A0A087Y7W3_POEFO Loading...

Nfe2 like bZIP transcription factor 2a

AlphaFold DB , UniProt , Accession A0A087Y7W3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 617 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
1M37.5Very low52.3Low246 Ų246158.8 Ų158.8100%1.21280%0.8SS**  0142.70-65163.4-178.900107.3
2M38Very low54.6Low187 Ų187156.7 Ų156.792%0.92179%0.786SS**  trans-85129.3162.4-71.3-179.7-75.100106.9E4M2-E4 PolarHBondContact O-N 3.09Å
3M44.4Very low56.7Low188 Ų188157.4 Ų157.493%0.92678%0.781SS**  trans-73.7112.8166-91.4179.6160.600107.5M5M3-M5 PolarHBondContact O-N 2.99Å
4E46Very low58.6Low192 Ų192150.9 Ų150.990%0.89775%0.75SS**  trans-65.9102.1161.5-74.4-174.6116.900107.5M2 E6M2-E4 PolarHBondContact O-N 3.09Å; E4-E6 PolarHBondContact O-N 3.19Å; E4-E6 VanDerWaalsContact O-N 3.16Å
5M51Low60.2Low165 Ų165146.2 Ų146.281%0.81373%0.727SS**  trans-71.6108.6174-164.7175.977.100107.4M3 V7M3-M5 PolarHBondContact O-N 2.99Å; M5-V7 PolarHBondContact O-N 3.26Å
6E46.6Very low61.6Low178 Ų178141.6 Ų141.683%0.83271%0.705SS**  trans-59.4101.3-174.8-171.5174.9-152.900110.3E4 M8E4-E6 PolarHBondContact O-N 3.19Å; E4-E6 VanDerWaalsContact O-N 3.16Å; E6-M8 PolarHBondContact O-N 3.01Å
7V52.8Low63.1Low107 Ų107138.5 Ų138.565%0.64869%0.692SS**  trans-7195.8-179.3-179.80000107.8M5 H9M5-V7 PolarHBondContact O-N 3.26Å; V7-H9 PolarHBondContact O-N 3.17Å
8M54.4Low64.1Low172 Ų172135.7 Ų135.785%0.84768%0.678SS**  trans-54.5108.8173.6-68.3-150.381.300109.5E6 S10E6-M8 PolarHBondContact O-N 3.01Å; M8-S10 VanDerWaalsContact C-N 3.34Å; M8-S10 PolarHBondContact O-N 3.04Å
9H53.3Low65Low173 Ų173133 Ų13380%0.80167%0.666SS**  trans-6793.7176.9-65.1-52.2000109.4V7 T11V7-H9 PolarHBondContact O-N 3.17Å; H9-T11 PolarHBondContact O-N 2.94Å
10S68.8Low66Low64 Ų64131.1 Ų131.145%0.44866%0.657SS.*  trans-48.9127.6168.4-152.50000108.3M8 D14M8-S10 VanDerWaalsContact C-N 3.34Å; M8-S10 PolarHBondContact O-N 3.04Å; S10-D14 VanDerWaalsContact OG-CB 3.27Å; S10-D14 WeakPolarHBondContact OG-CB 3.25Å
11T82Confident66.9Low75 Ų75127.7 Ų127.746%0.4664%0.641SS.*  trans-69.7159.8-171.575.90000110H9 K13 D14 M15H9-T11 PolarHBondContact O-N 2.94Å; T11-K13 PolarHBondContact O-N 2.89Å; T11-D14 WeakPolarHBondContact CA-OD2 3.46Å; T11-D14 VanDerWaalsContact CB-OD2 3.25Å; T11-D14 WeakPolarHBondContact CB-OD2 3.46Å; T11-D14 WeakPolarHBondContact CG2-OD2 3.41Å; T11-D14 PolarHBondContact N-OD2 3.26Å; T11-D14 WeakPolarHBondContact O-CA 3.05Å; T11-D14 WeakPolarHBondContact O-CB 3.47Å; T11-D14 PolarHBondContact O-N 3.29Å; T11-D14 PolarHBondContact OG1-OD2 3Å; T11-M15 PolarHBondContact O-N 3.16Å
12Q81Confident68.8Low133 Ų133120.5 Ų120.562%0.62160%0.6SS**Hα-helixtrans-51.5-37.1177-174.260.851.400111.7D14 M15 D16Q12-D14 VanDerWaalsContact C-N 3.32Å; Q12-D14 PolarHBondContact O-N 2.57Å; Q12-M15 PolarHBondContact O-N 3.07Å; Q12-D16 PolarHBondContact NE2-OD1 2.7Å; Q12-D16 WeakPolarHBondContact O-CB 3.13Å; Q12-D16 PolarHBondContact O-N 2.62Å
13K81.7Confident70.8Confident166 Ų166115.9 Ų115.972%0.72258%0.579SS**Hα-helixtrans-66-31.8177.5-61.3177.2-177.91750113.5T11 L17T11-K13 PolarHBondContact O-N 2.89Å; K13-L17 WeakPolarHBondContact O-CB 3.41Å; K13-L17 PolarHBondContact O-N 2.89Å
14D82.6Confident72.3Confident66 Ų66111.5 Ų111.535%0.35356%0.557SS.*Hα-helixtrans-74.5-39.1176.5-55.7-54.8000110S10 T11 Q12 L17 I18S10-D14 VanDerWaalsContact OG-CB 3.27Å; S10-D14 WeakPolarHBondContact OG-CB 3.25Å; T11-D14 WeakPolarHBondContact CA-OD2 3.46Å; T11-D14 VanDerWaalsContact CB-OD2 3.25Å; T11-D14 WeakPolarHBondContact CB-OD2 3.46Å; T11-D14 WeakPolarHBondContact CG2-OD2 3.41Å; T11-D14 PolarHBondContact N-OD2 3.26Å; T11-D14 WeakPolarHBondContact O-CA 3.05Å; T11-D14 WeakPolarHBondContact O-CB 3.47Å; T11-D14 PolarHBondContact O-N 3.29Å; T11-D14 PolarHBondContact OG1-OD2 3Å; Q12-D14 VanDerWaalsContact C-N 3.32Å; Q12-D14 PolarHBondContact O-N 2.57Å; D14-L17 PolarHBondContact O-N 2.96Å; D14-I18 WeakPolarHBondContact O-CB 3.47Å; D14-I18 WeakPolarHBondContact O-CD1 3.49Å; D14-I18 WeakPolarHBondContact O-CG1 3.36Å; D14-I18 PolarHBondContact O-N 2.79Å
15M83.6Confident73.5Confident81 Ų81102.9 Ų102.940%0.39952%0.516SS..Hα-helixtrans-64.6-48.3172.2-63.2-56.9-58.800111.8T11 Q12 L17 I18 D19T11-M15 PolarHBondContact O-N 3.16Å; Q12-M15 PolarHBondContact O-N 3.07Å; M15-L17 PolarHBondContact O-N 3.12Å; M15-I18 WeakPolarHBondContact O-CB 3.49Å; M15-I18 PolarHBondContact O-N 3.46Å; M15-I18 VanDerWaalsContact O-N 3.11Å; M15-I18 HydrophobicContact SD-CD1 4.25Å; M15-D19 PolarHBondContact O-N 3Å
16D82.2Confident74.4Confident72 Ų7297.6 Ų97.639%0.38549%0.491SS..Hα-helixtrans-56-41.1174.3-59.8-23.7000110.9Q12 D19 I20Q12-D16 PolarHBondContact NE2-OD1 2.7Å; Q12-D16 WeakPolarHBondContact O-CB 3.13Å; Q12-D16 PolarHBondContact O-N 2.62Å; D16-D19 PolarHBondContact O-N 3.09Å; D16-I20 WeakPolarHBondContact O-CB 3.35Å; D16-I20 WeakPolarHBondContact O-CD1 3.32Å; D16-I20 WeakPolarHBondContact O-CG1 3.38Å; D16-I20 PolarHBondContact O-N 3.23Å
17L86.9Confident75.7Confident90 Ų9096.2 Ų96.247%0.47149%0.489SS..Hα-helixtrans-69.5-39.9177.118060.6000112.2K13 D14 M15 I20 L21K13-L17 WeakPolarHBondContact O-CB 3.41Å; K13-L17 PolarHBondContact O-N 2.89Å; D14-L17 PolarHBondContact O-N 2.96Å; M15-L17 PolarHBondContact O-N 3.12Å; L17-I20 PolarHBondContact O-N 2.79Å; L17-L21 HydrophobicContact CD1-CD1 3.98Å; L17-L21 HydrophobicContact CD1-CG 4.06Å; L17-L21 HydrophobicContact CG-CD1 3.91Å; L17-L21 HydrophobicContact CG-CG 4.41Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.37Å; L17-L21 WeakPolarHBondContact O-CG 3.4Å; L17-L21 PolarHBondContact O-N 3.23Å
18I81.1Confident76.5Confident87 Ų8795.5 Ų95.545%0.44648%0.482SS..Hα-helixtrans-59.4-47.6173-74161.1000109.8D14 M15 L21 W22D14-I18 WeakPolarHBondContact O-CB 3.47Å; D14-I18 WeakPolarHBondContact O-CD1 3.49Å; D14-I18 WeakPolarHBondContact O-CG1 3.36Å; D14-I18 PolarHBondContact O-N 2.79Å; M15-I18 WeakPolarHBondContact O-CB 3.49Å; M15-I18 PolarHBondContact O-N 3.46Å; M15-I18 VanDerWaalsContact O-N 3.11Å; M15-I18 HydrophobicContact SD-CD1 4.25Å; I18-L21 PolarHBondContact O-N 2.93Å; I18-W22 WeakPolarHBondContact O-CB 3.3Å; I18-W22 PolarHBondContact O-N 2.95Å
19D81.6Confident76.7Confident85 Ų8589.8 Ų89.846%0.45547%0.466SS..Hα-helixtrans-65.1-40.9179.2-77.2-17.5000112.2M15 D16 L21 W22 N23M15-D19 PolarHBondContact O-N 3Å; D16-D19 PolarHBondContact O-N 3.09Å; D19-L21 PolarHBondContact O-N 2.87Å; D19-W22 PolarHBondContact O-N 2.97Å; D19-N23 WeakPolarHBondContact O-CB 3.35Å; D19-N23 PolarHBondContact O-N 3.26Å; D19-N23 PolarHBondContact O-ND2 3.2Å
20I85.3Confident77.2Confident94 Ų9482.1 Ų82.148%0.48243%0.433SS..Hα-helixtrans-61.6-44.1173.9-73.3165000110.9D16 L17 Q24D16-I20 WeakPolarHBondContact O-CB 3.35Å; D16-I20 WeakPolarHBondContact O-CD1 3.32Å; D16-I20 WeakPolarHBondContact O-CG1 3.38Å; D16-I20 PolarHBondContact O-N 3.23Å; L17-I20 PolarHBondContact O-N 2.79Å; I20-Q24 VanDerWaalsContact CG2-NE2 3.31Å; I20-Q24 WeakPolarHBondContact O-CB 3.5Å; I20-Q24 VanDerWaalsContact O-CG 3.23Å; I20-Q24 WeakPolarHBondContact O-CG 3.43Å; I20-Q24 PolarHBondContact O-N 2.78Å; I20-Q24 VanDerWaalsContact O-N 3.11Å
21L83.9Confident76.9Confident60 Ų6084.3 Ų84.331%0.31443%0.431SS..Hα-helixtrans-71.3-30.6179.2-71.4173.4000112.8L17 I18 D19 D25L17-L21 HydrophobicContact CD1-CD1 3.98Å; L17-L21 HydrophobicContact CD1-CG 4.06Å; L17-L21 HydrophobicContact CG-CD1 3.91Å; L17-L21 HydrophobicContact CG-CG 4.41Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.37Å; L17-L21 WeakPolarHBondContact O-CG 3.4Å; L17-L21 PolarHBondContact O-N 3.23Å; I18-L21 PolarHBondContact O-N 2.93Å; D19-L21 PolarHBondContact O-N 2.87Å; L21-D25 PolarHBondContact O-N 2.97Å
22W77.7Confident75.7Confident95 Ų9589 Ų8936%0.3644%0.441SS..Hα-helixtrans-71.4-47.8176.1179.1-103.6000111.8I18 D19 Q24 D25 I26 R32I18-W22 WeakPolarHBondContact O-CB 3.3Å; I18-W22 PolarHBondContact O-N 2.95Å; D19-W22 PolarHBondContact O-N 2.97Å; W22-Q24 VanDerWaalsContact C-N 3.32Å; W22-Q24 PolarHBondContact O-N 3.4Å; W22-D25 PolarHBondContact O-N 3.3Å; W22-D25 VanDerWaalsContact O-N 3.11Å; W22-I26 PolarHBondContact O-N 3.49Å; W22-R32 HydrophobicContact CH2-CB 3.63Å; W22-R32 HydrophobicContact CH2-CG 3.96Å; W22-R32 HydrophobicContact CZ2-CB 3.91Å; W22-R32 HydrophobicContact CZ2-CG 4.49Å
23N79.4Confident74.7Confident90 Ų9087 Ų8748%0.48143%0.431SS..Hα-helixtrans-64.2-36.9176.4-74.5-64.2000111.8D19 D25 I26 D27D19-N23 WeakPolarHBondContact O-CB 3.35Å; D19-N23 PolarHBondContact O-N 3.26Å; D19-N23 PolarHBondContact O-ND2 3.2Å; N23-D25 VanDerWaalsContact C-N 3.32Å; N23-D25 PolarHBondContact O-N 2.95Å; N23-I26 PolarHBondContact O-N 3.43Å; N23-D27 PolarHBondContact O-N 3.04Å
24Q77.4Confident73.4Confident97 Ų9782.2 Ų82.245%0.45342%0.416SS..Hα-helixtrans-59.1-40.4170.6-77172.529.400112.7I20 W22 D27 L28I20-Q24 VanDerWaalsContact CG2-NE2 3.31Å; I20-Q24 WeakPolarHBondContact O-CB 3.5Å; I20-Q24 VanDerWaalsContact O-CG 3.23Å; I20-Q24 WeakPolarHBondContact O-CG 3.43Å; I20-Q24 PolarHBondContact O-N 2.78Å; I20-Q24 VanDerWaalsContact O-N 3.11Å; W22-Q24 VanDerWaalsContact C-N 3.32Å; W22-Q24 PolarHBondContact O-N 3.4Å; Q24-D27 PolarHBondContact O-N 2.84Å; Q24-L28 WeakPolarHBondContact O-CB 3.23Å; Q24-L28 WeakPolarHBondContact O-CD1 3.49Å; Q24-L28 WeakPolarHBondContact O-CG 3.37Å; Q24-L28 PolarHBondContact O-N 2.9Å
25D70.1Confident72.1Confident10 Ų1081.3 Ų81.35%0.05341%0.409CS..Hα-helixtrans-70.2-37.7178-86.413000112L21 W22 N23 L28 G29 A30 R521L21-D25 PolarHBondContact O-N 2.97Å; W22-D25 PolarHBondContact O-N 3.3Å; W22-D25 VanDerWaalsContact O-N 3.11Å; N23-D25 VanDerWaalsContact C-N 3.32Å; N23-D25 PolarHBondContact O-N 2.95Å; D25-L28 CarbonylContact O-C 3.57Å; D25-L28 PolarHBondContact O-N 2.65Å; D25-G29 PolarHBondContact O-N 3.01Å; D25-A30 HydrophobicContact CB-CB 4.13Å; D25-A30 CarbonylContact O-C 3.59Å; D25-A30 WeakPolarHBondContact O-CA 3.31Å; D25-A30 WeakPolarHBondContact O-CB 3.38Å; D25-A30 PolarHBondContact O-N 3.46Å; D25-R521 IonicContact OD1-CZ 3.26Å; D25-R521 IonicContact OD1-NH1 2.68Å; D25-R521 PolarHBondContact OD1-NH1 3.25Å; D25-R521 IonicContact OD1-NH2 3.53Å; D25-R521 WeakPolarHBondContact OD2-CD 3.41Å; D25-R521 IonicContact OD2-CZ 2.6Å; D25-R521 VanDerWaalsContact OD2-CZ 3.26Å; D25-R521 IonicContact OD2-NE 2.75Å; D25-R521 IonicContact OD2-NH1 3.87Å; D25-R521 PolarHBondContact OD2-NH1 2.95Å
26I71.1Confident71Confident55 Ų5580.8 Ų80.828%0.28241%0.408SS..Hα-helixtrans-59.3-48.4171.6-68.9172.7000111.3W22 N23 L28 G29 R31W22-I26 PolarHBondContact O-N 3.49Å; N23-I26 PolarHBondContact O-N 3.43Å; I26-L28 PolarHBondContact O-N 3.07Å; I26-G29 PolarHBondContact O-N 2.74Å; I26-R31 HydrophobicContact CG1-CG 4.5Å; I26-R31 HydrophobicContact CG2-CG 4.42Å
27D73.2Confident69.9Low149 Ų14981.2 Ų81.280%0.79741%0.409SS*.Hα-helixtrans-64-28.8177.6-91.4-17.8000113N23 Q24 G29N23-D27 PolarHBondContact O-N 3.04Å; Q24-D27 PolarHBondContact O-N 2.84Å; D27-G29 VanDerWaalsContact C-N 3.27Å
28L68.3Low68.7Low92 Ų9283 Ų8348%0.48242%0.419SS..THydrogen-bonded Turntrans-84.74.3174.7-69169.1000113.5Q24 D25 I26 A30Q24-L28 WeakPolarHBondContact O-CB 3.23Å; Q24-L28 WeakPolarHBondContact O-CD1 3.49Å; Q24-L28 WeakPolarHBondContact O-CG 3.37Å; Q24-L28 PolarHBondContact O-N 2.9Å; D25-L28 CarbonylContact O-C 3.57Å; D25-L28 PolarHBondContact O-N 2.65Å; I26-L28 PolarHBondContact O-N 3.07Å; L28-A30 VanDerWaalsContact C-N 3.31Å
29G59.5Low68.1Low51 Ų5182.3 Ų82.353%0.52641%0.414SS..THydrogen-bonded Turntrans82.10.7179.100000115D25 I26 D27 R31D25-G29 PolarHBondContact O-N 3.01Å; I26-G29 PolarHBondContact O-N 2.74Å; D27-G29 VanDerWaalsContact C-N 3.27Å; G29-R31 VanDerWaalsContact C-N 3.29Å; G29-R31 PolarHBondContact O-N 3.35Å; G29-R31 VanDerWaalsContact O-N 3.16Å
30A63.2Low67.2Low12 Ų1284.1 Ų84.110%0.09941%0.414CS..  trans-88.760.8178.100000110.8D25 L28 F35D25-A30 HydrophobicContact CB-CB 4.13Å; D25-A30 CarbonylContact O-C 3.59Å; D25-A30 WeakPolarHBondContact O-CA 3.31Å; D25-A30 WeakPolarHBondContact O-CB 3.38Å; D25-A30 PolarHBondContact O-N 3.46Å; L28-A30 VanDerWaalsContact C-N 3.31Å; A30-F35 HydrophobicContact CB-CE2 3.92Å; A30-F35 HydrophobicContact CB-CZ 4.16Å; A30-F35 WeakPolarHBondContact O-CE2 3.48Å
31R63.6Low66.3Low111 Ų11185.8 Ų85.842%0.41942%0.42SS..  trans-66.3164177.9-64-168.8167.6-153.5-7.5112.1I26 G29 E33 V34I26-R31 HydrophobicContact CG1-CG 4.5Å; I26-R31 HydrophobicContact CG2-CG 4.42Å; G29-R31 VanDerWaalsContact C-N 3.29Å; G29-R31 PolarHBondContact O-N 3.35Å; G29-R31 VanDerWaalsContact O-N 3.16Å; R31-E33 HydrophobicContact CB-CB 4.39Å; R31-E33 WeakPolarHBondContact CB-OE1 3.38Å; R31-E33 WeakPolarHBondContact CD-OE1 3.1Å; R31-E33 IonicContact NH1-OE1 2.83Å; R31-E33 PolarHBondContact O-N 3.46Å; R31-E33 VanDerWaalsContact O-N 3.14Å; R31-V34 WeakPolarHBondContact O-CB 3.4Å; R31-V34 PolarHBondContact O-N 3.36Å
32R56.9Low65.9Low174 Ų17489.8 Ų89.866%0.65744%0.435SS*.Hα-helixtrans-48.2-42172.9-170.6173.1-82.8-128.6-1.1112W22 V34 F35 D36W22-R32 HydrophobicContact CH2-CB 3.63Å; W22-R32 HydrophobicContact CH2-CG 3.96Å; W22-R32 HydrophobicContact CZ2-CB 3.91Å; W22-R32 HydrophobicContact CZ2-CG 4.49Å; R32-V34 PolarHBondContact O-N 3.4Å; R32-V34 VanDerWaalsContact O-N 3.1Å; R32-F35 PolarHBondContact O-N 3Å; R32-D36 PolarHBondContact O-N 2.86Å
33E58.5Low65.8Low90 Ų9091.3 Ų91.342%0.42145%0.446SS..Hα-helixtrans-53.4-24.2176-60.1157.3-88.300114.2R31 H39R31-E33 HydrophobicContact CB-CB 4.39Å; R31-E33 WeakPolarHBondContact CB-OE1 3.38Å; R31-E33 WeakPolarHBondContact CD-OE1 3.1Å; R31-E33 IonicContact NH1-OE1 2.83Å; R31-E33 PolarHBondContact O-N 3.46Å; R31-E33 VanDerWaalsContact O-N 3.14Å; E33-H39 PolarHBondContact O-ND1 2.81Å
34V56Low65.6Low65 Ų6592.7 Ų92.739%0.39445%0.449SS..Hα-helixtrans-85.8-27.7177.3-173.90000111.4R31 R32 R40R31-V34 WeakPolarHBondContact O-CB 3.4Å; R31-V34 PolarHBondContact O-N 3.36Å; R32-V34 PolarHBondContact O-N 3.4Å; R32-V34 VanDerWaalsContact O-N 3.1Å; V34-R40 PolarHBondContact O-NE 3.44Å; V34-R40 PolarHBondContact O-NH2 3.03Å
35F54.4Low66Low48 Ų4893.7 Ų93.721%0.21145%0.454CS..Hα-helixtrans-94-24.8179.5-63.2-74.9000113.1A30 R32 I37A30-F35 HydrophobicContact CB-CE2 3.92Å; A30-F35 HydrophobicContact CB-CZ 4.16Å; A30-F35 WeakPolarHBondContact O-CE2 3.48Å; R32-F35 PolarHBondContact O-N 3Å; F35-I37 PolarHBondContact O-N 2.84Å
