; E482-H512 IonicContact OE1-CG 3.17Å; E482-H512 IonicContact OE1-ND1 3.75Å; E482-H512 IonicContact OE2-CE1 2.69Å; E482-H512 IonicContact OE2-CG 2.73Å; E482-H512 IonicContact OE2-ND1 3.7Å; E482-H512 PolarHBondContact OE2-ND1 2.97Å; E482-G514 WeakPolarHBondContact OE1-CA 3.3Å; E482-G514 PolarHBondContact OE1-N 3.35Å; E482-D515 CarbonylContact C-O 3.57Å; E482-D515 WeakPolarHBondContact CA-O 3.17Å
483V96.3Very high93Very high0 Ų048.6 Ų48.60%024%0.237CC..EExtended strand (participates in β ladder)trans-72.4126.7170.9-174.60000107.8L465 G481 V485 T513 D515 L525 I527L465-V483 HydrophobicContact CD2-CG2 3.91Å; G481-V483 PolarHBondContact O-N 2.89Å; V483-V485 HydrophobicContact CG1-CG1 4.07Å; V483-T513 HydrophobicContact CB-CG2 4.17Å; V483-T513 HydrophobicContact CG1-CG2 4.2Å; V483-T513 VanDerWaalsContact O-CB 3.26Å; V483-T513 WeakPolarHBondContact O-CB 3.25Å; V483-T513 WeakPolarHBondContact O-CG2 3.45Å; V483-T513 PolarHBondContact O-N 2.96Å; V483-T513 PolarHBondContact O-OG1 3.24Å; V483-D515 PolarHBondContact N-O 3.44Å; V483-L525 HydrophobicContact CG1-CD2 4.3Å; V483-L525 HydrophobicContact CG2-CD1 4.05Å; V483-I527 HydrophobicContact CG2-CD1 4.23Å
484C97Very high93.6Very high0 Ų049.2 Ų49.20%024%0.238CC..EExtended strand (participates in β ladder)trans-120.5136.7170.9-66.30000108.6A463 K464 V466 E482 W510 L511 H512A463-C484 CarbonylContact C-O 3.52Å; A463-C484 VanDerWaalsContact CA-O 3.23Å; A463-C484 WeakPolarHBondContact CA-O 3.5Å; K464-C484 HydrophobicContact CG-CB 3.88Å; K464-C484 PolarHBondContact N-O 3.3Å; K464-C484 PolarHBondContact O-N 2.82Å; V466-C484 HydrophobicContact CG2-CB 4.15Å; V466-C484 VanDerWaalsContact CG2-SG 3.52Å; E482-C484 PolarHBondContact O-N 3.33Å; C484-W510 HydrophobicContact CB-CB 4.22Å; C484-W510 HydrophobicContact CB-CE3 4.18Å; C484-L511 CarbonylContact C-O 3.57Å; C484-L511 VanDerWaalsContact CA-O 3.32Å; C484-L511 WeakPolarHBondContact CA-O 3.41Å; C484-H512 PolarHBondContact SG-ND1 2.84Å
485V97.5Very high93.9Very high0 Ų050.3 Ų50.30%024%0.24CC..EExtended strand (participates in β ladder)trans-125.5153.7-174.7-62.20000112.8I441 I461 S462 A463 V483 L511 T513I441-V485 HydrophobicContact CD1-CB 4.47Å; I441-V485 HydrophobicContact CD1-CG1 3.93Å; I441-V485 HydrophobicContact CD1-CG2 3.95Å; I441-V485 HydrophobicContact CG1-CG1 4.4Å; I441-V485 HydrophobicContact CG2-CG1 3.92Å; I461-V485 HydrophobicContact CG2-CB 4.34Å; I461-V485 HydrophobicContact CG2-CG1 4.48Å; S462-V485 CarbonylContact O-C 3.5Å; S462-V485 WeakPolarHBondContact O-CA 3.26Å; A463-V485 HydrophobicContact CB-CG1 3.99Å; V483-V485 HydrophobicContact CG1-CG1 4.07Å; V485-L511 HydrophobicContact CG2-CB 4.14Å; V485-L511 HydrophobicContact CG2-CD2 4.25Å; V485-L511 PolarHBondContact N-O 3.24Å; V485-L511 WeakPolarHBondContact O-CB 3.28Å; V485-L511 PolarHBondContact O-N 3.06Å; V485-T513 HydrophobicContact CG1-CG2 4.28Å; V485-T513 HydrophobicContact CG2-CG2 4.23Å
486K96Very high94Very high97 Ų9753.8 Ų53.842%0.42226%0.264SS..EExtended strand (participates in β ladder)trans-145132.6176.6-172.6170.2-176.8173.60109.4S462 D508 W510S462-K486 PolarHBondContact N-O 3.29Å; S462-K486 PolarHBondContact O-N 2.87Å; K486-D508 PolarHBondContact NZ-O 2.84Å; K486-W510 HydrophobicContact CB-CD2 4.17Å; K486-W510 HydrophobicContact CB-CE3 3.76Å; K486-W510 HydrophobicContact CB-CH2 4.27Å; K486-W510 HydrophobicContact CB-CZ3 3.82Å
487G95.5Very high94.1Very high23 Ų2348.7 Ų48.724%0.23724%0.242CC..EExtended strand (participates in β ladder)trans178.6163.2-178.600000111.2G460 N489 C490G460-G487 WeakPolarHBondContact O-CA 3.44Å; G487-N489 PolarHBondContact O-N 3.45Å; G487-C490 WeakPolarHBondContact O-CB 3.34Å; G487-C490 PolarHBondContact O-N 2.82Å; G487-C490 VanDerWaalsContact O-N 3.12Å
488L95.1Very high94.5Very high99 Ų9947.1 Ų47.152%0.51824%0.237SC..THydrogen-bonded Turntrans-71.8-14179-64.7178.3000113.2K269 C490K269-L488 HydrophobicContact CB-CB 4.4Å; K269-L488 HydrophobicContact CD-CB 4.39Å; K269-L488 HydrophobicContact CD-CD1 4.28Å; K269-L488 HydrophobicContact CG-CB 3.89Å; L488-C490 VanDerWaalsContact C-N 3.32Å
489N94.6Very high94.7Very high3 Ų349.5 Ų49.52%0.01625%0.247CC..THydrogen-bonded Turntrans-77.9-16.2170.564.1-62.4000113.2K269 T270 S437 C438 I461 G487K269-N489 HydrophobicContact CB-CB 4.41Å; T270-N489 VanDerWaalsContact OG1-CB 3.32Å; T270-N489 WeakPolarHBondContact OG1-CB 3.46Å; S437-N489 CarbonylContact C-O 3.5Å; S437-N489 PolarHBondContact O-ND2 3.37Å; C438-N489 WeakPolarHBondContact CB-O 3.22Å; I461-N489 WeakPolarHBondContact CD1-ND2 3.5Å; I461-N489 WeakPolarHBondContact CG1-OD1 3.36Å; G487-N489 PolarHBondContact O-N 3.45Å
490C96.9Very high94.9Very high18 Ų1843.6 Ų43.612%0.12222%0.223CC..SBendtrans-72.7148.1179.2-65.10000111.7C266 G487 L488 L511C266-C490 PolarHBondContact SG-O 2.69Å; C266-C490 VanDerWaalsContact SG-O 3.39Å; G487-C490 WeakPolarHBondContact O-CB 3.34Å; G487-C490 PolarHBondContact O-N 2.82Å; G487-C490 VanDerWaalsContact O-N 3.12Å; L488-C490 VanDerWaalsContact C-N 3.32Å; C490-L511 HydrophobicContact CB-CD1 3.89Å
491T97.4Very high95.1Very high6 Ų642.1 Ų42.14%0.03722%0.218CC..  trans-62.9155.4176.5-173.60000112.3V260 K261 E436 G493 L504 I505 L511V260-T491 HydrophobicContact CG1-CG2 4.12Å; K261-T491 WeakPolarHBondContact O-CB 3.37Å; K261-T491 PolarHBondContact O-OG1 3.46Å; E436-T491 HydrophobicContact CB-CG2 3.67Å; E436-T491 HydrophobicContact CG-CG2 4.21Å; E436-T491 WeakPolarHBondContact O-CB 3.27Å; E436-T491 VanDerWaalsContact O-CG2 3.27Å; E436-T491 WeakPolarHBondContact O-CG2 3.47Å; E436-T491 PolarHBondContact O-N 3.44Å; T491-G493 PolarHBondContact OG1-N 3.1Å; T491-G493 VanDerWaalsContact OG1-N 3.11Å; T491-G493 PolarHBondContact OG1-O 2.94Å; T491-L504 HydrophobicContact CG2-CD2 3.78Å; T491-I505 WeakPolarHBondContact O-CD1 3.36Å; T491-L511 HydrophobicContact CG2-CD1 3.85Å
492Q94.4Very high95.2Very high99 Ų9949.3 Ų49.346%0.46325%0.249SC..  trans-87.212167.6-61.3179-8.800112.9K261K261-Q492 VanDerWaalsContact CE-O 3.29Å; K261-Q492 WeakPolarHBondContact CE-O 3.41Å; K261-Q492 PolarHBondContact NZ-O 3.36Å
493G96.4Very high95.1Very high0 Ų053.6 Ų53.60%027%0.269CS..  trans113.3-164.4178.600000113.8K261 T491K261-G493 WeakPolarHBondContact CB-O 3.23Å; K261-G493 VanDerWaalsContact CE-C 3.5Å; K261-G493 WeakPolarHBondContact CE-O 3.34Å; K261-G493 WeakPolarHBondContact CG-O 3.25Å; K261-G493 PolarHBondContact N-O 3.45Å; T491-G493 PolarHBondContact OG1-N 3.1Å; T491-G493 VanDerWaalsContact OG1-N 3.11Å; T491-G493 PolarHBondContact OG1-O 2.94Å
494Y96.1Very high95Very high23 Ų2354.2 Ų54.29%0.0927%0.272CS..BIsolated β-bridgetrans-92.7147.6180-57-72.1000111.7K258 G259 V260 E436 S500 T501 L504K258-Y494 HydrophobicContact CB-CD1 3.59Å; K258-Y494 HydrophobicContact CB-CE1 3.73Å; K258-Y494 HydrophobicContact CB-CG 4.21Å; K258-Y494 HydrophobicContact CD-CD1 4.32Å; K258-Y494 HydrophobicContact CD-CD2 4.39Å; K258-Y494 HydrophobicContact CD-CE1 4.04Å; K258-Y494 HydrophobicContact CD-CE2 4.14Å; K258-Y494 HydrophobicContact CD-CG 4.46Å; G259-Y494 CarbonylContact O-C 3.57Å; G259-Y494 VanDerWaalsContact O-CA 3.27Å; G259-Y494 WeakPolarHBondContact O-CA 3.38Å; V260-Y494 HydrophobicContact CG2-CD1 4.11Å; V260-Y494 HydrophobicContact CG2-CE1 3.91Å; E436-Y494 HydrophobicContact CG-CE1 4.09Å; E436-Y494 PolarHBondContact OE1-OH 3.04Å; Y494-S500 VanDerWaalsContact CD2-CB 3.43Å; Y494-S500 WeakPolarHBondContact CE2-O 3.37Å; Y494-T501 PolarHBondContact N-OG1 2.81Å; Y494-L504 HydrophobicContact CD2-CD2 4.36Å; Y494-L504 HydrophobicContact CE1-CD2 4.48Å; Y494-L504 HydrophobicContact CE2-CB 3.88Å; Y494-L504 HydrophobicContact CE2-CD2 3.72Å; Y494-L504 HydrophobicContact CE2-CG 4.31Å
495Y95.1Very high95Very high43 Ų4356.1 Ų56.117%0.16928%0.282CS..THydrogen-bonded Turntrans-74.9125.7176.6-173.2-96.4000109.8F124 Q167 T168 L244 V247 G259 K261 D497F124-Y495 HydrophobicContact CE1-CE2 4.46Å; F124-Y495 HydrophobicContact CE2-CE2 4.24Å; F124-Y495 AromaticContact CE2-CZ 3.8Å; F124-Y495 WeakPolarHBondContact CE2-OH 3.24Å; F124-Y495 HydrophobicContact CZ-CD2 4.43Å; F124-Y495 HydrophobicContact CZ-CE1 4.4Å; F124-Y495 AromaticContact CZ-CE2 3.57Å; F124-Y495 HydrophobicContact CZ-CE2 3.57Å; F124-Y495 AromaticContact CZ-CZ 3.55Å; F124-Y495 WeakPolarHBondContact CZ-OH 3.28Å; Q167-Y495 WeakPolarHBondContact O-CE1 3.3Å; T168-Y495 HydrophobicContact CG2-CD1 4.41Å; T168-Y495 HydrophobicContact CG2-CE1 4.25Å; L244-Y495 HydrophobicContact CD1-CD2 4.46Å; V247-Y495 HydrophobicContact CG1-CG 4.27Å; V247-Y495 HydrophobicContact CG2-CD2 4.24Å; V247-Y495 HydrophobicContact CG2-CG 4.26Å; G259-Y495 PolarHBondContact O-N 2.92Å; K261-Y495 HydrophobicContact CG-CD2 4.49Å; Y495-D497 PolarHBondContact O-N 2.8Å
496S92.3Very high94.9Very high82 Ų8257.9 Ų57.957%0.57329%0.291SS*.THydrogen-bonded Turntrans54.729.2-177.8-56.40000115.3
497D92.7Very high94.9Very high41 Ų4162.7 Ų62.722%0.21931%0.312CS..BIsolated β-bridgetrans-144.377.8178.4-174.4-9000110.7Y495 E499 S500 T501Y495-D497 PolarHBondContact O-N 2.8Å; D497-E499 VanDerWaalsContact C-N 3.32Å; D497-E499 PolarHBondContact O-N 3.49Å; D497-S500 VanDerWaalsContact OD1-CB 3.22Å; D497-S500 WeakPolarHBondContact OD1-CB 3.41Å; D497-S500 PolarHBondContact OD1-N 3.41Å; D497-S500 PolarHBondContact OD1-OG 3.35Å; D497-S500 VanDerWaalsContact OD1-OG 3.07Å; D497-S500 WeakPolarHBondContact OD2-CB 3.33Å; D497-S500 PolarHBondContact OD2-OG 2.88Å; D497-T501 WeakPolarHBondContact O-CB 3.47Å; D497-T501 PolarHBondContact O-N 2.83Å; D497-T501 VanDerWaalsContact O-N 3.13Å; D497-T501 PolarHBondContact O-OG1 3.45Å
498E94.6Very high94.8Very high144 Ų14465.8 Ų65.867%0.67332%0.324SS*.Hα-helixtrans-66.2-32-179.7-71.3-170.8-17000113.1T501 K502E498-T501 WeakPolarHBondContact O-CB 3.45Å; E498-T501 PolarHBondContact O-N 2.85Å; E498-K502 WeakPolarHBondContact O-CG 3.26Å; E498-K502 PolarHBondContact O-N 2.8Å; E498-K502 IonicContact OE2-NZ 3.81Å
499E93.5Very high94.8Very high139 Ų13962.5 Ų62.565%0.6531%0.314SS*.Hα-helixtrans-67.2-52.4-178.7-170.3-170.415700110.4D497 T501 K502 Q503D497-E499 VanDerWaalsContact C-N 3.32Å; D497-E499 PolarHBondContact O-N 3.49Å; E499-T501 PolarHBondContact O-N 2.82Å; E499-K502 PolarHBondContact O-N 3.35Å; E499-Q503 WeakPolarHBondContact O-CG 3.16Å; E499-Q503 PolarHBondContact O-N 3.29Å; E499-Q503 VanDerWaalsContact O-N 3.13Å
500S92.1Very high94.8Very high12 Ų1263.8 Ų63.88%0.08432%0.318CS..Hα-helixtrans-62.1-30.2174.5-64.10000111.8K258 Y494 D497 Q503 L504K258-S500 WeakPolarHBondContact CE-OG 3.31Å; K258-S500 PolarHBondContact NZ-OG 3.35Å; Y494-S500 VanDerWaalsContact CD2-CB 3.43Å; Y494-S500 WeakPolarHBondContact CE2-O 3.37Å; D497-S500 VanDerWaalsContact OD1-CB 3.22Å; D497-S500 WeakPolarHBondContact OD1-CB 3.41Å; D497-S500 PolarHBondContact OD1-N 3.41Å; D497-S500 PolarHBondContact OD1-OG 3.35Å; D497-S500 VanDerWaalsContact OD1-OG 3.07Å; D497-S500 WeakPolarHBondContact OD2-CB 3.33Å; D497-S500 PolarHBondContact OD2-OG 2.88Å; S500-Q503 PolarHBondContact O-N 2.75Å; S500-L504 WeakPolarHBondContact O-CB 3.32Å; S500-L504 PolarHBondContact O-N 3.31Å
501T95.2Very high94.8Very high26 Ų2663.1 Ų63.116%0.1631%0.313CS..Hα-helixtrans-64.9-44.9176.2-63.60000111.5Y494 D497 E498 E499 Q503 L504 I505Y494-T501 PolarHBondContact N-OG1 2.81Å; D497-T501 WeakPolarHBondContact O-CB 3.47Å; D497-T501 PolarHBondContact O-N 2.83Å; D497-T501 VanDerWaalsContact O-N 3.13Å; D497-T501 PolarHBondContact O-OG1 3.45Å; E498-T501 WeakPolarHBondContact O-CB 3.45Å; E498-T501 PolarHBondContact O-N 2.85Å; E499-T501 PolarHBondContact O-N 2.82Å; T501-Q503 VanDerWaalsContact C-N 3.25Å; T501-Q503 PolarHBondContact O-N 3.05Å; T501-L504 PolarHBondContact O-N 3.19Å; T501-L504 VanDerWaalsContact O-N 3.17Å; T501-I505 PolarHBondContact O-N 3.1Å
502K95.7Very high94.8Very high150 Ų15065.1 Ų65.165%0.65232%0.322SS*.Hα-helixtrans-67.1-25.6176.6-70.6167.6-173.8163.60112.9E498 E499E498-K502 WeakPolarHBondContact O-CG 3.26Å; E498-K502 PolarHBondContact O-N 2.8Å; E498-K502 IonicContact OE2-NZ 3.81Å; E499-K502 PolarHBondContact O-N 3.35Å
503Q92.5Very high94.8Very high121 Ų12161.2 Ų61.257%0.56531%0.305SS*.Hα-helixtrans-77.9-33.1172.1-67.1174.410.600112.4E499 S500 T501E499-Q503 WeakPolarHBondContact O-CG 3.16Å; E499-Q503 PolarHBondContact O-N 3.29Å; E499-Q503 VanDerWaalsContact O-N 3.13Å; S500-Q503 PolarHBondContact O-N 2.75Å; T501-Q503 VanDerWaalsContact C-N 3.25Å; T501-Q503 PolarHBondContact O-N 3.05Å
504L94.6Very high94.5Very high12 Ų1262.5 Ų62.56%0.06332%0.319CS..Hα-helixtrans-76.5-42.6-179.9175.968.2000112E436 T491 Y494 S500 T501 L511 H512E436-L504 HydrophobicContact CB-CD1 4.41Å; E436-L504 HydrophobicContact CB-CD2 4.17Å; E436-L504 HydrophobicContact CG-CD1 4.21Å; E436-L504 HydrophobicContact CG-CD2 3.83Å; T491-L504 HydrophobicContact CG2-CD2 3.78Å; Y494-L504 HydrophobicContact CD2-CD2 4.36Å; Y494-L504 HydrophobicContact CE1-CD2 4.48Å; Y494-L504 HydrophobicContact CE2-CB 3.88Å; Y494-L504 HydrophobicContact CE2-CD2 3.72Å; Y494-L504 HydrophobicContact CE2-CG 4.31Å; S500-L504 WeakPolarHBondContact O-CB 3.32Å; S500-L504 PolarHBondContact O-N 3.31Å; T501-L504 PolarHBondContact O-N 3.19Å; T501-L504 VanDerWaalsContact O-N 3.17Å; L504-L511 HydrophobicContact CD1-CD2 3.75Å; L504-L511 HydrophobicContact CD1-CG 3.87Å; L504-L511 HydrophobicContact CD2-CD1 4.49Å; L504-L511 HydrophobicContact CG-CD1 4.49Å; L504-L511 HydrophobicContact CG-CD2 4.43Å; L504-L511 HydrophobicContact CG-CG 3.99Å; L504-L511 CarbonylContact O-C 3.51Å; L504-L511 WeakPolarHBondContact O-CA 3.39Å; L504-H512 PolarHBondContact O-N 2.94Å
505I96.7Very high94.4Very high41 Ų4162 Ų6221%0.2132%0.317CS..BIsolated β-bridgetrans-117.5117.1-173.3-52.2176.4000108.7T491 T501 W510T491-I505 WeakPolarHBondContact O-CD1 3.36Å; T501-I505 PolarHBondContact O-N 3.1Å; I505-W510 CarbonylContact C-O 3.51Å; I505-W510 WeakPolarHBondContact CA-O 3.15Å
506D95.6Very high94.2Very high37 Ų3760 Ų6020%0.19831%0.309CS..  trans-71.1170177.477.413.3000112.3K464 D508 G509 W510 H512K464-D506 IonicContact NZ-OD2 2.69Å; D506-D508 PolarHBondContact O-N 2.67Å; D506-D508 VanDerWaalsContact O-N 3.11Å; D506-D508 VanDerWaalsContact OD1-C 3.28Å; D506-D508 VanDerWaalsContact OD1-CA 3.32Å; D506-D508 WeakPolarHBondContact OD1-CA 3.38Å; D506-D508 WeakPolarHBondContact OD1-CB 3.47Å; D506-D508 PolarHBondContact OD1-N 3.26Å; D506-G509 PolarHBondContact O-N 3.37Å; D506-G509 PolarHBondContact OD1-N 2.94Å; D506-W510 PolarHBondContact N-O 2.83Å; D506-W510 PolarHBondContact OD1-N 3.47Å; D506-W510 WeakPolarHBondContact OD2-CB 3.29Å; D506-H512 IonicContact OD2-NE2 3.1Å
507K95.5Very high94.3Very high197 Ų19756 Ų5686%0.85728%0.282SS*.THydrogen-bonded Turntrans-58.4-22.6178.462.9177.2-176.5175.20114.1G509K507-G509 VanDerWaalsContact C-N 3.33Å
508D93.7Very high94.3Very high89 Ų8955.6 Ų55.648%0.47628%0.281SS..THydrogen-bonded Turntrans-94.33-179.4-60.4-39.9000111.1K486 D506K486-D508 PolarHBondContact NZ-O 2.84Å; D506-D508 PolarHBondContact O-N 2.67Å; D506-D508 VanDerWaalsContact O-N 3.11Å; D506-D508 VanDerWaalsContact OD1-C 3.28Å; D506-D508 VanDerWaalsContact OD1-CA 3.32Å; D506-D508 WeakPolarHBondContact OD1-CA 3.38Å; D506-D508 WeakPolarHBondContact OD1-CB 3.47Å; D506-D508 PolarHBondContact OD1-N 3.26Å
509G94.3Very high94.3Very high30 Ų3050.9 Ų50.931%0.30926%0.257SS..SBendtrans79.819.4178.100000114.2D506 K507D506-G509 PolarHBondContact O-N 3.37Å; D506-G509 PolarHBondContact OD1-N 2.94Å; K507-G509 VanDerWaalsContact C-N 3.33Å
510W96Very high94.3Very high30 Ų3045.9 Ų45.911%0.11424%0.236CC..  trans-85.5132.3172.6-65.188.7000110.8T46 K464 C484 K486 I505 D506T46-W510 HydrophobicContact CG2-CH2 3.45Å; T46-W510 VanDerWaalsContact CG2-CH2 3.45Å; T46-W510 HydrophobicContact CG2-CZ2 3.93Å; T46-W510 HydrophobicContact CG2-CZ3 4.47Å; K464-W510 HydrophobicContact CB-CH2 4.46Å; K464-W510 HydrophobicContact CB-CZ3 4.41Å; K464-W510 HydrophobicContact CD-CD2 3.86Å; K464-W510 HydrophobicContact CD-CE3 4.14Å; K464-W510 HydrophobicContact CD-CG 4.37Å; K464-W510 HydrophobicContact CD-CH2 4.33Å; K464-W510 HydrophobicContact CD-CZ2 4.05Å; K464-W510 HydrophobicContact CD-CZ3 4.36Å; K464-W510 HydrophobicContact CG-CD2 4.23Å; K464-W510 HydrophobicContact CG-CE3 3.98Å; K464-W510 HydrophobicContact CG-CH2 4.31Å; K464-W510 HydrophobicContact CG-CZ3 4.02Å; C484-W510 HydrophobicContact CB-CB 4.22Å; C484-W510 HydrophobicContact CB-CE3 4.18Å; K486-W510 HydrophobicContact CB-CD2 4.17Å; K486-W510 HydrophobicContact CB-CE3 3.76Å; K486-W510 HydrophobicContact CB-CH2 4.27Å; K486-W510 HydrophobicContact CB-CZ3 3.82Å; I505-W510 CarbonylContact C-O 3.51Å; I505-W510 WeakPolarHBondContact CA-O 3.15Å; D506-W510 PolarHBondContact N-O 2.83Å; D506-W510 PolarHBondContact OD1-N 3.47Å; D506-W510 WeakPolarHBondContact OD2-CB 3.29Å
511L97Very high94.3Very high3 Ų355.2 Ų55.22%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-89.4115.8175.6-167.2158.3000109.1F434 E436 C484 V485 C490 T491 L504 T513F434-L511 HydrophobicContact CE2-CD2 3.57Å; F434-L511 HydrophobicContact CZ-CD2 3.3Å; E436-L511 HydrophobicContact CB-CD1 4.05Å; E436-L511 HydrophobicContact CB-CD2 4.34Å; E436-L511 WeakPolarHBondContact O-CD1 3.43Å; C484-L511 CarbonylContact C-O 3.57Å; C484-L511 VanDerWaalsContact CA-O 3.32Å; C484-L511 WeakPolarHBondContact CA-O 3.41Å; V485-L511 HydrophobicContact CG2-CB 4.14Å; V485-L511 HydrophobicContact CG2-CD2 4.25Å; V485-L511 PolarHBondContact N-O 3.24Å; V485-L511 WeakPolarHBondContact O-CB 3.28Å; V485-L511 PolarHBondContact O-N 3.06Å; C490-L511 HydrophobicContact CB-CD1 3.89Å; T491-L511 HydrophobicContact CG2-CD1 3.85Å; L504-L511 HydrophobicContact CD1-CD2 3.75Å; L504-L511 HydrophobicContact CD1-CG 3.87Å; L504-L511 HydrophobicContact CD2-CD1 4.49Å; L504-L511 HydrophobicContact CG-CD1 4.49Å; L504-L511 HydrophobicContact CG-CD2 4.43Å; L504-L511 HydrophobicContact CG-CG 3.99Å; L504-L511 CarbonylContact O-C 3.51Å; L504-L511 WeakPolarHBondContact O-CA 3.39Å; L511-T513 PolarHBondContact O-N 3.11Å