36D61.3Low66.9Low70 Ų7097.5 Ų97.537%0.37447%0.474SS..  trans-61.4118.1170-175.8-27.2000110.6R32 N38 H39 R40R32-D36 PolarHBondContact O-N 2.86Å; D36-N38 WeakPolarHBondContact OD1-CA 3.43Å; D36-N38 WeakPolarHBondContact OD1-CB 3.26Å; D36-N38 PolarHBondContact OD1-N 3.09Å; D36-H39 HydrophobicContact CB-CB 3.92Å; D36-H39 PolarHBondContact OD1-N 3.11Å; D36-H39 VanDerWaalsContact OD1-N 3.07Å; D36-R40 VanDerWaalsContact O-CB 3.31Å; D36-R40 WeakPolarHBondContact O-CB 3.16Å; D36-R40 PolarHBondContact O-N 3.06Å
37I57.6Low67.5Low80 Ų80102.1 Ų102.141%0.4149%0.488SS..Hα-helixtrans-69.9-37.4-176.9-64.8170.3000110.9F35 R40 Q41 V529F35-I37 PolarHBondContact O-N 2.84Å; I37-R40 PolarHBondContact O-N 2.91Å; I37-Q41 VanDerWaalsContact O-CB 3.22Å; I37-Q41 WeakPolarHBondContact O-CB 3.48Å; I37-Q41 PolarHBondContact O-N 2.86Å; I37-V529 HydrophobicContact CD1-CG1 4.13Å; I37-V529 HydrophobicContact CD1-CG2 4.41Å
38N63.5Low68.1Low127 Ų127102 Ų10268%0.67948%0.476SS*.Hα-helixtrans-67.3-44178.1-67.9-72.5000110.7D36 Q41 K42D36-N38 WeakPolarHBondContact OD1-CA 3.43Å; D36-N38 WeakPolarHBondContact OD1-CB 3.26Å; D36-N38 PolarHBondContact OD1-N 3.09Å; N38-Q41 PolarHBondContact O-N 2.83Å; N38-K42 VanDerWaalsContact O-CB 3.26Å; N38-K42 WeakPolarHBondContact O-CB 3.4Å; N38-K42 PolarHBondContact O-N 3.3Å
39H67Low69Low73 Ų73104.1 Ų104.134%0.33848%0.484SS..Hα-helixtrans-62.7-47.4175.9-175.2-95000111.5E33 D36 Q41 K42 E43E33-H39 PolarHBondContact O-ND1 2.81Å; D36-H39 HydrophobicContact CB-CB 3.92Å; D36-H39 PolarHBondContact OD1-N 3.11Å; D36-H39 VanDerWaalsContact OD1-N 3.07Å; H39-Q41 PolarHBondContact O-N 2.8Å; H39-K42 PolarHBondContact O-N 3.42Å; H39-E43 PolarHBondContact O-N 3.3Å
40R63.1Low70.5Confident124 Ų124107.8 Ų107.847%0.46848%0.481SS..Hα-helixtrans-59-43.9176.5179-168.5-67.6-115.31.8112.8V34 D36 I37 E43 H44V34-R40 PolarHBondContact O-NE 3.44Å; V34-R40 PolarHBondContact O-NH2 3.03Å; D36-R40 VanDerWaalsContact O-CB 3.31Å; D36-R40 WeakPolarHBondContact O-CB 3.16Å; D36-R40 PolarHBondContact O-N 3.06Å; I37-R40 PolarHBondContact O-N 2.91Å; R40-E43 PolarHBondContact O-N 2.65Å; R40-H44 WeakPolarHBondContact O-CB 3.42Å; R40-H44 PolarHBondContact O-N 3.34Å
41Q66.9Low71.7Confident129 Ų129111.5 Ų111.560%0.60350%0.497SS*.Hα-helixtrans-66-42.4179.6-176.6165.8-22.800110.9I37 N38 H39 H44 E45I37-Q41 VanDerWaalsContact O-CB 3.22Å; I37-Q41 WeakPolarHBondContact O-CB 3.48Å; I37-Q41 PolarHBondContact O-N 2.86Å; N38-Q41 PolarHBondContact O-N 2.83Å; H39-Q41 PolarHBondContact O-N 2.8Å; Q41-H44 PolarHBondContact O-N 3.34Å; Q41-E45 WeakPolarHBondContact O-CB 3.33Å; Q41-E45 PolarHBondContact O-N 2.92Å
42K75.4Confident73.1Confident144 Ų144110 Ų11063%0.62650%0.496SS*.Hα-helixtrans-64.4-39.7174.6-171.2173.1-175.8173.60112.8N38 H39 E45 L46N38-K42 VanDerWaalsContact O-CB 3.26Å; N38-K42 WeakPolarHBondContact O-CB 3.4Å; N38-K42 PolarHBondContact O-N 3.3Å; H39-K42 PolarHBondContact O-N 3.42Å; K42-E45 PolarHBondContact O-N 2.66Å; K42-L46 VanDerWaalsContact O-CB 3.24Å; K42-L46 WeakPolarHBondContact O-CB 3.35Å; K42-L46 PolarHBondContact O-N 2.95Å
43E75.8Confident74.6Confident126 Ų126106.4 Ų106.459%0.58949%0.487SS*.Hα-helixtrans-63.1-44.3173.5-172.3-175178.400111.2H39 R40 L46 R47H39-E43 PolarHBondContact O-N 3.3Å; R40-E43 PolarHBondContact O-N 2.65Å; E43-L46 PolarHBondContact O-N 3.46Å; E43-R47 VanDerWaalsContact O-CB 3.24Å; E43-R47 WeakPolarHBondContact O-CB 3.29Å; E43-R47 PolarHBondContact O-N 2.88Å
44H74.8Confident76.2Confident119 Ų119107.4 Ų107.455%0.55149%0.492SS*.Hα-helixtrans-65.4-38.3178.4-168.5-45.2000112.3R40 Q41 R48R40-H44 WeakPolarHBondContact O-CB 3.42Å; R40-H44 PolarHBondContact O-N 3.34Å; Q41-H44 PolarHBondContact O-N 3.34Å; H44-R48 PolarHBondContact O-N 3.41Å
45E86.1Confident77.9Confident119 Ų119110.8 Ų110.856%0.55650%0.503SS*.Hα-helixtrans-67.7-48.2175.7-178.8164.4-132.700111.8Q41 K42 R47 R48 Q49Q41-E45 WeakPolarHBondContact O-CB 3.33Å; Q41-E45 PolarHBondContact O-N 2.92Å; K42-E45 PolarHBondContact O-N 2.66Å; E45-R47 PolarHBondContact O-N 3.23Å; E45-R48 WeakPolarHBondContact O-CB 3.29Å; E45-R48 PolarHBondContact O-N 2.89Å; E45-R48 VanDerWaalsContact O-N 3.14Å; E45-Q49 WeakPolarHBondContact O-CB 3.41Å; E45-Q49 PolarHBondContact O-N 2.91Å
46L88.2Confident79.8Confident89 Ų89115.2 Ų115.247%0.46652%0.523SS..Hα-helixtrans-63.1-32.6177.6-166.2154.2000111.6K42 E43 R50K42-L46 VanDerWaalsContact O-CB 3.24Å; K42-L46 WeakPolarHBondContact O-CB 3.35Å; K42-L46 PolarHBondContact O-N 2.95Å; E43-L46 PolarHBondContact O-N 3.46Å; L46-R50 PolarHBondContact O-N 3.27Å; L46-R50 VanDerWaalsContact O-N 3.09Å
47R83.6Confident81.3Confident152 Ų152117.2 Ų117.257%0.57453%0.528SS*.Hα-helixtrans-64.7-51.5170.4178.9173.9177.7152.26.1112.2E43 E45 Q49 R50 E51E43-R47 VanDerWaalsContact O-CB 3.24Å; E43-R47 WeakPolarHBondContact O-CB 3.29Å; E43-R47 PolarHBondContact O-N 2.88Å; E45-R47 PolarHBondContact O-N 3.23Å; R47-Q49 PolarHBondContact O-N 3.33Å; R47-R50 PolarHBondContact O-N 2.95Å; R47-R50 VanDerWaalsContact O-N 3.12Å; R47-E51 WeakPolarHBondContact CG-OE1 3.49Å; R47-E51 IonicContact CZ-OE1 2.77Å; R47-E51 IonicContact NE-OE1 3Å; R47-E51 PolarHBondContact NE-OE1 2.97Å; R47-E51 IonicContact NH2-OE1 2.61Å; R47-E51 PolarHBondContact NH2-OE1 2.91Å; R47-E51 WeakPolarHBondContact O-CG 3.45Å; R47-E51 PolarHBondContact O-N 3.33Å
48R87.3Confident83Confident147 Ų147118.9 Ų118.956%0.55554%0.537SS*.Hα-helixtrans-56.3-40.4175.7-174.5-160.7-68.1153.5-4111H44 E45 E51 L52H44-R48 PolarHBondContact O-N 3.41Å; E45-R48 WeakPolarHBondContact O-CB 3.29Å; E45-R48 PolarHBondContact O-N 2.89Å; E45-R48 VanDerWaalsContact O-N 3.14Å; R48-E51 PolarHBondContact O-N 3.26Å; R48-L52 WeakPolarHBondContact O-CB 3.42Å; R48-L52 PolarHBondContact O-N 3.39Å
49Q87.1Confident84.5Confident137 Ų137118.2 Ų118.264%0.6453%0.529SS*.Hα-helixtrans-63.2-41.2178.2-168.6176.723.600112.1E45 R47 E53E45-Q49 WeakPolarHBondContact O-CB 3.41Å; E45-Q49 PolarHBondContact O-N 2.91Å; R47-Q49 PolarHBondContact O-N 3.33Å; Q49-E53 WeakPolarHBondContact O-CB 3.26Å; Q49-E53 PolarHBondContact O-N 3.46Å
50R89.4Confident85.8Confident128 Ų128120 Ų12048%0.48354%0.541SS..Hα-helixtrans-67-44.7174.3-170.3-169.4-53.7146.411.2112.3L46 R47 L52 E53 E54L46-R50 PolarHBondContact O-N 3.27Å; L46-R50 VanDerWaalsContact O-N 3.09Å; R47-R50 PolarHBondContact O-N 2.95Å; R47-R50 VanDerWaalsContact O-N 3.12Å; R50-L52 VanDerWaalsContact C-N 3.25Å; R50-L52 PolarHBondContact O-N 3.22Å; R50-E53 WeakPolarHBondContact O-CB 3.42Å; R50-E53 PolarHBondContact O-N 3.15Å; R50-E54 VanDerWaalsContact CD-OE1 3.31Å; R50-E54 WeakPolarHBondContact CD-OE1 3.33Å; R50-E54 HydrophobicContact CG-CG 4.41Å; R50-E54 WeakPolarHBondContact CG-OE1 3.46Å; R50-E54 WeakPolarHBondContact O-CG 3.44Å; R50-E54 PolarHBondContact O-N 3.21Å
51E89.6Confident87.2Confident90 Ų90120.3 Ų120.342%0.42155%0.55SS..Hα-helixtrans-58.9-40178.6-71.7165.3171.200110.5R47 R48 E54 E55R47-E51 WeakPolarHBondContact CG-OE1 3.49Å; R47-E51 IonicContact CZ-OE1 2.77Å; R47-E51 IonicContact NE-OE1 3Å; R47-E51 PolarHBondContact NE-OE1 2.97Å; R47-E51 IonicContact NH2-OE1 2.61Å; R47-E51 PolarHBondContact NH2-OE1 2.91Å; R47-E51 WeakPolarHBondContact O-CG 3.45Å; R47-E51 PolarHBondContact O-N 3.33Å; R48-E51 PolarHBondContact O-N 3.26Å; E51-E54 PolarHBondContact O-N 3.32Å; E51-E55 WeakPolarHBondContact O-CB 3.46Å; E51-E55 PolarHBondContact O-N 2.89Å
52L91.9Very high88.4Confident78 Ų78119.9 Ų119.941%0.40855%0.547SS..Hα-helixtrans-71-31.5174.1-164.8155.7000113.2R48 R50 K56R48-L52 WeakPolarHBondContact O-CB 3.42Å; R48-L52 PolarHBondContact O-N 3.39Å; R50-L52 VanDerWaalsContact C-N 3.25Å; R50-L52 PolarHBondContact O-N 3.22Å; L52-K56 HydrophobicContact CD2-CD 3.85Å; L52-K56 VanDerWaalsContact CD2-CE 3.45Å; L52-K56 HydrophobicContact CD2-CG 4.42Å; L52-K56 WeakPolarHBondContact O-CB 3.49Å; L52-K56 WeakPolarHBondContact O-CG 3.4Å; L52-K56 PolarHBondContact O-N 3.37Å
53E89.5Confident89.2Confident99 Ų99118 Ų11846%0.46354%0.541SS..Hα-helixtrans-71.3-38.9173-162-162.615500112.1Q49 R50 K56 K57Q49-E53 WeakPolarHBondContact O-CB 3.26Å; Q49-E53 PolarHBondContact O-N 3.46Å; R50-E53 WeakPolarHBondContact O-CB 3.42Å; R50-E53 PolarHBondContact O-N 3.15Å; E53-K56 PolarHBondContact O-N 2.99Å; E53-K57 VanDerWaalsContact CD-NZ 3.31Å; E53-K57 VanDerWaalsContact O-CG 3.3Å; E53-K57 WeakPolarHBondContact O-CG 3.48Å; E53-K57 PolarHBondContact O-N 3.16Å; E53-K57 WeakPolarHBondContact OE1-CE 3.19Å; E53-K57 IonicContact OE1-NZ 2.72Å; E53-K57 PolarHBondContact OE1-NZ 3.43Å
54E92.4Very high89.9Confident111 Ų111118.9 Ų118.952%0.51955%0.545SS..Hα-helixtrans-68.1-41.7174.8-72.8175.4-162.600111.1R50 E51 K57 L58R50-E54 VanDerWaalsContact CD-OE1 3.31Å; R50-E54 WeakPolarHBondContact CD-OE1 3.33Å; R50-E54 HydrophobicContact CG-CG 4.41Å; R50-E54 WeakPolarHBondContact CG-OE1 3.46Å; R50-E54 WeakPolarHBondContact O-CG 3.44Å; R50-E54 PolarHBondContact O-N 3.21Å; E51-E54 PolarHBondContact O-N 3.32Å; E54-K57 PolarHBondContact O-N 3.23Å; E54-L58 WeakPolarHBondContact O-CB 3.27Å; E54-L58 PolarHBondContact O-N 3.16Å
55E90.9Very high90.6Very high137 Ų137119 Ų11964%0.6455%0.546SS*.Hα-helixtrans-59.2-46.6171.5-176.3176.6-148.600111.9E51 K57 L58 H59E51-E55 WeakPolarHBondContact O-CB 3.46Å; E51-E55 PolarHBondContact O-N 2.89Å; E55-K57 VanDerWaalsContact C-N 3.34Å; E55-K57 PolarHBondContact O-N 3.01Å; E55-L58 PolarHBondContact O-N 3.02Å; E55-H59 PolarHBondContact O-N 3.14Å
56K93.7Very high90.7Very high141 Ų141120.8 Ų120.861%0.61355%0.552SS**Hα-helixtrans-60.5-39.7175.2-81.3175175.4170.40113.1L52 E53 L60L52-K56 HydrophobicContact CD2-CD 3.85Å; L52-K56 VanDerWaalsContact CD2-CE 3.45Å; L52-K56 HydrophobicContact CD2-CG 4.42Å; L52-K56 WeakPolarHBondContact O-CB 3.49Å; L52-K56 WeakPolarHBondContact O-CG 3.4Å; L52-K56 PolarHBondContact O-N 3.37Å; E53-K56 PolarHBondContact O-N 2.99Å; K56-L60 WeakPolarHBondContact O-CB 3.37Å; K56-L60 PolarHBondContact O-N 3.07Å
57K92.7Very high90.6Very high112 Ų112118.8 Ų118.849%0.48755%0.548SS..Hα-helixtrans-66.1-39.7175.6-74.3165.6-174.3166.80111.7E53 E54 E55 M61E53-K57 VanDerWaalsContact CD-NZ 3.31Å; E53-K57 VanDerWaalsContact O-CG 3.3Å; E53-K57 WeakPolarHBondContact O-CG 3.48Å; E53-K57 PolarHBondContact O-N 3.16Å; E53-K57 WeakPolarHBondContact OE1-CE 3.19Å; E53-K57 IonicContact OE1-NZ 2.72Å; E53-K57 PolarHBondContact OE1-NZ 3.43Å; E54-K57 PolarHBondContact O-N 3.23Å; E55-K57 VanDerWaalsContact C-N 3.34Å; E55-K57 PolarHBondContact O-N 3.01Å; K57-M61 WeakPolarHBondContact O-CB 3.35Å; K57-M61 PolarHBondContact O-N 3.15Å
58L94.8Very high90.7Very high115 Ų115116.6 Ų116.660%0.60255%0.547SS*.Hα-helixtrans-67.8-42.7176.8-169.9149.1000111.4E54 E55 M61 Q62E54-L58 WeakPolarHBondContact O-CB 3.27Å; E54-L58 PolarHBondContact O-N 3.16Å; E55-L58 PolarHBondContact O-N 3.02Å; L58-M61 PolarHBondContact O-N 3.33Å; L58-Q62 WeakPolarHBondContact O-CB 3.4Å; L58-Q62 PolarHBondContact O-N 3.44Å
59H93.5Very high90.5Very high112 Ų112113.9 Ų113.952%0.51954%0.543SS..Hα-helixtrans-59.3-48.3173-175.9-73.9000111.7E55 M61 Q62 E63E55-H59 PolarHBondContact O-N 3.14Å; H59-M61 VanDerWaalsContact C-N 3.31Å; H59-M61 PolarHBondContact O-N 3.41Å; H59-Q62 PolarHBondContact O-N 2.96Å; H59-E63 IonicContact CE1-OE2 3.59Å; H59-E63 IonicContact ND1-OE2 3.64Å; H59-E63 VanDerWaalsContact O-CB 3.32Å; H59-E63 WeakPolarHBondContact O-CB 3.27Å; H59-E63 PolarHBondContact O-N 2.89Å
60L95.3Very high90.3Very high112 Ų112110.4 Ų110.459%0.58654%0.538SS*.Hα-helixtrans-62-38.2178.6-178.662.8000112.2K56 E63 Q64K56-L60 WeakPolarHBondContact O-CB 3.37Å; K56-L60 PolarHBondContact O-N 3.07Å; L60-E63 PolarHBondContact O-N 3.36Å; L60-Q64 WeakPolarHBondContact O-CB 3.45Å; L60-Q64 PolarHBondContact O-N 3.17Å
61M92.6Very high89.8Confident130 Ų130110.4 Ų110.464%0.6454%0.543SS*.Hα-helixtrans-65.5-44.4175-172.1-176.2-58.100111.7K57 L58 H59 E63 Q64 E65K57-M61 WeakPolarHBondContact O-CB 3.35Å; K57-M61 PolarHBondContact O-N 3.15Å; L58-M61 PolarHBondContact O-N 3.33Å; H59-M61 VanDerWaalsContact C-N 3.31Å; H59-M61 PolarHBondContact O-N 3.41Å; M61-E63 VanDerWaalsContact C-N 3.34Å; M61-Q64 PolarHBondContact O-N 2.9Å; M61-E65 WeakPolarHBondContact O-CB 3.25Å; M61-E65 PolarHBondContact O-N 3.22Å
62Q92Very high89.5Confident119 Ų119108.7 Ų108.756%0.55654%0.537SS*.Hα-helixtrans-66.5-35.2176.8-170.6177.934.800112.1L58 H59 K66L58-Q62 WeakPolarHBondContact O-CB 3.4Å; L58-Q62 PolarHBondContact O-N 3.44Å; H59-Q62 PolarHBondContact O-N 2.96Å; Q62-K66 WeakPolarHBondContact O-CB 3.34Å; Q62-K66 PolarHBondContact O-N 3.08Å
63E91.6Very high88.9Confident106 Ų106110.5 Ų110.550%0.49554%0.543SS..Hα-helixtrans-68.2-40.9173.6-175.9168.3-161.800111.6H59 L60 M61 K66 A67H59-E63 IonicContact CE1-OE2 3.59Å; H59-E63 IonicContact ND1-OE2 3.64Å; H59-E63 VanDerWaalsContact O-CB 3.32Å; H59-E63 WeakPolarHBondContact O-CB 3.27Å; H59-E63 PolarHBondContact O-N 2.89Å; L60-E63 PolarHBondContact O-N 3.36Å; M61-E63 VanDerWaalsContact C-N 3.34Å; E63-K66 PolarHBondContact O-N 2.86Å; E63-A67 VanDerWaalsContact O-CB 3.26Å; E63-A67 WeakPolarHBondContact O-CB 3.38Å; E63-A67 PolarHBondContact O-N 3.06Å
64Q91.3Very high87.9Confident143 Ų143109.6 Ų109.667%0.66854%0.541SS*.Hα-helixtrans-64-43.5173.5-172.8178.920.900112L60 M61 A67 L68L60-Q64 WeakPolarHBondContact O-CB 3.45Å; L60-Q64 PolarHBondContact O-N 3.17Å; M61-Q64 PolarHBondContact O-N 2.9Å; Q64-A67 PolarHBondContact O-N 3.47Å; Q64-L68 WeakPolarHBondContact O-CB 3.44Å; Q64-L68 PolarHBondContact O-N 3.38Å
65E88.6Confident87.2Confident123 Ų123106.4 Ų106.458%0.57553%0.528SS*.Hα-helixtrans-60.3-49.1173.7-178.8179.6-158.600110.9M61 A67 L68 L69M61-E65 WeakPolarHBondContact O-CB 3.25Å; M61-E65 PolarHBondContact O-N 3.22Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 2.88Å; E65-L68 PolarHBondContact O-N 3.09Å; E65-L68 VanDerWaalsContact O-N 3.17Å; E65-L69 HydrophobicContact CG-CD1 4.1Å; E65-L69 WeakPolarHBondContact O-CG 3.45Å; E65-L69 PolarHBondContact O-N 3.3Å
66K88.5Confident86.6Confident155 Ų155109 Ų10967%0.67454%0.539SS*.Hα-helixtrans-60.2-38.8176.3-176.9-176.1177.7-172.10112.4Q62 E63 L69 A70Q62-K66 WeakPolarHBondContact O-CB 3.34Å; Q62-K66 PolarHBondContact O-N 3.08Å; E63-K66 PolarHBondContact O-N 2.86Å; K66-L69 PolarHBondContact O-N 2.67Å; K66-A70 VanDerWaalsContact O-CB 3.29Å; K66-A70 WeakPolarHBondContact O-CB 3.25Å; K66-A70 PolarHBondContact O-N 3.34Å
67A85.7Confident85.6Confident48 Ų48111.2 Ų111.240%0.39755%0.552SS.*Hα-helixtrans-70-32.4176.900000112.7E63 Q64 E65 Q71E63-A67 VanDerWaalsContact O-CB 3.26Å; E63-A67 WeakPolarHBondContact O-CB 3.38Å; E63-A67 PolarHBondContact O-N 3.06Å; Q64-A67 PolarHBondContact O-N 3.47Å; E65-A67 VanDerWaalsContact C-N 3.32Å; E65-A67 PolarHBondContact O-N 2.88Å; A67-Q71 WeakPolarHBondContact O-CG 3.31Å; A67-Q71 PolarHBondContact O-NE2 3.44Å
68L85.4Confident84.5Confident105 Ų105110.3 Ų110.355%0.5556%0.556SS.*Hα-helixtrans-70.1-45.5171.4-174.9153.1000110.9Q64 E65 A70 Q71 L72Q64-L68 WeakPolarHBondContact O-CB 3.44Å; Q64-L68 PolarHBondContact O-N 3.38Å; E65-L68 PolarHBondContact O-N 3.09Å; E65-L68 VanDerWaalsContact O-N 3.17Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 2.89Å; L68-Q71 WeakPolarHBondContact O-CB 3.14Å; L68-Q71 PolarHBondContact O-N 3.41Å; L68-Q71 VanDerWaalsContact O-N 3.16Å; L68-L72 HydrophobicContact CD2-CD1 3.99Å
69L83.3Confident83.6Confident91 Ų91107.1 Ų107.148%0.47655%0.551SS.*Hα-helixtrans-63.2-35.8176-69.1171.8000112.4E65 K66 Q71 L72E65-L69 HydrophobicContact CG-CD1 4.1Å; E65-L69 WeakPolarHBondContact O-CG 3.45Å; E65-L69 PolarHBondContact O-N 3.3Å; K66-L69 PolarHBondContact O-N 2.67Å; L69-Q71 PolarHBondContact O-N 3.09Å; L69-L72 HydrophobicContact CD2-CD1 4.45Å; L69-L72 PolarHBondContact O-N 3.09Å
70A82.9Confident82.8Confident63 Ų63107.9 Ų107.952%0.52156%0.555SS.*THydrogen-bonded Turntrans-68.4-16.8176.200000114.3K66 L68K66-A70 VanDerWaalsContact O-CB 3.29Å; K66-A70 WeakPolarHBondContact O-CB 3.25Å; K66-A70 PolarHBondContact O-N 3.34Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 2.89Å
71Q80.8Confident81.9Confident128 Ų128109.9 Ų109.960%0.59856%0.556SS**THydrogen-bonded Turntrans-88.3-4171.8-71.8168.680.500112.8A67 L68 L69 R84A67-Q71 WeakPolarHBondContact O-CG 3.31Å; A67-Q71 PolarHBondContact O-NE2 3.44Å; L68-Q71 WeakPolarHBondContact O-CB 3.14Å; L68-Q71 PolarHBondContact O-N 3.41Å; L68-Q71 VanDerWaalsContact O-N 3.16Å; L69-Q71 PolarHBondContact O-N 3.09Å; Q71-R84 VanDerWaalsContact O-CB 3.32Å; Q71-R84 WeakPolarHBondContact O-CB 3.49Å; Q71-R84 PolarHBondContact O-N 2.85Å
72L82.1Confident81.2Confident54 Ų54107.8 Ų107.828%0.28355%0.546SS..EExtended strand (participates in β ladder)trans-105.1139175.5-65.7167.3000109.9L68 L69 Y81 P83L68-L72 HydrophobicContact CD2-CD1 3.99Å; L69-L72 HydrophobicContact CD2-CD1 4.45Å; L69-L72 PolarHBondContact O-N 3.09Å; L72-Y81 HydrophobicContact CB-CD1 4.18Å; L72-P83 HydrophobicContact CD2-CG 4.28Å
73Q78.8Confident80.4Confident116 Ų116106.9 Ų106.954%0.54255%0.551SS.*EExtended strand (participates in β ladder)trans-115.9129.8169.4-178.4169.3-17.900108.2D75 I82Q73-D75 PolarHBondContact O-N 3.18Å; Q73-I82 PolarHBondContact N-O 2.9Å; Q73-I82 PolarHBondContact O-N 3.29Å
74L70.3Confident79.3Confident80 Ų80109.7 Ų109.742%0.41956%0.557SS.*EExtended strand (participates in β ladder)trans-73.8125.7172-175.3145.4000108.5Y81L74-Y81 HydrophobicContact CB-CD1 4.16Å; L74-Y81 HydrophobicContact CB-CE1 4.04Å; L74-Y81 HydrophobicContact CD1-CE1 4.1Å; L74-Y81 HydrophobicContact CD1-CE2 4.2Å
75D77.3Confident78Confident45 Ų45107.8 Ų107.824%0.24156%0.557CS.*  trans-78.1127.5173.3174.833.2000110.5Q73 E77 T78 G79 E80 I82Q73-D75 PolarHBondContact O-N 3.18Å; D75-E77 VanDerWaalsContact C-N 3.33Å; D75-E77 PolarHBondContact OD1-N 3.35Å; D75-T78 WeakPolarHBondContact OD2-CA 3.5Å; D75-T78 WeakPolarHBondContact OD2-CB 3.39Å; D75-T78 PolarHBondContact OD2-N 3.06Å; D75-T78 PolarHBondContact OD2-OG1 3.41Å; D75-G79 WeakPolarHBondContact O-CA 3.5Å; D75-G79 PolarHBondContact O-N 3.19Å; D75-E80 PolarHBondContact N-O 2.97Å; D75-I82 HydrophobicContact CB-CD1 3.94Å; D75-I82 HydrophobicContact CB-CG1 4.46Å
76E77.3Confident76.6Confident190 Ų190107.4 Ų107.489%0.88857%0.565SS**THydrogen-bonded Turntrans-77.8-17-178.1-63-172.5160.900112.9
77E72.8Confident74.8Confident188 Ų188106.3 Ų106.388%0.87957%0.574SS**THydrogen-bonded Turntrans-89.5-40.6177.7-167.4167-173.800112.6D75D75-E77 VanDerWaalsContact C-N 3.33Å; D75-E77 PolarHBondContact OD1-N 3.35Å
78T70.1Confident72.9Confident93 Ų93109.6 Ų109.657%0.57159%0.594SS**THydrogen-bonded Turntrans-101.3-23.9-178.3-38.10000113.8D75 E80D75-T78 WeakPolarHBondContact OD2-CA 3.5Å; D75-T78 WeakPolarHBondContact OD2-CB 3.39Å; D75-T78 PolarHBondContact OD2-N 3.06Å; D75-T78 PolarHBondContact OD2-OG1 3.41Å; T78-E80 VanDerWaalsContact C-N 3.33Å; T78-E80 HydrophobicContact CG2-CG 4.07Å
79G74.9Confident70.8Confident48 Ų48109 Ų10950%0.49560%0.604SS.*  trans79.18.9-176.100000115.2D75D75-G79 WeakPolarHBondContact O-CA 3.5Å; D75-G79 PolarHBondContact O-N 3.19Å
80E77.6Confident69.1Low129 Ų129110.6 Ų110.660%0.60362%0.62SS**  trans-97.5154.5-178.2-64.1-170.2164.900112.3D75 T78D75-E80 PolarHBondContact N-O 2.97Å; T78-E80 VanDerWaalsContact C-N 3.33Å; T78-E80 HydrophobicContact CG2-CG 4.07Å
81Y75.3Confident66.9Low153 Ų153115.8 Ų115.860%0.664%0.638SS**EExtended strand (participates in β ladder)trans-89.6107.9178.4-73-85.5000111L72 L74L72-Y81 HydrophobicContact CB-CD1 4.18Å; L74-Y81 HydrophobicContact CB-CD1 4.16Å; L74-Y81 HydrophobicContact CB-CE1 4.04Å; L74-Y81 HydrophobicContact CD1-CE1 4.1Å; L74-Y81 HydrophobicContact CD1-CE2 4.2Å
82I78.3Confident64.8Low87 Ų87118.5 Ų118.545%0.44665%0.65SS.*EExtended strand (participates in β ladder)trans-102.6137.3-176.3-56.7-178.1000110.2Q73 D75 R84Q73-I82 PolarHBondContact N-O 2.9Å; Q73-I82 PolarHBondContact O-N 3.29Å; D75-I82 HydrophobicContact CB-CD1 3.94Å; D75-I82 HydrophobicContact CB-CG1 4.46Å; I82-R84 PolarHBondContact O-N 2.91Å
83P75.6Confident63.2Low100 Ų100120.8 Ų120.865%0.64967%0.669SS**EExtended strand (participates in β ladder)trans-59.2130174.1-25.735.5000113.2L72L72-P83 HydrophobicContact CD2-CG 4.28Å
84R68.7Low60.8Low165 Ų165121.7 Ų121.762%0.62368%0.682SS**PPolyproline II helixtrans-73.1126-176.6-165.4177.5-167.7172.62.9110.8Q71 I82Q71-R84 VanDerWaalsContact O-CB 3.32Å; Q71-R84 WeakPolarHBondContact O-CB 3.49Å; Q71-R84 PolarHBondContact O-N 2.85Å; I82-R84 PolarHBondContact O-N 2.91Å
85P63.2Low59.1Low103 Ų103125.5 Ų125.567%0.66970%0.701SS**PPolyproline II helixtrans-67.7147.8179.727.5-34.4000111.7
86P58.9Low57.1Low115 Ų115129.5 Ų129.575%0.74773%0.728SS**PPolyproline II helixtrans-68.1148.1178.729-35.3000111.5S88P86-S88 PolarHBondContact O-N 2.88Å
87P52.3Low55.3Low132 Ų132126.2 Ų126.286%0.85772%0.723SS**PPolyproline II helixtrans-67116.9178.827.5-33.8000110.8
88S45Very low53.4Low117 Ų117125.2 Ų125.282%0.81872%0.723SS**PPolyproline II helixtrans-72.1138173.638.50000111.3P86P86-S88 PolarHBondContact O-N 2.88Å
89A42.3Very low51.6Low91 Ų91125.6 Ų125.675%0.75274%0.735SS**PPolyproline II helixtrans-67.4146.1-173.400000112.7
90P46.9Very low49.7Very low125 Ų125129.6 Ų129.681%0.81275%0.75SS**PPolyproline II helixtrans-74.3137.1-171.829.2-35.3000113.3
91L36.8Very low47.6Very low172 Ų172129.8 Ų129.890%0.90176%0.76SS**PPolyproline II helixtrans-80.3149.4165.7-70.4171.4000110.9
92Q35.9Very low45.7Very low185 Ų185131 Ų13186%0.86477%0.771SS**PPolyproline II helixtrans-74.1160.1-175-77-79.8-28.300113.2
93P48.6Very low43.6Very low103 Ų103134.7 Ų134.767%0.66979%0.791SS**PPolyproline II helixtrans-103.2164.1-147.738.9-38.7000116.3
94T29.2Very low41.6Very low135 Ų135134.9 Ų134.983%0.82880%0.801SS**  trans-153.1153149.2-34.90000110.8
95I33.9Very low39.9Very low159 Ų159130.5 Ų130.582%0.81581%0.808SS**  trans7898.6168.4-47.5179.4000116.7
96T36.3Very low38.1Very low130 Ų130135.7 Ų135.780%0.79882%0.82SS**  trans-74.8152.9155.234.20000110.5
97P39.6Very low37.1Very low120 Ų120136.1 Ų136.178%0.77982%0.821SS**  -147.414570.238.2-18.1000119.3
98L31.8Very low36.5Very low168 Ų168139.3 Ų139.388%0.8882%0.824SS**  trans61.193.1135.4-162.475.8000120.1
99A32.3Very low36Very low100 Ų100140.4 Ų140.483%0.82682%0.821SS**  trans-147.9153.3144.900000110.1
100V35.2Very low35.8Very low133 Ų133142.3 Ų142.381%0.80682%0.823SS**  trans-94.8123.1-172.4174.80000111.9
101T34.1Very low35.9Very low133 Ų133139.9 Ų139.982%0.81682%0.821SS**  trans-153.3145142.6-29.30000109.2
102Q35.4Very low36.1Very low178 Ų178139.4 Ų139.483%0.83282%0.82SS**  trans-87.7132.6176.6-62.1176.812.100109.9
103N32.7Very low36.9Very low164 Ų164135.8 Ų135.888%0.87782%0.815SS**  trans-162109.2161.2-96.6-39.7000108.9
104A34.1Very low37.2Very low104 Ų104137 Ų13786%0.8681%0.813SS**  trans-106.9138.1148.700000106.2
105G32.4Very low39.1Very low73 Ų73133.5 Ų133.575%0.75379%0.794SS**  cis125.254.1900000110.5
106F26.8Very low40.6Very low212 Ų212133.3 Ų133.393%0.9379%0.788SS**  trans-90.2118178-120.9-85.6000110.2
107T36.6Very low42.4Very low124 Ų124132.8 Ų132.876%0.76178%0.78SS**  trans-77.8139167.843.20000110D109T107-D109 PolarHBondContact O-N 3.32Å
108Q40.3Very low44.3Very low199 Ų199131 Ų13193%0.9376%0.762SS**  trans-66.5115.6171.3179178.93.600110.1
109D35.1Very low46.4Very low140 Ų140126.3 Ų126.375%0.74974%0.742SS**  trans-140.6-178.8159.2-150.4-19.4000109.6T107T107-D109 PolarHBondContact O-N 3.32Å
110T37.7Very low48.5Very low131 Ų131125.6 Ų125.680%0.80472%0.723SS**  trans-108.6114.4-134.8-50.40000113.7
111G48.6Very low50.4Low75 Ų75124.9 Ų124.977%0.77371%0.711SS**  trans72.964.1148.400000116.4
112D42Very low52.6Low161 Ų161122.5 Ų122.586%0.86169%0.693SS**  trans-130.8150149.4-136.3-27.6000110.3
113S52.7Low54.3Low110 Ų110118.5 Ų118.577%0.76968%0.677SS**  trans-93.9114.7178.5-64.10000109.1S115S113-S115 PolarHBondContact O-N 2.69Å; S113-S115 VanDerWaalsContact O-N 3.17Å
114M53.6Low56Low127 Ų127113.6 Ų113.663%0.62666%0.66SS**  trans-37.6120.3179.6-59.5-64.5-69.500110.9E118 L122M114-E118 HydrophobicContact CE-CG 3.81Å; M114-E118 VanDerWaalsContact CE-OE1 3.31Å; M114-E118 WeakPolarHBondContact CE-OE1 3.38Å; M114-L122 HydrophobicContact CE-CD1 4.29Å
115S70.3Confident57.7Low62 Ų62115.2 Ų115.243%0.43465%0.649SS.*  trans-69.7154.9-170.3700000111.4S113 D117 E118 C119S113-S115 PolarHBondContact O-N 2.69Å; S113-S115 VanDerWaalsContact O-N 3.17Å; S115-D117 VanDerWaalsContact C-N 3.26Å; S115-D117 PolarHBondContact O-N 3.27Å; S115-E118 PolarHBondContact N-OE2 2.95Å; S115-E118 WeakPolarHBondContact O-CB 3.48Å; S115-E118 PolarHBondContact O-N 3.01Å; S115-E118 VanDerWaalsContact O-N 3.08Å; S115-E118 VanDerWaalsContact OG-CB 3.26Å; S115-E118 WeakPolarHBondContact OG-CB 3.44Å; S115-E118 PolarHBondContact OG-N 2.83Å; S115-C119 PolarHBondContact O-N 3.48Å
116F65.9Low59.3Low156 Ų156116.1 Ų116.168%0.68464%0.64SS**Hα-helixtrans-58.5-39.7-179.4179.5-100.6000112.2C119 L120F116-C119 PolarHBondContact O-N 3.28Å; F116-L120 HydrophobicContact CD1-CD1 4.21Å; F116-L120 HydrophobicContact CE1-CD1 3.65Å; F116-L120 HydrophobicContact CE1-CD2 4.17Å; F116-L120 HydrophobicContact CE2-CD1 3.99Å; F116-L120 HydrophobicContact CZ-CD1 3.53Å; F116-L120 PolarHBondContact O-N 3.13Å
117D72.9Confident60.4Low119 Ų119113.2 Ų113.264%0.63663%0.627SS**Hα-helixtrans-66.1-36.2175.7-77.51.5000112.3S115 C119 L120 Q121S115-D117 VanDerWaalsContact C-N 3.26Å; S115-D117 PolarHBondContact O-N 3.27Å; D117-C119 VanDerWaalsContact C-N 3.35Å; D117-L120 WeakPolarHBondContact O-CB 3.18Å; D117-L120 PolarHBondContact O-N 2.97Å; D117-Q121 WeakPolarHBondContact O-CB 3.46Å; D117-Q121 PolarHBondContact O-N 3.42Å
118E79.2Confident61.2Low83 Ų83111.8 Ų111.839%0.38862%0.62SS.*Hα-helixtrans-67.4-36.1175.1-173.8175.5-158.100111.7M114 S115 Q121 L122M114-E118 HydrophobicContact CE-CG 3.81Å; M114-E118 VanDerWaalsContact CE-OE1 3.31Å; M114-E118 WeakPolarHBondContact CE-OE1 3.38Å; S115-E118 PolarHBondContact N-OE2 2.95Å; S115-E118 WeakPolarHBondContact O-CB 3.48Å; S115-E118 PolarHBondContact O-N 3.01Å; S115-E118 VanDerWaalsContact O-N 3.08Å; S115-E118 VanDerWaalsContact OG-CB 3.26Å; S115-E118 WeakPolarHBondContact OG-CB 3.44Å; S115-E118 PolarHBondContact OG-N 2.83Å; E118-Q121 PolarHBondContact O-N 2.95Å; E118-L122 WeakPolarHBondContact O-CB 3.4Å; E118-L122 WeakPolarHBondContact O-CG 3.46Å; E118-L122 PolarHBondContact O-N 2.96Å
119C76.6Confident61.4Low68 Ų68108.8 Ų108.846%0.45962%0.615SS.*Hα-helixtrans-67.6-37.5171.4-1640000112.3S115 F116 D117 L123S115-C119 PolarHBondContact O-N 3.48Å; F116-C119 PolarHBondContact O-N 3.28Å; D117-C119 VanDerWaalsContact C-N 3.35Å; C119-L123 WeakPolarHBondContact O-CG 3.27Å; C119-L123 PolarHBondContact O-N 3.03Å; C119-L123 VanDerWaalsContact O-N 3.13Å
120L76.1Confident61.5Low85 Ų85109.4 Ų109.445%0.44561%0.614SS.*Hα-helixtrans-65.7-40.9171.3-108.168.6000112.3F116 D117 L123 A124F116-L120 HydrophobicContact CD1-CD1 4.21Å; F116-L120 HydrophobicContact CE1-CD1 3.65Å; F116-L120 HydrophobicContact CE1-CD2 4.17Å; F116-L120 HydrophobicContact CE2-CD1 3.99Å; F116-L120 HydrophobicContact CZ-CD1 3.53Å; F116-L120 PolarHBondContact O-N 3.13Å; D117-L120 WeakPolarHBondContact O-CB 3.18Å; D117-L120 PolarHBondContact O-N 2.97Å; L120-L123 WeakPolarHBondContact O-CB 3.5Å; L120-L123 PolarHBondContact O-N 2.95Å; L120-A124 PolarHBondContact O-N 2.77Å
121Q76.1Confident61.7Low118 Ų118111.8 Ų111.855%0.55162%0.616SS**Hα-helixtrans-63.5-43.3178.3-170.267.625.300110.9D117 E118 L123 A124 E125D117-Q121 WeakPolarHBondContact O-CB 3.46Å; D117-Q121 PolarHBondContact O-N 3.42Å; E118-Q121 PolarHBondContact O-N 2.95Å; Q121-L123 VanDerWaalsContact C-N 3.33Å; Q121-L123 PolarHBondContact O-N 3.3Å; Q121-A124 WeakPolarHBondContact O-CB 3.29Å; Q121-A124 PolarHBondContact O-N 2.92Å; Q121-A124 VanDerWaalsContact O-N 3.14Å; Q121-E125 PolarHBondContact O-N 3.45Å
122L78.6Confident60.7Low83 Ų83113.5 Ų113.544%0.43561%0.612SS.*Hα-helixtrans-63.1-35.6173.7-75.7166.8000112.7M114 E118 E125 T126M114-L122 HydrophobicContact CE-CD1 4.29Å; E118-L122 WeakPolarHBondContact O-CB 3.4Å; E118-L122 WeakPolarHBondContact O-CG 3.46Å; E118-L122 PolarHBondContact O-N 2.96Å; L122-E125 PolarHBondContact O-N 2.89Å; L122-T126 WeakPolarHBondContact O-CB 3.46Å; L122-T126 WeakPolarHBondContact O-CG2 3.48Å; L122-T126 PolarHBondContact O-N 3.11Å; L122-T126 PolarHBondContact O-OG1 3.22Å