512H95.9Very high94.2Very high49 Ų4957.5 Ų57.523%0.22728%0.284CS..EExtended strand (participates in β ladder)trans-75.5115.8177-76.6-95.3000110E482 C484 L504 D506 G514E482-H512 WeakPolarHBondContact OE1-CB 3.39Å; E482-H512 IonicContact OE1-CG 3.17Å; E482-H512 IonicContact OE1-ND1 3.75Å; E482-H512 IonicContact OE2-CE1 2.69Å; E482-H512 IonicContact OE2-CG 2.73Å; E482-H512 IonicContact OE2-ND1 3.7Å; E482-H512 PolarHBondContact OE2-ND1 2.97Å; C484-H512 PolarHBondContact SG-ND1 2.84Å; L504-H512 PolarHBondContact O-N 2.94Å; D506-H512 IonicContact OD2-NE2 3.1Å; H512-G514 VanDerWaalsContact C-N 3.35Å
513T94.5Very high94Very high16 Ų1650.4 Ų50.410%0.09825%0.253CS..EExtended strand (participates in β ladder)trans-78.9-22.4-174.668.50000112.4Y432 F434 V483 V485 L511 D515Y432-T513 WeakPolarHBondContact OH-CB 3.29Å; F434-T513 HydrophobicContact CE1-CG2 3.61Å; F434-T513 HydrophobicContact CZ-CG2 3.63Å; V483-T513 HydrophobicContact CB-CG2 4.17Å; V483-T513 HydrophobicContact CG1-CG2 4.2Å; V483-T513 VanDerWaalsContact O-CB 3.26Å; V483-T513 WeakPolarHBondContact O-CB 3.25Å; V483-T513 WeakPolarHBondContact O-CG2 3.45Å; V483-T513 PolarHBondContact O-N 2.96Å; V483-T513 PolarHBondContact O-OG1 3.24Å; V485-T513 HydrophobicContact CG1-CG2 4.28Å; V485-T513 HydrophobicContact CG2-CG2 4.23Å; L511-T513 PolarHBondContact O-N 3.11Å; T513-D515 PolarHBondContact O-N 3.39Å; T513-D515 PolarHBondContact OG1-N 3.03Å; T513-D515 VanDerWaalsContact OG1-N 3.08Å; T513-D515 PolarHBondContact OG1-O 2.97Å
514G91.7Very high94.1Very high28 Ų2844.6 Ų44.629%0.28923%0.226SC..EExtended strand (participates in β ladder)trans67.612.4-168.400000114E482 H512 C531E482-G514 WeakPolarHBondContact OE1-CA 3.3Å; E482-G514 PolarHBondContact OE1-N 3.35Å; H512-G514 VanDerWaalsContact C-N 3.35Å; G514-C531 VanDerWaalsContact C-SG 3.53Å; G514-C531 WeakPolarHBondContact O-CB 3.47Å; G514-C531 PolarHBondContact O-N 3.39Å; G514-C531 PolarHBondContact O-SG 2.81Å
515D92.6Very high94.2Very high12 Ų1244 Ų446%0.06422%0.223CC..EExtended strand (participates in β ladder)trans-114.6134.8-179.7-64.9-28.7000110.5Y432 E482 V483 T513 R530Y432-D515 WeakPolarHBondContact CE2-OD2 3.22Å; Y432-D515 PolarHBondContact OH-OD2 3.47Å; Y432-D515 VanDerWaalsContact OH-OD2 3.06Å; E482-D515 CarbonylContact C-O 3.57Å; E482-D515 WeakPolarHBondContact CA-O 3.17Å; V483-D515 PolarHBondContact N-O 3.44Å; T513-D515 PolarHBondContact O-N 3.39Å; T513-D515 PolarHBondContact OG1-N 3.03Å; T513-D515 VanDerWaalsContact OG1-N 3.08Å; T513-D515 PolarHBondContact OG1-O 2.97Å; D515-R530 WeakPolarHBondContact OD1-CG 3.29Å; D515-R530 IonicContact OD1-NE 3.59Å; D515-R530 PolarHBondContact OD1-NE 2.63Å
516I91.7Very high94Very high0 Ų046.4 Ų46.40%023%0.232CC..EExtended strand (participates in β ladder)trans-83.9131.6175.7-58.9-61.9000109.1V468 I473 M480 G481 V528 D529 C531 I534V468-I516 HydrophobicContact CG2-CD1 3.69Å; I473-I516 HydrophobicContact CD1-CD1 3.81Å; I473-I516 HydrophobicContact CD1-CG1 4.14Å; M480-I516 HydrophobicContact CB-CG2 4.3Å; M480-I516 HydrophobicContact CG-CG2 4.25Å; M480-I516 HydrophobicContact SD-CG2 4.17Å; G481-I516 CarbonylContact O-C 3.49Å; G481-I516 WeakPolarHBondContact O-CA 3.11Å; I516-V528 HydrophobicContact CB-CB 4.22Å; I516-V528 HydrophobicContact CG2-CB 3.97Å; I516-V528 HydrophobicContact CG2-CG2 4.13Å; I516-V528 PolarHBondContact O-N 3.4Å; I516-D529 PolarHBondContact N-O 3.03Å; I516-C531 WeakPolarHBondContact CD1-SG 3.49Å; I516-I534 HydrophobicContact CB-CD1 4.34Å; I516-I534 HydrophobicContact CG1-CD1 3.88Å
517G94.1Very high93.9Very high0 Ų046.3 Ų46.30%023%0.231CC..EExtended strand (participates in β ladder)trans-135.5167.7177.400000113.5M480 G481 K526M480-G517 VanDerWaalsContact CA-O 3.25Å; M480-G517 WeakPolarHBondContact CA-O 3.37Å; M480-G517 WeakPolarHBondContact CB-O 3.38Å; G481-G517 PolarHBondContact N-O 3.44Å; G481-G517 VanDerWaalsContact N-O 3.1Å; G481-G517 PolarHBondContact O-N 2.85Å; G517-K526 CarbonylContact C-O 3.4Å; G517-K526 WeakPolarHBondContact CA-O 3.32Å
518T93.4Very high93.5Very high32 Ų3239.5 Ų39.520%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-143.2158.2172.7-174.30000109.4K479 K526 V528K479-T518 WeakPolarHBondContact O-CB 3.44Å; K479-T518 PolarHBondContact O-OG1 3.31Å; T518-K526 HydrophobicContact CG2-CB 3.9Å; T518-K526 HydrophobicContact CG2-CD 4.01Å; T518-K526 HydrophobicContact CG2-CG 4.08Å; T518-K526 PolarHBondContact N-O 2.9Å; T518-K526 PolarHBondContact O-N 3.39Å; T518-V528 HydrophobicContact CG2-CG2 4.41Å
519W93.7Very high92.8Very high44 Ų4435.4 Ų35.417%0.16718%0.184CC..EExtended strand (participates in β ladder)trans-94135.7175.9-62113.9000110.3R47 L457 A463 L465 S524 L525R47-W519 HydrophobicContact CB-CH2 4.18Å; R47-W519 HydrophobicContact CB-CZ2 4.04Å; R47-W519 HydrophobicContact CG-CZ2 4.08Å; L457-W519 HydrophobicContact CD1-CH2 3.95Å; L457-W519 HydrophobicContact CD2-CH2 4.14Å; L457-W519 HydrophobicContact CG-CH2 4.12Å; L457-W519 HydrophobicContact CG-CZ3 4.36Å; A463-W519 HydrophobicContact CB-CH2 4.02Å; A463-W519 HydrophobicContact CB-CZ2 4.14Å; L465-W519 HydrophobicContact CD1-CG 4.46Å; W519-S524 WeakPolarHBondContact CA-O 3.21Å; W519-L525 HydrophobicContact CE3-CB 4.25Å; W519-L525 HydrophobicContact CE3-CD1 4.3Å; W519-L525 HydrophobicContact CH2-CB 4.35Å; W519-L525 HydrophobicContact CH2-CD1 4.11Å; W519-L525 HydrophobicContact CZ2-CD1 4.46Å; W519-L525 HydrophobicContact CZ3-CB 3.72Å; W519-L525 HydrophobicContact CZ3-CD1 4.05Å; W519-L525 HydrophobicContact CZ3-CG 4.45Å
520T93.1Very high92.1Very high34 Ų3439 Ų3921%0.20919%0.188CC..  trans-71.7170.3167.375.30000110.4H453 E522 G523 S524 K526H453-T520 HydrophobicContact CB-CG2 3.93Å; T520-E522 WeakPolarHBondContact CB-OE2 3.5Å; T520-E522 PolarHBondContact O-N 3.5Å; T520-E522 PolarHBondContact OG1-N 3.19Å; T520-E522 PolarHBondContact OG1-OE2 3.35Å; T520-G523 PolarHBondContact O-N 3.36Å; T520-G523 PolarHBondContact OG1-N 3.21Å; T520-S524 PolarHBondContact N-O 3.26Å; T520-S524 WeakPolarHBondContact OG1-CB 3.42Å; T520-S524 PolarHBondContact OG1-N 3.38Å; T520-K526 HydrophobicContact CG2-CB 4.48Å
521K92.2Very high91.2Very high209 Ų20938 Ų3891%0.90919%0.185SC*.THydrogen-bonded Turntrans-62-33.8177.5-66.5-176.4178.7-177.20111.7G523K521-G523 PolarHBondContact O-N 3.17Å
522E93.1Very high90.2Very high74 Ų7445.3 Ų45.335%0.34622%0.217SC..THydrogen-bonded Turntrans-78.6-4.9177.7-54.570.7-152.800111.7E35 Q36 T520E35-E522 CarbonylContact C-O 3.52Å; E35-E522 WeakPolarHBondContact CA-O 3.29Å; Q36-E522 PolarHBondContact N-O 3.21Å; T520-E522 WeakPolarHBondContact CB-OE2 3.5Å; T520-E522 PolarHBondContact O-N 3.5Å; T520-E522 PolarHBondContact OG1-N 3.19Å; T520-E522 PolarHBondContact OG1-OE2 3.35Å
523G92.9Very high89.1Confident0 Ų044.2 Ų44.20%021%0.213CC..SBendtrans85.212.8-178.800000114.7S37 T520 K521S37-G523 WeakPolarHBondContact CB-O 3.23Å; S37-G523 WeakPolarHBondContact OG-CA 3.12Å; S37-G523 PolarHBondContact OG-O 3.37Å; T520-G523 PolarHBondContact O-N 3.36Å; T520-G523 PolarHBondContact OG1-N 3.21Å; K521-G523 PolarHBondContact O-N 3.17Å
524S94.4Very high88.2Confident0 Ų044.5 Ų44.50%021%0.213CC..  trans-76.4147.3172.5-51.20000110.5Q36 G455 W519 T520Q36-S524 PolarHBondContact NE2-OG 3.41Å; Q36-S524 PolarHBondContact OE1-OG 3.44Å; G455-S524 CarbonylContact O-C 3.46Å; G455-S524 WeakPolarHBondContact O-CA 3.4Å; W519-S524 WeakPolarHBondContact CA-O 3.21Å; T520-S524 PolarHBondContact N-O 3.26Å; T520-S524 WeakPolarHBondContact OG1-CB 3.42Å; T520-S524 PolarHBondContact OG1-N 3.38Å
525L95.7Very high87.7Confident0 Ų044 Ų440%020%0.203CC..EExtended strand (participates in β ladder)trans-78134.6173.9-177.761.6000109.8Y432 H453 V454 G455 V483 W519 I527Y432-L525 HydrophobicContact CD1-CD2 3.86Å; Y432-L525 HydrophobicContact CE1-CD2 4.05Å; H453-L525 WeakPolarHBondContact CB-O 3.42Å; V454-L525 HydrophobicContact CG2-CB 3.94Å; V454-L525 HydrophobicContact CG2-CD2 4.11Å; V454-L525 HydrophobicContact CG2-CG 3.87Å; V454-L525 WeakPolarHBondContact CG2-O 3.35Å; V454-L525 PolarHBondContact N-O 3.15Å; G455-L525 PolarHBondContact N-O 3.28Å; G455-L525 PolarHBondContact O-N 2.88Å; V483-L525 HydrophobicContact CG1-CD2 4.3Å; V483-L525 HydrophobicContact CG2-CD1 4.05Å; W519-L525 HydrophobicContact CE3-CB 4.25Å; W519-L525 HydrophobicContact CE3-CD1 4.3Å; W519-L525 HydrophobicContact CH2-CB 4.35Å; W519-L525 HydrophobicContact CH2-CD1 4.11Å; W519-L525 HydrophobicContact CZ2-CD1 4.46Å; W519-L525 HydrophobicContact CZ3-CB 3.72Å; W519-L525 HydrophobicContact CZ3-CD1 4.05Å; W519-L525 HydrophobicContact CZ3-CG 4.45Å; L525-I527 HydrophobicContact CD2-CD1 3.94Å; L525-I527 HydrophobicContact CG-CD1 4.09Å
526K93.9Very high87Confident91 Ų9148 Ų4840%0.39622%0.221SC..EExtended strand (participates in β ladder)trans-121.2121.9169.3171.9175.3-177.5-178.80109.5G452 H453 G517 T518 T520G452-K526 WeakPolarHBondContact O-CD 3.18Å; G452-K526 VanDerWaalsContact O-CE 3.22Å; G452-K526 WeakPolarHBondContact O-CE 3.37Å; G452-K526 VanDerWaalsContact O-CG 3.25Å; G452-K526 WeakPolarHBondContact O-CG 3.49Å; H453-K526 HydrophobicContact CB-CB 3.96Å; G517-K526 CarbonylContact C-O 3.4Å; G517-K526 WeakPolarHBondContact CA-O 3.32Å; T518-K526 HydrophobicContact CG2-CB 3.9Å; T518-K526 HydrophobicContact CG2-CD 4.01Å; T518-K526 HydrophobicContact CG2-CG 4.08Å; T518-K526 PolarHBondContact N-O 2.9Å; T518-K526 PolarHBondContact O-N 3.39Å; T520-K526 HydrophobicContact CG2-CB 4.48Å
527I92.9Very high86.7Confident35 Ų3548.1 Ų48.118%0.17922%0.221CC..EExtended strand (participates in β ladder)trans-81.6135.2172-54.9-55.6000109.3Y432 V454 V483 L525Y432-I527 HydrophobicContact CD1-CD1 3.99Å; Y432-I527 HydrophobicContact CD1-CG1 4.34Å; Y432-I527 HydrophobicContact CD2-CD1 3.94Å; Y432-I527 HydrophobicContact CD2-CG1 3.65Å; Y432-I527 HydrophobicContact CE1-CD1 3.81Å; Y432-I527 HydrophobicContact CE2-CD1 3.76Å; Y432-I527 HydrophobicContact CE2-CG1 3.88Å; Y432-I527 HydrophobicContact CG-CD1 4.05Å; Y432-I527 HydrophobicContact CG-CG1 3.89Å; V454-I527 HydrophobicContact CG1-CG1 4.08Å; V454-I527 HydrophobicContact CG2-CD1 4.36Å; V454-I527 HydrophobicContact CG2-CG1 3.81Å; V483-I527 HydrophobicContact CG2-CD1 4.23Å; L525-I527 HydrophobicContact CD2-CD1 3.94Å; L525-I527 HydrophobicContact CG-CD1 4.09Å
528V86.3Confident86.2Confident53 Ų5351.3 Ų51.332%0.32124%0.243SC..EExtended strand (participates in β ladder)trans-93-60.6177.2179.80000109.5I516 T518I516-V528 HydrophobicContact CB-CB 4.22Å; I516-V528 HydrophobicContact CG2-CB 3.97Å; I516-V528 HydrophobicContact CG2-CG2 4.13Å; I516-V528 PolarHBondContact O-N 3.4Å; T518-V528 HydrophobicContact CG2-CG2 4.41Å
529D80.3Confident85.7Confident3 Ų353.9 Ų53.92%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-174-178.7174.5-149.7-43.6000109I516 N533 I534 A544 P545 E546I516-D529 PolarHBondContact N-O 3.03Å; D529-N533 WeakPolarHBondContact OD1-CB 3.34Å; D529-I534 HydrophobicContact CB-CD1 3.91Å; D529-I534 HydrophobicContact CB-CG1 3.59Å; D529-A544 HydrophobicContact CB-CB 3.72Å; D529-A544 WeakPolarHBondContact OD2-CA 3.15Å; D529-A544 WeakPolarHBondContact OD2-CB 3.27Å; D529-P545 VanDerWaalsContact OD2-CD 3.25Å; D529-P545 WeakPolarHBondContact OD2-CD 3.33Å; D529-E546 PolarHBondContact OD2-N 3.19Å
530R79.6Confident84.7Confident105 Ų10553.1 Ų53.140%0.39626%0.259SS..EExtended strand (participates in β ladder)trans-76.8140.3170.9-50.5-157.9139.4168.8-4.5111.7D515 K532 N533 I534D515-R530 WeakPolarHBondContact OD1-CG 3.29Å; D515-R530 IonicContact OD1-NE 3.59Å; D515-R530 PolarHBondContact OD1-NE 2.63Å; R530-K532 PolarHBondContact O-N 2.92Å; R530-K532 VanDerWaalsContact O-N 3.1Å; R530-N533 HydrophobicContact CB-CB 3.98Å; R530-N533 WeakPolarHBondContact CG-ND2 3.44Å; R530-N533 PolarHBondContact O-N 2.89Å; R530-I534 WeakPolarHBondContact O-CG1 3.23Å; R530-I534 PolarHBondContact O-N 3.33Å; R530-I534 VanDerWaalsContact O-N 3.14Å
531C76Confident84Confident9 Ų955.5 Ų55.56%0.06127%0.268CS..THydrogen-bonded Turntrans-50.4-39.5173.4-63.30000112.2M471 G514 I516M471-C531 HydrophobicContact SD-CB 4.22Å; G514-C531 VanDerWaalsContact C-SG 3.53Å; G514-C531 WeakPolarHBondContact O-CB 3.47Å; G514-C531 PolarHBondContact O-N 3.39Å; G514-C531 PolarHBondContact O-SG 2.81Å; I516-C531 WeakPolarHBondContact CD1-SG 3.49Å
532K75.2Confident83.4Confident157 Ų15749.2 Ų49.268%0.68324%0.239SC*.THydrogen-bonded Turntrans-79.4-18.4-179.5-66.6-178.4177.3173.70114.6S253 R530S253-K532 PolarHBondContact OG-NZ 2.85Å; R530-K532 PolarHBondContact O-N 2.92Å; R530-K532 VanDerWaalsContact O-N 3.1Å
533N74Confident83Confident26 Ų2645.7 Ų45.714%0.13922%0.222CC..THydrogen-bonded Turntrans-93.3-31.9-176.9-73.1-7.1000112.2D529 R530 F535 P545 E546 R679D529-N533 WeakPolarHBondContact OD1-CB 3.34Å; R530-N533 HydrophobicContact CB-CB 3.98Å; R530-N533 WeakPolarHBondContact CG-ND2 3.44Å; R530-N533 PolarHBondContact O-N 2.89Å; N533-F535 PolarHBondContact O-N 2.96Å; N533-P545 HydrophobicContact CB-CG 4.35Å; N533-P545 WeakPolarHBondContact O-CD 3.35Å; N533-P545 WeakPolarHBondContact O-CG 3.41Å; N533-E546 PolarHBondContact ND2-OE1 2.87Å; N533-E546 VanDerWaalsContact ND2-OE1 3.15Å; N533-R679 WeakPolarHBondContact OD1-CD 3.29Å
534I75.7Confident82.6Confident22 Ų2246.3 Ų46.311%0.11323%0.227CC..  trans-62.3123.8176.9-62.2173.9000108.1M471 I516 D529 R530 Y542 I543M471-I534 HydrophobicContact CE-CB 3.64Å; M471-I534 HydrophobicContact CE-CD1 4.08Å; M471-I534 HydrophobicContact CE-CG1 4.41Å; M471-I534 HydrophobicContact CE-CG2 3.71Å; I516-I534 HydrophobicContact CB-CD1 4.34Å; I516-I534 HydrophobicContact CG1-CD1 3.88Å; D529-I534 HydrophobicContact CB-CD1 3.91Å; D529-I534 HydrophobicContact CB-CG1 3.59Å; R530-I534 WeakPolarHBondContact O-CG1 3.23Å; R530-I534 PolarHBondContact O-N 3.33Å; R530-I534 VanDerWaalsContact O-N 3.14Å; I534-Y542 HydrophobicContact CG2-CD1 3.7Å; I534-Y542 HydrophobicContact CG2-CG 4.12Å; I534-I543 WeakPolarHBondContact CA-O 3.4Å
535F80.4Confident82.5Confident17 Ų1746.3 Ų46.38%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-110.6147.6173.449.5-103.5000110.6N533 L537 Y542 I543 P545 V563 G565 P572N533-F535 PolarHBondContact O-N 2.96Å; F535-L537 HydrophobicContact CD2-CD2 4.04Å; F535-L537 HydrophobicContact CE2-CD2 4.04Å; F535-Y542 WeakPolarHBondContact O-CA 3.45Å; F535-I543 HydrophobicContact CD2-CB 3.9Å; F535-I543 HydrophobicContact CD2-CG2 4.46Å; F535-I543 HydrophobicContact CE1-CG2 4.45Å; F535-I543 HydrophobicContact CE2-CB 3.4Å; F535-I543 HydrophobicContact CE2-CD1 3.99Å; F535-I543 HydrophobicContact CE2-CG1 4.13Å; F535-I543 HydrophobicContact CE2-CG2 3.57Å; F535-I543 HydrophobicContact CZ-CB 3.94Å; F535-I543 HydrophobicContact CZ-CG2 3.57Å; F535-I543 PolarHBondContact N-O 3.37Å; F535-I543 PolarHBondContact O-N 2.93Å; F535-P545 HydrophobicContact CD1-CG 4.25Å; F535-P545 HydrophobicContact CE1-CB 3.64Å; F535-P545 HydrophobicContact CE1-CG 3.78Å; F535-P545 HydrophobicContact CZ-CB 4.18Å; F535-V563 HydrophobicContact CZ-CG1 4.19Å; F535-G565 VanDerWaalsContact CE2-CA 3.43Å; F535-P572 HydrophobicContact CE2-CB 4.46Å; F535-P572 HydrophobicContact CZ-CB 4.39Å
536K78.9Confident81.9Confident98 Ų9848.3 Ų48.343%0.42624%0.236SC..EExtended strand (participates in β ladder)trans-91.1134.7172.7-164.3178.1-179.21700108.4E541 Y542 S567K536-E541 WeakPolarHBondContact CA-O 3.34Å; K536-Y542 HydrophobicContact CB-CD1 3.86Å; K536-Y542 HydrophobicContact CB-CE1 3.57Å; K536-Y542 HydrophobicContact CD-CE1 4.01Å; K536-Y542 HydrophobicContact CD-CE2 4.47Å; K536-Y542 HydrophobicContact CG-CD1 4.17Å; K536-Y542 HydrophobicContact CG-CE1 3.81Å; K536-Y542 HydrophobicContact CG-CE2 4.47Å; K536-S567 WeakPolarHBondContact O-CA 3.18Å; K536-S567 WeakPolarHBondContact O-CB 3.14Å; K536-S567 PolarHBondContact O-N 2.7Å
537L83.9Confident81.5Confident2 Ų249.4 Ų49.41%0.0124%0.238CC..  trans-88.7168.3169.2-61.7-177.3000110.9F535 Q539 G540 E541 I543 Y569 F651F535-L537 HydrophobicContact CD2-CD2 4.04Å; F535-L537 HydrophobicContact CE2-CD2 4.04Å; L537-Q539 VanDerWaalsContact C-N 3.29Å; L537-Q539 PolarHBondContact O-N 3.21Å; L537-G540 WeakPolarHBondContact O-CA 3.28Å; L537-G540 PolarHBondContact O-N 3.16Å; L537-E541 PolarHBondContact N-O 3.38Å; L537-I543 HydrophobicContact CD1-CD1 3.35Å; L537-I543 HydrophobicContact CD1-CG1 4.03Å; L537-I543 HydrophobicContact CD2-CD1 4.31Å; L537-I543 HydrophobicContact CG-CD1 3.92Å; L537-I543 HydrophobicContact CG-CG1 4.26Å; L537-Y569 WeakPolarHBondContact CA-O 3.35Å; L537-Y569 WeakPolarHBondContact CB-O 3.17Å; L537-F651 HydrophobicContact CD1-CB 4.2Å; L537-F651 HydrophobicContact CD1-CD2 4.4Å
538S84.3Confident81.4Confident67 Ų6747.7 Ų47.747%0.46923%0.23SC..THydrogen-bonded Turntrans-62.2-31.2-173.463.50000114.4G540 S567 Y569 D570S538-G540 PolarHBondContact O-N 3.45Å; S538-S567 VanDerWaalsContact CA-O 3.23Å; S538-S567 WeakPolarHBondContact CA-O 3.03Å; S538-S567 WeakPolarHBondContact CB-O 3.17Å; S538-S567 PolarHBondContact N-O 3.08Å; S538-Y569 PolarHBondContact N-O 3.19Å; S538-Y569 VanDerWaalsContact OG-C 3.3Å; S538-Y569 PolarHBondContact OG-O 2.98Å; S538-D570 WeakPolarHBondContact OG-CB 3.4Å; S538-D570 PolarHBondContact OG-N 2.8Å
539Q82.4Confident81.7Confident86 Ų8645.9 Ų45.940%0.40222%0.218SC..THydrogen-bonded Turntrans-73.7-4.4172.773.4-83.233.500113.8L537 E541 D570 F651L537-Q539 VanDerWaalsContact C-N 3.29Å; L537-Q539 PolarHBondContact O-N 3.21Å; Q539-E541 HydrophobicContact CG-CB 4.1Å; Q539-E541 HydrophobicContact CG-CG 3.81Å; Q539-D570 PolarHBondContact NE2-O 3.4Å; Q539-D570 VanDerWaalsContact NE2-O 3.14Å; Q539-F651 VanDerWaalsContact NE2-CB 3.25Å
540G74Confident81.9Confident28 Ų2847.4 Ų47.429%0.28923%0.226SC..SBendtrans90.7-1.1175.700000116.1L537 S538L537-G540 WeakPolarHBondContact O-CA 3.28Å; L537-G540 PolarHBondContact O-N 3.16Å; S538-G540 PolarHBondContact O-N 3.45Å
541E78.8Confident82.4Confident84 Ų8443.6 Ų43.639%0.39321%0.213SC..  trans-72.2142.7173.2-68-69.8164.600111K536 L537 Q539 F651K536-E541 WeakPolarHBondContact CA-O 3.34Å; L537-E541 PolarHBondContact N-O 3.38Å; Q539-E541 HydrophobicContact CG-CB 4.1Å; Q539-E541 HydrophobicContact CG-CG 3.81Å; E541-F651 HydrophobicContact CB-CD2 4.02Å; E541-F651 HydrophobicContact CB-CE1 4.3Å; E541-F651 HydrophobicContact CB-CE2 3.78Å; E541-F651 HydrophobicContact CB-CG 4.39Å; E541-F651 HydrophobicContact CB-CZ 3.91Å; E541-F651 HydrophobicContact CG-CD1 4.1Å; E541-F651 HydrophobicContact CG-CD2 4.46Å; E541-F651 HydrophobicContact CG-CE1 3.77Å; E541-F651 HydrophobicContact CG-CE2 4.17Å; E541-F651 HydrophobicContact CG-CG 4.42Å; E541-F651 HydrophobicContact CG-CZ 3.79Å; E541-F651 WeakPolarHBondContact OE2-CZ 3.45Å
542Y79.8Confident83.3Confident77 Ų7743.1 Ų43.130%0.30221%0.21SC..EExtended strand (participates in β ladder)trans-98.9138.7176.8-71.6-80.8000111M471 I534 F535 K536M471-Y542 VanDerWaalsContact C-OH 3.23Å; M471-Y542 HydrophobicContact CE-CE1 4.47Å; M471-Y542 VanDerWaalsContact O-CE2 3.25Å; M471-Y542 WeakPolarHBondContact O-CE2 3.48Å; M471-Y542 PolarHBondContact O-OH 3.04Å; I534-Y542 HydrophobicContact CG2-CD1 3.7Å; I534-Y542 HydrophobicContact CG2-CG 4.12Å; F535-Y542 WeakPolarHBondContact O-CA 3.45Å; K536-Y542 HydrophobicContact CB-CD1 3.86Å; K536-Y542 HydrophobicContact CB-CE1 3.57Å; K536-Y542 HydrophobicContact CD-CE1 4.01Å; K536-Y542 HydrophobicContact CD-CE2 4.47Å; K536-Y542 HydrophobicContact CG-CD1 4.17Å; K536-Y542 HydrophobicContact CG-CE1 3.81Å; K536-Y542 HydrophobicContact CG-CE2 4.47Å
543I83.4Confident84Confident0 Ų038 Ų380%019%0.188CC..EExtended strand (participates in β ladder)trans-118.1129.2175.6-66.7-172000109.6I534 F535 L537 P545 L548 P572 F651I534-I543 WeakPolarHBondContact CA-O 3.4Å; F535-I543 HydrophobicContact CD2-CB 3.9Å; F535-I543 HydrophobicContact CD2-CG2 4.46Å; F535-I543 HydrophobicContact CE1-CG2 4.45Å; F535-I543 HydrophobicContact CE2-CB 3.4Å; F535-I543 HydrophobicContact CE2-CD1 3.99Å; F535-I543 HydrophobicContact CE2-CG1 4.13Å; F535-I543 HydrophobicContact CE2-CG2 3.57Å; F535-I543 HydrophobicContact CZ-CB 3.94Å; F535-I543 HydrophobicContact CZ-CG2 3.57Å; F535-I543 PolarHBondContact N-O 3.37Å; F535-I543 PolarHBondContact O-N 2.93Å; L537-I543 HydrophobicContact CD1-CD1 3.35Å; L537-I543 HydrophobicContact CD1-CG1 4.03Å; L537-I543 HydrophobicContact CD2-CD1 4.31Å; L537-I543 HydrophobicContact CG-CD1 3.92Å; L537-I543 HydrophobicContact CG-CG1 4.26Å; I543-P545 VanDerWaalsContact O-CD 3.25Å; I543-P545 WeakPolarHBondContact O-CD 3.34Å; I543-L548 HydrophobicContact CG2-CD1 4.03Å; I543-L548 HydrophobicContact CG2-CD2 3.71Å; I543-P572 HydrophobicContact CD1-CB 4.36Å; I543-P572 HydrophobicContact CD1-CG 4.05Å; I543-F651 HydrophobicContact CD1-CD2 4.19Å; I543-F651 VanDerWaalsContact CD1-O 3.28Å; I543-F651 WeakPolarHBondContact CD1-O 3.48Å; I543-F651 HydrophobicContact CG1-CD2 4.21Å; I543-F651 HydrophobicContact CG1-CE2 4.42Å
544A85.5Confident84.7Confident12 Ų1238 Ų3810%0.09919%0.188CC..  trans-88.798166.200000108.7D529 E546 R547D529-A544 HydrophobicContact CB-CB 3.72Å; D529-A544 WeakPolarHBondContact OD2-CA 3.15Å; D529-A544 WeakPolarHBondContact OD2-CB 3.27Å; A544-E546 VanDerWaalsContact C-N 3.27Å; A544-E546 PolarHBondContact O-N 2.95Å; A544-R547 HydrophobicContact CB-CB 4.26Å; A544-R547 WeakPolarHBondContact O-CB 3.46Å; A544-R547 PolarHBondContact O-N 3.18Å
545P90.5Very high85.5Confident1 Ų137.1 Ų37.11%0.00618%0.184CC..Hα-helixtrans-65-30-172.726.9-36.2000113.3D529 N533 F535 I543 R547 L548 E549 V563 R679D529-P545 VanDerWaalsContact OD2-CD 3.25Å; D529-P545 WeakPolarHBondContact OD2-CD 3.33Å; N533-P545 HydrophobicContact CB-CG 4.35Å; N533-P545 WeakPolarHBondContact O-CD 3.35Å; N533-P545 WeakPolarHBondContact O-CG 3.41Å; F535-P545 HydrophobicContact CD1-CG 4.25Å; F535-P545 HydrophobicContact CE1-CB 3.64Å; F535-P545 HydrophobicContact CE1-CG 3.78Å; F535-P545 HydrophobicContact CZ-CB 4.18Å; I543-P545 VanDerWaalsContact O-CD 3.25Å; I543-P545 WeakPolarHBondContact O-CD 3.34Å; P545-R547 PolarHBondContact O-N 3.43Å; P545-L548 WeakPolarHBondContact O-CB 3.49Å; P545-L548 PolarHBondContact O-N 2.98Å; P545-E549 VanDerWaalsContact O-CG 3.3Å; P545-E549 WeakPolarHBondContact O-CG 3.47Å; P545-E549 PolarHBondContact O-N 3.4Å; P545-V563 HydrophobicContact CB-CB 4.06Å; P545-V563 HydrophobicContact CB-CG1 4.04Å; P545-R679 VanDerWaalsContact CB-NH2 3.31Å
546E84.8Confident86Confident41 Ų4139.5 Ų39.519%0.19220%0.201CC..Hα-helixtrans-63.3-31.9178.6-69.8-170.6-173.300111.6P411 D529 N533 A544 N550 R679P411-E546 VanDerWaalsContact CD-OE2 3.27Å; P411-E546 WeakPolarHBondContact CD-OE2 3.1Å; P411-E546 WeakPolarHBondContact CG-OE2 3.4Å; D529-E546 PolarHBondContact OD2-N 3.19Å; N533-E546 PolarHBondContact ND2-OE1 2.87Å; N533-E546 VanDerWaalsContact ND2-OE1 3.15Å; A544-E546 VanDerWaalsContact C-N 3.27Å; A544-E546 PolarHBondContact O-N 2.95Å; E546-N550 WeakPolarHBondContact O-CB 3.25Å; E546-N550 VanDerWaalsContact O-CG 3.3Å; E546-N550 PolarHBondContact O-N 3.24Å; E546-N550 PolarHBondContact O-ND2 3.3Å; E546-R679 VanDerWaalsContact CG-NH1 3.32Å; E546-R679 IonicContact OE1-NH1 3.93Å
547R84.7Confident86.7Confident114 Ų11434.8 Ų34.843%0.4318%0.181SC..Hα-helixtrans-63.9-44.6173.3178.3179.5167.6-142.2-12.7111.4A544 P545 I551 E652A544-R547 HydrophobicContact CB-CB 4.26Å; A544-R547 WeakPolarHBondContact O-CB 3.46Å; A544-R547 PolarHBondContact O-N 3.18Å; P545-R547 PolarHBondContact O-N 3.43Å; R547-I551 HydrophobicContact CG-CD1 4.34Å; R547-I551 WeakPolarHBondContact O-CG1 3.26Å; R547-I551 PolarHBondContact O-N 3.34Å; R547-E652 IonicContact CZ-OE1 3.08Å; R547-E652 IonicContact NH1-OE1 2.87Å; R547-E652 PolarHBondContact NH1-OE1 3.47Å; R547-E652 IonicContact NH1-OE2 3.97Å; R547-E652 IonicContact NH2-OE1 2.74Å; R547-E652 IonicContact NH2-OE2 2.59Å
548L91.5Very high87.2Confident0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-65.4-48.4179.2-8658.4000110.2I543 P545 N550 I551 Y552 V563 P572 L648 E652I543-L548 HydrophobicContact CG2-CD1 4.03Å; I543-L548 HydrophobicContact CG2-CD2 3.71Å; P545-L548 WeakPolarHBondContact O-CB 3.49Å; P545-L548 PolarHBondContact O-N 2.98Å; L548-N550 VanDerWaalsContact C-N 3.33Å; L548-N550 PolarHBondContact O-N 3.36Å; L548-I551 PolarHBondContact O-N 2.89Å; L548-I551 VanDerWaalsContact O-N 3.09Å; L548-Y552 HydrophobicContact CB-CD2 4.06Å; L548-Y552 HydrophobicContact CB-CE2 3.79Å; L548-Y552 HydrophobicContact CD2-CE2 4.4Å; L548-Y552 HydrophobicContact CG-CE2 4.03Å; L548-Y552 WeakPolarHBondContact O-CD2 3.32Å; L548-Y552 PolarHBondContact O-N 2.84Å; L548-V563 HydrophobicContact CB-CG1 4.49Å; L548-V563 HydrophobicContact CB-CG2 4.2Å; L548-V563 HydrophobicContact CD2-CG1 4.08Å; L548-P572 HydrophobicContact CD2-CB 4.5Å; L548-P572 HydrophobicContact CD2-CG 4.13Å; L548-L648 HydrophobicContact CD1-CD2 4.16Å; L548-L648 HydrophobicContact CG-CD1 4.21Å; L548-E652 HydrophobicContact CD1-CB 4.21Å; L548-E652 HydrophobicContact CD1-CG 4.37Å; L548-E652 HydrophobicContact CD2-CB 4.4Å; L548-E652 VanDerWaalsContact CD2-O 3.25Å; L548-E652 WeakPolarHBondContact CD2-O 3.41Å; L548-E652 HydrophobicContact CG-CB 4.48Å
549E92.5Very high87.5Confident15 Ų1537.1 Ų37.17%0.0718%0.184CC..Hα-helixtrans-54.7-48.2178-71.3168163.700111.5P545 I551 Y552 Q553 I561 F562 V563 R679P545-E549 VanDerWaalsContact O-CG 3.3Å; P545-E549 WeakPolarHBondContact O-CG 3.47Å; P545-E549 PolarHBondContact O-N 3.4Å; E549-I551 VanDerWaalsContact C-N 3.27Å; E549-I551 PolarHBondContact O-N 3.11Å; E549-Y552 PolarHBondContact O-N 2.87Å; E549-Q553 WeakPolarHBondContact O-CB 3.49Å; E549-Q553 PolarHBondContact O-N 2.78Å; E549-I561 HydrophobicContact CB-CG2 4.12Å; E549-I561 HydrophobicContact CG-CG2 4.25Å; E549-F562 WeakPolarHBondContact OE1-CA 3.38Å; E549-V563 HydrophobicContact CG-CB 3.88Å; E549-V563 HydrophobicContact CG-CG2 3.56Å; E549-V563 PolarHBondContact OE1-N 2.95Å; E549-R679 IonicContact OE1-CZ 3.64Å; E549-R679 IonicContact OE1-NH1 3.44Å; E549-R679 IonicContact OE1-NH2 2.72Å; E549-R679 PolarHBondContact OE1-NH2 2.68Å; E549-R679 IonicContact OE2-CZ 3.61Å; E549-R679 IonicContact OE2-NH1 3.61Å; E549-R679 PolarHBondContact OE2-NH1 3.2Å; E549-R679 IonicContact OE2-NH2 2.74Å; E549-R679 PolarHBondContact OE2-NH2 3.02Å; E549-R679 VanDerWaalsContact OE2-NH2 3.14Å
550N85Confident88Confident35 Ų3533.4 Ų33.419%0.18717%0.167CC..Hα-helixtrans-61-33.6178.5-80.6-49.1000113.6P411 A413 E546 L548P411-N550 PolarHBondContact O-OD1 3.43Å; A413-N550 HydrophobicContact CB-CB 4.36Å; E546-N550 WeakPolarHBondContact O-CB 3.25Å; E546-N550 VanDerWaalsContact O-CG 3.3Å; E546-N550 PolarHBondContact O-N 3.24Å; E546-N550 PolarHBondContact O-ND2 3.3Å; L548-N550 VanDerWaalsContact C-N 3.33Å; L548-N550 PolarHBondContact O-N 3.36Å
551I89.5Confident89.1Confident24 Ų2432.1 Ų32.112%0.12315%0.154CC..Hα-helixtrans-73.1-49.3175.8-73.1165000110.3R547 L548 E549 Q553 L554 L642 R646 L648R547-I551 HydrophobicContact CG-CD1 4.34Å; R547-I551 WeakPolarHBondContact O-CG1 3.26Å; R547-I551 PolarHBondContact O-N 3.34Å; L548-I551 PolarHBondContact O-N 2.89Å; L548-I551 VanDerWaalsContact O-N 3.09Å; E549-I551 VanDerWaalsContact C-N 3.27Å; E549-I551 PolarHBondContact O-N 3.11Å; I551-Q553 VanDerWaalsContact C-N 3.31Å; I551-Q553 PolarHBondContact O-N 2.89Å; I551-L554 WeakPolarHBondContact O-CB 3.3Å; I551-L554 PolarHBondContact O-N 2.97Å; I551-L642 WeakPolarHBondContact O-CD2 3.02Å; I551-R646 HydrophobicContact CG2-CB 3.8Å; I551-R646 HydrophobicContact CG2-CG 3.98Å; I551-L648 HydrophobicContact CD1-CD1 4.31Å; I551-L648 HydrophobicContact CD1-CD2 3.55Å; I551-L648 HydrophobicContact CD1-CG 3.96Å; I551-L648 HydrophobicContact CG2-CD1 4.3Å
552Y94.3Very high89.9Confident0 Ų028.1 Ų28.10%014%0.135CC..Hα-helixtrans-70.8-26.8-175.2-66.3-49.5000113.3L548 E549 L554 S555 I561 L639 L648 E652 I653 I654L548-Y552 HydrophobicContact CB-CD2 4.06Å; L548-Y552 HydrophobicContact CB-CE2 3.79Å; L548-Y552 HydrophobicContact CD2-CE2 4.4Å; L548-Y552 HydrophobicContact CG-CE2 4.03Å; L548-Y552 WeakPolarHBondContact O-CD2 3.32Å; L548-Y552 PolarHBondContact O-N 2.84Å; E549-Y552 PolarHBondContact O-N 2.87Å; Y552-L554 PolarHBondContact O-N 3.23Å; Y552-L554 VanDerWaalsContact O-N 3.14Å; Y552-S555 VanDerWaalsContact O-CB 3.24Å; Y552-S555 WeakPolarHBondContact O-CB 3.22Å; Y552-S555 PolarHBondContact O-N 3.07Å; Y552-I561 HydrophobicContact CD2-CD1 4.07Å; Y552-I561 HydrophobicContact CG-CD1 4.14Å; Y552-L639 HydrophobicContact CD1-CB 4.06Å; Y552-L639 HydrophobicContact CD1-CD2 3.76Å; Y552-L639 HydrophobicContact CD1-CG 4.41Å; Y552-L639 HydrophobicContact CE1-CB 4.1Å; Y552-L639 VanDerWaalsContact CE1-O 3.26Å; Y552-L639 WeakPolarHBondContact CE1-O 3.3Å; Y552-L639 HydrophobicContact CG-CD2 4.05Å; Y552-L648 HydrophobicContact CE1-CD1 4.02Å; Y552-L648 HydrophobicContact CE2-CD1 4Å; Y552-L648 VanDerWaalsContact CZ-CD1 3.49Å; Y552-L648 VanDerWaalsContact OH-CD1 3.22Å; Y552-L648 WeakPolarHBondContact OH-CD1 3.45Å; Y552-E652 PolarHBondContact OH-O 2.88Å; Y552-E652 VanDerWaalsContact OH-O 3.06Å; Y552-I653 WeakPolarHBondContact OH-CA 3.34Å; Y552-I654 HydrophobicContact CD2-CD1 3.28Å; Y552-I654 HydrophobicContact CD2-CG1 4.19Å; Y552-I654 HydrophobicContact CE1-CD1 4.47Å; Y552-I654 HydrophobicContact CE2-CD1 3.16Å; Y552-I654 HydrophobicContact CE2-CG1 3.54Å; Y552-I654 HydrophobicContact CG-CD1 4.03Å; Y552-I654 PolarHBondContact OH-N 3Å
553Q91.1Very high90.7Very high48 Ų4824.5 Ų24.522%0.22412%0.121CC..THydrogen-bonded Turntrans-61.6-17174-169.264.870.200113.4E549 I551 S555 V558 E559E549-Q553 WeakPolarHBondContact O-CB 3.49Å; E549-Q553 PolarHBondContact O-N 2.78Å; I551-Q553 VanDerWaalsContact C-N 3.31Å; I551-Q553 PolarHBondContact O-N 2.89Å; Q553-S555 VanDerWaalsContact C-N 3.25Å; Q553-V558 PolarHBondContact NE2-O 3.2Å; Q553-E559 VanDerWaalsContact NE2-C 3.32Å; Q553-E559 PolarHBondContact NE2-O 3.17Å
554L88.8Confident91.2Very high26 Ų2625 Ų2514%0.13612%0.123CC..THydrogen-bonded Turntrans-77.3-11.2175-59.2166.3000112.9Y347 A413 E415 I416 I551 Y552Y347-L554 HydrophobicContact CE1-CD2 4.29Å; A413-L554 HydrophobicContact CB-CD1 4.47Å; A413-L554 HydrophobicContact CB-CD2 4.43Å; E415-L554 HydrophobicContact CB-CD1 4.39Å; E415-L554 HydrophobicContact CB-CD2 4.35Å; E415-L554 VanDerWaalsContact OE2-CD1 3.32Å; E415-L554 WeakPolarHBondContact OE2-CD1 3.43Å; E415-L554 WeakPolarHBondContact OE2-CD2 3.35Å; I416-L554 HydrophobicContact CD1-CD2 3.71Å; I416-L554 HydrophobicContact CG1-CD2 3.93Å; I551-L554 WeakPolarHBondContact O-CB 3.3Å; I551-L554 PolarHBondContact O-N 2.97Å; Y552-L554 PolarHBondContact O-N 3.23Å; Y552-L554 VanDerWaalsContact O-N 3.14Å
555S92.3Very high91.4Very high5 Ų524.8 Ų24.84%0.03512%0.122CC..SBendtrans-67.2132176.7175.60000110.8Y552 Q553 L557 V558 E638Y552-S555 VanDerWaalsContact O-CB 3.24Å; Y552-S555 WeakPolarHBondContact O-CB 3.22Å; Y552-S555 PolarHBondContact O-N 3.07Å; Q553-S555 VanDerWaalsContact C-N 3.25Å; S555-L557 PolarHBondContact O-N 3.23Å; S555-L557 VanDerWaalsContact O-N 3.08Å; S555-L557 PolarHBondContact OG-N 3.19Å; S555-V558 PolarHBondContact O-N 3.34Å; S555-E638 VanDerWaalsContact OG-CG 3.3Å; S555-E638 WeakPolarHBondContact OG-CG 3.31Å
556P89.7Confident91.2Very high66 Ų6627.1 Ų27.143%0.42914%0.135SC..THydrogen-bonded Turntrans-59.5-21.1173.3-23.533.8000113.7N579 E582P556-N579 VanDerWaalsContact O-CB 3.27Å; P556-N579 WeakPolarHBondContact O-CB 3.36Å; P556-N579 PolarHBondContact O-ND2 2.83Å; P556-E582 HydrophobicContact CB-CG 4.05Å
557L93.2Very high91.1Very high0 Ų028.5 Ų28.50%015%0.149CC..THydrogen-bonded Turntrans-84.6-12.5178.3-64.4-176.6000113.7S555 P578 N579 E582 L583 R586 I634 V635 E638S555-L557 PolarHBondContact O-N 3.23Å; S555-L557 VanDerWaalsContact O-N 3.08Å; S555-L557 PolarHBondContact OG-N 3.19Å; L557-P578 CarbonylContact O-C 3.59Å; L557-P578 VanDerWaalsContact O-CA 3.25Å; L557-P578 WeakPolarHBondContact O-CA 3.31Å; L557-N579 PolarHBondContact O-N 3.43Å; L557-E582 HydrophobicContact CD2-CB 4.25Å; L557-E582 HydrophobicContact CD2-CG 3.9Å; L557-L583 HydrophobicContact CD2-CB 4.21Å; L557-L583 HydrophobicContact CD2-CD1 4.39Å; L557-R586 HydrophobicContact CD2-CG 4.2Å; L557-I634 HydrophobicContact CD1-CG2 3.81Å; L557-V635 HydrophobicContact CD1-CG2 4.37Å; L557-E638 HydrophobicContact CD1-CB 3.85Å; L557-E638 HydrophobicContact CD1-CG 4Å; L557-E638 HydrophobicContact CG-CG 4.46Å
558V94.3Very high91Very high6 Ų631 Ų314%0.03616%0.163CC..EExtended strand (participates in β ladder)trans-106.4116.2-174.9176.40000109.3Q553 S555 I561 V576 L639Q553-V558 PolarHBondContact NE2-O 3.2Å; S555-V558 PolarHBondContact O-N 3.34Å; V558-I561 HydrophobicContact CG1-CB 3.86Å; V558-I561 HydrophobicContact CG1-CG2 4.09Å; V558-V576 HydrophobicContact CG1-CG1 4.43Å; V558-V576 HydrophobicContact CG2-CG1 4.05Å; V558-L639 HydrophobicContact CG2-CD2 3.78Å
559E91.3Very high91Very high111 Ų11133.5 Ų33.552%0.51917%0.173SC..EExtended strand (participates in β ladder)trans-86.9-41167.8-171.3170.8-179.700110.8Q553 V577Q553-E559 VanDerWaalsContact NE2-C 3.32Å; Q553-E559 PolarHBondContact NE2-O 3.17Å; E559-V577 WeakPolarHBondContact CA-O 3.12Å; E559-V577 HydrophobicContact CB-CG1 4.36Å; E559-V577 WeakPolarHBondContact CB-O 3.38Å; E559-V577 PolarHBondContact N-O 3.3Å
560Q93.9Very high90.9Very high8 Ų837 Ų374%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-147.9150.5174.1-47177.8-90.700109.9V576 V577 F664Q560-V576 WeakPolarHBondContact O-CA 3.37Å; Q560-V577 HydrophobicContact CB-CB 3.9Å; Q560-V577 HydrophobicContact CB-CG2 3.99Å; Q560-V577 HydrophobicContact CG-CB 4.24Å; Q560-V577 HydrophobicContact CG-CG2 4.47Å; Q560-V577 PolarHBondContact N-O 3.18Å; Q560-V577 VanDerWaalsContact N-O 3.11Å; Q560-V577 PolarHBondContact O-N 2.86Å; Q560-F664 HydrophobicContact CB-CD2 3.66Å; Q560-F664 HydrophobicContact CB-CE2 3.94Å; Q560-F664 HydrophobicContact CB-CG 4.48Å; Q560-F664 HydrophobicContact CG-CD2 4.48Å; Q560-F664 PolarHBondContact NE2-O 3.13Å; Q560-F664 PolarHBondContact OE1-O 2.88Å