123L72.6Confident60.5Low94 Ų94111 Ų11149%0.49260%0.604SS.*Hα-helixtrans-67.1-35.9172.3-75167.7000112.2C119 L120 Q121 T126 F127C119-L123 WeakPolarHBondContact O-CG 3.27Å; C119-L123 PolarHBondContact O-N 3.03Å; C119-L123 VanDerWaalsContact O-N 3.13Å; L120-L123 WeakPolarHBondContact O-CB 3.5Å; L120-L123 PolarHBondContact O-N 2.95Å; Q121-L123 VanDerWaalsContact C-N 3.33Å; Q121-L123 PolarHBondContact O-N 3.3Å; L123-T126 WeakPolarHBondContact CA-OG1 3.21Å; L123-T126 PolarHBondContact O-OG1 3.45Å; L123-F127 HydrophobicContact CD2-CE2 4.41Å; L123-F127 PolarHBondContact O-N 2.98Å
124A68.1Low59.3Low62 Ų62112.4 Ų112.451%0.51261%0.608SS.*Hα-helixtrans-70.6-35.4174.800000113L120 Q121L120-A124 PolarHBondContact O-N 2.77Å; Q121-A124 WeakPolarHBondContact O-CB 3.29Å; Q121-A124 PolarHBondContact O-N 2.92Å; Q121-A124 VanDerWaalsContact O-N 3.14Å
125E70.2Confident58.3Low138 Ų138111.9 Ų111.965%0.64561%0.614SS**Hα-helixtrans-76.9-31.5175.4-73.6-166131.100113.6Q121 L122Q121-E125 PolarHBondContact O-N 3.45Å; L122-E125 PolarHBondContact O-N 2.89Å
126T64.4Low56.6Low91 Ų91114.9 Ų114.956%0.55863%0.632SS**Hα-helixtrans-81-20.3177.949.20000113.9L122 L123 P128L122-T126 WeakPolarHBondContact O-CB 3.46Å; L122-T126 WeakPolarHBondContact O-CG2 3.48Å; L122-T126 PolarHBondContact O-N 3.11Å; L122-T126 PolarHBondContact O-OG1 3.22Å; L123-T126 WeakPolarHBondContact CA-OG1 3.21Å; L123-T126 PolarHBondContact O-OG1 3.45Å; T126-P128 VanDerWaalsContact C-CD 3.4Å; T126-P128 WeakPolarHBondContact O-CD 3.45Å
127F51.5Low54.7Low151 Ų151114.4 Ų114.466%0.66264%0.642SS**SBendtrans-121.866.7173.1-64.4-80.3000111.9L123 V129L123-F127 HydrophobicContact CD2-CE2 4.41Å; L123-F127 PolarHBondContact O-N 2.98Å; F127-V129 PolarHBondContact O-N 3.24Å; F127-V129 VanDerWaalsContact O-N 3.14Å
128P52.8Low52.4Low94 Ų94113.8 Ų113.861%0.6165%0.645SS**  trans-64.6116.7178.127.8-33.8000110.3T126 E130T126-P128 VanDerWaalsContact C-CD 3.4Å; T126-P128 WeakPolarHBondContact O-CD 3.45Å; P128-E130 PolarHBondContact O-N 2.9Å
129V44.9Very low50.1Low137 Ų137117.7 Ų117.783%0.8367%0.668SS**  trans-75.977.8173.1-176.90000108.9F127 Q131F127-V129 PolarHBondContact O-N 3.24Å; F127-V129 VanDerWaalsContact O-N 3.14Å; V129-Q131 PolarHBondContact O-N 3.12Å
130E37.4Very low47.6Very low152 Ų152121.6 Ų121.671%0.7169%0.685SS**  trans-70.3100.4176.7-170.1173-13600110.2P128 T132P128-E130 PolarHBondContact O-N 2.9Å; E130-T132 VanDerWaalsContact C-N 3.28Å; E130-T132 HydrophobicContact CG-CG2 4.24Å; E130-T132 PolarHBondContact O-N 3.14Å
131Q41.7Very low45.4Very low181 Ų181121.3 Ų121.385%0.84669%0.694SS**  trans-69.289.8162.7-69.4-172.316.400108.5V129 P133V129-Q131 PolarHBondContact O-N 3.12Å; Q131-P133 VanDerWaalsContact O-CD 3.31Å; Q131-P133 WeakPolarHBondContact O-CD 3.33Å
132T26.4Very low43.7Very low112 Ų112120.8 Ų120.869%0.68770%0.701SS**  trans-57.5118.1-17648.60000111.9E130E130-T132 VanDerWaalsContact C-N 3.28Å; E130-T132 HydrophobicContact CG-CG2 4.24Å; E130-T132 PolarHBondContact O-N 3.14Å
133P39.5Very low41.1Very low109 Ų109124 Ų12471%0.70872%0.719SS**  trans-89.5158.4-179.535.8-34.7000112.2Q131Q131-P133 VanDerWaalsContact O-CD 3.31Å; Q131-P133 WeakPolarHBondContact O-CD 3.33Å
134T26.2Very low39Very low138 Ų138125.6 Ų125.685%0.84773%0.732SS**  trans-138.1151.7169.637.30000111.5
135P32.1Very low37.2Very low116 Ų116128.2 Ų128.275%0.75375%0.746SS**  trans-118.3172.9-136.115.87.3000116
136P36.3Very low35.4Very low125 Ų125128.2 Ų128.281%0.81276%0.756SS**  trans-89.9141.6-177.634.8-34.7000114.7
137V25.6Very low34.3Very low146 Ų146128.5 Ų128.589%0.88576%0.759SS**  trans-143.9154.8170.5-176.80000110.4
138C24.8Very low33.2Very low106 Ų106129 Ų12972%0.71677%0.766SS**  trans-93.9155.2-174.2-79.70000115.3
139L30.1Very low32Very low166 Ų166131.9 Ų131.987%0.86977%0.773SS**  trans48.4134144.2-57.2168.4000118.3
140D25.3Very low31.2Very low150 Ų150133.5 Ų133.580%0.80277%0.773SS**  cis-168.6161.432.4-169.113.9000111.6
141A28Very low30.6Very low78 Ų78131.4 Ų131.465%0.64578%0.776SS**  trans44.515515700000123.8
142P41.4Very low31.3Very low108 Ų108127.9 Ų127.970%0.70177%0.768SS**  cis-132.3172.7-27.739.8-24.3000114.9
143D23.9Very low31.2Very low151 Ų151132 Ų13281%0.80778%0.777SS**  trans57.9138.2162.7-62.4-31.5000118.6
144V27.9Very low30.7Very low127 Ų127134.7 Ų134.777%0.7778%0.78SS**  cis-148.8146.439.2166.20000112
145S30.8Very low30.6Very low116 Ų116136 Ų13681%0.81178%0.781SS**  trans70.2118.7161.6-70.30000121.6
146V31.8Very low30.2Very low138 Ų138134.4 Ų134.484%0.83678%0.777SS**  trans-93-177.7170-114.60000111
147P42.2Very low29.7Very low98 Ų98136.8 Ų136.864%0.63678%0.782SS**  cis-141.2178-8.631.6-8.8000117.9
148M27.4Very low29.8Very low162 Ų162134.9 Ų134.980%0.79878%0.775SS**  trans71.9151.6140.6-84169.116600120.5
149M27.6Very low30.4Very low153 Ų153135.6 Ų135.675%0.75478%0.779SS**  cis-144.2156.2-2-74.3-148-168.600114
150M27.8Very low30.1Very low171 Ų171134.5 Ų134.584%0.84277%0.774SS**  trans20.2107.8143.6-51.5-55.9-177.200123.1
151S26.6Very low30.3Very low109 Ų109133.4 Ų133.476%0.76277%0.773SS**  15.5163.7104-140.40000121.1
152P56Low30.3Very low107 Ų107137.3 Ų137.370%0.69578%0.782SS**  -138.3175.1-66.143-28000113.8
153K24.5Very low29.6Very low198 Ų198137.7 Ų137.786%0.86179%0.787SS**  trans-178.8170140.5-110.2171.3-178.9178.30118.2
154Q28Very low29.8Very low165 Ų165136.4 Ų136.477%0.77179%0.79SS**  trans-89.4158.8177.3-46.3139-62.900112.3
155L23.7Very low29.7Very low165 Ų165133.8 Ų133.886%0.86479%0.789SS**  -175.4-168.2105.5-138.376.9000111.4
156A24.6Very low29.6Very low83 Ų83137.4 Ų137.469%0.68679%0.793SS**  trans-130.9-175-171.300000113.2
157L25Very low29.7Very low175 Ų175136.4 Ų136.492%0.91679%0.789SS**  trans115.6140164.1-62.6167000116.8
158S28.5Very low29.3Very low106 Ų106138.1 Ų138.174%0.74180%0.798SS**  trans-103.3169.5166.355.70000110.2
159P37.6Very low29.7Very low121 Ų121135.9 Ų135.979%0.78680%0.796SS**  -153.7-155.284.341.9-19.9000115.1
160D24.4Very low30.3Very low144 Ų144134.8 Ų134.877%0.7780%0.8SS**  trans-90.6173-158.1-51.8-93000119.5
161T28.2Very low30.9Very low127 Ų127135.7 Ų135.778%0.77980%0.802SS**  trans130.6121.3131.553.50000121.4
162L27.9Very low31.8Very low160 Ų160142 Ų14284%0.83881%0.809SS**  trans83.5115.9136.4-70.3167.1000124.9
163S26.6Very low31Very low115 Ų115144.8 Ų144.880%0.80482%0.815SS**  87.3119.6125.8-159.90000123
164S28Very low32.6Very low125 Ų125138.7 Ų138.787%0.87480%0.797SS**  trans152.4155.8130.7-166.80000111.1
165G25.6Very low34Very low72 Ų72135.1 Ų135.174%0.74279%0.788SS**  trans-165.6179.2-175.400000116
166Q29.2Very low36.2Very low191 Ų191133.4 Ų133.489%0.89378%0.78SS**  trans-157.7143.3178.1-172.4173.9-23.700111
167P33.9Very low38.1Very low117 Ų117133.8 Ų133.876%0.7677%0.77SS**  trans-92.7163.2-177.836.2-36000114.7
168T33.3Very low40.5Very low134 Ų134132 Ų13282%0.82276%0.757SS**  trans-119.9158.217342.40000111.3
169P37.6Very low42.5Very low116 Ų116133.4 Ų133.475%0.75375%0.752SS**PPolyproline II helixtrans-78.5156.2-172.331.5-36.5000113.9
170P39.9Very low44.1Very low129 Ų129129.6 Ų129.684%0.83873%0.731SS**PPolyproline II helixtrans-69.9148.4178.430-35.6000112.6
171Q39.2Very low46.1Very low190 Ų190127.3 Ų127.389%0.88872%0.718SS**PPolyproline II helixtrans-85158.6174.4-60.6-172.36.500111.3
172R45.3Very low48.2Very low241 Ų241126.6 Ų126.691%0.90971%0.709SS**PPolyproline II helixtrans-75.6149.8168.8-69.2-168.5-177.2108.8-3.1110.4
173M41.2Very low50.7Low166 Ų166125.6 Ų125.682%0.81870%0.7SS**PPolyproline II helixtrans-63.2155.3161.1-61.9-59.9178.800110.7
174S57.3Low52.8Low70 Ų70124.9 Ų124.949%0.4969%0.687SS.*PPolyproline II helixtrans-81.1138.3174.744.40000111.5D176 L177S174-D176 PolarHBondContact O-N 3.23Å; S174-L177 PolarHBondContact O-N 2.78Å; S174-L177 VanDerWaalsContact O-N 3.12Å
175P56.1Low54.3Low90 Ų90124.5 Ų124.558%0.58467%0.674SS**Hα-helixtrans-62.7-29-177.126-35000113.3L177 E178 E179P175-L177 PolarHBondContact O-N 3.06Å; P175-L177 VanDerWaalsContact O-N 3.14Å; P175-E178 WeakPolarHBondContact O-CA 3.48Å; P175-E178 WeakPolarHBondContact O-CB 3.41Å; P175-E178 PolarHBondContact O-N 2.8Å; P175-E179 PolarHBondContact O-N 3.25Å
176D70.8Confident56Low130 Ų130124.9 Ų124.970%0.69567%0.665SS**Hα-helixtrans-48.8-35.2172.5-166.464.4000113.3S174 A180S174-D176 PolarHBondContact O-N 3.23Å; D176-A180 WeakPolarHBondContact O-CB 3.19Å; D176-A180 PolarHBondContact O-N 3.4Å
177L65.3Low58.3Low90 Ų90119.4 Ų119.447%0.47164%0.642SS.*Hα-helixtrans-81.3-28.2177.3-176.961.8000112.8S174 P175 L181S174-L177 PolarHBondContact O-N 2.78Å; S174-L177 VanDerWaalsContact O-N 3.12Å; P175-L177 PolarHBondContact O-N 3.06Å; P175-L177 VanDerWaalsContact O-N 3.14Å; L177-L181 HydrophobicContact CG-CD1 4.48Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.4Å; L177-L181 PolarHBondContact O-N 3.06Å
178E75.3Confident59.5Low137 Ų137117.4 Ų117.464%0.6463%0.629SS**Hα-helixtrans-73.8-40.5176.7-168.3171-178.100110.3P175 L181 L182P175-E178 WeakPolarHBondContact O-CA 3.48Å; P175-E178 WeakPolarHBondContact O-CB 3.41Å; P175-E178 PolarHBondContact O-N 2.8Å; E178-L181 PolarHBondContact O-N 2.86Å; E178-L182 WeakPolarHBondContact O-CG 3.47Å; E178-L182 PolarHBondContact O-N 2.87Å
179E69.3Low61.1Low136 Ų136117 Ų11764%0.63662%0.618SS**Hα-helixtrans-63.5-45.7172.8-68.3-177.917000111.6P175 L181 L182 E183P175-E179 PolarHBondContact O-N 3.25Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 2.6Å; E179-L182 PolarHBondContact O-N 2.77Å; E179-E183 PolarHBondContact O-N 3.46Å
180A71.9Confident61.9Low41 Ų41115.2 Ų115.234%0.33960%0.601SS.*Hα-helixtrans-61.9-34.8176.600000113.7D176 L184D176-A180 WeakPolarHBondContact O-CB 3.19Å; D176-A180 PolarHBondContact O-N 3.4Å; A180-L184 WeakPolarHBondContact O-CG 3.2Å; A180-L184 PolarHBondContact O-N 3.15Å; A180-L184 VanDerWaalsContact O-N 3.09Å
181L65.9Low62.8Low96 Ų96114.3 Ų114.350%0.50359%0.586SS.*Hα-helixtrans-71.8-37.2174.9-74.1169.9000112.2L177 E178 E179 L185L177-L181 HydrophobicContact CG-CD1 4.48Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.4Å; L177-L181 PolarHBondContact O-N 3.06Å; E178-L181 PolarHBondContact O-N 2.86Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 2.6Å; L181-L185 WeakPolarHBondContact O-CB 3.46Å; L181-L185 VanDerWaalsContact O-CG 3.29Å; L181-L185 WeakPolarHBondContact O-CG 3.42Å; L181-L185 PolarHBondContact O-N 3.42Å; L181-L185 VanDerWaalsContact O-N 3.09Å
182L73.1Confident63.5Low112 Ų112112.1 Ų112.159%0.58658%0.575SS**Hα-helixtrans-67.6-38.1174.2-72.2166.5000111.8E178 E179 L185 S186E178-L182 WeakPolarHBondContact O-CG 3.47Å; E178-L182 PolarHBondContact O-N 2.87Å; E179-L182 PolarHBondContact O-N 2.77Å; L182-L185 PolarHBondContact O-N 2.72Å; L182-S186 PolarHBondContact O-N 3.01Å; L182-S186 VanDerWaalsContact O-N 3.15Å
183E80Confident63.8Low140 Ų140105 Ų10565%0.65456%0.562SS**Hα-helixtrans-62.8-48.8174.2-172.5173-166.500111.2E179 L185 S186E179-E183 PolarHBondContact O-N 3.46Å; E183-L185 VanDerWaalsContact C-N 3.31Å; E183-L185 PolarHBondContact O-N 3.16Å; E183-S186 WeakPolarHBondContact O-CB 3.48Å; E183-S186 PolarHBondContact O-N 3.11Å; E183-S186 PolarHBondContact O-OG 3.35Å
184L70.9Confident64.4Low100 Ų100102.6 Ų102.652%0.52455%0.552SS.*Hα-helixtrans-59.3-38.8176.5-77.3164.4000113.2A180 S186 L187 L190A180-L184 WeakPolarHBondContact O-CG 3.2Å; A180-L184 PolarHBondContact O-N 3.15Å; A180-L184 VanDerWaalsContact O-N 3.09Å; L184-S186 PolarHBondContact O-N 3.1Å; L184-L187 HydrophobicContact CD2-CD1 4.33Å; L184-L190 WeakPolarHBondContact O-CD2 3.18Å
185L58.6Low64.3Low117 Ų117103.3 Ų103.361%0.61355%0.55SS*.Hα-helixtrans-74.2-12.1176.7-71169.9000113.7L181 L182 E183L181-L185 WeakPolarHBondContact O-CB 3.46Å; L181-L185 VanDerWaalsContact O-CG 3.29Å; L181-L185 WeakPolarHBondContact O-CG 3.42Å; L181-L185 PolarHBondContact O-N 3.42Å; L181-L185 VanDerWaalsContact O-N 3.09Å; L182-L185 PolarHBondContact O-N 2.72Å; E183-L185 VanDerWaalsContact C-N 3.31Å; E183-L185 PolarHBondContact O-N 3.16Å
186S61.7Low63.7Low79 Ų79106.5 Ų106.555%0.55256%0.559SS**THydrogen-bonded Turntrans-88.2-8.1178.577.60000114.5L182 E183 L184L182-S186 PolarHBondContact O-N 3.01Å; L182-S186 VanDerWaalsContact O-N 3.15Å; E183-S186 WeakPolarHBondContact O-CB 3.48Å; E183-S186 PolarHBondContact O-N 3.11Å; E183-S186 PolarHBondContact O-OG 3.35Å; L184-S186 PolarHBondContact O-N 3.1Å
187L77.8Confident62.6Low76 Ų76108.7 Ų108.740%0.39857%0.565SS.*  trans-66.4120.4-177.7-64.3175000111.4L184 E189 L190 Q191L184-L187 HydrophobicContact CD2-CD1 4.33Å; L187-E189 VanDerWaalsContact C-N 3.27Å; L187-E189 PolarHBondContact O-N 2.96Å; L187-L190 HydrophobicContact CB-CB 4.08Å; L187-L190 WeakPolarHBondContact O-CB 3.14Å; L187-L190 PolarHBondContact O-N 3.48Å; L187-L190 VanDerWaalsContact O-N 3.09Å; L187-Q191 PolarHBondContact O-N 3.43Å
188P58.3Low61.5Low76 Ų76110 Ų11049%0.49457%0.57SS.*Hα-helixtrans-66.1-27.4-173.925.5-33.4000113.2Q191 Q192P188-Q191 PolarHBondContact O-N 3.38Å; P188-Q192 WeakPolarHBondContact O-CG 3.3Å; P188-Q192 PolarHBondContact O-N 3.35Å
189E66.8Low59.8Low126 Ų126110.3 Ų110.359%0.58957%0.572SS**Hα-helixtrans-66.4-40.7174.1-57.775.4-165.400111.2L187 C193L187-E189 VanDerWaalsContact C-N 3.27Å; L187-E189 PolarHBondContact O-N 2.96Å; E189-C193 PolarHBondContact O-N 3.21Å; E189-C193 PolarHBondContact O-SG 3.4Å
190L54.6Low58.3Low78 Ų78111.8 Ų111.841%0.40858%0.584SS.*Hα-helixtrans-67.4-41.7174.4-163.178.8000110.5L184 L187 Q192 C193 L194L184-L190 WeakPolarHBondContact O-CD2 3.18Å; L187-L190 HydrophobicContact CB-CB 4.08Å; L187-L190 WeakPolarHBondContact O-CB 3.14Å; L187-L190 PolarHBondContact O-N 3.48Å; L187-L190 VanDerWaalsContact O-N 3.09Å; L190-Q192 PolarHBondContact O-N 2.9Å; L190-C193 WeakPolarHBondContact O-CB 3.43Å; L190-C193 PolarHBondContact O-N 3Å; L190-C193 VanDerWaalsContact O-N 3.15Å; L190-L194 PolarHBondContact O-N 3.16Å; L190-L194 VanDerWaalsContact O-N 3.16Å
191Q59.3Low56.6Low110 Ų110115.2 Ų115.251%0.51460%0.601SS.*Hα-helixtrans-65-35.9177.9-161177.533.700112.5L187 P188 L194 N195L187-Q191 PolarHBondContact O-N 3.43Å; P188-Q191 PolarHBondContact O-N 3.38Å; Q191-L194 PolarHBondContact O-N 2.89Å; Q191-N195 WeakPolarHBondContact O-CB 3.49Å; Q191-N195 PolarHBondContact O-N 3.3Å
192Q54.8Low55.2Low143 Ų143117.4 Ų117.467%0.66861%0.612SS**Hα-helixtrans-63.4-40.8170.7-79.3-172.6-4.300112.4P188 L190 L194 N195 M196P188-Q192 WeakPolarHBondContact O-CG 3.3Å; P188-Q192 PolarHBondContact O-N 3.35Å; L190-Q192 PolarHBondContact O-N 2.9Å; Q192-L194 PolarHBondContact O-N 3.41Å; Q192-N195 PolarHBondContact O-N 3.35Å; Q192-M196 VanDerWaalsContact O-CB 3.31Å; Q192-M196 WeakPolarHBondContact O-CB 3.28Å; Q192-M196 PolarHBondContact O-N 3.49Å; Q192-M196 VanDerWaalsContact O-N 3.11Å