561I95.8Very high91.3Very high2 Ų236.1 Ų36.11%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-141.2137.4177.6-173.2168.1000111.2E549 Y552 V558 V563 A574 V575 V576 L639 I654 L677E549-I561 HydrophobicContact CB-CG2 4.12Å; E549-I561 HydrophobicContact CG-CG2 4.25Å; Y552-I561 HydrophobicContact CD2-CD1 4.07Å; Y552-I561 HydrophobicContact CG-CD1 4.14Å; V558-I561 HydrophobicContact CG1-CB 3.86Å; V558-I561 HydrophobicContact CG1-CG2 4.09Å; I561-V563 HydrophobicContact CD1-CG2 4.22Å; I561-V563 HydrophobicContact CG1-CG2 4.24Å; I561-A574 HydrophobicContact CD1-CB 3.99Å; I561-A574 HydrophobicContact CG1-CB 3.97Å; I561-V575 WeakPolarHBondContact CA-O 3.44Å; I561-V576 HydrophobicContact CD1-CG2 4.04Å; I561-V576 HydrophobicContact CG1-CG2 4.03Å; I561-L639 HydrophobicContact CD1-CD1 4.25Å; I561-I654 HydrophobicContact CD1-CD1 3.72Å; I561-L677 WeakPolarHBondContact O-CD1 3.22Å
562F96.3Very high91.6Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-119.8116.9169.2167.2-119.4000108.6E549 D564 A574 V575 F664 L677 R679 L682 R683 L690E549-F562 WeakPolarHBondContact OE1-CA 3.38Å; F562-D564 HydrophobicContact CE1-CB 4.08Å; F562-D564 HydrophobicContact CZ-CB 4.13Å; F562-A574 CarbonylContact O-C 3.51Å; F562-A574 WeakPolarHBondContact O-CA 3.36Å; F562-A574 WeakPolarHBondContact O-CB 3.42Å; F562-V575 HydrophobicContact CB-CB 4.45Å; F562-V575 HydrophobicContact CD1-CB 4.42Å; F562-V575 HydrophobicContact CD1-CG2 4.29Å; F562-V575 PolarHBondContact N-O 2.87Å; F562-V575 PolarHBondContact O-N 3.41Å; F562-F664 HydrophobicContact CB-CE2 4.04Å; F562-F664 HydrophobicContact CB-CZ 4.26Å; F562-L677 HydrophobicContact CB-CD1 4.49Å; F562-R679 HydrophobicContact CE2-CB 4.22Å; F562-R679 HydrophobicContact CE2-CG 4.32Å; F562-L682 HydrophobicContact CB-CD1 4.21Å; F562-L682 HydrophobicContact CD1-CB 3.98Å; F562-L682 HydrophobicContact CD2-CB 4.37Å; F562-L682 HydrophobicContact CD2-CD1 3.97Å; F562-L682 HydrophobicContact CE1-CB 4.05Å; F562-L682 HydrophobicContact CE2-CB 4.44Å; F562-L682 HydrophobicContact CG-CB 4.16Å; F562-L682 HydrophobicContact CG-CD1 4.01Å; F562-L682 HydrophobicContact CZ-CB 4.3Å; F562-R683 HydrophobicContact CE1-CG 4.15Å; F562-R683 HydrophobicContact CZ-CG 3.72Å; F562-L690 HydrophobicContact CE1-CD1 4.28Å
563V96.2Very high91.7Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-94.6129.4177.8175.40000109.5F535 P545 L548 E549 I561 P572 A574 I654 R679F535-V563 HydrophobicContact CZ-CG1 4.19Å; P545-V563 HydrophobicContact CB-CB 4.06Å; P545-V563 HydrophobicContact CB-CG1 4.04Å; L548-V563 HydrophobicContact CB-CG1 4.49Å; L548-V563 HydrophobicContact CB-CG2 4.2Å; L548-V563 HydrophobicContact CD2-CG1 4.08Å; E549-V563 HydrophobicContact CG-CB 3.88Å; E549-V563 HydrophobicContact CG-CG2 3.56Å; E549-V563 PolarHBondContact OE1-N 2.95Å; I561-V563 HydrophobicContact CD1-CG2 4.22Å; I561-V563 HydrophobicContact CG1-CG2 4.24Å; V563-P572 HydrophobicContact CG1-CB 4.15Å; V563-A574 HydrophobicContact CG2-CB 4.26Å; V563-I654 HydrophobicContact CG2-CD1 4Å; V563-R679 PolarHBondContact O-NH2 3.09Å
564D94.8Very high92.1Very high11 Ų1132.7 Ų32.76%0.05917%0.17CC..EExtended strand (participates in β ladder)trans-119.8151.8175.3-168.160.9000111F562 I573 R683 L690 Y694F562-D564 HydrophobicContact CE1-CB 4.08Å; F562-D564 HydrophobicContact CZ-CB 4.13Å; D564-I573 HydrophobicContact CB-CG1 4.25Å; D564-I573 PolarHBondContact N-O 3Å; D564-I573 PolarHBondContact O-N 2.94Å; D564-I573 VanDerWaalsContact O-O 3.13Å; D564-R683 IonicContact OD1-CZ 3.79Å; D564-R683 VanDerWaalsContact OD1-CZ 3.22Å; D564-R683 IonicContact OD1-NE 3.77Å; D564-R683 PolarHBondContact OD1-NE 3.39Å; D564-R683 IonicContact OD1-NH2 2.78Å; D564-R683 PolarHBondContact OD1-NH2 3.42Å; D564-L690 HydrophobicContact CB-CD2 3.94Å; D564-Y694 WeakPolarHBondContact OD2-CE2 3.46Å; D564-Y694 PolarHBondContact OD2-OH 2.85Å
565G89.5Confident92.5Very high7 Ų731.5 Ų31.57%0.07216%0.164CC..  trans-149.8154.3174.600000111.7F535 Y694F535-G565 VanDerWaalsContact CE2-CA 3.43Å; G565-Y694 WeakPolarHBondContact CA-OH 3.1Å; G565-Y694 PolarHBondContact N-OH 2.89Å; G565-Y694 VanDerWaalsContact N-OH 3.15Å
566N85.1Confident92.8Very high50 Ų5031.2 Ų31.227%0.26716%0.162SC..  trans-141.7136.8-173.5178.2-28.3000109.4F568 Y569 Y694N566-F568 PolarHBondContact O-N 3.34Å; N566-F568 VanDerWaalsContact O-N 3.11Å; N566-F568 WeakPolarHBondContact OD1-CD2 3.25Å; N566-F568 PolarHBondContact OD1-N 3.5Å; N566-Y569 HydrophobicContact CB-CD2 3.88Å; N566-Y569 HydrophobicContact CB-CE2 4.38Å; N566-Y569 PolarHBondContact O-N 2.95Å; N566-Y569 VanDerWaalsContact O-N 3.08Å; N566-Y694 HydrophobicContact CB-CE1 3.98Å; N566-Y694 HydrophobicContact CB-CE2 4.01Å; N566-Y694 PolarHBondContact N-OH 2.93Å
567S83.2Confident93.1Very high70 Ų7028.4 Ų28.449%0.4914%0.144SC..THydrogen-bonded Turntrans-64-11.9-176.852.30000115.7K536 S538 Y569K536-S567 WeakPolarHBondContact O-CA 3.18Å; K536-S567 WeakPolarHBondContact O-CB 3.14Å; K536-S567 PolarHBondContact O-N 2.7Å; S538-S567 VanDerWaalsContact CA-O 3.23Å; S538-S567 WeakPolarHBondContact CA-O 3.03Å; S538-S567 WeakPolarHBondContact CB-O 3.17Å; S538-S567 PolarHBondContact N-O 3.08Å; S567-Y569 VanDerWaalsContact C-N 3.34Å
568F83.7Confident93.2Very high166 Ų16628.5 Ų28.573%0.72814%0.144SC*.THydrogen-bonded Turntrans-82.1-11.6173.7-63.3-65.1000113.7N566N566-F568 PolarHBondContact O-N 3.34Å; N566-F568 VanDerWaalsContact O-N 3.11Å; N566-F568 WeakPolarHBondContact OD1-CD2 3.25Å; N566-F568 PolarHBondContact OD1-N 3.5Å
569Y90.3Very high93Very high53 Ų5330.6 Ų30.621%0.20816%0.155CC..  trans-122.2151.7-172.8-57.1-86.4000111.3L537 S538 N566 S567 F571 Y694 S698L537-Y569 WeakPolarHBondContact CA-O 3.35Å; L537-Y569 WeakPolarHBondContact CB-O 3.17Å; S538-Y569 PolarHBondContact N-O 3.19Å; S538-Y569 VanDerWaalsContact OG-C 3.3Å; S538-Y569 PolarHBondContact OG-O 2.98Å; N566-Y569 HydrophobicContact CB-CD2 3.88Å; N566-Y569 HydrophobicContact CB-CE2 4.38Å; N566-Y569 PolarHBondContact O-N 2.95Å; N566-Y569 VanDerWaalsContact O-N 3.08Å; S567-Y569 VanDerWaalsContact C-N 3.34Å; Y569-F571 VanDerWaalsContact C-N 3.34Å; Y569-F571 HydrophobicContact CD1-CE1 4.42Å; Y569-F571 HydrophobicContact CD1-CE2 4.33Å; Y569-F571 AromaticContact CD1-CZ 3.77Å; Y569-F571 HydrophobicContact CD1-CZ 3.77Å; Y569-F571 HydrophobicContact CG-CE2 4.47Å; Y569-F571 HydrophobicContact CG-CZ 4.28Å; Y569-Y694 HydrophobicContact CD1-CD1 4.1Å; Y569-Y694 AromaticContact CD2-CD1 3.42Å; Y569-Y694 HydrophobicContact CD2-CD1 3.42Å; Y569-Y694 VanDerWaalsContact CD2-CD1 3.42Å; Y569-Y694 AromaticContact CD2-CE1 3.84Å; Y569-Y694 HydrophobicContact CD2-CE1 3.84Å; Y569-Y694 AromaticContact CD2-CG 3.92Å; Y569-Y694 HydrophobicContact CD2-CG 3.92Å; Y569-Y694 HydrophobicContact CE1-CD1 4.36Å; Y569-Y694 HydrophobicContact CE1-CG 4.48Å; Y569-Y694 AromaticContact CE2-CD1 3.73Å; Y569-Y694 HydrophobicContact CE2-CD1 3.73Å; Y569-Y694 HydrophobicContact CE2-CD2 4.35Å; Y569-Y694 HydrophobicContact CE2-CE1 4.43Å; Y569-Y694 AromaticContact CE2-CG 3.71Å; Y569-Y694 HydrophobicContact CE2-CG 3.71Å; Y569-Y694 AromaticContact CG-CD1 3.62Å; Y569-Y694 HydrophobicContact CG-CD1 3.62Å; Y569-Y694 HydrophobicContact CG-CE1 4.16Å; Y569-Y694 HydrophobicContact CG-CG 4.39Å; Y569-S698 WeakPolarHBondContact CD1-OG 3.2Å; Y569-S698 WeakPolarHBondContact CE1-OG 3.3Å
570D91.1Very high93Very high90 Ų9027 Ų2748%0.48114%0.139SC..SBendtrans-94.410.4-178.766.8-24.2000113.8S538 Q539S538-D570 WeakPolarHBondContact OG-CB 3.4Å; S538-D570 PolarHBondContact OG-N 2.8Å; Q539-D570 PolarHBondContact NE2-O 3.4Å; Q539-D570 VanDerWaalsContact NE2-O 3.14Å
571F93.7Very high92.5Very high16 Ų1632 Ų327%0.0716%0.161CC..SBendtrans-142.9155.5-178.453.7-102.4000112.6Y569 I573 K655 Y694 A697Y569-F571 VanDerWaalsContact C-N 3.34Å; Y569-F571 HydrophobicContact CD1-CE1 4.42Å; Y569-F571 HydrophobicContact CD1-CE2 4.33Å; Y569-F571 AromaticContact CD1-CZ 3.77Å; Y569-F571 HydrophobicContact CD1-CZ 3.77Å; Y569-F571 HydrophobicContact CG-CE2 4.47Å; Y569-F571 HydrophobicContact CG-CZ 4.28Å; F571-I573 HydrophobicContact CD2-CG2 4.16Å; F571-I573 HydrophobicContact CE2-CG2 4.12Å; F571-K655 HydrophobicContact CB-CB 3.87Å; F571-K655 HydrophobicContact CB-CG 4.41Å; F571-K655 HydrophobicContact CD1-CB 4.42Å; F571-K655 HydrophobicContact CD1-CG 4.15Å; F571-K655 HydrophobicContact CD2-CB 3.56Å; F571-K655 HydrophobicContact CD2-CG 3.97Å; F571-K655 HydrophobicContact CE2-CB 4.29Å; F571-K655 HydrophobicContact CE2-CG 4.36Å; F571-K655 HydrophobicContact CG-CB 3.67Å; F571-K655 HydrophobicContact CG-CD 4.5Å; F571-K655 HydrophobicContact CG-CG 3.9Å; F571-Y694 HydrophobicContact CE2-CD1 4.08Å; F571-A697 HydrophobicContact CD2-CB 4.16Å; F571-A697 HydrophobicContact CE1-CB 4.2Å; F571-A697 HydrophobicContact CE2-CB 3.23Å; F571-A697 HydrophobicContact CZ-CB 3.27Å
572P95.7Very high92.2Very high0 Ų034 Ų340%017%0.17CC..  trans-88.5158.2167.933.3-34000112.6F535 I543 L548 V563 F651 K655F535-P572 HydrophobicContact CE2-CB 4.46Å; F535-P572 HydrophobicContact CZ-CB 4.39Å; I543-P572 HydrophobicContact CD1-CB 4.36Å; I543-P572 HydrophobicContact CD1-CG 4.05Å; L548-P572 HydrophobicContact CD2-CB 4.5Å; L548-P572 HydrophobicContact CD2-CG 4.13Å; V563-P572 HydrophobicContact CG1-CB 4.15Å; P572-F651 WeakPolarHBondContact CD-O 3.34Å; P572-K655 PolarHBondContact O-N 3.04Å
573I96.8Very high91.9Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-123.8171.1171.359.8167.6000110D564 F571 R656 L690 L693 Y694D564-I573 HydrophobicContact CB-CG1 4.25Å; D564-I573 PolarHBondContact N-O 3Å; D564-I573 PolarHBondContact O-N 2.94Å; D564-I573 VanDerWaalsContact O-O 3.13Å; F571-I573 HydrophobicContact CD2-CG2 4.16Å; F571-I573 HydrophobicContact CE2-CG2 4.12Å; I573-R656 WeakPolarHBondContact CA-O 3.5Å; I573-R656 HydrophobicContact CG2-CB 4.26Å; I573-L690 HydrophobicContact CD1-CB 4.3Å; I573-L690 HydrophobicContact CD1-CD2 3.79Å; I573-L690 HydrophobicContact CG1-CD2 4.43Å; I573-L693 HydrophobicContact CB-CB 4.41Å; I573-L693 HydrophobicContact CB-CD1 4.38Å; I573-L693 HydrophobicContact CD1-CB 3.57Å; I573-L693 HydrophobicContact CD1-CD1 3.92Å; I573-L693 HydrophobicContact CD1-CG 4.41Å; I573-L693 HydrophobicContact CG2-CB 4.33Å; I573-Y694 HydrophobicContact CD1-CD1 4.08Å; I573-Y694 HydrophobicContact CD1-CD2 3.64Å; I573-Y694 HydrophobicContact CD1-CE1 3.84Å; I573-Y694 HydrophobicContact CD1-CE2 3.37Å; I573-Y694 HydrophobicContact CD1-CG 3.97Å; I573-Y694 VanDerWaalsContact CD1-CZ 3.45Å; I573-Y694 HydrophobicContact CG1-CD1 4.39Å; I573-Y694 HydrophobicContact CG1-CE1 3.8Å; I573-Y694 HydrophobicContact CG1-CE2 4.04Å; I573-Y694 HydrophobicContact CG2-CD1 4.22Å; I573-Y694 HydrophobicContact CG2-CE1 4.17Å
574A97.9Very high91.4Very high0 Ų034.1 Ų34.10%017%0.171CC..EExtended strand (participates in β ladder)trans-146.7154.2176.400000115.1I561 F562 V563 V576 I654 R656 V657 Y658I561-A574 HydrophobicContact CD1-CB 3.99Å; I561-A574 HydrophobicContact CG1-CB 3.97Å; F562-A574 CarbonylContact O-C 3.51Å; F562-A574 WeakPolarHBondContact O-CA 3.36Å; F562-A574 WeakPolarHBondContact O-CB 3.42Å; V563-A574 HydrophobicContact CG2-CB 4.26Å; A574-V576 HydrophobicContact CB-CG2 4.42Å; A574-I654 HydrophobicContact CB-CD1 3.72Å; A574-I654 HydrophobicContact CB-CG1 4.35Å; A574-I654 HydrophobicContact CB-CG2 4.11Å; A574-R656 PolarHBondContact N-O 3.02Å; A574-R656 VanDerWaalsContact N-O 3.1Å; A574-V657 HydrophobicContact CB-CG1 4.29Å; A574-V657 CarbonylContact O-C 3.55Å; A574-V657 WeakPolarHBondContact O-CA 3.47Å; A574-Y658 PolarHBondContact O-N 3.42Å
575V98Very high90.9Very high0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-99.2125160.7-1780000108.1I561 F562 Y658 F664 F686 L690I561-V575 WeakPolarHBondContact CA-O 3.44Å; F562-V575 HydrophobicContact CB-CB 4.45Å; F562-V575 HydrophobicContact CD1-CB 4.42Å; F562-V575 HydrophobicContact CD1-CG2 4.29Å; F562-V575 PolarHBondContact N-O 2.87Å; F562-V575 PolarHBondContact O-N 3.41Å; V575-Y658 WeakPolarHBondContact CA-O 3.32Å; V575-Y658 HydrophobicContact CG1-CD1 3.92Å; V575-Y658 HydrophobicContact CG2-CD1 4.44Å; V575-F664 HydrophobicContact CB-CZ 4.3Å; V575-F664 HydrophobicContact CG1-CE1 4.17Å; V575-F664 HydrophobicContact CG1-CZ 3.82Å; V575-F686 HydrophobicContact CG1-CD1 4.33Å; V575-F686 HydrophobicContact CG1-CD2 4.24Å; V575-F686 HydrophobicContact CG1-CE1 4.22Å; V575-F686 HydrophobicContact CG1-CE2 4.13Å; V575-F686 HydrophobicContact CG1-CG 4.35Å; V575-F686 HydrophobicContact CG1-CZ 4.12Å; V575-F686 HydrophobicContact CG2-CB 4.06Å; V575-F686 HydrophobicContact CG2-CD2 4.23Å; V575-F686 HydrophobicContact CG2-CG 4.02Å; V575-L690 HydrophobicContact CG2-CD2 4Å
576V98Very high90.7Very high0 Ų041.5 Ų41.50%020%0.199CC..EExtended strand (participates in β ladder)trans-117.7126.6-177.4176.70000109V558 Q560 I561 A574 P578 V635 L639 V657 Y658 L659 S660V558-V576 HydrophobicContact CG1-CG1 4.43Å; V558-V576 HydrophobicContact CG2-CG1 4.05Å; Q560-V576 WeakPolarHBondContact O-CA 3.37Å; I561-V576 HydrophobicContact CD1-CG2 4.04Å; I561-V576 HydrophobicContact CG1-CG2 4.03Å; A574-V576 HydrophobicContact CB-CG2 4.42Å; V576-P578 WeakPolarHBondContact O-CD 3.26Å; V576-V635 HydrophobicContact CG1-CG1 4.19Å; V576-V635 HydrophobicContact CG2-CG1 4.41Å; V576-L639 HydrophobicContact CG2-CD1 4.22Å; V576-V657 HydrophobicContact CG2-CB 4.07Å; V576-V657 HydrophobicContact CG2-CG1 3.97Å; V576-Y658 PolarHBondContact N-O 3.11Å; V576-L659 HydrophobicContact CB-CD2 4.05Å; V576-L659 HydrophobicContact CG1-CD2 4.3Å; V576-L659 CarbonylContact O-C 3.56Å; V576-L659 WeakPolarHBondContact O-CA 3.34Å; V576-S660 PolarHBondContact O-N 2.82Å
577V96.2Very high90.7Very high7 Ų740.1 Ų40.14%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-87.6109.1161.1-177.10000106.3E559 Q560 P663 F664E559-V577 WeakPolarHBondContact CA-O 3.12Å; E559-V577 HydrophobicContact CB-CG1 4.36Å; E559-V577 WeakPolarHBondContact CB-O 3.38Å; E559-V577 PolarHBondContact N-O 3.3Å; Q560-V577 HydrophobicContact CB-CB 3.9Å; Q560-V577 HydrophobicContact CB-CG2 3.99Å; Q560-V577 HydrophobicContact CG-CB 4.24Å; Q560-V577 HydrophobicContact CG-CG2 4.47Å; Q560-V577 PolarHBondContact N-O 3.18Å; Q560-V577 VanDerWaalsContact N-O 3.11Å; Q560-V577 PolarHBondContact O-N 2.86Å; V577-P663 HydrophobicContact CG1-CB 4.43Å; V577-F664 HydrophobicContact CG2-CD1 3.86Å; V577-F664 HydrophobicContact CG2-CD2 4.21Å; V577-F664 HydrophobicContact CG2-CE1 3.63Å; V577-F664 HydrophobicContact CG2-CE2 4.01Å; V577-F664 HydrophobicContact CG2-CG 4.15Å; V577-F664 HydrophobicContact CG2-CZ 3.73Å
578P95Very high90.5Very high1 Ų138.6 Ų38.61%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-80.8149.8-174.229.8-30000111.7L557 V576 I580 L583 S660L557-P578 CarbonylContact O-C 3.59Å; L557-P578 VanDerWaalsContact O-CA 3.25Å; L557-P578 WeakPolarHBondContact O-CA 3.31Å; V576-P578 WeakPolarHBondContact O-CD 3.26Å; P578-I580 HydrophobicContact CG-CD1 3.81Å; P578-I580 PolarHBondContact O-N 2.91Å; P578-L583 HydrophobicContact CB-CD2 3.68Å; P578-L583 HydrophobicContact CG-CD2 4.04Å; P578-S660 WeakPolarHBondContact CD-O 3.37Å
579N91.2Very high90.1Very high51 Ų5134 Ų3427%0.27317%0.165SC..  trans-68.398.9163.1-178.8-27.7000108.6P556 L557 K581 E582 L583P556-N579 VanDerWaalsContact O-CB 3.27Å; P556-N579 WeakPolarHBondContact O-CB 3.36Å; P556-N579 PolarHBondContact O-ND2 2.83Å; L557-N579 PolarHBondContact O-N 3.43Å; N579-K581 VanDerWaalsContact C-N 3.26Å; N579-K581 PolarHBondContact O-N 3.08Å; N579-K581 PolarHBondContact OD1-N 3.22Å; N579-E582 HydrophobicContact CB-CB 4.22Å; N579-E582 PolarHBondContact O-N 3.46Å; N579-E582 PolarHBondContact OD1-N 2.84Å; N579-E582 VanDerWaalsContact OD1-N 3.09Å; N579-L583 VanDerWaalsContact O-CB 3.25Å; N579-L583 WeakPolarHBondContact O-CB 3.24Å; N579-L583 PolarHBondContact O-N 2.81Å
580I89.7Confident89.2Confident36 Ų3636.7 Ų36.719%0.18518%0.179CC..Hα-helixtrans-57.8-40.1-173.3-58.4-59.9000112P578 T584 T622 L625P578-I580 HydrophobicContact CG-CD1 3.81Å; P578-I580 PolarHBondContact O-N 2.91Å; I580-T584 VanDerWaalsContact O-CB 3.24Å; I580-T584 WeakPolarHBondContact O-CB 3.22Å; I580-T584 PolarHBondContact O-N 3.34Å; I580-T584 PolarHBondContact O-OG1 2.62Å; I580-T622 HydrophobicContact CD1-CG2 3.49Å; I580-T622 VanDerWaalsContact CD1-CG2 3.49Å; I580-T622 HydrophobicContact CG1-CG2 3.88Å; I580-L625 HydrophobicContact CD1-CD2 4.18Å; I580-L625 HydrophobicContact CG2-CD2 4Å
581K85.4Confident87.8Confident113 Ų11335.8 Ų35.849%0.49118%0.184SC..Hα-helixtrans-64.3-50.8-179.8-175-177.5176.9-171.30111.1E352 N579 K585E352-K581 IonicContact OE1-NZ 2.71Å; E352-K581 PolarHBondContact OE1-NZ 3.46Å; N579-K581 VanDerWaalsContact C-N 3.26Å; N579-K581 PolarHBondContact O-N 3.08Å; N579-K581 PolarHBondContact OD1-N 3.22Å; K581-K585 WeakPolarHBondContact O-CB 3.47Å; K581-K585 PolarHBondContact O-N 2.87Å; K581-K585 VanDerWaalsContact O-N 3.09Å
582E87.8Confident85.7Confident44 Ų4442 Ų4221%0.20622%0.217CC..Hα-helixtrans-71.3-37.1-178-170.157.8-154.500111.9P556 L557 N579 K585 R586P556-E582 HydrophobicContact CB-CG 4.05Å; L557-E582 HydrophobicContact CD2-CB 4.25Å; L557-E582 HydrophobicContact CD2-CG 3.9Å; N579-E582 HydrophobicContact CB-CB 4.22Å; N579-E582 PolarHBondContact O-N 3.46Å; N579-E582 PolarHBondContact OD1-N 2.84Å; N579-E582 VanDerWaalsContact OD1-N 3.09Å; E582-K585 PolarHBondContact O-N 2.84Å; E582-K585 IonicContact OE1-NZ 3.74Å; E582-K585 IonicContact OE2-NZ 3.88Å; E582-R586 WeakPolarHBondContact O-CG 3.5Å; E582-R586 PolarHBondContact O-N 2.85Å
583L90.2Very high83.2Confident0 Ų050.1 Ų50.10%025%0.253CS..Hα-helixtrans-63.9-45.8175.7-179.457.3000111.7L557 P578 N579 K585 R586 I587 L625 A631 I634 V635 L659L557-L583 HydrophobicContact CD2-CB 4.21Å; L557-L583 HydrophobicContact CD2-CD1 4.39Å; P578-L583 HydrophobicContact CB-CD2 3.68Å; P578-L583 HydrophobicContact CG-CD2 4.04Å; N579-L583 VanDerWaalsContact O-CB 3.25Å; N579-L583 WeakPolarHBondContact O-CB 3.24Å; N579-L583 PolarHBondContact O-N 2.81Å; L583-K585 VanDerWaalsContact C-N 3.32Å; L583-K585 PolarHBondContact O-N 2.81Å; L583-R586 PolarHBondContact O-N 3.45Å; L583-I587 HydrophobicContact CD1-CD1 4.01Å; L583-I587 HydrophobicContact CD1-CG1 4.42Å; L583-I587 HydrophobicContact CG-CD1 3.96Å; L583-I587 WeakPolarHBondContact O-CG1 2.96Å; L583-I587 PolarHBondContact O-N 3.42Å; L583-L625 HydrophobicContact CB-CD2 4.46Å; L583-L625 HydrophobicContact CD2-CD2 4.01Å; L583-L625 HydrophobicContact CD2-CG 4.27Å; L583-L625 HydrophobicContact CG-CD2 4.17Å; L583-A631 HydrophobicContact CD1-CB 4.5Å; L583-A631 HydrophobicContact CD2-CB 4.22Å; L583-I634 HydrophobicContact CD1-CG2 4.23Å; L583-V635 HydrophobicContact CD1-CG2 4.02Å; L583-V635 HydrophobicContact CD2-CG2 4.41Å; L583-L659 HydrophobicContact CD2-CD1 4.27Å
584T86.1Confident80.2Confident1 Ų158.5 Ų58.51%0.00630%0.298CS..Hα-helixtrans-59.7-45.3176.4-58.80000110.9I580 R586 I587 L588 P618 V620 L625I580-T584 VanDerWaalsContact O-CB 3.24Å; I580-T584 WeakPolarHBondContact O-CB 3.22Å; I580-T584 PolarHBondContact O-N 3.34Å; I580-T584 PolarHBondContact O-OG1 2.62Å; T584-R586 PolarHBondContact O-N 2.93Å; T584-I587 PolarHBondContact O-N 3.49Å; T584-L588 HydrophobicContact CG2-CD1 3.98Å; T584-L588 HydrophobicContact CG2-CG 4.43Å; T584-L588 WeakPolarHBondContact O-CB 3.48Å; T584-L588 WeakPolarHBondContact O-CG 3.04Å; T584-L588 PolarHBondContact O-N 2.72Å; T584-P618 HydrophobicContact CG2-CB 3.83Å; T584-P618 HydrophobicContact CG2-CG 4.12Å; T584-V620 HydrophobicContact CG2-CG2 3.77Å; T584-L625 WeakPolarHBondContact OG1-CD2 3.48Å
585K84.5Confident77.2Confident115 Ų11563.6 Ų63.650%0.533%0.325SS..Hα-helixtrans-58-45.3175.9-179.1-173.7171.5-163.20112.1K581 E582 L583 L588 S589K581-K585 WeakPolarHBondContact O-CB 3.47Å; K581-K585 PolarHBondContact O-N 2.87Å; K581-K585 VanDerWaalsContact O-N 3.09Å; E582-K585 PolarHBondContact O-N 2.84Å; E582-K585 IonicContact OE1-NZ 3.74Å; E582-K585 IonicContact OE2-NZ 3.88Å; L583-K585 VanDerWaalsContact C-N 3.32Å; L583-K585 PolarHBondContact O-N 2.81Å; K585-L588 PolarHBondContact O-N 2.91Å; K585-S589 WeakPolarHBondContact O-CB 3.49Å; K585-S589 PolarHBondContact O-N 2.98Å; K585-S589 PolarHBondContact O-OG 2.97Å
586R85.4Confident74.1Confident58 Ų5869.1 Ų69.122%0.21936%0.363CS..Hα-helixtrans-65.2-40.8178-72.9-156.7-168.2-174.32.3112.4L557 E582 L583 T584 S589 K590 I634 E638L557-R586 HydrophobicContact CD2-CG 4.2Å; E582-R586 WeakPolarHBondContact O-CG 3.5Å; E582-R586 PolarHBondContact O-N 2.85Å; L583-R586 PolarHBondContact O-N 3.45Å; T584-R586 PolarHBondContact O-N 2.93Å; R586-S589 WeakPolarHBondContact CA-OG 3.39Å; R586-S589 PolarHBondContact O-N 2.88Å; R586-S589 PolarHBondContact O-OG 3.39Å; R586-K590 PolarHBondContact O-N 3.08Å; R586-K590 VanDerWaalsContact O-N 3.12Å; R586-I634 HydrophobicContact CB-CG2 4.49Å; R586-E638 IonicContact CZ-OE1 2.73Å; R586-E638 IonicContact CZ-OE2 3.58Å; R586-E638 IonicContact NH1-OE1 2.8Å; R586-E638 PolarHBondContact NH1-OE1 3.39Å; R586-E638 IonicContact NH1-OE2 3.43Å; R586-E638 PolarHBondContact NH1-OE2 3.17Å; R586-E638 IonicContact NH2-OE1 3.91Å; R586-E638 PolarHBondContact NH2-OE1 3.47Å; R586-E638 IonicContact NH2-OE2 2.82Å
587I84Confident71.3Confident22 Ų2275.3 Ų75.311%0.11340%0.396CS..Hα-helixtrans-61.6-49176.7-72.1161.1000110.6L583 T584 S589 K590 A591 L625 A631 I634L583-I587 HydrophobicContact CD1-CD1 4.01Å; L583-I587 HydrophobicContact CD1-CG1 4.42Å; L583-I587 HydrophobicContact CG-CD1 3.96Å; L583-I587 WeakPolarHBondContact O-CG1 2.96Å; L583-I587 PolarHBondContact O-N 3.42Å; T584-I587 PolarHBondContact O-N 3.49Å; I587-S589 VanDerWaalsContact C-N 3.33Å; I587-S589 PolarHBondContact O-N 2.83Å; I587-K590 PolarHBondContact O-N 2.85Å; I587-K590 VanDerWaalsContact O-N 3.17Å; I587-A591 PolarHBondContact O-N 2.98Å; I587-L625 HydrophobicContact CD1-CD1 3.49Å; I587-L625 VanDerWaalsContact CD1-CD1 3.49Å; I587-L625 HydrophobicContact CD1-CG 4.5Å; I587-A631 HydrophobicContact CD1-CB 3.89Å; I587-I634 HydrophobicContact CG1-CD1 3.5Å
588L79.3Confident68.7Low38 Ų3878.4 Ų78.420%0.19941%0.412CS..Hα-helixtrans-59.9-41.8177.3-73173.3000112.3T584 K585 K590 A591 N592 Y611 L613T584-L588 HydrophobicContact CG2-CD1 3.98Å; T584-L588 HydrophobicContact CG2-CG 4.43Å; T584-L588 WeakPolarHBondContact O-CB 3.48Å; T584-L588 WeakPolarHBondContact O-CG 3.04Å; T584-L588 PolarHBondContact O-N 2.72Å; K585-L588 PolarHBondContact O-N 2.91Å; L588-K590 VanDerWaalsContact C-N 3.28Å; L588-K590 PolarHBondContact O-N 2.92Å; L588-A591 PolarHBondContact O-N 2.88Å; L588-N592 PolarHBondContact O-N 2.99Å; L588-Y611 HydrophobicContact CD2-CG 4.37Å; L588-L613 HydrophobicContact CD1-CD1 4.23Å; L588-L613 HydrophobicContact CD1-CD2 4.44Å; L588-L613 HydrophobicContact CD1-CG 4.35Å
589S77Confident65.8Low68 Ų6882 Ų8248%0.47643%0.431SS..Hα-helixtrans-63.4-33.417872.60000113.2K585 R586 I587K585-S589 WeakPolarHBondContact O-CB 3.49Å; K585-S589 PolarHBondContact O-N 2.98Å; K585-S589 PolarHBondContact O-OG 2.97Å; R586-S589 WeakPolarHBondContact CA-OG 3.39Å; R586-S589 PolarHBondContact O-N 2.88Å; R586-S589 PolarHBondContact O-OG 3.39Å; I587-S589 VanDerWaalsContact C-N 3.33Å; I587-S589 PolarHBondContact O-N 2.83Å
590K69.4Low63.1Low111 Ų11187.7 Ų87.748%0.48346%0.461SS..Hα-helixtrans-79.5-31.8176.1-75.5-167.3173.9-168.30112.6R586 I587 L588 N592 F593 I634R586-K590 PolarHBondContact O-N 3.08Å; R586-K590 VanDerWaalsContact O-N 3.12Å; I587-K590 PolarHBondContact O-N 2.85Å; I587-K590 VanDerWaalsContact O-N 3.17Å; L588-K590 VanDerWaalsContact C-N 3.28Å; L588-K590 PolarHBondContact O-N 2.92Å; K590-N592 VanDerWaalsContact C-N 3.27Å; K590-N592 PolarHBondContact O-N 2.98Å; K590-F593 PolarHBondContact O-N 3.23Å; K590-I634 HydrophobicContact CD-CD1 4.28Å; K590-I634 HydrophobicContact CD-CG1 4.41Å
591A61.6Low60.3Low71 Ų7188.7 Ų88.759%0.58748%0.48SS*.Hα-helixtrans-66.3-28.2176.900000113I587 L588 F593I587-A591 PolarHBondContact O-N 2.98Å; L588-A591 PolarHBondContact O-N 2.88Å; A591-F593 VanDerWaalsContact C-N 3.27Å; A591-F593 PolarHBondContact O-N 3.24Å
592N51.1Low57.8Low146 Ų14692 Ų9278%0.78150%0.503SS*.THydrogen-bonded Turntrans-76.9-7.8175.2-77.2-14.1000114.3L588 K590L588-N592 PolarHBondContact O-N 2.99Å; K590-N592 VanDerWaalsContact C-N 3.27Å; K590-N592 PolarHBondContact O-N 2.98Å
593F43.2Very low55.5Low171 Ų17196.8 Ų96.875%0.7552%0.524SS*.SBendtrans-105.9115.3168.2-87.9-93.8000107.4K590 A591 D595K590-F593 PolarHBondContact O-N 3.23Å; A591-F593 VanDerWaalsContact C-N 3.27Å; A591-F593 PolarHBondContact O-N 3.24Å; F593-D595 VanDerWaalsContact C-N 3.3Å; F593-D595 PolarHBondContact O-N 3.14Å
594N32.9Very low53.2Low175 Ų17598.7 Ų98.794%0.93654%0.543SS*.  trans-50.182.2-178.5-82.1-21.7000113.6
595D36.3Very low50.9Low108 Ų108107.1 Ų107.158%0.57858%0.582SS**  trans-120.990169.1-148-2.9000107.4F593 L597F593-D595 VanDerWaalsContact C-N 3.3Å; F593-D595 PolarHBondContact O-N 3.14Å; D595-L597 PolarHBondContact O-N 3.2Å
596S31.8Very low48.8Very low115 Ų115104.8 Ų104.880%0.80458%0.584SS**THydrogen-bonded Turntrans-6832-178.960.70000113.5
597L38.7Very low46.8Very low131 Ų131105 Ų10569%0.68659%0.588SS**THydrogen-bonded Turntrans-1181.3-174.3-92.2155000113.2D595D595-L597 PolarHBondContact O-N 3.2Å
598L41.5Very low44.8Very low71 Ų71106.9 Ų106.937%0.37261%0.607SS.*SBendtrans-107.6-7.3175.8-66.8177000114.3A630L598-A630 HydrophobicContact CB-CB 4.28Å; L598-A630 HydrophobicContact CD1-CB 4.37Å; L598-A630 HydrophobicContact CD2-CB 3.78Å; L598-A630 HydrophobicContact CG-CB 4.37Å
599L35.9Very low43.1Very low78 Ų78108.2 Ų108.241%0.40862%0.619SS.*SBendtrans-129.5100.5178.8-58.9167.9000107.8G601 E607L599-G601 PolarHBondContact O-N 2.88Å; L599-G601 VanDerWaalsContact O-N 3.17Å; L599-E607 HydrophobicContact CD2-CB 4.29Å; L599-E607 WeakPolarHBondContact CD2-OE2 3.42Å
600N32.7Very low41.6Very low170 Ų170112.1 Ų112.191%0.90963%0.627SS**  trans-67.6112.3175.2-87.4-18000109.7
601G31.5Very low40.5Very low57 Ų57109.2 Ų109.259%0.58861%0.614SS**SBendtrans95.4165.1165.300000115.4L599 K603L599-G601 PolarHBondContact O-N 2.88Å; L599-G601 VanDerWaalsContact O-N 3.17Å; G601-K603 PolarHBondContact O-N 2.81Å
602N33.9Very low39.4Very low182 Ų182113.8 Ų113.897%0.97362%0.62SS**SBendtrans-59.554.6-175.9-69.9-18.1000115.2
603K39.8Very low38.9Very low145 Ų145112.4 Ų112.463%0.6361%0.612SS**  trans-133.916177.5-73.8-171.9175.9179.60112.8G601 E605 A606 E607G601-K603 PolarHBondContact O-N 2.81Å; K603-E605 VanDerWaalsContact C-N 3.26Å; K603-E605 PolarHBondContact O-N 3.04Å; K603-A606 PolarHBondContact O-N 3.13Å; K603-A606 VanDerWaalsContact O-N 3.14Å; K603-E607 PolarHBondContact O-N 3.06Å
604G40.3Very low38.5Very low39 Ų39110.1 Ų110.140%0.40261%0.608SS.*Hα-helixtrans-57.4-30.9-174.100000115.2
605E38.9Very low38.9Very low179 Ų179110 Ų11084%0.83661%0.608SS**Hα-helixtrans-84.1-29.2178.7-70.5-177.4158.100113.4K603 S609K603-E605 VanDerWaalsContact C-N 3.26Å; K603-E605 PolarHBondContact O-N 3.04Å; E605-S609 PolarHBondContact O-OG 2.67Å; E605-S609 VanDerWaalsContact O-OG 3.13Å
606A40.8Very low39.2Very low65 Ų65110 Ų11054%0.53762%0.615SS.*Hα-helixtrans-79.1-31-177.800000113.1K603 S609K603-A606 PolarHBondContact O-N 3.13Å; K603-A606 VanDerWaalsContact O-N 3.14Å; A606-S609 VanDerWaalsContact C-OG 3.3Å; A606-S609 WeakPolarHBondContact CA-OG 3.42Å; A606-S609 PolarHBondContact O-OG 3.44Å
607E42.2Very low39.7Very low64 Ų64109.8 Ų109.830%0.29961%0.605SS.*Hα-helixtrans-80.8-30.9177.6-76.2-169.5138.500113.1L599 K603 S609 K610 Y611L599-E607 HydrophobicContact CD2-CB 4.29Å; L599-E607 WeakPolarHBondContact CD2-OE2 3.42Å; K603-E607 PolarHBondContact O-N 3.06Å; E607-S609 VanDerWaalsContact C-N 3.27Å; E607-S609 PolarHBondContact O-N 3.46Å; E607-K610 WeakPolarHBondContact O-CB 3.38Å; E607-K610 PolarHBondContact O-N 3.25Å; E607-K610 VanDerWaalsContact O-N 3.14Å; E607-Y611 VanDerWaalsContact O-CD2 3.27Å; E607-Y611 WeakPolarHBondContact O-CD2 3.46Å
608A42.9Very low40.1Very low61 Ų61105.7 Ų105.750%0.50459%0.587SS.*Hα-helixtrans-61.7-35.6172.600000112.1K610 Y611A608-K610 PolarHBondContact O-N 3.31Å; A608-Y611 PolarHBondContact O-N 2.91Å
609S43.4Very low40.7Very low66 Ų66109.9 Ų109.946%0.46261%0.608SS.*G310 helixtrans-66.2-14175.430.80000115.4E605 A606 E607 Y611E605-S609 PolarHBondContact O-OG 2.67Å; E605-S609 VanDerWaalsContact O-OG 3.13Å; A606-S609 VanDerWaalsContact C-OG 3.3Å; A606-S609 WeakPolarHBondContact CA-OG 3.42Å; A606-S609 PolarHBondContact O-OG 3.44Å; E607-S609 VanDerWaalsContact C-N 3.27Å; E607-S609 PolarHBondContact O-N 3.46Å; S609-Y611 VanDerWaalsContact C-N 3.26Å
610K45.3Very low41.8Very low149 Ų149107.1 Ų107.165%0.64859%0.594SS**G310 helixtrans-75.4-15.3169.8-78.4-176.7175.8177.70113.1E607 A608E607-K610 WeakPolarHBondContact O-CB 3.38Å; E607-K610 PolarHBondContact O-N 3.25Å; E607-K610 VanDerWaalsContact O-N 3.14Å; A608-K610 PolarHBondContact O-N 3.31Å
611Y46.1Very low43.9Very low50 Ų50103.3 Ų103.320%0.19657%0.574CS.*G310 helixtrans-107.739.5-179.5-57.8-89.2000111.9L588 E607 A608 S609 L613 V620 L625L588-Y611 HydrophobicContact CD2-CG 4.37Å; E607-Y611 VanDerWaalsContact O-CD2 3.27Å; E607-Y611 WeakPolarHBondContact O-CD2 3.46Å; A608-Y611 PolarHBondContact O-N 2.91Å; S609-Y611 VanDerWaalsContact C-N 3.26Å; Y611-L613 PolarHBondContact O-N 3.27Å; Y611-L613 VanDerWaalsContact O-N 3.1Å; Y611-V620 HydrophobicContact CD1-CG1 4.42Å; Y611-V620 HydrophobicContact CD1-CG2 3.6Å; Y611-V620 HydrophobicContact CE1-CG1 4.02Å; Y611-V620 HydrophobicContact CE1-CG2 4.01Å; Y611-L625 HydrophobicContact CE1-CD1 4.43Å
612K39Very low46.2Very low167 Ų167102.8 Ų102.873%0.72656%0.559SS**  trans-62.3114.5176.9-87.8-173.5176.6-176.80110.8N614K612-N614 PolarHBondContact O-N 3.13Å
613L39Very low48.7Very low118 Ų11897.3 Ų97.362%0.61853%0.534SS*.  trans-69.8110.8166.9-77.6136.3000109L588 Y611L588-L613 HydrophobicContact CD1-CD1 4.23Å; L588-L613 HydrophobicContact CD1-CD2 4.44Å; L588-L613 HydrophobicContact CD1-CG 4.35Å; Y611-L613 PolarHBondContact O-N 3.27Å; Y611-L613 VanDerWaalsContact O-N 3.1Å
614N35.5Very low50.8Low123 Ų12393 Ų9366%0.65852%0.52SS*.  trans-93138.5147.8-73.7-7.2000106.5K612 S616 N617K612-N614 PolarHBondContact O-N 3.13Å; N614-S616 PolarHBondContact O-N 2.87Å; N614-N617 PolarHBondContact O-N 3.09Å
615D41.4Very low53Low173 Ų17391.2 Ų91.293%0.92550%0.501SS*.THydrogen-bonded Turntrans-59.919-168.6-85.7-33.9000117.1
616S41.9Very low55.3Low106 Ų10683.3 Ų83.374%0.74147%0.465SS*.THydrogen-bonded Turntrans-141.4-5.2-176.644.20000117.2N614N614-S616 PolarHBondContact O-N 2.87Å
617N43Very low57.5Low111 Ų11184.2 Ų84.259%0.59447%0.467SS*.  trans174.8134.7161.2-103.1-23.2000109.9N614 I619N614-N617 PolarHBondContact O-N 3.09Å; N617-I619 PolarHBondContact O-N 2.85Å; N617-I619 VanDerWaalsContact O-N 3.12Å
618P47.8Very low59.6Low46 Ų4683.5 Ų83.530%0.29946%0.464SS..  trans-69.9110.1171.227.7-30.1000109.5T584 V620T584-P618 HydrophobicContact CG2-CB 3.83Å; T584-P618 HydrophobicContact CG2-CG 4.12Å; P618-V620 PolarHBondContact O-N 3.19Å; P618-V620 VanDerWaalsContact O-N 3.08Å
619I53.2Low61.7Low159 Ų15985.3 Ų85.382%0.81547%0.471SS*.  trans-83.176.9168.9-52.5175000107N617N617-I619 PolarHBondContact O-N 2.85Å; N617-I619 VanDerWaalsContact O-N 3.12Å
620V60.3Low63.7Low19 Ų1982.9 Ų82.912%0.11546%0.455CS..  trans-95.8123.3161.6-174.40000106.5T584 Y611 P618 T622 L625T584-V620 HydrophobicContact CG2-CG2 3.77Å; Y611-V620 HydrophobicContact CD1-CG1 4.42Å; Y611-V620 HydrophobicContact CD1-CG2 3.6Å; Y611-V620 HydrophobicContact CE1-CG1 4.02Å; Y611-V620 HydrophobicContact CE1-CG2 4.01Å; P618-V620 PolarHBondContact O-N 3.19Å; P618-V620 VanDerWaalsContact O-N 3.08Å; V620-T622 PolarHBondContact O-N 3.31Å; V620-T622 VanDerWaalsContact O-N 3.14Å; V620-L625 HydrophobicContact CG1-CB 3.92Å; V620-L625 HydrophobicContact CG1-CD1 4.28Å
621D75.1Confident65.9Low90 Ų9075.8 Ų75.848%0.48142%0.424SS..  trans-55.5118.4172.2172.866.6000109.9P623 T624 L625D621-P623 WeakPolarHBondContact OD1-CD 3.42Å; D621-P623 WeakPolarHBondContact OD2-CD 3.36Å; D621-T624 WeakPolarHBondContact O-CB 3.37Å; D621-T624 PolarHBondContact O-N 3.3Å; D621-T624 VanDerWaalsContact O-N 3.07Å; D621-T624 WeakPolarHBondContact OD2-CB 3.28Å; D621-T624 PolarHBondContact OD2-N 3.18Å; D621-T624 PolarHBondContact OD2-OG1 3.01Å; D621-L625 PolarHBondContact O-N 2.81Å
622T81.3Confident68.1Low46 Ų4676.2 Ų76.228%0.28243%0.425SS..Hα-helixtrans-55.4-48.9-173.9-64.80000112.8I580 V620 T624 L625 C626I580-T622 HydrophobicContact CD1-CG2 3.49Å; I580-T622 VanDerWaalsContact CD1-CG2 3.49Å; I580-T622 HydrophobicContact CG1-CG2 3.88Å; V620-T622 PolarHBondContact O-N 3.31Å; V620-T622 VanDerWaalsContact O-N 3.14Å; T622-T624 VanDerWaalsContact C-N 3.33Å; T622-T624 PolarHBondContact O-N 3.05Å; T622-L625 PolarHBondContact O-N 3.47Å; T622-C626 WeakPolarHBondContact O-CB 3.44Å; T622-C626 PolarHBondContact O-N 3.25Å; T622-C626 PolarHBondContact O-SG 3.14Å; T622-C626 VanDerWaalsContact O-SG 3.39Å
623P85.8Confident70.7Confident67 Ų6775 Ų7544%0.43542%0.42SS..Hα-helixtrans-52.1-47171.3-26.932.4000114D621 L625 C626 S627D621-P623 WeakPolarHBondContact OD1-CD 3.42Å; D621-P623 WeakPolarHBondContact OD2-CD 3.36Å; P623-L625 PolarHBondContact O-N 2.69Å; P623-C626 PolarHBondContact O-N 2.98Å; P623-S627 PolarHBondContact O-N 3.28Å; P623-S627 VanDerWaalsContact O-N 3.1Å
624T84Confident73.3Confident56 Ų5669.9 Ų69.934%0.34439%0.393SS..Hα-helixtrans-61-45.1179.7-59.20000111.2D621 T622 S627D621-T624 WeakPolarHBondContact O-CB 3.37Å; D621-T624 PolarHBondContact O-N 3.3Å; D621-T624 VanDerWaalsContact O-N 3.07Å; D621-T624 WeakPolarHBondContact OD2-CB 3.28Å; D621-T624 PolarHBondContact OD2-N 3.18Å; D621-T624 PolarHBondContact OD2-OG1 3.01Å; T622-T624 VanDerWaalsContact C-N 3.33Å; T622-T624 PolarHBondContact O-N 3.05Å; T624-S627 PolarHBondContact O-N 3.11Å; T624-S627 PolarHBondContact O-OG 3.29Å
625L85.4Confident76.2Confident0 Ų064 Ų640%036%0.362CS..Hα-helixtrans-61.5-46.7177.5-173.564.5000112.1I580 L583 T584 I587 Y611 V620 D621 T622 P623 S627 Q628 A631I580-L625 HydrophobicContact CD1-CD2 4.18Å; I580-L625 HydrophobicContact CG2-CD2 4Å; L583-L625 HydrophobicContact CB-CD2 4.46Å; L583-L625 HydrophobicContact CD2-CD2 4.01Å; L583-L625 HydrophobicContact CD2-CG 4.27Å; L583-L625 HydrophobicContact CG-CD2 4.17Å; T584-L625 WeakPolarHBondContact OG1-CD2 3.48Å; I587-L625 HydrophobicContact CD1-CD1 3.49Å; I587-L625 VanDerWaalsContact CD1-CD1 3.49Å; I587-L625 HydrophobicContact CD1-CG 4.5Å; Y611-L625 HydrophobicContact CE1-CD1 4.43Å; V620-L625 HydrophobicContact CG1-CB 3.92Å; V620-L625 HydrophobicContact CG1-CD1 4.28Å; D621-L625 PolarHBondContact O-N 2.81Å; T622-L625 PolarHBondContact O-N 3.47Å; P623-L625 PolarHBondContact O-N 2.69Å; L625-S627 PolarHBondContact O-N 2.77Å; L625-Q628 WeakPolarHBondContact O-CB 3.34Å; L625-Q628 PolarHBondContact O-N 3.33Å; L625-Q628 VanDerWaalsContact O-N 3.11Å; L625-A631 WeakPolarHBondContact O-CB 3.33Å
626C88.2Confident78.8Confident13 Ų1356.9 Ų56.99%0.08833%0.325CS..Hα-helixtrans-63.9-25.8-179-72.50000113T622 P623 Q628 L659T622-C626 WeakPolarHBondContact O-CB 3.44Å; T622-C626 PolarHBondContact O-N 3.25Å; T622-C626 PolarHBondContact O-SG 3.14Å; T622-C626 VanDerWaalsContact O-SG 3.39Å; P623-C626 PolarHBondContact O-N 2.98Å; C626-Q628 VanDerWaalsContact C-N 3.33Å; C626-L659 HydrophobicContact CB-CB 3.86Å; C626-L659 WeakPolarHBondContact CB-O 3.43Å