193C50.8Low53.5Low92 Ų92120.8 Ų120.862%0.62263%0.625SS**Hα-helixtrans-63.9-27.7177.7-66.40000113.1E189 L190E189-C193 PolarHBondContact O-N 3.21Å; E189-C193 PolarHBondContact O-SG 3.4Å; L190-C193 WeakPolarHBondContact O-CB 3.43Å; L190-C193 PolarHBondContact O-N 3Å; L190-C193 VanDerWaalsContact O-N 3.15Å
194L53.7Low51.2Low116 Ų116120.3 Ų120.361%0.60763%0.632SS**Hα-helixtrans-84.7-43.4175.5-65.7169.6000112.6L190 Q191 Q192L190-L194 PolarHBondContact O-N 3.16Å; L190-L194 VanDerWaalsContact O-N 3.16Å; Q191-L194 PolarHBondContact O-N 2.89Å; Q192-L194 PolarHBondContact O-N 3.41Å
195N54.5Low49.1Very low84 Ų84122.1 Ų122.145%0.44965%0.647SS.*Hα-helixtrans-71-32.3-176.6-82.2-14.4000114Q191 Q192 Q197 M198Q191-N195 WeakPolarHBondContact O-CB 3.49Å; Q191-N195 PolarHBondContact O-N 3.3Å; Q192-N195 PolarHBondContact O-N 3.35Å; N195-Q197 PolarHBondContact O-N 2.93Å; N195-M198 PolarHBondContact O-N 2.89Å
196M43.8Very low47.6Very low158 Ų158123 Ų12378%0.77866%0.657SS**THydrogen-bonded Turntrans-64.66.6-176.6-167.8166.358.500114.5Q192Q192-M196 VanDerWaalsContact O-CB 3.31Å; Q192-M196 WeakPolarHBondContact O-CB 3.28Å; Q192-M196 PolarHBondContact O-N 3.49Å; Q192-M196 VanDerWaalsContact O-N 3.11Å
197Q47.5Very low46Very low175 Ų175129.8 Ų129.882%0.81867%0.672SS**THydrogen-bonded Turntrans-108.44.4175.1-155.3161.2115.600113.8N195N195-Q197 PolarHBondContact O-N 2.93Å
198M42.8Very low44.2Very low119 Ų119130.6 Ų130.659%0.58668%0.682SS**THydrogen-bonded Turntrans-114.5-22.2-177-66.3-136.5-65.800116.5N195 D200 T201N195-M198 PolarHBondContact O-N 2.89Å; M198-D200 VanDerWaalsContact C-N 3.29Å; M198-D200 PolarHBondContact O-N 2.85Å; M198-T201 PolarHBondContact O-N 2.6Å; M198-T201 PolarHBondContact O-OG1 2.92Å
199E40.4Very low42.7Very low143 Ų143134.5 Ų134.567%0.66870%0.698SS**G310 helixtrans-54-39.2-177.7-11075.3-132.200114.1T201E199-T201 PolarHBondContact O-N 3.11Å
200D37.1Very low41.1Very low167 Ų167134.5 Ų134.589%0.89371%0.709SS**G310 helixtrans-67.4-2.4-171.1-92.8-14.9000115.5M198M198-D200 VanDerWaalsContact C-N 3.29Å; M198-D200 PolarHBondContact O-N 2.85Å
201T37.3Very low39.8Very low112 Ų112134.8 Ų134.869%0.68772%0.723SS**G310 helixtrans-120.6-6.2-172.860.80000116.1M198 E199M198-T201 PolarHBondContact O-N 2.6Å; M198-T201 PolarHBondContact O-OG1 2.92Å; E199-T201 PolarHBondContact O-N 3.11Å
202L36.6Very low38.3Very low142 Ų142137.4 Ų137.474%0.74374%0.74SS**  trans-98.31.4-170.9-65-178.9000115.7T204L202-T204 VanDerWaalsContact C-N 3.32Å; L202-T204 PolarHBondContact O-N 3.35Å
203Q35.6Very low37.1Very low184 Ų184134.1 Ų134.186%0.8674%0.738SS**SBendtrans-85.922-179.1-62-165.917.700115.2
204T32.5Very low36Very low129 Ų129138.9 Ų138.979%0.79175%0.751SS**  trans-153.678.4173.5-360000116.3L202L202-T204 VanDerWaalsContact C-N 3.32Å; L202-T204 PolarHBondContact O-N 3.35Å
205T27.1Very low34.8Very low138 Ų138137.2 Ų137.285%0.84775%0.754SS**  -165.9127.9127.747.40000111.7
206T27.4Very low33.6Very low135 Ų135142.4 Ų142.483%0.82878%0.775SS**  trans-158.6127.6161.3-69.10000107.6
207Y26.5Very low33Very low222 Ų222141.5 Ų141.587%0.87178%0.779SS**  trans170.1161.5154.2-110-114.7000108.4
208P41.3Very low32.5Very low93 Ų93139.2 Ų139.260%0.60478%0.779SS**  -142.4-167.3-111.140.6-18.9000116.8
209L25.6Very low31.6Very low158 Ų158139.1 Ų139.183%0.82779%0.79SS**  trans71.6165.3166.5-95.773.1000116.8
210P35.1Very low31.1Very low127 Ų127141.8 Ų141.883%0.82580%0.796SS**  cis-114.4-170.93.741.5-29.5000114.9
211A25.9Very low31.5Very low83 Ų83139.1 Ų139.169%0.68679%0.787SS**  trans-127.9161.2-169.400000115
212N27.5Very low31.1Very low165 Ų165140.7 Ų140.788%0.88279%0.792SS**  trans67.8152.2170-61-19.7000116.4
213A29.5Very low30.9Very low75 Ų75144.1 Ų144.162%0.6280%0.796SS**  cis-150.7164.622.300000114.6
214E27.9Very low31.2Very low191 Ų191140.8 Ų140.889%0.89379%0.791SS**  trans48.6141.3134.9-70173.4165.500121.9
215A29.2Very low31.5Very low81 Ų81140.4 Ų140.467%0.66979%0.79SS**  cis-170.2-172.2-4.100000111.1
216Q28.8Very low31.6Very low194 Ų194140 Ų14091%0.90779%0.787SS**  trans105.9106.6161.1-60.3-178.474.700118.2
217T31.3Very low31.6Very low138 Ų138142.7 Ų142.785%0.84779%0.791SS**  trans-119146.2161.7540000110.2
218P37Very low31.8Very low128 Ų128136.6 Ų136.683%0.83179%0.786SS**  trans-140.6160.5135.730.5-13.8000112.3
219S24.8Very low31.7Very low117 Ų117137.4 Ų137.482%0.81879%0.791SS**  cis-155.3151.3-5.1175.90000109.9
220Y28.5Very low31.9Very low199 Ų199138 Ų13878%0.7879%0.793SS**  trans-79170.9170.8-97.9-87.5000112.8
221P46.3Very low31.5Very low110 Ų110141 Ų14171%0.71479%0.794SS**  -148.4131.795.235.6-16.2000118.5
222N29.1Very low31.8Very low146 Ų146144.1 Ų144.178%0.78180%0.799SS**  trans72127.1133.1-57.5-12.6000125.3
223Y31.5Very low32.3Very low213 Ų213142.3 Ų142.384%0.83580%0.796SS**  trans-54.3168.8156.6-70.5-89.6000114.2
224P42.3Very low32.3Very low115 Ų115146.2 Ų146.275%0.74781%0.806SS**  cis-135.4-158.634.542.6-21000113
225P38.8Very low32.4Very low121 Ų121144 Ų14479%0.78680%0.8SS**  cis-136.9-137.55.845.1-23.2000115.5
226V29.2Very low32.3Very low129 Ų129144.4 Ų144.478%0.78280%0.798SS**  trans-136.2162.7-178-177.70000109.3
227Q27.8Very low32.4Very low192 Ų192143.3 Ų143.390%0.89780%0.796SS**  trans105.5147166-55.3-176.818.700117.4
228A30.1Very low32.3Very low94 Ų94142.5 Ų142.578%0.77779%0.787SS**  trans-114.5-161.1-172.600000109.8
229P40.5Very low31.9Very low109 Ų109143 Ų14371%0.70878%0.783SS**  cis-137.3164.1-5.141.8-24.7000117
230I28.6Very low32.1Very low170 Ų170143 Ų14387%0.87278%0.778SS**  trans-149.9127.3161.9-52.6178.8000106.3
231F27.8Very low32.2Very low190 Ų190142 Ų14283%0.83378%0.777SS**  cis99.9109.54.8-137.4-73.5000117.1
232N32.1Very low31.6Very low149 Ų149143.7 Ų143.780%0.79779%0.786SS**  trans-71.9163.1-179.8-86.5-6.3000114.4
233P36.9Very low31.5Very low127 Ų127143.9 Ų143.983%0.82579%0.787SS**  trans-130.9167.313136.4-26.1000114.6
234L29.8Very low31.4Very low157 Ų157139.1 Ų139.182%0.82279%0.785SS**  trans-113.7176.3-173.8-164.172000111.3
235N29.7Very low30.7Very low146 Ų146141.4 Ų141.478%0.78179%0.79SS**  trans108.8156.5158.2-62.3-16.1000116.6
236S27.8Very low30.2Very low89 Ų89142.6 Ų142.662%0.62279%0.789SS**  cis177.8132.6-29.1178.80000108.3
237I30.1Very low30.3Very low170 Ų170142.1 Ų142.187%0.87279%0.787SS**  trans-145.7139.4164.8-55.4-177.6000109.4
238N30.4Very low30.3Very low121 Ų121136.1 Ų136.165%0.64778%0.776SS**  trans-115.8179.2178.4-64.3-18.6000112.5
239D28.5Very low30.8Very low139 Ų139138.1 Ų138.174%0.74378%0.781SS**  trans90.6118.8136.5-71.7-39.9000123.3
240V29.2Very low30.3Very low117 Ų117136.8 Ų136.871%0.70978%0.78SS**  76.597.6123.41800000121.1
241K30.4Very low30.3Very low178 Ų178137.4 Ų137.477%0.77478%0.779SS**  56.4120.1117.3-174.1-170.8-179177.90121.4
242T32.5Very low30.5Very low146 Ų146136.8 Ų136.890%0.89678%0.776SS**  trans-150.5171.5146.534.90000111.7
243N28.2Very low30.3Very low150 Ų150136.9 Ų136.980%0.80277%0.773SS**  trans-117145.7-170.5-37.4-58.5000114.4
244S27.9Very low30Very low113 Ų113137 Ų13779%0.7977%0.767SS**  trans-159.8134.3137.352.40000108.6
245L27.6Very low29.9Very low163 Ų163135.6 Ų135.685%0.85377%0.765SS**  62.491.756.7-85.7165.4000114.7
246N29.4Very low29.9Very low145 Ų145134.4 Ų134.478%0.77576%0.763SS**  -166.1139.7114.2-121.1-0.5000115.5
247V30.3Very low30Very low120 Ų120137.5 Ų137.573%0.72777%0.772SS**  trans45.3114.3137.8174.40000120.2
248G27.6Very low30Very low65 Ų65132.4 Ų132.467%0.6776%0.762SS**  trans-95.3-178.6140.300000110.7
249P42.3Very low29.8Very low136 Ų136133 Ų13388%0.88377%0.774SS**  -147.7179.787.840.7-24.2000116.5
250A28.8Very low30.1Very low82 Ų82132.5 Ų132.568%0.67878%0.776SS**  trans-65.4165-17400000118.4
251E29.8Very low30.3Very low182 Ų182132.9 Ų132.985%0.8578%0.781SS**  -151.4128.2127-101.1158.7-149.600107.1
252F30.2Very low30Very low177 Ų177130.2 Ų130.278%0.77679%0.785SS**  49.3129.198.3-75.3-116.9000113.4
253M29.8Very low30Very low151 Ų151131.3 Ų131.374%0.74478%0.782SS**  cis-153-168.517.8-120.2-74.5177.700113.3
254N29Very low30.1Very low130 Ų130128.7 Ų128.770%0.69578%0.781SS**  trans-87.2176.1-168.1-72.1-77.4000116.7
255T28.6Very low30.3Very low127 Ų127129.1 Ų129.178%0.77978%0.781SS**  trans92.5146.5141.619.10000121.6
256V30.3Very low30.4Very low121 Ų121127.1 Ų127.173%0.73378%0.78SS**  trans-16.2160.1167-61.30000119
257D29.6Very low30.3Very low154 Ų154128.2 Ų128.282%0.82479%0.786SS**  cis-163.8175.236.9-145-24.5000115.1
258G29Very low30.3Very low64 Ų64126.4 Ų126.466%0.6678%0.784SS**  trans46.699146.200000120.7
259C27.9Very low30.4Very low132 Ų132132.4 Ų132.489%0.89279%0.792SS**  trans-95120.5159.2-1720000110.7
260V33.5Very low29.7Very low129 Ų129135.3 Ų135.378%0.78279%0.786SS**  trans-118.8131.4170.5-81.80000110.1S262V260-S262 PolarHBondContact O-N 2.97Å
261P32.8Very low29.6Very low126 Ų126141.1 Ų141.182%0.81880%0.799SS**  trans-79.2114.6177.930.6-32.3000110.6
262S25.9Very low29.5Very low121 Ų121138.6 Ų138.685%0.84679%0.79SS**PPolyproline II helixtrans-75.2133.2171.9-168.90000110.7V260V260-S262 PolarHBondContact O-N 2.97Å
263M30.6Very low29.2Very low169 Ų169138.6 Ų138.683%0.83379%0.789SS**PPolyproline II helixtrans-69.2145.4173.5-62.1-10170.800110.5
264A31.3Very low29.2Very low95 Ų95137 Ų13779%0.78579%0.788SS**PPolyproline II helixtrans-97.6128.4168.500000110
265P31.7Very low29.2Very low123 Ų123136.7 Ų136.780%0.79979%0.786SS**PPolyproline II helixtrans-86.3127.1169.532.5-30.3000110.5
266S29.4Very low29.7Very low120 Ų120136.9 Ų136.984%0.83979%0.787SS**PPolyproline II helixtrans-72135.4164.4-54.70000110
267N27.7Very low29.7Very low168 Ų168136.9 Ų136.990%0.89879%0.79SS**  trans-152.8132.9158.1-115.8-26.3000109.6
268A30.3Very low29.6Very low83 Ų83137.1 Ų137.169%0.68679%0.786SS**  trans-121.8141177.500000109
269F29.7Very low29.6Very low191 Ų191140 Ų14084%0.83879%0.79SS**  trans-162.2123.2141.5-105-65.8000112.4
270R28.2Very low29.5Very low197 Ų197140.1 Ų140.174%0.74378%0.782SS**  trans23.7122.1154.3-66.6173.8-180-136.7-0.9119.4
271Q26.1Very low29.4Very low203 Ų203138.7 Ų138.795%0.94977%0.774SS**  -111.9152.5120.8-94-170.7-1.800110.1
272I27.6Very low29.1Very low130 Ų130138.4 Ų138.467%0.66778%0.775SS**  trans-111.1126.3-175.5-61.2167.9000108.1V274I272-V274 HydrophobicContact CG2-CG2 4.5Å
273K23.4Very low29.3Very low177 Ų177141.6 Ų141.677%0.7777%0.774SS**  trans-138.5123157.5-165.8169.3-169-84.20108.9D275K273-D275 IonicContact NZ-OD2 3.18Å; K273-D275 PolarHBondContact NZ-OD2 3.5Å
274V30.8Very low29.2Very low117 Ų117139.2 Ų139.271%0.70977%0.774SS**  trans-98.9127.1172.2173.50000107.2I272I272-V274 HydrophobicContact CG2-CG2 4.5Å
275D28.6Very low29.4Very low123 Ų123138 Ų13866%0.65877%0.77SS**  trans-148.5133.4157.2-81.6-58.7000107.5K273K273-D275 IonicContact NZ-OD2 3.18Å; K273-D275 PolarHBondContact NZ-OD2 3.5Å
276T39.4Very low29.3Very low132 Ų132141.2 Ų141.281%0.8178%0.775SS**PPolyproline II helixtrans-93.8127.5-175.546.90000111.9
277P29.6Very low29.6Very low120 Ų120139.2 Ų139.278%0.77977%0.773SS**PPolyproline II helixtrans-85.7146.1164.633.5-31.3000111.9
278Q28.1Very low29.8Very low160 Ų160137.3 Ų137.375%0.74876%0.757SS**PPolyproline II helixtrans-80.4138.9178.8-178.5175.5-22.700110.6D280Q278-D280 PolarHBondContact NE2-OD2 3.01Å; Q278-D280 PolarHBondContact O-N 3.38Å
279V29.4Very low30.1Very low123 Ų123137 Ų13775%0.74576%0.761SS**  trans-9963.8-173.3-162.80000111.7T281V279-T281 PolarHBondContact O-N 3Å; V279-T281 PolarHBondContact O-OG1 3.23Å; V279-T281 VanDerWaalsContact O-OG1 3.11Å
280D24.9Very low30.4Very low136 Ų136130.9 Ų130.973%0.72775%0.752SS**  trans-69.6112.5170.3-76.7-44000109.7Q278Q278-D280 PolarHBondContact NE2-OD2 3.01Å; Q278-D280 PolarHBondContact O-N 3.38Å
281T31.7Very low31.2Very low99 Ų99124.1 Ų124.161%0.60773%0.733SS**  trans-10898.3-167.9-51.80000111V279 F283V279-T281 PolarHBondContact O-N 3Å; V279-T281 PolarHBondContact O-OG1 3.23Å; V279-T281 VanDerWaalsContact O-OG1 3.11Å; T281-F283 HydrophobicContact CG2-CD2 3.9Å; T281-F283 HydrophobicContact CG2-CE2 4.28Å; T281-F283 PolarHBondContact O-N 3.24Å
282S27.2Very low31.8Very low120 Ų120116.4 Ų116.484%0.83970%0.696SS**  trans-8888.4178.958.40000112.3
283F29.5Very low32.6Very low188 Ų188119.7 Ų119.783%0.82570%0.702SS**  trans-82.3118.5170.6-106.5-82.6000111.7T281T281-F283 HydrophobicContact CG2-CD2 3.9Å; T281-F283 HydrophobicContact CG2-CE2 4.28Å; T281-F283 PolarHBondContact O-N 3.24Å
284S28.5Very low33.1Very low118 Ų118117 Ų11783%0.82570%0.702SS**  trans-104.9151.7151.7-710000108.4
285G36.6Very low33Very low69 Ų69116.5 Ų116.571%0.71171%0.71SS**  cis177.717.4-3.600000114.8
286E29.4Very low32.9Very low191 Ų191115.3 Ų115.389%0.89372%0.718SS**  trans-142.4158.4-171.1-85.3-178.3150.300113.6
287G34.2Very low32.4Very low78 Ų78118.5 Ų118.580%0.80472%0.724SS**  trans90.1-5.6154.600000119.9G289G287-G289 PolarHBondContact O-N 3.45Å
288F33.7Very low32.4Very low129 Ų129121.3 Ų121.357%0.56673%0.726SS**THydrogen-bonded Turntrans-7736.7-169-129.1-86.5000117.1V291 F292 L563F288-V291 HydrophobicContact CD1-CB 4.38Å; F288-V291 HydrophobicContact CD1-CG2 4.05Å; F288-V291 HydrophobicContact CE1-CB 3.84Å; F288-V291 HydrophobicContact CE1-CG1 4.22Å; F288-V291 HydrophobicContact CE1-CG2 3.66Å; F288-V291 HydrophobicContact CZ-CB 4.48Å; F288-V291 HydrophobicContact CZ-CG2 4Å; F288-F292 HydrophobicContact CD1-CE2 4.22Å; F288-F292 HydrophobicContact CE1-CE2 4.01Å; F288-L563 HydrophobicContact CE1-CD2 4.11Å; F288-L563 HydrophobicContact CZ-CD2 4.11Å
289G35.8Very low32.3Very low75 Ų75119.7 Ų119.777%0.77372%0.723SS**THydrogen-bonded Turntrans-83.9-22.3-176.500000116.7G287G287-G289 PolarHBondContact O-N 3.45Å
290G35Very low32.1Very low63 Ų63120.7 Ų120.765%0.64972%0.719SS**SBendtrans-104.9-6.5-162.900000118.2F292G290-F292 PolarHBondContact O-N 2.95Å
291V45Very low32Very low56 Ų56119.3 Ų119.334%0.33972%0.719SS.*SBendtrans-86.3-4.8-159.1-170.70000114.7F288 K560F288-V291 HydrophobicContact CD1-CB 4.38Å; F288-V291 HydrophobicContact CD1-CG2 4.05Å; F288-V291 HydrophobicContact CE1-CB 3.84Å; F288-V291 HydrophobicContact CE1-CG1 4.22Å; F288-V291 HydrophobicContact CE1-CG2 3.66Å; F288-V291 HydrophobicContact CZ-CB 4.48Å; F288-V291 HydrophobicContact CZ-CG2 4Å; V291-K560 HydrophobicContact CG1-CD 4.04Å; V291-K560 HydrophobicContact CG1-CG 4.31Å