627S86.8Confident81.4Confident84 Ų8454.4 Ų54.459%0.58731%0.307SS*.THydrogen-bonded Turntrans-77.1-12.2175.570.40000114.9P623 T624 L625 P629P623-S627 PolarHBondContact O-N 3.28Å; P623-S627 VanDerWaalsContact O-N 3.1Å; T624-S627 PolarHBondContact O-N 3.11Å; T624-S627 PolarHBondContact O-OG 3.29Å; L625-S627 PolarHBondContact O-N 2.77Å; S627-P629 WeakPolarHBondContact O-CD 3.37Å
628Q85.8Confident83.8Confident49 Ų4951 Ų5123%0.22929%0.288CS..  trans-76.7127.2-174.6-64.2-60.2-38.200112.1L625 C626 A630 A631 R632L625-Q628 WeakPolarHBondContact O-CB 3.34Å; L625-Q628 PolarHBondContact O-N 3.33Å; L625-Q628 VanDerWaalsContact O-N 3.11Å; C626-Q628 VanDerWaalsContact C-N 3.33Å; Q628-A630 PolarHBondContact O-N 3.27Å; Q628-A631 HydrophobicContact CB-CB 4.05Å; Q628-A631 WeakPolarHBondContact O-CB 3.41Å; Q628-A631 PolarHBondContact O-N 2.97Å; Q628-A631 VanDerWaalsContact O-N 3.11Å; Q628-R632 PolarHBondContact O-N 3.25Å
629P86.8Confident86.2Confident100 Ų10048.9 Ų48.965%0.64927%0.274SS*.Hα-helixtrans-57.3-35.6174.2-2634.8000113.2S627 A631 R632 K633S627-P629 WeakPolarHBondContact O-CD 3.37Å; P629-A631 PolarHBondContact O-N 3.48Å; P629-R632 PolarHBondContact O-N 2.97Å; P629-K633 WeakPolarHBondContact O-CB 3.5Å; P629-K633 PolarHBondContact O-N 3.28Å
630A86.2Confident88.3Confident15 Ų1544.6 Ų44.612%0.12425%0.25CS..Hα-helixtrans-60.2-44.3176.400000112.3L598 Q628 K633 I634L598-A630 HydrophobicContact CB-CB 4.28Å; L598-A630 HydrophobicContact CD1-CB 4.37Å; L598-A630 HydrophobicContact CD2-CB 3.78Å; L598-A630 HydrophobicContact CG-CB 4.37Å; Q628-A630 PolarHBondContact O-N 3.27Å; A630-K633 PolarHBondContact O-N 3.3Å; A630-I634 WeakPolarHBondContact O-CG1 3.36Å; A630-I634 PolarHBondContact O-N 3.37Å
631A91.5Very high89.9Confident0 Ų048.3 Ų48.30%027%0.269CS..Hα-helixtrans-61.6-47.6177.900000110.9L583 I587 L625 Q628 P629 K633 I634 V635 L659L583-A631 HydrophobicContact CD1-CB 4.5Å; L583-A631 HydrophobicContact CD2-CB 4.22Å; I587-A631 HydrophobicContact CD1-CB 3.89Å; L625-A631 WeakPolarHBondContact O-CB 3.33Å; Q628-A631 HydrophobicContact CB-CB 4.05Å; Q628-A631 WeakPolarHBondContact O-CB 3.41Å; Q628-A631 PolarHBondContact O-N 2.97Å; Q628-A631 VanDerWaalsContact O-N 3.11Å; P629-A631 PolarHBondContact O-N 3.48Å; A631-K633 PolarHBondContact O-N 2.94Å; A631-I634 PolarHBondContact O-N 2.73Å; A631-V635 WeakPolarHBondContact O-CG2 3.29Å; A631-V635 PolarHBondContact O-N 3.4Å; A631-V635 VanDerWaalsContact O-N 3.1Å; A631-L659 HydrophobicContact CB-CD1 3.81Å
632R93.1Very high90.8Very high58 Ų5845 Ų4522%0.21925%0.252CS..Hα-helixtrans-58.5-45.5176.5-172.9-178175.5-169.3-2.8111.8Q628 P629 I634 V635 V636 V657 L659 E696Q628-R632 PolarHBondContact O-N 3.25Å; P629-R632 PolarHBondContact O-N 2.97Å; R632-I634 PolarHBondContact O-N 3.17Å; R632-V635 PolarHBondContact O-N 2.94Å; R632-V636 HydrophobicContact CG-CG2 4.48Å; R632-V636 WeakPolarHBondContact O-CG2 3.25Å; R632-V636 PolarHBondContact O-N 2.95Å; R632-V657 WeakPolarHBondContact CD-O 3.33Å; R632-V657 HydrophobicContact CG-CG2 3.84Å; R632-V657 WeakPolarHBondContact CG-O 3.45Å; R632-V657 PolarHBondContact NE-O 2.64Å; R632-L659 HydrophobicContact CB-CD1 4.43Å; R632-E696 IonicContact CZ-OE2 3.31Å; R632-E696 IonicContact NH1-OE1 2.84Å; R632-E696 IonicContact NH1-OE2 3.76Å; R632-E696 PolarHBondContact NH1-OE2 2.87Å; R632-E696 IonicContact NH2-OE2 3.05Å; R632-E696 PolarHBondContact NH2-OE2 3.03Å
633K92.5Very high91.4Very high143 Ų14342.8 Ų42.862%0.62224%0.238SC*.Hα-helixtrans-61.9-40.6179.3-170.3177-178.5-179.50112.4P629 A630 A631 S637P629-K633 WeakPolarHBondContact O-CB 3.5Å; P629-K633 PolarHBondContact O-N 3.28Å; A630-K633 PolarHBondContact O-N 3.3Å; A631-K633 PolarHBondContact O-N 2.94Å; K633-S637 WeakPolarHBondContact O-CB 3.43Å; K633-S637 PolarHBondContact O-N 3.18Å
634I94Very high91.7Very high10 Ų1046.3 Ų46.35%0.05124%0.243CC..Hα-helixtrans-62.7-46.1176.2-70.3166.5000110.7L557 L583 R586 I587 K590 A630 A631 R632 S637 E638L557-I634 HydrophobicContact CD1-CG2 3.81Å; L583-I634 HydrophobicContact CD1-CG2 4.23Å; R586-I634 HydrophobicContact CB-CG2 4.49Å; I587-I634 HydrophobicContact CG1-CD1 3.5Å; K590-I634 HydrophobicContact CD-CD1 4.28Å; K590-I634 HydrophobicContact CD-CG1 4.41Å; A630-I634 WeakPolarHBondContact O-CG1 3.36Å; A630-I634 PolarHBondContact O-N 3.37Å; A631-I634 PolarHBondContact O-N 2.73Å; R632-I634 PolarHBondContact O-N 3.17Å; I634-S637 PolarHBondContact O-N 3.13Å; I634-E638 PolarHBondContact O-N 3.45Å
635V96Very high92.1Very high0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-64.3-48.6179.41750000110.9L557 V576 L583 A631 R632 S637 E638 L639 V657 L659L557-V635 HydrophobicContact CD1-CG2 4.37Å; V576-V635 HydrophobicContact CG1-CG1 4.19Å; V576-V635 HydrophobicContact CG2-CG1 4.41Å; L583-V635 HydrophobicContact CD1-CG2 4.02Å; L583-V635 HydrophobicContact CD2-CG2 4.41Å; A631-V635 WeakPolarHBondContact O-CG2 3.29Å; A631-V635 PolarHBondContact O-N 3.4Å; A631-V635 VanDerWaalsContact O-N 3.1Å; R632-V635 PolarHBondContact O-N 2.94Å; V635-S637 VanDerWaalsContact C-N 3.32Å; V635-S637 PolarHBondContact O-N 3.07Å; V635-E638 WeakPolarHBondContact O-CB 3.37Å; V635-E638 PolarHBondContact O-N 3.42Å; V635-E638 VanDerWaalsContact O-N 3.16Å; V635-L639 HydrophobicContact CG1-CD1 4.17Å; V635-L639 HydrophobicContact CG1-CG 4.29Å; V635-L639 WeakPolarHBondContact O-CG 3.35Å; V635-L639 PolarHBondContact O-N 3.16Å; V635-V657 HydrophobicContact CB-CG2 4.48Å; V635-V657 HydrophobicContact CG1-CG2 4.18Å; V635-L659 HydrophobicContact CB-CD2 4.1Å; V635-L659 HydrophobicContact CG1-CD2 4.06Å; V635-L659 HydrophobicContact CG2-CD1 4.38Å; V635-L659 HydrophobicContact CG2-CD2 3.93Å
636V96.1Very high92.2Very high23 Ų2356.6 Ų56.614%0.13928%0.28CS..Hα-helixtrans-56.9-46.2178.4173.80000111.4R632 E638 L639 E640 V657R632-V636 HydrophobicContact CG-CG2 4.48Å; R632-V636 WeakPolarHBondContact O-CG2 3.25Å; R632-V636 PolarHBondContact O-N 2.95Å; V636-E638 VanDerWaalsContact C-N 3.33Å; V636-E638 PolarHBondContact O-N 3.05Å; V636-L639 PolarHBondContact O-N 3.15Å; V636-E640 PolarHBondContact O-N 3.5Å; V636-V657 HydrophobicContact CG2-CB 4.34Å; V636-V657 HydrophobicContact CG2-CG1 4.12Å; V636-V657 HydrophobicContact CG2-CG2 3.62Å
637S95.6Very high92.1Very high54 Ų5458.5 Ų58.538%0.37830%0.302SS..Hα-helixtrans-62.6-38.8179.2-1790000112.4K633 I634 V635 N641K633-S637 WeakPolarHBondContact O-CB 3.43Å; K633-S637 PolarHBondContact O-N 3.18Å; I634-S637 PolarHBondContact O-N 3.13Å; V635-S637 VanDerWaalsContact C-N 3.32Å; V635-S637 PolarHBondContact O-N 3.07Å; S637-N641 WeakPolarHBondContact O-CB 3.19Å; S637-N641 PolarHBondContact O-N 2.79Å; S637-N641 PolarHBondContact O-ND2 3.12Å; S637-N641 VanDerWaalsContact O-ND2 3.13Å
638E95.1Very high92.2Very high40 Ų4055 Ų5519%0.18728%0.277CS..Hα-helixtrans-64.1-45.4174.7-177.671.7167.200111.7S555 L557 R586 I634 V635 V636 N641 L642S555-E638 VanDerWaalsContact OG-CG 3.3Å; S555-E638 WeakPolarHBondContact OG-CG 3.31Å; L557-E638 HydrophobicContact CD1-CB 3.85Å; L557-E638 HydrophobicContact CD1-CG 4Å; L557-E638 HydrophobicContact CG-CG 4.46Å; R586-E638 IonicContact CZ-OE1 2.73Å; R586-E638 IonicContact CZ-OE2 3.58Å; R586-E638 IonicContact NH1-OE1 2.8Å; R586-E638 PolarHBondContact NH1-OE1 3.39Å; R586-E638 IonicContact NH1-OE2 3.43Å; R586-E638 PolarHBondContact NH1-OE2 3.17Å; R586-E638 IonicContact NH2-OE1 3.91Å; R586-E638 PolarHBondContact NH2-OE1 3.47Å; R586-E638 IonicContact NH2-OE2 2.82Å; I634-E638 PolarHBondContact O-N 3.45Å; V635-E638 WeakPolarHBondContact O-CB 3.37Å; V635-E638 PolarHBondContact O-N 3.42Å; V635-E638 VanDerWaalsContact O-N 3.16Å; V636-E638 VanDerWaalsContact C-N 3.33Å; V636-E638 PolarHBondContact O-N 3.05Å; E638-N641 PolarHBondContact O-N 3.19Å; E638-L642 VanDerWaalsContact O-CB 3.28Å; E638-L642 WeakPolarHBondContact O-CB 3.39Å; E638-L642 PolarHBondContact O-N 3.24Å
639L97.2Very high92.2Very high1 Ų158.4 Ų58.41%0.00529%0.29CS..Hα-helixtrans-63.4-44.7179.1-64.2-174.6000111.2Y552 V558 I561 V576 V635 V636 N641 L642 G643 I654 V657Y552-L639 HydrophobicContact CD1-CB 4.06Å; Y552-L639 HydrophobicContact CD1-CD2 3.76Å; Y552-L639 HydrophobicContact CD1-CG 4.41Å; Y552-L639 HydrophobicContact CE1-CB 4.1Å; Y552-L639 VanDerWaalsContact CE1-O 3.26Å; Y552-L639 WeakPolarHBondContact CE1-O 3.3Å; Y552-L639 HydrophobicContact CG-CD2 4.05Å; V558-L639 HydrophobicContact CG2-CD2 3.78Å; I561-L639 HydrophobicContact CD1-CD1 4.25Å; V576-L639 HydrophobicContact CG2-CD1 4.22Å; V635-L639 HydrophobicContact CG1-CD1 4.17Å; V635-L639 HydrophobicContact CG1-CG 4.29Å; V635-L639 WeakPolarHBondContact O-CG 3.35Å; V635-L639 PolarHBondContact O-N 3.16Å; V636-L639 PolarHBondContact O-N 3.15Å; L639-N641 PolarHBondContact O-N 3.33Å; L639-L642 PolarHBondContact O-N 3.12Å; L639-G643 PolarHBondContact O-N 3.41Å; L639-I654 HydrophobicContact CD1-CD1 4.03Å; L639-V657 HydrophobicContact CD1-CG1 3.73Å
640E96.5Very high92.4Very high69 Ų6956.3 Ų56.332%0.32229%0.287SS..Hα-helixtrans-58.1-49.1176.2176.6168.9-164.900111.7V636 L642 G643 R644 I653V636-E640 PolarHBondContact O-N 3.5Å; E640-L642 PolarHBondContact O-N 3.23Å; E640-G643 PolarHBondContact O-N 3.48Å; E640-R644 WeakPolarHBondContact O-CG 3.37Å; E640-R644 PolarHBondContact O-N 3.31Å; E640-R644 IonicContact OE1-CZ 3.81Å; E640-R644 IonicContact OE1-NE 3.86Å; E640-R644 PolarHBondContact OE1-NE 3Å; E640-R644 VanDerWaalsContact OE1-NE 3.11Å; E640-R644 IonicContact OE1-NH2 2.77Å; E640-R644 PolarHBondContact OE1-NH2 3.37Å; E640-I653 HydrophobicContact CB-CG2 4.12Å; E640-I653 HydrophobicContact CG-CG2 3.99Å
641N95.5Very high92.6Very high96 Ų9657.4 Ų57.451%0.51329%0.289SS..Hα-helixtrans-60.9-45178.5-73.1-27.3000111.7S637 E638 L639 K645S637-N641 WeakPolarHBondContact O-CB 3.19Å; S637-N641 PolarHBondContact O-N 2.79Å; S637-N641 PolarHBondContact O-ND2 3.12Å; S637-N641 VanDerWaalsContact O-ND2 3.13Å; E638-N641 PolarHBondContact O-N 3.19Å; L639-N641 PolarHBondContact O-N 3.33Å; N641-K645 WeakPolarHBondContact O-CB 3.29Å; N641-K645 PolarHBondContact O-N 2.87Å
642L93.9Very high92.6Very high21 Ų2157.8 Ų57.811%0.1129%0.291CS..Hα-helixtrans-65.8-44.9179.7-179.458.9000111.7I551 E638 L639 E640 K645 R646I551-L642 WeakPolarHBondContact O-CD2 3.02Å; E638-L642 VanDerWaalsContact O-CB 3.28Å; E638-L642 WeakPolarHBondContact O-CB 3.39Å; E638-L642 PolarHBondContact O-N 3.24Å; L639-L642 PolarHBondContact O-N 3.12Å; E640-L642 PolarHBondContact O-N 3.23Å; L642-K645 PolarHBondContact O-N 3Å; L642-R646 HydrophobicContact CD1-CG 3.91Å; L642-R646 HydrophobicContact CG-CG 4.48Å; L642-R646 WeakPolarHBondContact O-CB 3.44Å; L642-R646 VanDerWaalsContact O-CG 3.22Å; L642-R646 WeakPolarHBondContact O-CG 3.47Å; L642-R646 PolarHBondContact O-N 3.26Å
643G92.9Very high92.8Very high0 Ų055.7 Ų55.70%028%0.284CS..Hα-helixtrans-59.3-50.5178.800000111.7L639 E640 K645 R646 G647 L648L639-G643 PolarHBondContact O-N 3.41Å; E640-G643 PolarHBondContact O-N 3.48Å; G643-K645 PolarHBondContact O-N 3.15Å; G643-R646 CarbonylContact O-C 3.59Å; G643-R646 PolarHBondContact O-N 2.9Å; G643-G647 PolarHBondContact O-N 2.85Å; G643-L648 WeakPolarHBondContact O-CB 3.48Å; G643-L648 PolarHBondContact O-N 3.39Å
644R93.5Very high93Very high141 Ų14149 Ų4953%0.53226%0.255SS..Hα-helixtrans-61-46.3176.6-68.4-179.9-172.1-78.51.9111.8E640 R646 G647 I653E640-R644 WeakPolarHBondContact O-CG 3.37Å; E640-R644 PolarHBondContact O-N 3.31Å; E640-R644 IonicContact OE1-CZ 3.81Å; E640-R644 IonicContact OE1-NE 3.86Å; E640-R644 PolarHBondContact OE1-NE 3Å; E640-R644 VanDerWaalsContact OE1-NE 3.11Å; E640-R644 IonicContact OE1-NH2 2.77Å; E640-R644 PolarHBondContact OE1-NH2 3.37Å; R644-R646 PolarHBondContact O-N 3.15Å; R644-G647 PolarHBondContact O-N 3.46Å; R644-I653 HydrophobicContact CG-CD1 4Å; R644-I653 HydrophobicContact CG-CG1 4.45Å
645K91.9Very high93.1Very high175 Ų17553.2 Ų53.276%0.76127%0.273SS*.Hα-helixtrans-58.7-31.5177.5-177.8177.9178.7-178.50112.5N641 L642 G643N641-K645 WeakPolarHBondContact O-CB 3.29Å; N641-K645 PolarHBondContact O-N 2.87Å; L642-K645 PolarHBondContact O-N 3Å; G643-K645 PolarHBondContact O-N 3.15Å
646R87.1Confident93.1Very high97 Ų9757 Ų5737%0.36629%0.287SS..THydrogen-bonded Turntrans-94.910.7-179.4-64.1-74.9-174.5170.2-0.8113.3E415 I551 L642 G643 R644E415-R646 IonicContact OE1-CZ 2.73Å; E415-R646 IonicContact OE1-NH1 3.51Å; E415-R646 PolarHBondContact OE1-NH1 3.41Å; E415-R646 IonicContact OE1-NH2 3.22Å; E415-R646 PolarHBondContact OE1-NH2 3.08Å; E415-R646 IonicContact OE2-CZ 3.14Å; E415-R646 IonicContact OE2-NH1 2.64Å; E415-R646 IonicContact OE2-NH2 3.49Å; E415-R646 PolarHBondContact OE2-NH2 3.11Å; I551-R646 HydrophobicContact CG2-CB 3.8Å; I551-R646 HydrophobicContact CG2-CG 3.98Å; L642-R646 HydrophobicContact CD1-CG 3.91Å; L642-R646 HydrophobicContact CG-CG 4.48Å; L642-R646 WeakPolarHBondContact O-CB 3.44Å; L642-R646 VanDerWaalsContact O-CG 3.22Å; L642-R646 WeakPolarHBondContact O-CG 3.47Å; L642-R646 PolarHBondContact O-N 3.26Å; G643-R646 CarbonylContact O-C 3.59Å; G643-R646 PolarHBondContact O-N 2.9Å; R644-R646 PolarHBondContact O-N 3.15Å
647G85.4Confident93.1Very high53 Ų5355.9 Ų55.955%0.54628%0.281SS..THydrogen-bonded Turntrans77.222.5172.700000114.7G643 R644G643-G647 PolarHBondContact O-N 2.85Å; R644-G647 PolarHBondContact O-N 3.46Å
648L88.7Confident93.2Very high11 Ų1156.3 Ų56.36%0.05827%0.274CS..  trans-67136.6166.7-68.2-174.6000109.9L548 I551 Y552 G643 E652 I653L548-L648 HydrophobicContact CD1-CD2 4.16Å; L548-L648 HydrophobicContact CG-CD1 4.21Å; I551-L648 HydrophobicContact CD1-CD1 4.31Å; I551-L648 HydrophobicContact CD1-CD2 3.55Å; I551-L648 HydrophobicContact CD1-CG 3.96Å; I551-L648 HydrophobicContact CG2-CD1 4.3Å; Y552-L648 HydrophobicContact CE1-CD1 4.02Å; Y552-L648 HydrophobicContact CE2-CD1 4Å; Y552-L648 VanDerWaalsContact CZ-CD1 3.49Å; Y552-L648 VanDerWaalsContact OH-CD1 3.22Å; Y552-L648 WeakPolarHBondContact OH-CD1 3.45Å; G643-L648 WeakPolarHBondContact O-CB 3.48Å; G643-L648 PolarHBondContact O-N 3.39Å; L648-E652 WeakPolarHBondContact CA-OE2 3.46Å; L648-E652 HydrophobicContact CB-CB 3.97Å; L648-E652 HydrophobicContact CD2-CB 4.13Å; L648-E652 HydrophobicContact CG-CB 4.43Å; L648-I653 HydrophobicContact CB-CD1 3.8Å
649K87.3Confident93.3Very high119 Ų11954.5 Ų54.552%0.51727%0.266SS..  trans-67.6160.3174.2-64178.1178.7-179.50110F651 E652 I653K649-F651 VanDerWaalsContact C-N 3.25Å; K649-F651 HydrophobicContact CB-CD1 4.06Å; K649-F651 HydrophobicContact CB-CE1 3.82Å; K649-F651 HydrophobicContact CB-CE2 4.49Å; K649-F651 HydrophobicContact CB-CZ 4.07Å; K649-F651 HydrophobicContact CD-CD1 4.46Å; K649-F651 HydrophobicContact CD-CE1 3.45Å; K649-F651 VanDerWaalsContact CD-CE1 3.45Å; K649-F651 HydrophobicContact CD-CE2 4.26Å; K649-F651 HydrophobicContact CD-CZ 3.33Å; K649-F651 HydrophobicContact CG-CE1 4.3Å; K649-F651 HydrophobicContact CG-CZ 4.36Å; K649-F651 PolarHBondContact O-N 3.31Å; K649-E652 HydrophobicContact CB-CG 4.25Å; K649-E652 PolarHBondContact N-OE2 3.44Å; K649-E652 WeakPolarHBondContact O-CA 3.27Å; K649-E652 WeakPolarHBondContact O-CB 3.47Å; K649-E652 PolarHBondContact O-N 2.99Å; K649-I653 PolarHBondContact O-N 2.81Å
650G90.1Very high93.2Very high56 Ų5654.6 Ų54.658%0.57727%0.266SS*.G310 helixtrans-53-41.3-178.200000113.8E652 I653G650-E652 VanDerWaalsContact C-N 3.3Å; G650-E652 PolarHBondContact O-N 3.09Å; G650-I653 WeakPolarHBondContact O-CB 3.37Å; G650-I653 PolarHBondContact O-N 3.18Å
651F90.5Very high93Very high39 Ų3953.2 Ų53.217%0.17126%0.264CS..G310 helixtrans-74.7-13.9177.162.3-102.7000114.3L537 Q539 E541 I543 P572 K649 I653L537-F651 HydrophobicContact CD1-CB 4.2Å; L537-F651 HydrophobicContact CD1-CD2 4.4Å; Q539-F651 VanDerWaalsContact NE2-CB 3.25Å; E541-F651 HydrophobicContact CB-CD2 4.02Å; E541-F651 HydrophobicContact CB-CE1 4.3Å; E541-F651 HydrophobicContact CB-CE2 3.78Å; E541-F651 HydrophobicContact CB-CG 4.39Å; E541-F651 HydrophobicContact CB-CZ 3.91Å; E541-F651 HydrophobicContact CG-CD1 4.1Å; E541-F651 HydrophobicContact CG-CD2 4.46Å; E541-F651 HydrophobicContact CG-CE1 3.77Å; E541-F651 HydrophobicContact CG-CE2 4.17Å; E541-F651 HydrophobicContact CG-CG 4.42Å; E541-F651 HydrophobicContact CG-CZ 3.79Å; E541-F651 WeakPolarHBondContact OE2-CZ 3.45Å; I543-F651 HydrophobicContact CD1-CD2 4.19Å; I543-F651 VanDerWaalsContact CD1-O 3.28Å; I543-F651 WeakPolarHBondContact CD1-O 3.48Å; I543-F651 HydrophobicContact CG1-CD2 4.21Å; I543-F651 HydrophobicContact CG1-CE2 4.42Å; P572-F651 WeakPolarHBondContact CD-O 3.34Å; K649-F651 VanDerWaalsContact C-N 3.25Å; K649-F651 HydrophobicContact CB-CD1 4.06Å; K649-F651 HydrophobicContact CB-CE1 3.82Å; K649-F651 HydrophobicContact CB-CE2 4.49Å; K649-F651 HydrophobicContact CB-CZ 4.07Å; K649-F651 HydrophobicContact CD-CD1 4.46Å; K649-F651 HydrophobicContact CD-CE1 3.45Å; K649-F651 VanDerWaalsContact CD-CE1 3.45Å; K649-F651 HydrophobicContact CD-CE2 4.26Å; K649-F651 HydrophobicContact CD-CZ 3.33Å; K649-F651 HydrophobicContact CG-CE1 4.3Å; K649-F651 HydrophobicContact CG-CZ 4.36Å; K649-F651 PolarHBondContact O-N 3.31Å; F651-I653 VanDerWaalsContact C-N 3.34Å
652E92.7Very high92.7Very high8 Ų852.9 Ų52.94%0.03726%0.262CS..G310 helixtrans-87.1-6.5174.3-64.6176.5125.500112R547 L548 Y552 L648 K649 G650R547-E652 IonicContact CZ-OE1 3.08Å; R547-E652 IonicContact NH1-OE1 2.87Å; R547-E652 PolarHBondContact NH1-OE1 3.47Å; R547-E652 IonicContact NH1-OE2 3.97Å; R547-E652 IonicContact NH2-OE1 2.74Å; R547-E652 IonicContact NH2-OE2 2.59Å; L548-E652 HydrophobicContact CD1-CB 4.21Å; L548-E652 HydrophobicContact CD1-CG 4.37Å; L548-E652 HydrophobicContact CD2-CB 4.4Å; L548-E652 VanDerWaalsContact CD2-O 3.25Å; L548-E652 WeakPolarHBondContact CD2-O 3.41Å; L548-E652 HydrophobicContact CG-CB 4.48Å; Y552-E652 PolarHBondContact OH-O 2.88Å; Y552-E652 VanDerWaalsContact OH-O 3.06Å; L648-E652 WeakPolarHBondContact CA-OE2 3.46Å; L648-E652 HydrophobicContact CB-CB 3.97Å; L648-E652 HydrophobicContact CD2-CB 4.13Å; L648-E652 HydrophobicContact CG-CB 4.43Å; K649-E652 HydrophobicContact CB-CG 4.25Å; K649-E652 PolarHBondContact N-OE2 3.44Å; K649-E652 WeakPolarHBondContact O-CA 3.27Å; K649-E652 WeakPolarHBondContact O-CB 3.47Å; K649-E652 PolarHBondContact O-N 2.99Å; G650-E652 VanDerWaalsContact C-N 3.3Å; G650-E652 PolarHBondContact O-N 3.09Å
653I96.3Very high92.7Very high14 Ų1454.6 Ų54.67%0.07227%0.274CS..SBendtrans-78.1126.5-180-57.2-57000110.3Y552 E640 R644 L648 K649 G650 F651 K655Y552-I653 WeakPolarHBondContact OH-CA 3.34Å; E640-I653 HydrophobicContact CB-CG2 4.12Å; E640-I653 HydrophobicContact CG-CG2 3.99Å; R644-I653 HydrophobicContact CG-CD1 4Å; R644-I653 HydrophobicContact CG-CG1 4.45Å; L648-I653 HydrophobicContact CB-CD1 3.8Å; K649-I653 PolarHBondContact O-N 2.81Å; G650-I653 WeakPolarHBondContact O-CB 3.37Å; G650-I653 PolarHBondContact O-N 3.18Å; F651-I653 VanDerWaalsContact C-N 3.34Å; I653-K655 PolarHBondContact O-N 2.96Å
654I96.7Very high92.7Very high3 Ų354.6 Ų54.62%0.01527%0.274CS..  trans-63.4122176.9-67.8166.2000110Y552 I561 V563 A574 L639 R656 V657Y552-I654 HydrophobicContact CD2-CD1 3.28Å; Y552-I654 HydrophobicContact CD2-CG1 4.19Å; Y552-I654 HydrophobicContact CE1-CD1 4.47Å; Y552-I654 HydrophobicContact CE2-CD1 3.16Å; Y552-I654 HydrophobicContact CE2-CG1 3.54Å; Y552-I654 HydrophobicContact CG-CD1 4.03Å; Y552-I654 PolarHBondContact OH-N 3Å; I561-I654 HydrophobicContact CD1-CD1 3.72Å; V563-I654 HydrophobicContact CG2-CD1 4Å; A574-I654 HydrophobicContact CB-CD1 3.72Å; A574-I654 HydrophobicContact CB-CG1 4.35Å; A574-I654 HydrophobicContact CB-CG2 4.11Å; L639-I654 HydrophobicContact CD1-CD1 4.03Å; I654-R656 VanDerWaalsContact CG2-O 3.28Å; I654-R656 WeakPolarHBondContact CG2-O 3.38Å; I654-V657 HydrophobicContact CG2-CG1 3.69Å
655K95.6Very high92.5Very high97 Ų9749.6 Ų49.642%0.42226%0.259SS..  trans-80.6-37.7-176.8-169.771.1171.6-163.60113.3F571 P572 I653 A697F571-K655 HydrophobicContact CB-CB 3.87Å; F571-K655 HydrophobicContact CB-CG 4.41Å; F571-K655 HydrophobicContact CD1-CB 4.42Å; F571-K655 HydrophobicContact CD1-CG 4.15Å; F571-K655 HydrophobicContact CD2-CB 3.56Å; F571-K655 HydrophobicContact CD2-CG 3.97Å; F571-K655 HydrophobicContact CE2-CB 4.29Å; F571-K655 HydrophobicContact CE2-CG 4.36Å; F571-K655 HydrophobicContact CG-CB 3.67Å; F571-K655 HydrophobicContact CG-CD 4.5Å; F571-K655 HydrophobicContact CG-CG 3.9Å; P572-K655 PolarHBondContact O-N 3.04Å; I653-K655 PolarHBondContact O-N 2.96Å; K655-A697 HydrophobicContact CG-CB 3.94Å
656R95.7Very high92Very high80 Ų8042.3 Ų42.330%0.30223%0.229SC..EExtended strand (participates in β ladder)trans-148.5150.1-177.2-69.5-62.5-176.8-100.1-0.8110.8I573 A574 I654 L693 A697I573-R656 WeakPolarHBondContact CA-O 3.5Å; I573-R656 HydrophobicContact CG2-CB 4.26Å; A574-R656 PolarHBondContact N-O 3.02Å; A574-R656 VanDerWaalsContact N-O 3.1Å; I654-R656 VanDerWaalsContact CG2-O 3.28Å; I654-R656 WeakPolarHBondContact CG2-O 3.38Å; R656-L693 HydrophobicContact CB-CD2 4.08Å; R656-A697 HydrophobicContact CB-CB 4.38Å; R656-A697 HydrophobicContact CG-CB 3.61Å
657V97.1Very high91.8Very high0 Ų045.2 Ų45.20%025%0.247CC..EExtended strand (participates in β ladder)trans-127.9148.2175.6-55.40000112.6A574 V576 R632 V635 V636 L639 I654 L659A574-V657 HydrophobicContact CB-CG1 4.29Å; A574-V657 CarbonylContact O-C 3.55Å; A574-V657 WeakPolarHBondContact O-CA 3.47Å; V576-V657 HydrophobicContact CG2-CB 4.07Å; V576-V657 HydrophobicContact CG2-CG1 3.97Å; R632-V657 WeakPolarHBondContact CD-O 3.33Å; R632-V657 HydrophobicContact CG-CG2 3.84Å; R632-V657 WeakPolarHBondContact CG-O 3.45Å; R632-V657 PolarHBondContact NE-O 2.64Å; V635-V657 HydrophobicContact CB-CG2 4.48Å; V635-V657 HydrophobicContact CG1-CG2 4.18Å; V636-V657 HydrophobicContact CG2-CB 4.34Å; V636-V657 HydrophobicContact CG2-CG1 4.12Å; V636-V657 HydrophobicContact CG2-CG2 3.62Å; L639-V657 HydrophobicContact CD1-CG1 3.73Å; I654-V657 HydrophobicContact CG2-CG1 3.69Å; V657-L659 HydrophobicContact CG2-CD2 3.98Å
658Y97.1Very high91.9Very high62 Ų6245.7 Ų45.724%0.24324%0.237CC..EExtended strand (participates in β ladder)trans-100.4131.1160.2171.5-111.1000108.7A574 V575 V576 F686 R689A574-Y658 PolarHBondContact O-N 3.42Å; V575-Y658 WeakPolarHBondContact CA-O 3.32Å; V575-Y658 HydrophobicContact CG1-CD1 3.92Å; V575-Y658 HydrophobicContact CG2-CD1 4.44Å; V576-Y658 PolarHBondContact N-O 3.11Å; Y658-F686 HydrophobicContact CD1-CD1 4.2Å; Y658-F686 HydrophobicContact CD1-CE1 4.39Å; Y658-F686 AromaticContact CE1-CD1 3.98Å; Y658-F686 HydrophobicContact CE1-CD1 3.98Å; Y658-F686 AromaticContact CE1-CE1 3.89Å; Y658-F686 HydrophobicContact CE1-CE1 3.89Å; Y658-R689 HydrophobicContact CD1-CB 4.22Å; Y658-R689 HydrophobicContact CD1-CG 4.18Å; Y658-R689 HydrophobicContact CD2-CB 4.46Å; Y658-R689 HydrophobicContact CD2-CG 4.24Å; Y658-R689 HydrophobicContact CE1-CG 4.08Å; Y658-R689 HydrophobicContact CE2-CG 4.13Å; Y658-R689 HydrophobicContact CG-CB 4.17Å; Y658-R689 HydrophobicContact CG-CG 4.28Å
659L97Very high91.7Very high3 Ų346.8 Ų46.82%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-88.9113.8174.5-58.6-173.7000109.1V576 L583 C626 A631 R632 V635 V657V576-L659 HydrophobicContact CB-CD2 4.05Å; V576-L659 HydrophobicContact CG1-CD2 4.3Å; V576-L659 CarbonylContact O-C 3.56Å; V576-L659 WeakPolarHBondContact O-CA 3.34Å; L583-L659 HydrophobicContact CD2-CD1 4.27Å; C626-L659 HydrophobicContact CB-CB 3.86Å; C626-L659 WeakPolarHBondContact CB-O 3.43Å; A631-L659 HydrophobicContact CB-CD1 3.81Å; R632-L659 HydrophobicContact CB-CD1 4.43Å; V635-L659 HydrophobicContact CB-CD2 4.1Å; V635-L659 HydrophobicContact CG1-CD2 4.06Å; V635-L659 HydrophobicContact CG2-CD1 4.38Å; V635-L659 HydrophobicContact CG2-CD2 3.93Å; V657-L659 HydrophobicContact CG2-CD2 3.98Å
660S95.3Very high91.8Very high2 Ų241.5 Ų41.51%0.01423%0.229CC..  trans-87.7127.6177.2-177.10000110.2V576 P578 I662V576-S660 PolarHBondContact O-N 2.82Å; P578-S660 WeakPolarHBondContact CD-O 3.37Å; S660-I662 VanDerWaalsContact C-N 3.27Å; S660-I662 PolarHBondContact OG-N 2.89Å; S660-I662 VanDerWaalsContact OG-N 3.09Å; S660-I662 PolarHBondContact OG-O 3.46Å
661S92.2Very high91.6Very high40 Ų4039 Ų3928%0.2820%0.202SC..SBendtrans-78.5-13.9165.852.20000112.9
662I90.9Very high91.2Very high90 Ų9039 Ų3946%0.46221%0.205SC..SBendtrans-94.4116.6-179.7-57.2171.4000108S660S660-I662 VanDerWaalsContact C-N 3.27Å; S660-I662 PolarHBondContact OG-N 2.89Å; S660-I662 VanDerWaalsContact OG-N 3.09Å; S660-I662 PolarHBondContact OG-O 3.46Å
663P92.1Very high90.3Very high57 Ų5739.2 Ų39.237%0.3721%0.208SC..  trans-68.6149.8175.228.2-33.3000110.9V577 T665 N668V577-P663 HydrophobicContact CG1-CB 4.43Å; P663-T665 HydrophobicContact CB-CG2 4.04Å; P663-T665 HydrophobicContact CG-CG2 3.99Å; P663-T665 PolarHBondContact O-N 2.88Å; P663-N668 PolarHBondContact O-ND2 3Å
664F93.4Very high89.1Confident0 Ų039 Ų390%021%0.207CC..  trans-82.8113.2172.8-39.3-37000108.8R341 Q560 F562 V575 V577 L670 V671 L677 L682 F686R341-F664 PolarHBondContact NH2-O 2.9Å; Q560-F664 HydrophobicContact CB-CD2 3.66Å; Q560-F664 HydrophobicContact CB-CE2 3.94Å; Q560-F664 HydrophobicContact CB-CG 4.48Å; Q560-F664 HydrophobicContact CG-CD2 4.48Å; Q560-F664 PolarHBondContact NE2-O 3.13Å; Q560-F664 PolarHBondContact OE1-O 2.88Å; F562-F664 HydrophobicContact CB-CE2 4.04Å; F562-F664 HydrophobicContact CB-CZ 4.26Å; V575-F664 HydrophobicContact CB-CZ 4.3Å; V575-F664 HydrophobicContact CG1-CE1 4.17Å; V575-F664 HydrophobicContact CG1-CZ 3.82Å; V577-F664 HydrophobicContact CG2-CD1 3.86Å; V577-F664 HydrophobicContact CG2-CD2 4.21Å; V577-F664 HydrophobicContact CG2-CE1 3.63Å; V577-F664 HydrophobicContact CG2-CE2 4.01Å; V577-F664 HydrophobicContact CG2-CG 4.15Å; V577-F664 HydrophobicContact CG2-CZ 3.73Å; F664-L670 HydrophobicContact CB-CB 3.86Å; F664-L670 HydrophobicContact CD1-CB 4.38Å; F664-L670 HydrophobicContact CD1-CD1 3.8Å; F664-L670 HydrophobicContact CG-CB 4.44Å; F664-V671 VanDerWaalsContact C-CG2 3.42Å; F664-V671 HydrophobicContact CB-CG2 3.48Å; F664-V671 VanDerWaalsContact CB-CG2 3.48Å; F664-V671 VanDerWaalsContact O-CG2 3.3Å; F664-V671 WeakPolarHBondContact O-CG2 3.46Å; F664-L677 HydrophobicContact CD2-CD2 3.72Å; F664-L677 HydrophobicContact CE2-CD2 4.37Å; F664-L682 HydrophobicContact CD1-CD2 3.83Å; F664-L682 HydrophobicContact CD2-CD2 4.29Å; F664-L682 HydrophobicContact CE1-CD2 3.82Å; F664-L682 HydrophobicContact CE2-CD2 4.27Å; F664-L682 HydrophobicContact CG-CD2 4.07Å; F664-L682 HydrophobicContact CZ-CD2 4.03Å; F664-F686 HydrophobicContact CD1-CE2 4.36Å; F664-F686 AromaticContact CE1-CE2 3.65Å; F664-F686 HydrophobicContact CE1-CE2 3.65Å; F664-F686 AromaticContact CE1-CZ 3.9Å; F664-F686 HydrophobicContact CE1-CZ 3.9Å; F664-F686 HydrophobicContact CZ-CE2 4.41Å
665T89.4Confident88.2Confident35 Ų3541 Ų4122%0.21522%0.215CC..  trans-128.5168.1-172.466.50000110.4P663 E667 N668 L670 V671P663-T665 HydrophobicContact CB-CG2 4.04Å; P663-T665 HydrophobicContact CG-CG2 3.99Å; P663-T665 PolarHBondContact O-N 2.88Å; T665-E667 VanDerWaalsContact C-N 3.33Å; T665-E667 VanDerWaalsContact CB-OE2 3.27Å; T665-E667 WeakPolarHBondContact CB-OE2 3.43Å; T665-N668 PolarHBondContact N-OD1 2.71Å; T665-N668 PolarHBondContact O-OD1 3.41Å; T665-N668 PolarHBondContact OG1-N 2.73Å; T665-N668 PolarHBondContact OG1-ND2 2.74Å; T665-N668 PolarHBondContact OG1-OD1 3.17Å; T665-L670 PolarHBondContact O-N 3.42Å; T665-V671 WeakPolarHBondContact O-CB 3.3Å; T665-V671 PolarHBondContact O-N 2.9Å
666V81.4Confident87.5Confident22 Ų2239.2 Ų39.213%0.13321%0.208CC..THydrogen-bonded Turntrans-74.7-36.9176.3-171.40000109.1T155 N668 G669 V671 F675T155-V666 HydrophobicContact CG2-CG1 3.37Å; V666-N668 VanDerWaalsContact C-N 3.33Å; V666-N668 PolarHBondContact O-N 2.85Å; V666-G669 PolarHBondContact O-N 2.95Å; V666-V671 WeakPolarHBondContact CA-O 3.47Å; V666-V671 HydrophobicContact CG2-CG1 4.39Å; V666-F675 HydrophobicContact CG2-CD1 4.3Å; V666-F675 HydrophobicContact CG2-CE1 4.15Å
667E82.9Confident87.1Confident158 Ų15837.6 Ų37.674%0.73821%0.205SC*.THydrogen-bonded Turntrans-62.1-35.8-178.6-62.381176.400112.7T665T665-E667 VanDerWaalsContact C-N 3.33Å; T665-E667 VanDerWaalsContact CB-OE2 3.27Å; T665-E667 WeakPolarHBondContact CB-OE2 3.43Å
668N88.2Confident86.6Confident63 Ų6338.5 Ų38.534%0.33721%0.212SC..THydrogen-bonded Turntrans-94.18.3173.968.911.1000114.1P663 T665 V666 L670P663-N668 PolarHBondContact O-ND2 3Å; T665-N668 PolarHBondContact N-OD1 2.71Å; T665-N668 PolarHBondContact O-OD1 3.41Å; T665-N668 PolarHBondContact OG1-N 2.73Å; T665-N668 PolarHBondContact OG1-ND2 2.74Å; T665-N668 PolarHBondContact OG1-OD1 3.17Å; V666-N668 VanDerWaalsContact C-N 3.33Å; V666-N668 PolarHBondContact O-N 2.85Å; N668-L670 PolarHBondContact O-N 3Å; N668-L670 VanDerWaalsContact O-N 3.08Å; N668-L670 WeakPolarHBondContact OD1-CB 3.29Å; N668-L670 WeakPolarHBondContact OD1-CG 3.48Å; N668-L670 PolarHBondContact OD1-N 3.33Å
669G84.1Confident86.2Confident35 Ų3536.7 Ų36.736%0.36121%0.205SC..THydrogen-bonded Turntrans67.65.217600000115.6V666 A678V666-G669 PolarHBondContact O-N 2.95Å; G669-A678 WeakPolarHBondContact O-CB 3.38Å
670L89.9Confident85.6Confident7 Ų740.5 Ų40.54%0.03723%0.228CC..SBendtrans-78.8-15.1176.8-59.9-176.7000112.2F664 T665 N668 A678 L682 T685 F686F664-L670 HydrophobicContact CB-CB 3.86Å; F664-L670 HydrophobicContact CD1-CB 4.38Å; F664-L670 HydrophobicContact CD1-CD1 3.8Å; F664-L670 HydrophobicContact CG-CB 4.44Å; T665-L670 PolarHBondContact O-N 3.42Å; N668-L670 PolarHBondContact O-N 3Å; N668-L670 VanDerWaalsContact O-N 3.08Å; N668-L670 WeakPolarHBondContact OD1-CB 3.29Å; N668-L670 WeakPolarHBondContact OD1-CG 3.48Å; N668-L670 PolarHBondContact OD1-N 3.33Å; L670-A678 PolarHBondContact O-N 2.8Å; L670-L682 HydrophobicContact CB-CD2 4.01Å; L670-L682 HydrophobicContact CB-CG 4.42Å; L670-L682 HydrophobicContact CD1-CD2 4.34Å; L670-L682 HydrophobicContact CD2-CD2 4.09Å; L670-L682 HydrophobicContact CD2-CG 4.38Å; L670-L682 HydrophobicContact CG-CD2 4.38Å; L670-T685 HydrophobicContact CD2-CG2 4.2Å; L670-T685 WeakPolarHBondContact CD2-OG1 3.23Å; L670-F686 HydrophobicContact CD1-CE2 4.26Å
671V86.1Confident85.2Confident4 Ų447.4 Ų47.42%0.02425%0.254CS..BIsolated β-bridgetrans-127.9140.4172.7179.80000108.2F664 T665 V666 F675 K676 L677F664-V671 VanDerWaalsContact C-CG2 3.42Å; F664-V671 HydrophobicContact CB-CG2 3.48Å; F664-V671 VanDerWaalsContact CB-CG2 3.48Å; F664-V671 VanDerWaalsContact O-CG2 3.3Å; F664-V671 WeakPolarHBondContact O-CG2 3.46Å; T665-V671 WeakPolarHBondContact O-CB 3.3Å; T665-V671 PolarHBondContact O-N 2.9Å; V666-V671 WeakPolarHBondContact CA-O 3.47Å; V666-V671 HydrophobicContact CG2-CG1 4.39Å; V671-F675 HydrophobicContact CG1-CB 4.37Å; V671-K676 CarbonylContact C-O 3.58Å; V671-K676 VanDerWaalsContact CA-O 3.23Å; V671-K676 WeakPolarHBondContact CA-O 3.24Å; V671-K676 VanDerWaalsContact CG1-O 3.3Å; V671-K676 WeakPolarHBondContact CG1-O 3.44Å; V671-L677 HydrophobicContact CG2-CD2 4.39Å
672T82.2Confident85.2Confident38 Ų3845.5 Ų45.523%0.23324%0.241CC..  trans-71.9163.3174.570.80000111N674 F675 K676 A678T672-N674 PolarHBondContact O-N 2.93Å; T672-F675 WeakPolarHBondContact O-CA 3.44Å; T672-F675 PolarHBondContact O-N 3.37Å; T672-K676 HydrophobicContact CG2-CB 4.49Å; T672-K676 PolarHBondContact N-O 3.45Å; T672-K676 PolarHBondContact OG1-N 3.2Å; T672-A678 HydrophobicContact CG2-CB 4.29Å
673S73.8Confident85.2Confident13 Ų1346 Ų469%0.09124%0.237CC..THydrogen-bonded Turntrans-54.3-22.3174.954.60000114.5Y153 F675Y153-S673 VanDerWaalsContact CD1-CB 3.42Å; Y153-S673 WeakPolarHBondContact CD1-OG 3.39Å; Y153-S673 WeakPolarHBondContact CE1-OG 3.46Å; S673-F675 VanDerWaalsContact C-N 3.34Å
674N69.9Low85.1Confident11 Ų1148 Ų486%0.05924%0.241CC..THydrogen-bonded Turntrans-96.220.8174-54.8-44.1000113.4H297 T672 K676H297-N674 PolarHBondContact CD2-ND2 2.93Å; H297-N674 PolarHBondContact NE2-ND2 3.09Å; H297-N674 VanDerWaalsContact NE2-ND2 3.15Å; T672-N674 PolarHBondContact O-N 2.93Å; N674-K676 VanDerWaalsContact C-N 3.28Å; N674-K676 PolarHBondContact O-N 3.32Å
675F78.8Confident85.1Confident43 Ų4351.8 Ų51.819%0.18927%0.265CS..SBendtrans64.820175.6-55.8-79.8000116.2I321 V339 R341 V666 V671 T672 S673I321-F675 HydrophobicContact CD1-CE2 4.42Å; I321-F675 HydrophobicContact CD1-CZ 3.93Å; I321-F675 HydrophobicContact CG1-CE1 4.4Å; I321-F675 HydrophobicContact CG1-CZ 3.87Å; V339-F675 HydrophobicContact CG2-CB 4.14Å; V339-F675 HydrophobicContact CG2-CD2 4.01Å; V339-F675 HydrophobicContact CG2-CG 4.41Å; R341-F675 HydrophobicContact CB-CB 4.28Å; V666-F675 HydrophobicContact CG2-CD1 4.3Å; V666-F675 HydrophobicContact CG2-CE1 4.15Å; V671-F675 HydrophobicContact CG1-CB 4.37Å; T672-F675 WeakPolarHBondContact O-CA 3.44Å; T672-F675 PolarHBondContact O-N 3.37Å; S673-F675 VanDerWaalsContact C-N 3.34Å
676K80.5Confident85.4Confident61 Ų6150.6 Ų50.627%0.26526%0.256SS..  trans-88150172.8-59.4-174.1-179.7-172.70111.4S409 A410 V671 T672 N674 A678S409-K676 WeakPolarHBondContact O-CE 3.47Å; S409-K676 PolarHBondContact O-NZ 2.97Å; A410-K676 HydrophobicContact CB-CG 4.31Å; V671-K676 CarbonylContact C-O 3.58Å; V671-K676 VanDerWaalsContact CA-O 3.23Å; V671-K676 WeakPolarHBondContact CA-O 3.24Å; V671-K676 VanDerWaalsContact CG1-O 3.3Å; V671-K676 WeakPolarHBondContact CG1-O 3.44Å; T672-K676 HydrophobicContact CG2-CB 4.49Å; T672-K676 PolarHBondContact N-O 3.45Å; T672-K676 PolarHBondContact OG1-N 3.2Å; N674-K676 VanDerWaalsContact C-N 3.28Å; N674-K676 PolarHBondContact O-N 3.32Å; K676-A678 PolarHBondContact O-N 3.02Å
677L87.2Confident85.9Confident45 Ų4552.5 Ų52.524%0.23627%0.271CS..BIsolated β-bridgetrans-63.2126.6172.9-64176.6000111I561 F562 F664 V671 R679 L682I561-L677 WeakPolarHBondContact O-CD1 3.22Å; F562-L677 HydrophobicContact CB-CD1 4.49Å; F664-L677 HydrophobicContact CD2-CD2 3.72Å; F664-L677 HydrophobicContact CE2-CD2 4.37Å; V671-L677 HydrophobicContact CG2-CD2 4.39Å; L677-R679 VanDerWaalsContact C-N 3.31Å; L677-R679 PolarHBondContact O-N 3.01Å; L677-R679 VanDerWaalsContact O-N 3.07Å; L677-L682 HydrophobicContact CB-CD1 3.74Å; L677-L682 HydrophobicContact CD2-CD1 4.01Å; L677-L682 HydrophobicContact CG-CD1 4.32Å
678A86.6Confident86.5Confident19 Ų1950.1 Ų50.116%0.15726%0.263CS..  trans-83.275.417400000109.7G669 L670 T672 K676 T680 R681 L682G669-A678 WeakPolarHBondContact O-CB 3.38Å; L670-A678 PolarHBondContact O-N 2.8Å; T672-A678 HydrophobicContact CG2-CB 4.29Å; K676-A678 PolarHBondContact O-N 3.02Å; A678-T680 VanDerWaalsContact C-N 3.32Å; A678-T680 PolarHBondContact O-N 2.69Å; A678-T680 VanDerWaalsContact O-N 3.16Å; A678-R681 HydrophobicContact CB-CB 4.13Å; A678-R681 HydrophobicContact CB-CG 4.48Å; A678-R681 PolarHBondContact O-N 3.07Å; A678-L682 PolarHBondContact O-N 2.74Å