292F38.7Very low31.6Very low40 Ų40122.2 Ų122.218%0.17572%0.723CS.*  trans-120.975.7-167.5-67.1-87.1000114.4F288 G290 L563 Y567F288-F292 HydrophobicContact CD1-CE2 4.22Å; F288-F292 HydrophobicContact CE1-CE2 4.01Å; G290-F292 PolarHBondContact O-N 2.95Å; F292-L563 HydrophobicContact CZ-CD2 4.36Å; F292-L563 HydrophobicContact CZ-CG 4.35Å; F292-Y567 HydrophobicContact CD1-CD1 4.29Å; F292-Y567 HydrophobicContact CD1-CE1 4.36Å; F292-Y567 HydrophobicContact CD1-CG 4.38Å; F292-Y567 HydrophobicContact CE1-CD1 4.15Å; F292-Y567 AromaticContact CE1-CD2 3.9Å; F292-Y567 HydrophobicContact CE1-CD2 3.9Å; F292-Y567 HydrophobicContact CE1-CE2 4.31Å; F292-Y567 AromaticContact CE1-CG 3.8Å; F292-Y567 HydrophobicContact CE1-CG 3.8Å; F292-Y567 HydrophobicContact CZ-CD2 4Å; F292-Y567 HydrophobicContact CZ-CE2 4.35Å; F292-Y567 HydrophobicContact CZ-CG 4.34Å
293Y45.1Very low31.6Very low200 Ų200121.5 Ų121.578%0.78472%0.718SS**  trans-142.6112.5164.3-73.9-75.1000111.6
294P33.8Very low31.5Very low119 Ų119122.2 Ų122.277%0.77372%0.724SS**  trans-82.3138.6156.332.9-29.7000109.9
295A28.2Very low31.3Very low107 Ų107125.3 Ų125.388%0.88473%0.725SS**  trans-75.1150.8162.100000109.5
296A28.2Very low30.7Very low99 Ų99126.3 Ų126.382%0.81872%0.721SS**  trans-122.3125.6-176.300000111.4
297E27Very low30.6Very low199 Ų199124.7 Ų124.793%0.9371%0.714SS**  trans-138.5149.7171.8-67.8-163.8152.900112.2
298Q29.7Very low30.3Very low178 Ų178128.3 Ų128.383%0.83271%0.709SS**  trans-155.7157.8-175.4-75.9-176.9-109.100107.8
299D26.3Very low29.9Very low127 Ų127130 Ų13068%0.67972%0.719SS**  cis-149.3179.6-2.4-121.1-60.9000105.9
300E25.1Very low29.5Very low144 Ų144133.1 Ų133.167%0.67372%0.718SS**  cis-123.4169.721.1-53.7168.110500112.8K302E300-K302 IonicContact OE1-NZ 2.7Å; E300-K302 PolarHBondContact OE1-NZ 3.27Å; E300-K302 IonicContact OE2-NZ 2.62Å; E300-K302 PolarHBondContact OE2-NZ 2.92Å
301C23.3Very low29.2Very low106 Ų106138.6 Ų138.672%0.71673%0.727SS**  trans-96135.5153.9-179.80000111.5
302K23.6Very low28.4Very low161 Ų161144 Ų14470%0.775%0.752SS**  trans-136.6126.5163.9-74.3-166.3172.31060111.8E300E300-K302 IonicContact OE1-NZ 2.7Å; E300-K302 PolarHBondContact OE1-NZ 3.27Å; E300-K302 IonicContact OE2-NZ 2.62Å; E300-K302 PolarHBondContact OE2-NZ 2.92Å
303S27.1Very low27.8Very low104 Ų104150.8 Ų150.873%0.72779%0.786SS**  trans-95.7146.6-175-32.60000112.7
304Q27.8Very low26.9Very low203 Ų203147.1 Ų147.195%0.94979%0.789SS**  trans-160.1-174.9132.8-111.1166.815.900111.3
305H24.6Very low26.4Very low184 Ų184147.7 Ų147.785%0.85279%0.786SS**  trans-134.9166.1-143.6-169.731.3000113.3
306S23.9Very low26.4Very low90 Ų90147.2 Ų147.263%0.62978%0.775SS**  trans88.612815968.80000121.7
307Q27.4Very low27Very low157 Ų157147.4 Ų147.473%0.73477%0.769SS**  trans64.9116.1141-73.8177.8-95.900123.7
308E26.3Very low27.1Very low153 Ų153145.6 Ų145.672%0.71577%0.765SS**  63.6113.8120-65.8169.5156.300121.9
309E25.6Very low27.1Very low164 Ų164147.1 Ų147.177%0.76677%0.769SS**  trans77.9138.7132.4-73.6-156.8173.800123.7
310N27.3Very low27.3Very low142 Ų142147.1 Ų147.176%0.75977%0.773SS**  trans83.1158.6151.3-63.2-38000120.7
311E29.1Very low27.4Very low177 Ų177143.7 Ų143.783%0.82777%0.77SS**  trans-76.2157.9-159-50.1170.9122.200113.9
312I28.7Very low27.7Very low169 Ų169148.4 Ų148.487%0.86778%0.779SS**  -177.3140.8119.4-93.6153.4000109.1
313M25.5Very low27.9Very low183 Ų183146.9 Ų146.990%0.90178%0.783SS**  trans-116120.3175.7177159.661.500111.5
314C25.4Very low28.1Very low123 Ų123150.1 Ų150.183%0.83179%0.786SS**  trans-170.8159.4161.9-910000108
315D24.5Very low28Very low132 Ų132148.9 Ų148.971%0.70678%0.782SS**  cis-176.1136.7-35.917126.8000106
316S28.4Very low28.3Very low96 Ų96145.9 Ų145.967%0.67177%0.769SS**  trans62.9175.5161.1-75.40000117.4
317P40Very low28.5Very low104 Ų104150.3 Ų150.368%0.67579%0.785SS**  cis-130.31650.540.7-25.2000117.2
318N28.6Very low28.7Very low160 Ų160151.2 Ų151.286%0.85678%0.783SS**  trans47.2124.1142.8-66.7-31.5000122.2
319K30.4Very low28.9Very low210 Ų210148.6 Ų148.691%0.91378%0.781SS**  trans-149.1151.9137-156.6165.3-177.3-179.80113
320V30Very low29.1Very low127 Ų127148.8 Ų148.877%0.7779%0.786SS**  trans-127.9157.5-175.5175.80000110
321A27.7Very low29.4Very low73 Ų73147 Ų14760%0.60379%0.785SS**  trans74.1152.2176.200000114.7
322F28.9Very low29.9Very low205 Ų205144.8 Ų144.890%0.89979%0.786SS**  cis-136.1174.628.8-95.2-87.5000116.3
323T29.6Very low29.8Very low129 Ų129139.9 Ų139.979%0.79178%0.777SS**  trans-93.8161.6-175.747.20000115
324H31.1Very low30Very low171 Ų171138.6 Ų138.679%0.79277%0.774SS**  trans-53143.1170.3-177.4-87.1000114.7
325M25.8Very low30.1Very low177 Ų177135.9 Ų135.987%0.87276%0.757SS**  trans-151.8164.1157-148.2158.9-162.700112.4
326E29.9Very low30.2Very low122 Ų122138.8 Ų138.857%0.5776%0.763SS**  trans-93.9169.7-153.7-48.4172.7128.200115.3Y328E326-Y328 WeakPolarHBondContact OE1-CE2 3.27Å
327L28.6Very low30.2Very low183 Ų183139.5 Ų139.596%0.95876%0.759SS**  trans-133.3137.9140.8-145.781000109.5
328Y30.2Very low29.5Very low176 Ų176144.1 Ų144.169%0.6976%0.764SS**  trans-138.2141.5-164.1-132.5-60.4000110.7E326E326-Y328 WeakPolarHBondContact OE1-CE2 3.27Å
329S31.2Very low29.4Very low97 Ų97141.2 Ų141.268%0.67876%0.756SS**  trans72.4160.7161.8-31.60000116.8
330L30.2Very low29.4Very low168 Ų168139.7 Ų139.788%0.8875%0.749SS**  cis-138.11595.7-86174.3000112.1
331S34.2Very low29.2Very low106 Ų106141.8 Ų141.874%0.74175%0.75SS**  trans-97.6150.2159.7-169.90000108.7
332P39.4Very low29Very low129 Ų129142.5 Ų142.584%0.83875%0.751SS**  -147.2-171.271.636.1-13.2000113.6
333G26.3Very low29Very low67 Ų67140.8 Ų140.869%0.69175%0.75SS**  cis159.9-173.7-4.800000111.6
334D28.8Very low29Very low155 Ų155141.1 Ų141.183%0.82975%0.752SS**  trans69.8144.4173-106.645.4000118.8
335S28.9Very low29Very low67 Ų67136.7 Ų136.747%0.46975%0.745SS.*  cis-171.1166.3-17.439.50000114.3
336F26.2Very low29.3Very low193 Ų193136.7 Ų136.785%0.84674%0.743SS**  trans67.4162.3165.4-52.4-67.4000119.3
337D28.2Very low29.4Very low110 Ų110138.7 Ų138.759%0.58875%0.752SS**  cis-162.4156.2-39.8178.633.1000108.3
338R24.7Very low29.7Very low202 Ų202135.8 Ų135.876%0.76274%0.737SS**  trans75.8154.2151.7-144.9165.4-70.5-119.8-14.3121.7
339S26.5Very low29.5Very low98 Ų98133.8 Ų133.869%0.68574%0.738SS**  trans88.588.9153.4-37.50000119
340K30Very low29.8Very low179 Ų179133.7 Ų133.778%0.77874%0.738SS**  15.9134.3122-63.1-179.8176.3-175.40118.9
341Q26.8Very low29.9Very low171 Ų171132.2 Ų132.280%0.79973%0.73SS**  trans64.4143.4144.1-64.9167.2-62.200117.1
342S23.4Very low30.2Very low88 Ų88132.3 Ų132.362%0.61573%0.731SS**  cis175.6141.4-22.547.20000106.3
343L28.6Very low30.3Very low169 Ų169129.6 Ų129.689%0.88573%0.727SS**  trans61.8116163.5-57.7164.2000118.2
344T29.4Very low30.8Very low136 Ų136133.5 Ų133.583%0.83474%0.737SS**  -169.4125.9117.731.80000106.1
345A32Very low31.2Very low78 Ų78130.4 Ų130.465%0.64573%0.727SS**  70.1137.570.600000111.5
346E32.1Very low31.7Very low176 Ų176132.7 Ų132.782%0.82274%0.739SS**  cis-141.7174.68.8-112.9134.9-141.900109
347H31.3Very low32Very low165 Ų165130 Ų13076%0.76473%0.733SS**  159.9122.479.2164.4-69.5000106.2
348L35Very low32.1Very low121 Ų121128 Ų12863%0.63474%0.738SS**  cis-147.4-172.2-2.6-77.1169.2000106
349D27.2Very low32.6Very low135 Ų135124 Ų12472%0.72274%0.742SS**  cis-150.4175.72.3-142.3-30.3000111.7
350S36.5Very low33.4Very low95 Ų95125 Ų12566%0.66475%0.746SS**  trans-94.4179.7171.1-49.90000110.8
351D31.8Very low33.6Very low136 Ų136123.6 Ų123.673%0.72775%0.747SS**  cis-144.3148.412.8-117.4-33.2000108.9
352S41.1Very low33.9Very low109 Ų109123.3 Ų123.376%0.76275%0.745SS**  45.413389.2-44.80000115.1
353G42.5Very low34.1Very low72 Ų72130.2 Ų130.274%0.74276%0.758SS**  cis-166.5-1680.300000107.5
354V37Very low34.3Very low148 Ų148127.7 Ų127.790%0.89776%0.755SS**  cis154.9152.144.5123.20000102.9
355S36.4Very low35.2Very low90 Ų90127.5 Ų127.563%0.62976%0.756SS**  cis-163.7-164.2-21.4-165.40000104.1N357S355-N357 PolarHBondContact OG-OD1 3.47Å
356T38.2Very low35.1Very low116 Ų116127.2 Ų127.271%0.71276%0.76SS**  cis-156.1157.31447.90000106.6
357N32.8Very low35.1Very low136 Ų136129.7 Ų129.773%0.72776%0.762SS**  cis-159.2159.3-12.4-87.9-18.3000104.4S355S355-N357 PolarHBondContact OG-OD1 3.47Å
358G30.9Very low35.2Very low68 Ų68127.4 Ų127.470%0.70176%0.764SS**  76.9129.258.900000111.1
359S36.2Very low35.2Very low119 Ų119125.4 Ų125.483%0.83276%0.757SS**  cis-1641705.5-65.30000110.6
360P43.2Very low35.4Very low119 Ų119129.9 Ų129.977%0.77377%0.765SS**  trans-89.2168.4167.335.4-34.3000114.4
361N33Very low35Very low149 Ų149128.8 Ų128.880%0.79777%0.769SS**  trans83.8139.4167.2-80.98.7000122.6
362E32.8Very low35.1Very low164 Ų164128.6 Ų128.677%0.76678%0.779SS**  trans57.2105.1156-68.7-174.6-147.800122.3
363R27.4Very low34.6Very low234 Ų234126.9 Ų126.988%0.88378%0.778SS**  178.7149.3105.7-95.2164-171.6-174.53.6113.7
364S34.2Very low34.1Very low116 Ų116129 Ų12981%0.81178%0.781SS**  trans-91.7152.3168-48.80000112
365P48.1Very low34.1Very low132 Ų132131.3 Ų131.386%0.85778%0.78SS**  -139.3169.6108.238.8-28.2000112.7
366G28.5Very low34.3Very low71 Ų71130.4 Ų130.473%0.73278%0.784SS**  cis172137.3-800000113.5
367R32Very low34Very low229 Ų229136.4 Ų136.486%0.86480%0.795SS**  trans33.7112.1163.5-59.5-177.977.4-141.17.7121.3V369R367-V369 HydrophobicContact CB-CG2 4.37Å
368S34.6Very low34.8Very low116 Ų116135 Ų13581%0.81180%0.797SS**  -156.1106.5129.4-169.60000107.1
369V34Very low34.6Very low80 Ų80138.8 Ų138.849%0.48580%0.801SS.*  71.9123.955.2-171.40000112.1R367R367-V369 HydrophobicContact CB-CG2 4.37Å
370Y32.2Very low34.8Very low228 Ų228137.7 Ų137.789%0.89479%0.793SS**  trans68.8127.9-165.3-57.8-79.7000115.6
371G28.8Very low34.4Very low72 Ų72140.1 Ų140.174%0.74279%0.794SS**  cis167.8141.2-15.800000116.7
372S33.2Very low35.6Very low133 Ų133141 Ų14193%0.9380%0.795SS**  trans66.1134.2152.7-154.10000121.7
373G30.5Very low36.6Very low73 Ų73140.9 Ų140.975%0.75380%0.795SS**  trans84.9159.216500000115.7
374S32.9Very low37.3Very low115 Ų115138.4 Ų138.480%0.80479%0.793SS**  cis-158.2178.9-12.9-161.90000110.3
375F35.7Very low37.9Very low198 Ų198139.8 Ų139.887%0.86879%0.788SS**  trans-48.9143.8178.1-67.7-98.4000114.1
376G40.5Very low37.4Very low70 Ų70141 Ų14172%0.72279%0.788SS**  trans-84.3165.417400000113.8
377Y32.7Very low38.2Very low242 Ų242145.2 Ų145.295%0.94979%0.788SS**  trans-147.5166.7169-106.4-86.1000109.8
378S48.4Very low38.4Very low108 Ų108141.7 Ų141.776%0.75579%0.787SS**  trans-118140.8175.6-174.90000109.7
379D28.2Very low39.1Very low147 Ų147141.7 Ų141.779%0.78678%0.784SS**  trans-156.1125165.3-1221.3000106.3
380S39.4Very low39Very low95 Ų95141.3 Ų141.366%0.66480%0.796SS**  79.1149.668.8-550000113
381E36Very low39Very low171 Ų171136.8 Ų136.880%0.79980%0.798SS**  cis-172147-25.2-176.9-175.6131.400106.8
382M58Low39.4Very low166 Ų166137.5 Ų137.582%0.81880%0.797SS**  trans-167.6136.3140.155154.9-72.400112.4
383E53.4Low39.3Very low163 Ų163140 Ų14076%0.76279%0.794SS**  trans-118.5141.8173.5-82.2-83.1-179.500109.4
384E41.9Very low39.3Very low181 Ų181141 Ų14185%0.84679%0.789SS**  trans-159.194157.5-161.5167.5-154.900107.5
385M47.1Very low39.2Very low145 Ų145142.7 Ų142.771%0.71479%0.789SS**  80.8104.452.6-165.470.6154.900113.3
386D38.3Very low39.1Very low157 Ų157144.5 Ų144.584%0.8479%0.792SS**  trans-145.5120.6152.4-1684.4000110.2
387Q43.7Very low38.8Very low160 Ų160146.5 Ų146.575%0.74880%0.795SS**  trans-157.9131.8173.8-70.1-170.220.100109.7
388N35.9Very low38.8Very low155 Ų155143.3 Ų143.383%0.82979%0.789SS**  trans-162.8167148.9-123-16.5000111.9
389P49.4Very low38Very low117 Ų117145 Ų14576%0.7679%0.787SS**  -131-178.4-102.443.8-29.3000114.2
390G32.4Very low38.1Very low72 Ų72146.8 Ų146.874%0.74279%0.788SS**  trans-170.567.5176.900000118.6
391S32.7Very low37.8Very low132 Ų132148 Ų14892%0.92380%0.796SS**  trans69164.9166.3-155.40000117.6
392A36.1Very low37.4Very low88 Ų88147.5 Ų147.573%0.72780%0.798SS**  trans-130.8167.9-173.100000112.7
393Q32Very low36.1Very low184 Ų184147.6 Ų147.686%0.8680%0.802SS**  trans142.7165.2133.4-164.7161.39.100113.8
394S30.9Very low34.9Very low94 Ų94149.7 Ų149.766%0.65781%0.809SS**  trans71.699.1172.562.30000118.4
395D31.4Very low34.2Very low151 Ų151150.2 Ų150.281%0.80781%0.812SS**  6.5136.3126.5-50.2-80.1000118.6
396Y31.7Very low33.8Very low236 Ų236148.1 Ų148.193%0.92581%0.809SS**  trans-129.994.3162.9-118-94.8000109.5
397S35.1Very low33.2Very low113 Ų113147.1 Ų147.179%0.7980%0.803SS**  trans-146148.8168.2-1590000107.7
398E32.3Very low32.6Very low174 Ų174146.6 Ų146.681%0.81380%0.8SS**  trans63.2135.7-150.1-46.3-179.2171.600111
399M31.6Very low32.3Very low145 Ų145146.1 Ų146.171%0.71480%0.797SS**  cis-123.4162.65.4-59.8146.2-82.300108.1
400F31.5Very low31.3Very low183 Ų183146.5 Ų146.580%0.80380%0.798SS**  cis-142.6155.227.1-64.6-98.7000111.4
401S31.5Very low30.9Very low120 Ų120149.3 Ų149.384%0.83980%0.8SS**  trans-123.7137.4161.3-66.70000108.8
402L29.4Very low30.7Very low162 Ų162148.6 Ų148.685%0.84880%0.795SS**  trans-111.9127.8176.2-68.5173.7000109.1
403N28.7Very low30Very low167 Ų167153.1 Ų153.189%0.89380%0.801SS**  trans-140.9145.2163.9-85.8-39.3000108.4
404F30.1Very low30.7Very low208 Ų208149.5 Ų149.591%0.91279%0.793SS**  trans-97.6139.6172.2-94.8-103.5000109.6
405E26.1Very low30.4Very low192 Ų192151 Ų15190%0.89780%0.798SS**  -166.6163.6129.8-104.6-165.5101.100110.1
406P38.3Very low30.3Very low101 Ų101148.2 Ų148.266%0.65679%0.791SS**  trans-110-175.6-160.642.5-37.6000116.4
407D26.5Very low30Very low135 Ų135144.5 Ų144.572%0.72278%0.782SS**  trans117125.7138.9-92.55.5000122.8
408H30.6Very low29.7Very low149 Ų149146.5 Ų146.569%0.6978%0.781SS**  trans63.4106.7145.6-79.2-57.8000124.2
409L29.8Very low29.3Very low146 Ų146143.8 Ų143.876%0.76478%0.776SS**  104.7142.7121.8-70.4170.7000123.4
410T27.9Very low29Very low125 Ų125146 Ų14677%0.76779%0.785SS**  trans87.899.8155.149.30000123.4
411V25.4Very low28.5Very low131 Ų131144.4 Ų144.479%0.79478%0.78SS**  54.8105.9119.1-177.60000119.7
412S27.2Very low28.6Very low116 Ų116144.1 Ų144.181%0.81178%0.775SS**  166.8137.9120.7-71.20000114
413E22.9Very low28.4Very low183 Ų183142 Ų14286%0.85576%0.76SS**  trans-97.3-168.4151.6-48.9-172.6119.900108.8
414P45.5Very low28.3Very low108 Ų108140.7 Ų140.770%0.70175%0.749SS**  cis-138-153.7-6.234-9.5000114
415V24.9Very low28.2Very low125 Ų125137.4 Ų137.476%0.75874%0.736SS**  trans87.3110.7167-167.70000114.2
416S28.7Very low28.2Very low93 Ų93134.9 Ų134.965%0.6572%0.724SS**  72.9145.168.1-140.10000112.7
417E25.2Very low27.7Very low158 Ų158137.2 Ų137.274%0.73872%0.724SS**  cis-137144.924.3-66.8178.5127.600112
418M29Very low27.9Very low156 Ų156139.7 Ų139.777%0.76873%0.729SS**  68.1145.6107.5-52.4-170.5-165.900115.9
419T25.3Very low28.1Very low116 Ų116138.6 Ų138.671%0.71274%0.735SS**  -159.9127.859.3-65.40000114.8
420E23.9Very low27.9Very low193 Ų193138 Ų13890%0.90273%0.732SS**  trans71.9168.3149.4-68.8174.9155.700124.1
421Q22.7Very low27.9Very low149 Ų149140.8 Ų140.870%0.69674%0.737SS**  trans-133.3-174.7-154.6-131.7-177.37.500109.3
422P32.6Very low27.8Very low113 Ų113138.1 Ų138.173%0.73474%0.736SS**  cis-118.2160.737.811.115.2000114.3
423Q25.5Very low27.7Very low117 Ų117140.9 Ų140.955%0.54774%0.741SS.*  66.4134.757.7-107.9-171.5-56.500111.6
424E26.4Very low27.9Very low140 Ų140137.2 Ų137.265%0.65474%0.742SS**  cis-150.1179.813.1-89.4-162.3164.800108.8
425H26.9Very low27Very low139 Ų139139.1 Ų139.164%0.64475%0.746SS**  cis-170.9172.6-24.3-103.915.9000105.7
426E27.3Very low27.7Very low139 Ų139138 Ų13865%0.6574%0.741SS**  cis-156.4-163.90.2-114.7-147.6-178.400105.7
427K28.5Very low27.6Very low151 Ų151141.8 Ų141.866%0.65775%0.749SS**  -162.3174-63.1-103.5-177-147.8149.70107.8
428K30.5Very low27.8Very low187 Ų187143.6 Ų143.681%0.81376%0.758SS**  trans-89.8176.1168.9-57.8-178.9176.5-179.30111.6
429P33.9Very low27.8Very low125 Ų125143.2 Ų143.281%0.81276%0.758SS**  -130.1167.786.937.3-28000112.7
430D24.9Very low28Very low133 Ų133142.8 Ų142.871%0.71176%0.76SS**  cis104.6147.610.4-162.445.1000117.3
431Q28.1Very low28.4Very low185 Ų185136.7 Ų136.786%0.86475%0.749SS**  trans81.6140.9178.6-53.7-170.71.400120.3
432G24.8Very low29Very low75 Ų75138.4 Ų138.477%0.77376%0.757SS**  trans148.795.3163.800000115.7
433N23.7Very low28.9Very low174 Ų174141.2 Ų141.293%0.9377%0.766SS**  trans-80.4145.1-179.5-39.7-80000113.6
434A26.8Very low29.3Very low105 Ų105147.1 Ų147.187%0.86878%0.783SS**  trans-166.9146.2144.400000111.6
435D27.5Very low29.5Very low148 Ų148145 Ų14579%0.79179%0.79SS**  trans-142.7143.1165.7-162.820.5000105
436P38.8Very low30.3Very low101 Ų101144.2 Ų144.266%0.65680%0.797SS**  -146.716583.840.5-23.7000116.2
437E27.4Very low31Very low174 Ų174147 Ų14781%0.81381%0.807SS**  trans35126.6134.8-56172.6155.200118.2
438E30.2Very low31.6Very low196 Ų196146.6 Ų146.692%0.91682%0.817SS**  -153.4177.467.1-93.5-171153.700115.9
439D28.7Very low32.2Very low147 Ų147146.9 Ų146.979%0.78682%0.819SS**  trans-57.5145.9-171.4179.936.1000118.2G441D439-G441 PolarHBondContact OD1-N 2.6Å
440S29.3Very low32.5Very low107 Ų107147.4 Ų147.475%0.74882%0.815SS**  trans-176.893.5132.532.10000111.5
441G31.1Very low33.8Very low65 Ų65150.3 Ų150.367%0.6782%0.821SS**  trans-69.6136.4174.700000113.8D439D439-G441 PolarHBondContact OD1-N 2.6Å
442H35.8Very low34.5Very low186 Ų186147.4 Ų147.486%0.86182%0.818SS**  trans-136.7138.6167.5-91.441.2000110.6
443D31.7Very low35.4Very low171 Ų171153 Ų15391%0.91482%0.821SS**  trans-68.9145.8-170.2-92.7-57.1000115.4
444R32.4Very low36Very low241 Ų241154 Ų15491%0.90982%0.817SS**  trans-90100.3170.8-85.3-172.8168.6-1680.4111.7
445A31.8Very low37Very low97 Ų97160.4 Ų160.480%0.80282%0.819SS**  trans-72.9130.9152.600000109.8
446P42.3Very low37.6Very low121 Ų121159.2 Ų159.279%0.78682%0.822SS**  trans-88.2162.8-17634.2-35.6000114.1
447F43.1Very low37.6Very low197 Ų197161.7 Ų161.786%0.86483%0.83SS**  trans79.659.8158.3-140.9-87.6000119.4
448T41.3Very low38.8Very low143 Ų143159 Ų15988%0.87783%0.825SS**  trans-123.1111.8145.450.20000110
449K43.3Very low39.9Very low193 Ų193160.2 Ų160.284%0.83982%0.821SS**  trans-122.740.9177.9-158175.8-178173.10111.8K451K449-K451 PolarHBondContact O-N 3.1Å
450D39.2Very low41.4Very low137 Ų137155.7 Ų155.773%0.73380%0.797SS**  trans-68.796.7175.3-89-0.8000110.4P452D450-P452 WeakPolarHBondContact O-CD 3.44Å
451K53.3Low43.6Very low194 Ų194154 Ų15484%0.84378%0.782SS**  trans-67.6116.3179-165.4174.9-171.4175.70108.5K449 K453K449-K451 PolarHBondContact O-N 3.1Å; K451-K453 PolarHBondContact O-N 2.99Å
452P41.3Very low46.2Very low124 Ų124157.2 Ų157.281%0.80577%0.774SS**  trans-65.599.6-17425-34000110.6D450 K454D450-P452 WeakPolarHBondContact O-CD 3.44Å; P452-K454 PolarHBondContact O-N 3.07Å
453K44.5Very low48.6Very low191 Ų191149.2 Ų149.283%0.8374%0.738SS**PPolyproline II helixtrans-72.1129.3178.9-166.7164.4-176.8169.40108.6K451K451-K453 PolarHBondContact O-N 2.99Å
454K36.8Very low51.3Low196 Ų196143.6 Ų143.685%0.85271%0.706SS**PPolyproline II helixtrans-53.4142.6-170.9-67.9-177.2175.8-177.10112.2P452P452-K454 PolarHBondContact O-N 3.07Å
455R47.9Very low53.9Low240 Ų240136.3 Ų136.391%0.90668%0.684SS**SBendtrans-56.9169.7165.1-79.6176.6148.8120-6.4111.2
456S40Very low56.5Low123 Ų123137 Ų13786%0.8667%0.666SS**  trans73.836.7168.686.20000118.2
457D37.9Very low58.8Low153 Ų153131.5 Ų131.582%0.81863%0.631SS**  trans-125.4107.5148.7-137.2-21.4000108.1R459D457-R459 PolarHBondContact O-N 3.49Å
458V52.6Low60.9Low116 Ų116127.9 Ų127.970%0.70362%0.615SS**  trans-74.4101178.51780000106.8L460V458-L460 HydrophobicContact CG1-CD2 4.22Å; V458-L460 PolarHBondContact O-N 2.92Å
459R52.5Low63.2Low222 Ų222125.7 Ų125.784%0.83861%0.606SS**  trans-6381170.4-75.8177.5159.1-170.4-10109.7D457 T461D457-R459 PolarHBondContact O-N 3.49Å; R459-T461 PolarHBondContact O-N 3.25Å
460L62Low65.3Low53 Ų53119.9 Ų119.928%0.27758%0.584SS.*  trans-47.1126.4172-61.6175.7000108.2V458 E464 L465 K468V458-L460 HydrophobicContact CG1-CD2 4.22Å; V458-L460 PolarHBondContact O-N 2.92Å; L460-E464 WeakPolarHBondContact CA-OE2 3.19Å; L460-E464 HydrophobicContact CB-CB 4.18Å; L460-E464 WeakPolarHBondContact CD2-OE2 3.3Å; L460-L465 HydrophobicContact CB-CD2 3.89Å; L460-L465 HydrophobicContact CB-CG 3.86Å; L460-L465 HydrophobicContact CD1-CD2 3.78Å; L460-L465 HydrophobicContact CG-CD2 4.46Å; L460-K468 HydrophobicContact CD1-CD 4.07Å; L460-K468 VanDerWaalsContact CD1-NZ 3.31Å
461T75.4Confident67.5Low72 Ų72119.8 Ų119.844%0.44258%0.583SS.*  trans-59.9156.9-179.161.70000110.3R459 D463 E464 L465R459-T461 PolarHBondContact O-N 3.25Å; T461-D463 PolarHBondContact O-N 3.37Å; T461-E464 VanDerWaalsContact CB-OE1 3.23Å; T461-E464 WeakPolarHBondContact CB-OE1 3.16Å; T461-E464 WeakPolarHBondContact CG2-OE1 3.35Å; T461-E464 PolarHBondContact N-OE1 3.44Å; T461-E464 WeakPolarHBondContact O-CB 3.29Å; T461-E464 PolarHBondContact O-N 2.79Å; T461-E464 WeakPolarHBondContact OG1-CG 3.42Å; T461-E464 PolarHBondContact OG1-N 3.04Å; T461-E464 PolarHBondContact OG1-OE1 2.93Å; T461-L465 PolarHBondContact O-N 3.33Å
462R84.8Confident69.1Low132 Ų132111.4 Ų111.450%0.49855%0.547SS..Hα-helixtrans-50-32.4179.1-164.7-163.273.81673112.5R466R462-R466 WeakPolarHBondContact O-CD 3.42Å; R462-R466 WeakPolarHBondContact O-CG 3.39Å; R462-R466 PolarHBondContact O-N 3.01Å
463D86.4Confident71.1Confident18 Ų18108.9 Ų108.910%0.09653%0.531CS..Hα-helixtrans-85.4-30.6-178.2-75.24.6000112.6T461 A467 I507 R510T461-D463 PolarHBondContact O-N 3.37Å; D463-A467 VanDerWaalsContact O-CB 3.26Å; D463-A467 WeakPolarHBondContact O-CB 3.35Å; D463-A467 PolarHBondContact O-N 3.45Å; D463-I507 HydrophobicContact CB-CD1 3.95Å; D463-I507 HydrophobicContact CB-CG1 3.81Å; D463-I507 HydrophobicContact CB-CG2 4.43Å; D463-R510 VanDerWaalsContact CG-NH2 3.27Å; D463-R510 IonicContact OD1-CZ 2.73Å; D463-R510 IonicContact OD1-NE 2.68Å; D463-R510 IonicContact OD1-NH2 3.64Å; D463-R510 PolarHBondContact OD1-NH2 3.44Å; D463-R510 IonicContact OD2-CZ 3.18Å; D463-R510 IonicContact OD2-NE 3.2Å; D463-R510 PolarHBondContact OD2-NE 2.82Å; D463-R510 IonicContact OD2-NH2 3.8Å; D463-R510 PolarHBondContact OD2-NH2 3Å
464E89.3Confident73.2Confident52 Ų52100.7 Ų100.724%0.24350%0.495CS..Hα-helixtrans-65.6-41.8166.8-73.4158.1-111.800112.2L460 T461 A467 K468 V476L460-E464 WeakPolarHBondContact CA-OE2 3.19Å; L460-E464 HydrophobicContact CB-CB 4.18Å; L460-E464 WeakPolarHBondContact CD2-OE2 3.3Å; T461-E464 VanDerWaalsContact CB-OE1 3.23Å; T461-E464 WeakPolarHBondContact CB-OE1 3.16Å; T461-E464 WeakPolarHBondContact CG2-OE1 3.35Å; T461-E464 PolarHBondContact N-OE1 3.44Å; T461-E464 WeakPolarHBondContact O-CB 3.29Å; T461-E464 PolarHBondContact O-N 2.79Å; T461-E464 WeakPolarHBondContact OG1-CG 3.42Å; T461-E464 PolarHBondContact OG1-N 3.04Å; T461-E464 PolarHBondContact OG1-OE1 2.93Å; E464-A467 PolarHBondContact O-N 2.93Å; E464-K468 WeakPolarHBondContact O-CB 3.23Å; E464-K468 WeakPolarHBondContact O-CG 3.48Å; E464-K468 PolarHBondContact O-N 3.12Å; E464-V476 HydrophobicContact CB-CG2 4.28Å; E464-V476 HydrophobicContact CG-CB 3.91Å; E464-V476 HydrophobicContact CG-CG1 4.48Å; E464-V476 HydrophobicContact CG-CG2 3.75Å
465L86.8Confident75.8Confident88 Ų8895.1 Ų95.146%0.46148%0.478SS..Hα-helixtrans-59.5-49.4175-72.2170.5000110.3L460 T461 A467 K468 S469L460-L465 HydrophobicContact CB-CD2 3.89Å; L460-L465 HydrophobicContact CB-CG 3.86Å; L460-L465 HydrophobicContact CD1-CD2 3.78Å; L460-L465 HydrophobicContact CG-CD2 4.46Å; T461-L465 PolarHBondContact O-N 3.33Å; L465-A467 PolarHBondContact O-N 2.83Å; L465-K468 PolarHBondContact O-N 3.1Å; L465-S469 PolarHBondContact O-N 3.45Å; L465-S469 PolarHBondContact O-OG 3.1Å; L465-S469 VanDerWaalsContact O-OG 3.07Å
466R86.6Confident77.9Confident112 Ų11284.6 Ų84.642%0.42344%0.44SS..Hα-helixtrans-61.9-39.7176.5-72.6169.2175.3-141.3-6.4112.7R462 S469 L470 L503R462-R466 WeakPolarHBondContact O-CD 3.42Å; R462-R466 WeakPolarHBondContact O-CG 3.39Å; R462-R466 PolarHBondContact O-N 3.01Å; R466-S469 PolarHBondContact O-N 3Å; R466-L470 PolarHBondContact O-N 3.24Å; R466-L503 HydrophobicContact CB-CD1 4.14Å; R466-L503 HydrophobicContact CB-CD2 3.82Å
467A89Confident80.3Confident6 Ų683.5 Ų83.55%0.0543%0.425CS..Hα-helixtrans-64.9-39.2177.300000112.3D463 E464 L465 N471 I472 V476 I507D463-A467 VanDerWaalsContact O-CB 3.26Å; D463-A467 WeakPolarHBondContact O-CB 3.35Å; D463-A467 PolarHBondContact O-N 3.45Å; E464-A467 PolarHBondContact O-N 2.93Å; L465-A467 PolarHBondContact O-N 2.83Å; A467-N471 PolarHBondContact O-N 3.11Å; A467-I472 HydrophobicContact CB-CB 4.31Å; A467-I472 HydrophobicContact CB-CD1 4.1Å; A467-I472 PolarHBondContact O-N 3.45Å; A467-V476 HydrophobicContact CB-CG2 4.03Å; A467-I507 HydrophobicContact CB-CD1 4.29Å
468K87.7Confident82.8Confident121 Ų12179.8 Ų79.853%0.52640%0.403SS..Hα-helixtrans-67.8-43.7172.7-70.7173.7-177.4-176.80111.9L460 E464 L465 L470 N471L460-K468 HydrophobicContact CD1-CD 4.07Å; L460-K468 VanDerWaalsContact CD1-NZ 3.31Å; E464-K468 WeakPolarHBondContact O-CB 3.23Å; E464-K468 WeakPolarHBondContact O-CG 3.48Å; E464-K468 PolarHBondContact O-N 3.12Å; L465-K468 PolarHBondContact O-N 3.1Å; K468-L470 VanDerWaalsContact C-N 3.26Å; K468-L470 PolarHBondContact O-N 2.9Å; K468-N471 PolarHBondContact O-N 3.44Å
469S89.6Confident84.7Confident97 Ų9774.2 Ų74.268%0.67837%0.37SS*.Hα-helixtrans-60.3-32.5176.6-61.40000113.6L465 R466L465-S469 PolarHBondContact O-N 3.45Å; L465-S469 PolarHBondContact O-OG 3.1Å; L465-S469 VanDerWaalsContact O-OG 3.07Å; R466-S469 PolarHBondContact O-N 3Å
470L87.1Confident86.6Confident71 Ų7165.1 Ų65.137%0.37234%0.337SS..THydrogen-bonded Turntrans-93.812.1173.2-61.7-167.5000113.8R466 K468 I472 Q500 L503R466-L470 PolarHBondContact O-N 3.24Å; K468-L470 VanDerWaalsContact C-N 3.26Å; K468-L470 PolarHBondContact O-N 2.9Å; L470-I472 VanDerWaalsContact C-N 3.3Å; L470-I472 HydrophobicContact CB-CG1 4.44Å; L470-I472 PolarHBondContact O-N 3Å; L470-Q500 HydrophobicContact CB-CG 4.03Å; L470-Q500 HydrophobicContact CD1-CG 4.39Å; L470-Q500 PolarHBondContact O-NE2 2.78Å; L470-L503 HydrophobicContact CD1-CB 4.22Å; L470-L503 HydrophobicContact CD1-CD2 3.74Å; L470-L503 HydrophobicContact CG-CD2 4.2Å
471N85.3Confident88.1Confident134 Ų13467.2 Ų67.272%0.71735%0.349SS*.THydrogen-bonded Turntrans47.945.6179.8-65.1-61000114.1A467 K468A467-N471 PolarHBondContact O-N 3.11Å; K468-N471 PolarHBondContact O-N 3.44Å
472I87.3Confident89Confident18 Ų1865.6 Ų65.69%0.09234%0.337CS..  trans-69.4127174.9-67.5175.9000108.9A467 L470 F474 I479 Q500 L503 V504A467-I472 HydrophobicContact CB-CB 4.31Å; A467-I472 HydrophobicContact CB-CD1 4.1Å; A467-I472 PolarHBondContact O-N 3.45Å; L470-I472 VanDerWaalsContact C-N 3.3Å; L470-I472 HydrophobicContact CB-CG1 4.44Å; L470-I472 PolarHBondContact O-N 3Å; I472-F474 HydrophobicContact CG2-CD2 3.55Å; I472-F474 HydrophobicContact CG2-CE1 4.38Å; I472-F474 HydrophobicContact CG2-CE2 3.34Å; I472-F474 HydrophobicContact CG2-CG 4.16Å; I472-F474 HydrophobicContact CG2-CZ 3.81Å; I472-F474 PolarHBondContact O-N 3.02Å; I472-F474 VanDerWaalsContact O-N 3.11Å; I472-I479 HydrophobicContact CG2-CD1 4.34Å; I472-Q500 HydrophobicContact CG1-CG 4.37Å; I472-L503 HydrophobicContact CD1-CD2 3.87Å; I472-L503 HydrophobicContact CD1-CG 4.32Å; I472-V504 HydrophobicContact CD1-CG2 3.65Å; I472-V504 HydrophobicContact CG1-CG2 4.43Å; I472-V504 HydrophobicContact CG2-CG2 4.25Å
473P84.3Confident89.3Confident72 Ų7262.3 Ų62.347%0.46833%0.333SS..SBendtrans-80.512.3-16832.1-36.3000115.1H494 L496P473-H494 HydrophobicContact CG-CB 4.3Å; P473-L496 HydrophobicContact CG-CD2 4.23Å