679R89Confident86.8Confident25 Ų2552.9 Ų52.99%0.09427%0.269CS..Hα-helixtrans-51.6-42-167.5-55.7-176.5100.179.715.9114.4N533 P545 E546 E549 F562 V563 L677 L682 R683N533-R679 WeakPolarHBondContact OD1-CD 3.29Å; P545-R679 VanDerWaalsContact CB-NH2 3.31Å; E546-R679 VanDerWaalsContact CG-NH1 3.32Å; E546-R679 IonicContact OE1-NH1 3.93Å; E549-R679 IonicContact OE1-CZ 3.64Å; E549-R679 IonicContact OE1-NH1 3.44Å; E549-R679 IonicContact OE1-NH2 2.72Å; E549-R679 PolarHBondContact OE1-NH2 2.68Å; E549-R679 IonicContact OE2-CZ 3.61Å; E549-R679 IonicContact OE2-NH1 3.61Å; E549-R679 PolarHBondContact OE2-NH1 3.2Å; E549-R679 IonicContact OE2-NH2 2.74Å; E549-R679 PolarHBondContact OE2-NH2 3.02Å; E549-R679 VanDerWaalsContact OE2-NH2 3.14Å; F562-R679 HydrophobicContact CE2-CB 4.22Å; F562-R679 HydrophobicContact CE2-CG 4.32Å; V563-R679 PolarHBondContact O-NH2 3.09Å; L677-R679 VanDerWaalsContact C-N 3.31Å; L677-R679 PolarHBondContact O-N 3.01Å; L677-R679 VanDerWaalsContact O-N 3.07Å; R679-L682 PolarHBondContact O-N 3Å; R679-R683 PolarHBondContact O-N 2.78Å
680T84.3Confident87.3Confident82 Ų8251.7 Ų51.750%0.50325%0.254SS..Hα-helixtrans-61.6-49.2176.9-49.70000111.3A678 L682 R683 E684A678-T680 VanDerWaalsContact C-N 3.32Å; A678-T680 PolarHBondContact O-N 2.69Å; A678-T680 VanDerWaalsContact O-N 3.16Å; T680-L682 VanDerWaalsContact C-N 3.33Å; T680-L682 PolarHBondContact O-N 3.45Å; T680-R683 PolarHBondContact O-N 3.14Å; T680-E684 WeakPolarHBondContact O-CG 3.41Å; T680-E684 PolarHBondContact O-N 2.99Å
681R85.7Confident87.5Confident148 Ų14857.8 Ų57.856%0.55828%0.277SS*.Hα-helixtrans-63.4-37.8176.7-71.8-56.1-163.1-177.14.2112.5A678 E684 T685A678-R681 HydrophobicContact CB-CB 4.13Å; A678-R681 HydrophobicContact CB-CG 4.48Å; A678-R681 PolarHBondContact O-N 3.07Å; R681-E684 VanDerWaalsContact CD-OE2 3.28Å; R681-E684 WeakPolarHBondContact CD-OE2 3.24Å; R681-E684 IonicContact CZ-OE2 3.37Å; R681-E684 IonicContact NE-OE2 3.29Å; R681-E684 IonicContact NH1-OE2 2.75Å; R681-E684 PolarHBondContact NH1-OE2 3.08Å; R681-E684 PolarHBondContact O-N 3.16Å; R681-T685 VanDerWaalsContact O-CB 3.27Å; R681-T685 WeakPolarHBondContact O-CB 3.42Å; R681-T685 PolarHBondContact O-N 3.31Å; R681-T685 PolarHBondContact O-OG1 3.31Å
682L92.6Very high87.9Confident0 Ų060.4 Ų60.40%029%0.29CS..Hα-helixtrans-62.3-44.8174.3-77.1160.1000111.7F562 F664 L670 L677 A678 R679 T680 T685 F686F562-L682 HydrophobicContact CB-CD1 4.21Å; F562-L682 HydrophobicContact CD1-CB 3.98Å; F562-L682 HydrophobicContact CD2-CB 4.37Å; F562-L682 HydrophobicContact CD2-CD1 3.97Å; F562-L682 HydrophobicContact CE1-CB 4.05Å; F562-L682 HydrophobicContact CE2-CB 4.44Å; F562-L682 HydrophobicContact CG-CB 4.16Å; F562-L682 HydrophobicContact CG-CD1 4.01Å; F562-L682 HydrophobicContact CZ-CB 4.3Å; F664-L682 HydrophobicContact CD1-CD2 3.83Å; F664-L682 HydrophobicContact CD2-CD2 4.29Å; F664-L682 HydrophobicContact CE1-CD2 3.82Å; F664-L682 HydrophobicContact CE2-CD2 4.27Å; F664-L682 HydrophobicContact CG-CD2 4.07Å; F664-L682 HydrophobicContact CZ-CD2 4.03Å; L670-L682 HydrophobicContact CB-CD2 4.01Å; L670-L682 HydrophobicContact CB-CG 4.42Å; L670-L682 HydrophobicContact CD1-CD2 4.34Å; L670-L682 HydrophobicContact CD2-CD2 4.09Å; L670-L682 HydrophobicContact CD2-CG 4.38Å; L670-L682 HydrophobicContact CG-CD2 4.38Å; L677-L682 HydrophobicContact CB-CD1 3.74Å; L677-L682 HydrophobicContact CD2-CD1 4.01Å; L677-L682 HydrophobicContact CG-CD1 4.32Å; A678-L682 PolarHBondContact O-N 2.74Å; R679-L682 PolarHBondContact O-N 3Å; T680-L682 VanDerWaalsContact C-N 3.33Å; T680-L682 PolarHBondContact O-N 3.45Å; L682-T685 PolarHBondContact O-N 3.23Å; L682-F686 HydrophobicContact CD2-CD2 4.14Å; L682-F686 HydrophobicContact CD2-CE2 3.82Å; L682-F686 WeakPolarHBondContact O-CB 3.22Å; L682-F686 WeakPolarHBondContact O-CD2 3.48Å; L682-F686 PolarHBondContact O-N 3.41Å
683R91.1Very high88.5Confident99 Ų9958.8 Ų58.837%0.37428%0.28SS..Hα-helixtrans-62.7-43.7175.2-77.4-176.9171.1159.4-3.1112.6F562 D564 R679 T680 S687 L690F562-R683 HydrophobicContact CE1-CG 4.15Å; F562-R683 HydrophobicContact CZ-CG 3.72Å; D564-R683 IonicContact OD1-CZ 3.79Å; D564-R683 VanDerWaalsContact OD1-CZ 3.22Å; D564-R683 IonicContact OD1-NE 3.77Å; D564-R683 PolarHBondContact OD1-NE 3.39Å; D564-R683 IonicContact OD1-NH2 2.78Å; D564-R683 PolarHBondContact OD1-NH2 3.42Å; R679-R683 PolarHBondContact O-N 2.78Å; T680-R683 PolarHBondContact O-N 3.14Å; R683-S687 VanDerWaalsContact O-CA 3.25Å; R683-S687 WeakPolarHBondContact O-CA 3.48Å; R683-S687 WeakPolarHBondContact O-CB 3.3Å; R683-S687 PolarHBondContact O-N 2.81Å; R683-L690 HydrophobicContact CG-CD1 4.34Å
684E89.7Confident89.4Confident99 Ų9958.7 Ų58.746%0.46328%0.278SS..Hα-helixtrans-59.8-51.2176.1-73.1169-170.300110.8T680 R681 F686 S687T680-E684 WeakPolarHBondContact O-CG 3.41Å; T680-E684 PolarHBondContact O-N 2.99Å; R681-E684 VanDerWaalsContact CD-OE2 3.28Å; R681-E684 WeakPolarHBondContact CD-OE2 3.24Å; R681-E684 IonicContact CZ-OE2 3.37Å; R681-E684 IonicContact NE-OE2 3.29Å; R681-E684 IonicContact NH1-OE2 2.75Å; R681-E684 PolarHBondContact NH1-OE2 3.08Å; R681-E684 PolarHBondContact O-N 3.16Å; E684-F686 PolarHBondContact O-N 3.21Å; E684-S687 WeakPolarHBondContact O-CB 3.45Å; E684-S687 PolarHBondContact O-N 2.95Å; E684-S687 PolarHBondContact O-OG 2.75Å
685T93.7Very high90.5Very high80 Ų8062.5 Ų62.549%0.49130%0.295SS..Hα-helixtrans-63.8-39.1-176-56.50000112.6L670 R681 L682L670-T685 HydrophobicContact CD2-CG2 4.2Å; L670-T685 WeakPolarHBondContact CD2-OG1 3.23Å; R681-T685 VanDerWaalsContact O-CB 3.27Å; R681-T685 WeakPolarHBondContact O-CB 3.42Å; R681-T685 PolarHBondContact O-N 3.31Å; R681-T685 PolarHBondContact O-OG1 3.31Å; L682-T685 PolarHBondContact O-N 3.23Å
686F95.4Very high91Very high10 Ų1064.4 Ų64.44%0.04431%0.305CS..THydrogen-bonded Turntrans-104.513.3-176.4-64.3-69000113.8V575 Y658 F664 L670 L682 E684 D688 R689 L690V575-F686 HydrophobicContact CG1-CD1 4.33Å; V575-F686 HydrophobicContact CG1-CD2 4.24Å; V575-F686 HydrophobicContact CG1-CE1 4.22Å; V575-F686 HydrophobicContact CG1-CE2 4.13Å; V575-F686 HydrophobicContact CG1-CG 4.35Å; V575-F686 HydrophobicContact CG1-CZ 4.12Å; V575-F686 HydrophobicContact CG2-CB 4.06Å; V575-F686 HydrophobicContact CG2-CD2 4.23Å; V575-F686 HydrophobicContact CG2-CG 4.02Å; Y658-F686 HydrophobicContact CD1-CD1 4.2Å; Y658-F686 HydrophobicContact CD1-CE1 4.39Å; Y658-F686 AromaticContact CE1-CD1 3.98Å; Y658-F686 HydrophobicContact CE1-CD1 3.98Å; Y658-F686 AromaticContact CE1-CE1 3.89Å; Y658-F686 HydrophobicContact CE1-CE1 3.89Å; F664-F686 HydrophobicContact CD1-CE2 4.36Å; F664-F686 AromaticContact CE1-CE2 3.65Å; F664-F686 HydrophobicContact CE1-CE2 3.65Å; F664-F686 AromaticContact CE1-CZ 3.9Å; F664-F686 HydrophobicContact CE1-CZ 3.9Å; F664-F686 HydrophobicContact CZ-CE2 4.41Å; L670-F686 HydrophobicContact CD1-CE2 4.26Å; L682-F686 HydrophobicContact CD2-CD2 4.14Å; L682-F686 HydrophobicContact CD2-CE2 3.82Å; L682-F686 WeakPolarHBondContact O-CB 3.22Å; L682-F686 WeakPolarHBondContact O-CD2 3.48Å; L682-F686 PolarHBondContact O-N 3.41Å; E684-F686 PolarHBondContact O-N 3.21Å; F686-D688 PolarHBondContact O-N 3.44Å; F686-R689 WeakPolarHBondContact O-CA 3.17Å; F686-R689 PolarHBondContact O-N 3.3Å; F686-L690 HydrophobicContact CB-CD1 4.46Å; F686-L690 HydrophobicContact CB-CG 4.27Å; F686-L690 WeakPolarHBondContact O-CG 3.49Å; F686-L690 PolarHBondContact O-N 3.2Å
687S92.8Very high91.3Very high62 Ų6261.8 Ų61.843%0.43430%0.295SS..Hα-helixtrans-48.7-51.8-173.551.60000113.8R683 E684 R689 L690 R691R683-S687 VanDerWaalsContact O-CA 3.25Å; R683-S687 WeakPolarHBondContact O-CA 3.48Å; R683-S687 WeakPolarHBondContact O-CB 3.3Å; R683-S687 PolarHBondContact O-N 2.81Å; E684-S687 WeakPolarHBondContact O-CB 3.45Å; E684-S687 PolarHBondContact O-N 2.95Å; E684-S687 PolarHBondContact O-OG 2.75Å; S687-R689 VanDerWaalsContact C-N 3.34Å; S687-R689 PolarHBondContact O-N 2.95Å; S687-L690 PolarHBondContact O-N 2.73Å; S687-R691 PolarHBondContact O-N 3.38Å
688D94.1Very high91Very high108 Ų10863.2 Ų63.258%0.57831%0.308SS*.Hα-helixtrans-62-39.7178-73.7-34.9000113F686 L692F686-D688 PolarHBondContact O-N 3.44Å; D688-L692 WeakPolarHBondContact O-CG 3.41Å; D688-L692 PolarHBondContact O-N 2.92Å; D688-L692 VanDerWaalsContact O-N 3.16Å
689R94.7Very high90.4Very high122 Ų12268.2 Ų68.246%0.4635%0.35SS..Hα-helixtrans-69.3-42178.4-64-60-176.6-160.7-2.5111.1Y658 F686 S687 R691 L692 L693Y658-R689 HydrophobicContact CD1-CB 4.22Å; Y658-R689 HydrophobicContact CD1-CG 4.18Å; Y658-R689 HydrophobicContact CD2-CB 4.46Å; Y658-R689 HydrophobicContact CD2-CG 4.24Å; Y658-R689 HydrophobicContact CE1-CG 4.08Å; Y658-R689 HydrophobicContact CE2-CG 4.13Å; Y658-R689 HydrophobicContact CG-CB 4.17Å; Y658-R689 HydrophobicContact CG-CG 4.28Å; F686-R689 WeakPolarHBondContact O-CA 3.17Å; F686-R689 PolarHBondContact O-N 3.3Å; S687-R689 VanDerWaalsContact C-N 3.34Å; S687-R689 PolarHBondContact O-N 2.95Å; R689-R691 VanDerWaalsContact C-N 3.35Å; R689-L692 PolarHBondContact O-N 2.93Å; R689-L693 VanDerWaalsContact O-CG 3.26Å; R689-L693 WeakPolarHBondContact O-CG 3.44Å; R689-L693 PolarHBondContact O-N 3.13Å
690L95.4Very high90.5Very high10 Ų1070.4 Ų70.45%0.05236%0.362CS..Hα-helixtrans-60.9-44.7176.7-67172.7000111F562 D564 I573 V575 R683 F686 S687 L692 L693 Y694F562-L690 HydrophobicContact CE1-CD1 4.28Å; D564-L690 HydrophobicContact CB-CD2 3.94Å; I573-L690 HydrophobicContact CD1-CB 4.3Å; I573-L690 HydrophobicContact CD1-CD2 3.79Å; I573-L690 HydrophobicContact CG1-CD2 4.43Å; V575-L690 HydrophobicContact CG2-CD2 4Å; R683-L690 HydrophobicContact CG-CD1 4.34Å; F686-L690 HydrophobicContact CB-CD1 4.46Å; F686-L690 HydrophobicContact CB-CG 4.27Å; F686-L690 WeakPolarHBondContact O-CG 3.49Å; F686-L690 PolarHBondContact O-N 3.2Å; S687-L690 PolarHBondContact O-N 2.73Å; L690-L692 PolarHBondContact O-N 2.9Å; L690-L693 HydrophobicContact CD2-CD1 4.49Å; L690-L693 WeakPolarHBondContact O-CB 3.32Å; L690-L693 PolarHBondContact O-N 3.13Å; L690-Y694 WeakPolarHBondContact O-CD2 3.22Å; L690-Y694 PolarHBondContact O-N 3.13Å; L690-Y694 VanDerWaalsContact O-N 3.09Å
691R93.8Very high90.8Very high134 Ų13469.7 Ų69.751%0.50636%0.355SS..Hα-helixtrans-57.1-50.4175.8-175.8178.263.785.1-3111.8S687 R689 L693 Y694 E695S687-R691 PolarHBondContact O-N 3.38Å; R689-R691 VanDerWaalsContact C-N 3.35Å; R691-L693 VanDerWaalsContact C-N 3.32Å; R691-L693 PolarHBondContact O-N 3.39Å; R691-Y694 PolarHBondContact O-N 3.18Å; R691-E695 WeakPolarHBondContact CG-OE1 3.44Å; R691-E695 IonicContact CZ-OE1 3.42Å; R691-E695 IonicContact NH1-OE1 3.62Å; R691-E695 PolarHBondContact NH1-OE1 3.31Å; R691-E695 IonicContact NH1-OE2 3.96Å; R691-E695 WeakPolarHBondContact O-CG 3.46Å; R691-E695 PolarHBondContact O-N 2.88Å; R691-E695 VanDerWaalsContact O-N 3.09Å
692L94.1Very high91.1Very high59 Ų5965.4 Ų65.431%0.30934%0.344SS..Hα-helixtrans-60.7-39.8177.4-70.8170000112.3D688 R689 L690 Y694 E695 E696D688-L692 WeakPolarHBondContact O-CG 3.41Å; D688-L692 PolarHBondContact O-N 2.92Å; D688-L692 VanDerWaalsContact O-N 3.16Å; R689-L692 PolarHBondContact O-N 2.93Å; L690-L692 PolarHBondContact O-N 2.9Å; L692-Y694 VanDerWaalsContact C-N 3.32Å; L692-Y694 PolarHBondContact O-N 2.97Å; L692-E695 PolarHBondContact O-N 3.25Å; L692-E696 WeakPolarHBondContact O-CB 3.16Å; L692-E696 VanDerWaalsContact O-CG 3.25Å; L692-E696 WeakPolarHBondContact O-CG 3.37Å; L692-E696 PolarHBondContact O-N 3.48Å
693L94.6Very high91Very high5 Ų569.2 Ų69.23%0.02636%0.364CS..Hα-helixtrans-61.3-39.8177.5-74.6178.1000112.5I573 R656 R689 L690 R691 A697I573-L693 HydrophobicContact CB-CB 4.41Å; I573-L693 HydrophobicContact CB-CD1 4.38Å; I573-L693 HydrophobicContact CD1-CB 3.57Å; I573-L693 HydrophobicContact CD1-CD1 3.92Å; I573-L693 HydrophobicContact CD1-CG 4.41Å; I573-L693 HydrophobicContact CG2-CB 4.33Å; R656-L693 HydrophobicContact CB-CD2 4.08Å; R689-L693 VanDerWaalsContact O-CG 3.26Å; R689-L693 WeakPolarHBondContact O-CG 3.44Å; R689-L693 PolarHBondContact O-N 3.13Å; L690-L693 HydrophobicContact CD2-CD1 4.49Å; L690-L693 WeakPolarHBondContact O-CB 3.32Å; L690-L693 PolarHBondContact O-N 3.13Å; R691-L693 VanDerWaalsContact C-N 3.32Å; R691-L693 PolarHBondContact O-N 3.39Å; L693-A697 WeakPolarHBondContact O-CB 3.38Å; L693-A697 PolarHBondContact O-N 3.37Å; L693-A697 VanDerWaalsContact O-N 3.09Å
694Y94.4Very high91Very high10 Ų1067.4 Ų67.44%0.03936%0.363CS..Hα-helixtrans-67.6-45.4176-76.4-62.3000111.7D564 G565 N566 Y569 F571 I573 L690 R691 L692 E696 A697 S698D564-Y694 WeakPolarHBondContact OD2-CE2 3.46Å; D564-Y694 PolarHBondContact OD2-OH 2.85Å; G565-Y694 WeakPolarHBondContact CA-OH 3.1Å; G565-Y694 PolarHBondContact N-OH 2.89Å; G565-Y694 VanDerWaalsContact N-OH 3.15Å; N566-Y694 HydrophobicContact CB-CE1 3.98Å; N566-Y694 HydrophobicContact CB-CE2 4.01Å; N566-Y694 PolarHBondContact N-OH 2.93Å; Y569-Y694 HydrophobicContact CD1-CD1 4.1Å; Y569-Y694 AromaticContact CD2-CD1 3.42Å; Y569-Y694 HydrophobicContact CD2-CD1 3.42Å; Y569-Y694 VanDerWaalsContact CD2-CD1 3.42Å; Y569-Y694 AromaticContact CD2-CE1 3.84Å; Y569-Y694 HydrophobicContact CD2-CE1 3.84Å; Y569-Y694 AromaticContact CD2-CG 3.92Å; Y569-Y694 HydrophobicContact CD2-CG 3.92Å; Y569-Y694 HydrophobicContact CE1-CD1 4.36Å; Y569-Y694 HydrophobicContact CE1-CG 4.48Å; Y569-Y694 AromaticContact CE2-CD1 3.73Å; Y569-Y694 HydrophobicContact CE2-CD1 3.73Å; Y569-Y694 HydrophobicContact CE2-CD2 4.35Å; Y569-Y694 HydrophobicContact CE2-CE1 4.43Å; Y569-Y694 AromaticContact CE2-CG 3.71Å; Y569-Y694 HydrophobicContact CE2-CG 3.71Å; Y569-Y694 AromaticContact CG-CD1 3.62Å; Y569-Y694 HydrophobicContact CG-CD1 3.62Å; Y569-Y694 HydrophobicContact CG-CE1 4.16Å; Y569-Y694 HydrophobicContact CG-CG 4.39Å; F571-Y694 HydrophobicContact CE2-CD1 4.08Å; I573-Y694 HydrophobicContact CD1-CD1 4.08Å; I573-Y694 HydrophobicContact CD1-CD2 3.64Å; I573-Y694 HydrophobicContact CD1-CE1 3.84Å; I573-Y694 HydrophobicContact CD1-CE2 3.37Å; I573-Y694 HydrophobicContact CD1-CG 3.97Å; I573-Y694 VanDerWaalsContact CD1-CZ 3.45Å; I573-Y694 HydrophobicContact CG1-CD1 4.39Å; I573-Y694 HydrophobicContact CG1-CE1 3.8Å; I573-Y694 HydrophobicContact CG1-CE2 4.04Å; I573-Y694 HydrophobicContact CG2-CD1 4.22Å; I573-Y694 HydrophobicContact CG2-CE1 4.17Å; L690-Y694 WeakPolarHBondContact O-CD2 3.22Å; L690-Y694 PolarHBondContact O-N 3.13Å; L690-Y694 VanDerWaalsContact O-N 3.09Å; R691-Y694 PolarHBondContact O-N 3.18Å; L692-Y694 VanDerWaalsContact C-N 3.32Å; L692-Y694 PolarHBondContact O-N 2.97Å; Y694-E696 PolarHBondContact O-N 3.02Å; Y694-A697 PolarHBondContact O-N 2.88Å; Y694-S698 PolarHBondContact O-N 3.02Å; Y694-S698 VanDerWaalsContact O-N 3.08Å; Y694-S698 PolarHBondContact O-OG 2.93Å
695E91.2Very high91.1Very high91 Ų9165.3 Ų65.343%0.42536%0.357SS..Hα-helixtrans-58.2-47.8176.6-70169.6-170.700111.4R691 L692 A697 S698 A699R691-E695 WeakPolarHBondContact CG-OE1 3.44Å; R691-E695 IonicContact CZ-OE1 3.42Å; R691-E695 IonicContact NH1-OE1 3.62Å; R691-E695 PolarHBondContact NH1-OE1 3.31Å; R691-E695 IonicContact NH1-OE2 3.96Å; R691-E695 WeakPolarHBondContact O-CG 3.46Å; R691-E695 PolarHBondContact O-N 2.88Å; R691-E695 VanDerWaalsContact O-N 3.09Å; L692-E695 PolarHBondContact O-N 3.25Å; E695-A697 VanDerWaalsContact C-N 3.28Å; E695-A697 PolarHBondContact O-N 2.56Å; E695-S698 PolarHBondContact O-N 3.11Å; E695-A699 PolarHBondContact O-N 3.46Å; E695-A699 VanDerWaalsContact O-N 3.1Å
696E90.1Very high90.9Very high83 Ų8364.2 Ų64.239%0.38835%0.347SS..Hα-helixtrans-68-22177.7-72.6176.9177.100114.7R632 L692 Y694R632-E696 IonicContact CZ-OE2 3.31Å; R632-E696 IonicContact NH1-OE1 2.84Å; R632-E696 IonicContact NH1-OE2 3.76Å; R632-E696 PolarHBondContact NH1-OE2 2.87Å; R632-E696 IonicContact NH2-OE2 3.05Å; R632-E696 PolarHBondContact NH2-OE2 3.03Å; L692-E696 WeakPolarHBondContact O-CB 3.16Å; L692-E696 VanDerWaalsContact O-CG 3.25Å; L692-E696 WeakPolarHBondContact O-CG 3.37Å; L692-E696 PolarHBondContact O-N 3.48Å; Y694-E696 PolarHBondContact O-N 3.02Å
697A86.6Confident90.6Very high7 Ų768.4 Ų68.46%0.05837%0.371CS..Hα-helixtrans-87.9-25.7-179.900000112.4F571 K655 R656 L693 Y694 E695F571-A697 HydrophobicContact CD2-CB 4.16Å; F571-A697 HydrophobicContact CE1-CB 4.2Å; F571-A697 HydrophobicContact CE2-CB 3.23Å; F571-A697 HydrophobicContact CZ-CB 3.27Å; K655-A697 HydrophobicContact CG-CB 3.94Å; R656-A697 HydrophobicContact CB-CB 4.38Å; R656-A697 HydrophobicContact CG-CB 3.61Å; L693-A697 WeakPolarHBondContact O-CB 3.38Å; L693-A697 PolarHBondContact O-N 3.37Å; L693-A697 VanDerWaalsContact O-N 3.09Å; Y694-A697 PolarHBondContact O-N 2.88Å; E695-A697 VanDerWaalsContact C-N 3.28Å; E695-A697 PolarHBondContact O-N 2.56Å
698S80.1Confident90.4Very high74 Ų7468.9 Ų68.952%0.51737%0.365SS..Hα-helixtrans-88.9-21175.6-73.30000114.1Y569 Y694 E695Y569-S698 WeakPolarHBondContact CD1-OG 3.2Å; Y569-S698 WeakPolarHBondContact CE1-OG 3.3Å; Y694-S698 PolarHBondContact O-N 3.02Å; Y694-S698 VanDerWaalsContact O-N 3.08Å; Y694-S698 PolarHBondContact O-OG 2.93Å; E695-S698 PolarHBondContact O-N 3.11Å
699A76Confident90.1Very high124 Ų12465.4 Ų65.4100%1.02535%0.346SS*.  trans-72.40165.800000110.9E695E695-A699 PolarHBondContact O-N 3.46Å; E695-A699 VanDerWaalsContact O-N 3.1Å

Retrieved 699 of 699 residues in 162.8 ms (Link to these results)

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