474F88.3Confident89.6Confident18 Ų1865.2 Ų65.28%0.07935%0.351CS..SBendtrans-146.9160.1-177.942.8-106.8000111.2I472 M478 I479 L490 M491 H494 L496 V504I472-F474 HydrophobicContact CG2-CD2 3.55Å; I472-F474 HydrophobicContact CG2-CE1 4.38Å; I472-F474 HydrophobicContact CG2-CE2 3.34Å; I472-F474 HydrophobicContact CG2-CG 4.16Å; I472-F474 HydrophobicContact CG2-CZ 3.81Å; I472-F474 PolarHBondContact O-N 3.02Å; I472-F474 VanDerWaalsContact O-N 3.11Å; F474-M478 HydrophobicContact CB-CE 4.13Å; F474-M478 HydrophobicContact CB-SD 4.08Å; F474-I479 HydrophobicContact CD2-CD1 3.91Å; F474-I479 HydrophobicContact CD2-CG1 3.61Å; F474-I479 HydrophobicContact CE2-CD1 3.74Å; F474-I479 HydrophobicContact CE2-CG1 3.55Å; F474-L490 HydrophobicContact CB-CD2 4.28Å; F474-L490 HydrophobicContact CD1-CD1 3.99Å; F474-L490 HydrophobicContact CD1-CD2 3.8Å; F474-L490 HydrophobicContact CD1-CG 3.84Å; F474-L490 HydrophobicContact CD2-CD2 4.23Å; F474-L490 HydrophobicContact CE1-CD1 4.48Å; F474-L490 HydrophobicContact CE1-CD2 4.15Å; F474-L490 HydrophobicContact CE1-CG 3.97Å; F474-L490 HydrophobicContact CG-CD2 3.85Å; F474-L490 HydrophobicContact CG-CG 4.4Å; F474-L490 HydrophobicContact CZ-CD2 4.5Å; F474-M491 HydrophobicContact CE1-SD 4.31Å; F474-M491 HydrophobicContact CE2-SD 4.43Å; F474-M491 HydrophobicContact CZ-CE 4Å; F474-M491 HydrophobicContact CZ-SD 3.64Å; F474-H494 AromaticContact CD1-CD2 3.57Å; F474-H494 AromaticContact CD1-NE2 3.87Å; F474-H494 HydrophobicContact CE1-CB 4.26Å; F474-H494 AromaticContact CE1-CD2 3.55Å; F474-L496 HydrophobicContact CE1-CD1 4.25Å; F474-L496 HydrophobicContact CZ-CD1 3.84Å; F474-V504 HydrophobicContact CE2-CG1 4.25Å; F474-V504 HydrophobicContact CE2-CG2 3.95Å; F474-V504 HydrophobicContact CZ-CG2 4.14Å
475T91.1Very high89.7Confident80 Ų8068.1 Ų68.149%0.49137%0.368SS..  trans-77.8157-170.770.40000113D477 M478 I479T475-D477 PolarHBondContact O-N 3.11Å; T475-M478 PolarHBondContact O-N 2.68Å; T475-M478 WeakPolarHBondContact OG1-CG 3.44Å; T475-M478 PolarHBondContact OG1-N 3.5Å; T475-I479 WeakPolarHBondContact O-CG1 3.47Å; T475-I479 PolarHBondContact O-N 3.32Å; T475-I479 VanDerWaalsContact O-N 3.16Å
476V91.5Very high90Very high18 Ų1867.9 Ų67.911%0.10937%0.367CS..Hα-helixtrans-60-32.2172.7166.60000112.2E464 A467 I479 I480 I507E464-V476 HydrophobicContact CB-CG2 4.28Å; E464-V476 HydrophobicContact CG-CB 3.91Å; E464-V476 HydrophobicContact CG-CG1 4.48Å; E464-V476 HydrophobicContact CG-CG2 3.75Å; A467-V476 HydrophobicContact CB-CG2 4.03Å; V476-I479 WeakPolarHBondContact O-CB 3.48Å; V476-I479 PolarHBondContact O-N 2.94Å; V476-I480 HydrophobicContact CG1-CD1 3.74Å; V476-I480 WeakPolarHBondContact O-CD1 3.04Å; V476-I480 VanDerWaalsContact O-CG1 3.28Å; V476-I480 WeakPolarHBondContact O-CG1 3.38Å; V476-I480 PolarHBondContact O-N 3.44Å; V476-I507 HydrophobicContact CB-CG2 4.49Å; V476-I507 HydrophobicContact CG1-CG2 3.8Å; V476-I507 HydrophobicContact CG2-CD1 4.31Å; V476-I507 HydrophobicContact CG2-CG2 4.3Å
477D90.8Very high90.2Very high101 Ų10163.2 Ų63.254%0.5435%0.35SS..Hα-helixtrans-63.5-48.6176.1-166.184.3000111.7T475 I479 I480 N481T475-D477 PolarHBondContact O-N 3.11Å; D477-I479 VanDerWaalsContact C-N 3.29Å; D477-I479 PolarHBondContact O-N 2.83Å; D477-I480 PolarHBondContact O-N 3.1Å; D477-I480 VanDerWaalsContact O-N 3.08Å; D477-N481 WeakPolarHBondContact O-CB 3.36Å; D477-N481 PolarHBondContact O-N 2.65Å; D477-N481 PolarHBondContact OD1-ND2 3.29Å; D477-N481 PolarHBondContact OD2-ND2 2.88Å
478M91Very high90.2Very high74 Ų7467 Ų6737%0.36537%0.37SS..Hα-helixtrans-57.7-40.9174.7-67.6168.67200112.1F474 T475 I480 L482 L490F474-M478 HydrophobicContact CB-CE 4.13Å; F474-M478 HydrophobicContact CB-SD 4.08Å; T475-M478 PolarHBondContact O-N 2.68Å; T475-M478 WeakPolarHBondContact OG1-CG 3.44Å; T475-M478 PolarHBondContact OG1-N 3.5Å; M478-I480 VanDerWaalsContact C-N 3.27Å; M478-I480 PolarHBondContact O-N 2.92Å; M478-L482 HydrophobicContact CB-CD1 4.11Å; M478-L482 HydrophobicContact CB-CG 4.45Å; M478-L482 WeakPolarHBondContact O-CB 3.44Å; M478-L482 WeakPolarHBondContact O-CD1 3.42Å; M478-L482 WeakPolarHBondContact O-CG 3.47Å; M478-L482 PolarHBondContact O-N 3.09Å; M478-L490 HydrophobicContact CE-CD2 4.21Å
479I92.3Very high90.4Very high0 Ų066.1 Ų66.10%037%0.367CS..Hα-helixtrans-58-41177.1-68172.1000111.4I472 F474 T475 V476 D477 V504 I507 R508I472-I479 HydrophobicContact CG2-CD1 4.34Å; F474-I479 HydrophobicContact CD2-CD1 3.91Å; F474-I479 HydrophobicContact CD2-CG1 3.61Å; F474-I479 HydrophobicContact CE2-CD1 3.74Å; F474-I479 HydrophobicContact CE2-CG1 3.55Å; T475-I479 WeakPolarHBondContact O-CG1 3.47Å; T475-I479 PolarHBondContact O-N 3.32Å; T475-I479 VanDerWaalsContact O-N 3.16Å; V476-I479 WeakPolarHBondContact O-CB 3.48Å; V476-I479 PolarHBondContact O-N 2.94Å; D477-I479 VanDerWaalsContact C-N 3.29Å; D477-I479 PolarHBondContact O-N 2.83Å; I479-V504 HydrophobicContact CD1-CG1 4.19Å; I479-V504 HydrophobicContact CD1-CG2 4.16Å; I479-V504 HydrophobicContact CG1-CG1 4.08Å; I479-V504 HydrophobicContact CG2-CG1 3.9Å; I479-V504 WeakPolarHBondContact CG2-O 3.4Å; I479-I507 HydrophobicContact CB-CG2 4.3Å; I479-I507 HydrophobicContact CD1-CG2 4.41Å; I479-I507 HydrophobicContact CG2-CB 4.06Å; I479-I507 HydrophobicContact CG2-CG2 3.73Å; I479-R508 HydrophobicContact CG2-CB 3.72Å; I479-R508 WeakPolarHBondContact O-CD 3.32Å; I479-R508 WeakPolarHBondContact O-CG 3.39Å; I479-R508 PolarHBondContact O-NE 3.33Å; I479-R508 VanDerWaalsContact O-NE 3.13Å
480I92.6Very high90.4Very high31 Ų3162.6 Ų62.616%0.15934%0.341CS..Hα-helixtrans-81.6-48.8-175.1-62.7167.3000111V476 D477 M478 I507 K512V476-I480 HydrophobicContact CG1-CD1 3.74Å; V476-I480 WeakPolarHBondContact O-CD1 3.04Å; V476-I480 VanDerWaalsContact O-CG1 3.28Å; V476-I480 WeakPolarHBondContact O-CG1 3.38Å; V476-I480 PolarHBondContact O-N 3.44Å; D477-I480 PolarHBondContact O-N 3.1Å; D477-I480 VanDerWaalsContact O-N 3.08Å; M478-I480 VanDerWaalsContact C-N 3.27Å; M478-I480 PolarHBondContact O-N 2.92Å; I480-I507 HydrophobicContact CG1-CG2 4.38Å; I480-K512 WeakPolarHBondContact O-CE 3.44Å
481N93.1Very high90.4Very high96 Ų9660.7 Ų60.751%0.51333%0.331SS..Hα-helixtrans-89.7-25.8-162.8-66.7-22.1000114.9D477D477-N481 WeakPolarHBondContact O-CB 3.36Å; D477-N481 PolarHBondContact O-N 2.65Å; D477-N481 PolarHBondContact OD1-ND2 3.29Å; D477-N481 PolarHBondContact OD2-ND2 2.88Å
482L93.9Very high90.5Very high39 Ų3958.7 Ų58.720%0.20433%0.327CS..SBendtrans-57.7147.9178.3-75172.6000111.5M478 D486 F487 L490 R508M478-L482 HydrophobicContact CB-CD1 4.11Å; M478-L482 HydrophobicContact CB-CG 4.45Å; M478-L482 WeakPolarHBondContact O-CB 3.44Å; M478-L482 WeakPolarHBondContact O-CD1 3.42Å; M478-L482 WeakPolarHBondContact O-CG 3.47Å; M478-L482 PolarHBondContact O-N 3.09Å; L482-D486 HydrophobicContact CD2-CB 4.13Å; L482-F487 HydrophobicContact CB-CB 4.21Å; L482-L490 HydrophobicContact CD1-CD2 3.72Å; L482-R508 PolarHBondContact O-NH2 3.43Å
483P92.1Very high90.4Very high63 Ų6363.9 Ų63.941%0.40935%0.349SS..  trans-65.3175.8171.231.2-36.9000110.9D485 D486 F487 R508P483-D485 VanDerWaalsContact C-N 3.34Å; P483-D485 PolarHBondContact O-N 3.33Å; P483-D486 WeakPolarHBondContact CD-OD2 3.5Å; P483-D486 HydrophobicContact CG-CB 3.82Å; P483-D486 WeakPolarHBondContact CG-OD2 3.46Å; P483-F487 WeakPolarHBondContact O-CB 3.33Å; P483-F487 PolarHBondContact O-N 3.34Å; P483-R508 VanDerWaalsContact C-NH2 3.33Å; P483-R508 PolarHBondContact O-NH2 3.23Å
484V90.9Very high90.4Very high79 Ų7963.4 Ų63.448%0.47934%0.34SS..Hα-helixtrans-68.8-36.6-172.785.80000111.8N488V484-N488 WeakPolarHBondContact O-CB 3.37Å; V484-N488 PolarHBondContact O-N 2.95Å; V484-N488 PolarHBondContact O-ND2 2.9Å; V484-N488 VanDerWaalsContact O-ND2 3.14Å; V484-N488 PolarHBondContact O-OD1 3.38Å
485D92.4Very high90.1Very high112 Ų11272 Ų7260%0.59938%0.381SS*.Hα-helixtrans-77.1-53.2-172.9-50.2-72.2000112.3P483 F487 N488 E489P483-D485 VanDerWaalsContact C-N 3.34Å; P483-D485 PolarHBondContact O-N 3.33Å; D485-F487 PolarHBondContact O-N 2.86Å; D485-N488 CarbonylContact O-C 3.56Å; D485-N488 WeakPolarHBondContact O-CA 3.39Å; D485-N488 WeakPolarHBondContact O-CB 3.14Å; D485-N488 PolarHBondContact O-N 2.95Å; D485-E489 PolarHBondContact O-N 3.35Å
486D92.4Very high89.8Confident83 Ų8369.5 Ų69.544%0.44436%0.364SS..Hα-helixtrans-55.2-37173.3-53.410.7000111.9L482 P483 E489 L490L482-D486 HydrophobicContact CD2-CB 4.13Å; P483-D486 WeakPolarHBondContact CD-OD2 3.5Å; P483-D486 HydrophobicContact CG-CB 3.82Å; P483-D486 WeakPolarHBondContact CG-OD2 3.46Å; D486-E489 PolarHBondContact O-N 3.26Å; D486-L490 WeakPolarHBondContact O-CB 3.39Å; D486-L490 PolarHBondContact O-N 3.48Å
487F90.9Very high89.7Confident15 Ų1574 Ų747%0.06639%0.388CS..Hα-helixtrans-66.7-44.6173.8172.7-86.5000111.4L482 P483 D485 E489 L490 M491 V504L482-F487 HydrophobicContact CB-CB 4.21Å; P483-F487 WeakPolarHBondContact O-CB 3.33Å; P483-F487 PolarHBondContact O-N 3.34Å; D485-F487 PolarHBondContact O-N 2.86Å; F487-E489 VanDerWaalsContact C-N 3.26Å; F487-E489 PolarHBondContact O-N 3.03Å; F487-L490 PolarHBondContact O-N 2.97Å; F487-M491 HydrophobicContact CD1-CG 3.95Å; F487-M491 HydrophobicContact CE1-CG 3.54Å; F487-M491 HydrophobicContact CE1-SD 4.44Å; F487-M491 HydrophobicContact CE2-CG 4.18Å; F487-M491 HydrophobicContact CE2-SD 4.1Å; F487-M491 HydrophobicContact CG-CG 4.45Å; F487-M491 HydrophobicContact CZ-CG 3.66Å; F487-M491 HydrophobicContact CZ-SD 3.96Å; F487-M491 WeakPolarHBondContact O-CB 3.47Å; F487-M491 VanDerWaalsContact O-CG 3.24Å; F487-M491 WeakPolarHBondContact O-CG 3.31Å; F487-M491 PolarHBondContact O-N 3.31Å; F487-V504 HydrophobicContact CE2-CG1 3.6Å; F487-V504 HydrophobicContact CZ-CG1 3.67Å
488N90.1Very high89.6Confident86 Ų8676.9 Ų76.946%0.4640%0.398SS..Hα-helixtrans-64.3-33.8177.2-69.8-23.3000111.4V484 D485 M491 S492V484-N488 WeakPolarHBondContact O-CB 3.37Å; V484-N488 PolarHBondContact O-N 2.95Å; V484-N488 PolarHBondContact O-ND2 2.9Å; V484-N488 VanDerWaalsContact O-ND2 3.14Å; V484-N488 PolarHBondContact O-OD1 3.38Å; D485-N488 CarbonylContact O-C 3.56Å; D485-N488 WeakPolarHBondContact O-CA 3.39Å; D485-N488 WeakPolarHBondContact O-CB 3.14Å; D485-N488 PolarHBondContact O-N 2.95Å; N488-M491 PolarHBondContact O-N 3.19Å; N488-S492 PolarHBondContact O-N 3.43Å; N488-S492 PolarHBondContact O-OG 2.57Å
489E91.8Very high89.6Confident101 Ų10176 Ų7647%0.47240%0.403SS..Hα-helixtrans-69.9-42.5173.6-155.8-155.717900112D485 D486 F487 M491 S492 K493D485-E489 PolarHBondContact O-N 3.35Å; D486-E489 PolarHBondContact O-N 3.26Å; F487-E489 VanDerWaalsContact C-N 3.26Å; F487-E489 PolarHBondContact O-N 3.03Å; E489-M491 VanDerWaalsContact C-N 3.28Å; E489-M491 PolarHBondContact O-N 2.78Å; E489-S492 PolarHBondContact O-N 3.24Å; E489-S492 PolarHBondContact O-OG 3.24Å; E489-K493 VanDerWaalsContact CD-CE 3.44Å; E489-K493 HydrophobicContact CG-CD 4.41Å; E489-K493 WeakPolarHBondContact O-CB 3.36Å; E489-K493 VanDerWaalsContact O-CG 3.27Å; E489-K493 WeakPolarHBondContact O-CG 3.49Å; E489-K493 PolarHBondContact O-N 3.01Å; E489-K493 WeakPolarHBondContact OE1-CE 3.39Å; E489-K493 IonicContact OE1-NZ 3.62Å; E489-K493 PolarHBondContact OE1-NZ 3.16Å; E489-K493 IonicContact OE2-NZ 2.87Å; E489-K493 PolarHBondContact OE2-NZ 3.1Å
490L88.9Confident89.5Confident24 Ų2477.8 Ų77.813%0.12641%0.411CS..Hα-helixtrans-60.1-40.2171.5-174.366.9000111F474 M478 L482 D486 F487 H494F474-L490 HydrophobicContact CB-CD2 4.28Å; F474-L490 HydrophobicContact CD1-CD1 3.99Å; F474-L490 HydrophobicContact CD1-CD2 3.8Å; F474-L490 HydrophobicContact CD1-CG 3.84Å; F474-L490 HydrophobicContact CD2-CD2 4.23Å; F474-L490 HydrophobicContact CE1-CD1 4.48Å; F474-L490 HydrophobicContact CE1-CD2 4.15Å; F474-L490 HydrophobicContact CE1-CG 3.97Å; F474-L490 HydrophobicContact CG-CD2 3.85Å; F474-L490 HydrophobicContact CG-CG 4.4Å; F474-L490 HydrophobicContact CZ-CD2 4.5Å; M478-L490 HydrophobicContact CE-CD2 4.21Å; L482-L490 HydrophobicContact CD1-CD2 3.72Å; D486-L490 WeakPolarHBondContact O-CB 3.39Å; D486-L490 PolarHBondContact O-N 3.48Å; F487-L490 PolarHBondContact O-N 2.97Å; L490-H494 PolarHBondContact O-CD2 2.88Å; L490-H494 VanDerWaalsContact O-CD2 3.24Å; L490-H494 PolarHBondContact O-N 3.03Å
491M87.5Confident89.4Confident31 Ų3178.4 Ų78.415%0.15341%0.414CS..Hα-helixtrans-73-23177.4-67.8-36.2-47.100114.4F474 F487 N488 E489 L496 L501 V504F474-M491 HydrophobicContact CE1-SD 4.31Å; F474-M491 HydrophobicContact CE2-SD 4.43Å; F474-M491 HydrophobicContact CZ-CE 4Å; F474-M491 HydrophobicContact CZ-SD 3.64Å; F487-M491 HydrophobicContact CD1-CG 3.95Å; F487-M491 HydrophobicContact CE1-CG 3.54Å; F487-M491 HydrophobicContact CE1-SD 4.44Å; F487-M491 HydrophobicContact CE2-CG 4.18Å; F487-M491 HydrophobicContact CE2-SD 4.1Å; F487-M491 HydrophobicContact CG-CG 4.45Å; F487-M491 HydrophobicContact CZ-CG 3.66Å; F487-M491 HydrophobicContact CZ-SD 3.96Å; F487-M491 WeakPolarHBondContact O-CB 3.47Å; F487-M491 VanDerWaalsContact O-CG 3.24Å; F487-M491 WeakPolarHBondContact O-CG 3.31Å; F487-M491 PolarHBondContact O-N 3.31Å; N488-M491 PolarHBondContact O-N 3.19Å; E489-M491 VanDerWaalsContact C-N 3.28Å; E489-M491 PolarHBondContact O-N 2.78Å; M491-L496 HydrophobicContact CE-CB 4.45Å; M491-L496 HydrophobicContact CE-CD1 3.6Å; M491-L496 HydrophobicContact CE-CG 3.99Å; M491-L501 HydrophobicContact CE-CD2 3.43Å; M491-L501 VanDerWaalsContact CE-CD2 3.43Å; M491-V504 HydrophobicContact SD-CG1 3.94Å
492S86.9Confident89.3Confident91 Ų9176.4 Ų76.464%0.63641%0.411SS*.Hα-helixtrans-86.3-29.4173.9680000112.5N488 E489N488-S492 PolarHBondContact O-N 3.43Å; N488-S492 PolarHBondContact O-OG 2.57Å; E489-S492 PolarHBondContact O-N 3.24Å; E489-S492 PolarHBondContact O-OG 3.24Å
493K85.4Confident89.2Confident128 Ų12875.4 Ų75.456%0.55741%0.406SS*.Hα-helixtrans-68.5-34.5172.5-73.7166.7-179.7167.90113E489E489-K493 VanDerWaalsContact CD-CE 3.44Å; E489-K493 HydrophobicContact CG-CD 4.41Å; E489-K493 WeakPolarHBondContact O-CB 3.36Å; E489-K493 VanDerWaalsContact O-CG 3.27Å; E489-K493 WeakPolarHBondContact O-CG 3.49Å; E489-K493 PolarHBondContact O-N 3.01Å; E489-K493 WeakPolarHBondContact OE1-CE 3.39Å; E489-K493 IonicContact OE1-NZ 3.62Å; E489-K493 PolarHBondContact OE1-NZ 3.16Å; E489-K493 IonicContact OE2-NZ 2.87Å; E489-K493 PolarHBondContact OE2-NZ 3.1Å
494H84.6Confident89.2Confident62 Ų6272.4 Ų72.429%0.28739%0.386SS..SBendtrans-103.4111.5-179.4-66.5-66.1000112.5P473 F474 L490 L496P473-H494 HydrophobicContact CG-CB 4.3Å; F474-H494 AromaticContact CD1-CD2 3.57Å; F474-H494 AromaticContact CD1-NE2 3.87Å; F474-H494 HydrophobicContact CE1-CB 4.26Å; F474-H494 AromaticContact CE1-CD2 3.55Å; L490-H494 PolarHBondContact O-CD2 2.88Å; L490-H494 VanDerWaalsContact O-CD2 3.24Å; L490-H494 PolarHBondContact O-N 3.03Å; H494-L496 VanDerWaalsContact C-N 3.33Å; H494-L496 HydrophobicContact CB-CD2 4.03Å; H494-L496 HydrophobicContact CB-CG 4.15Å; H494-L496 PolarHBondContact O-N 3.14Å
495Q82.3Confident89.3Confident199 Ų19976.5 Ų76.593%0.9339%0.393SS*.  trans-69.187.1171.2-64.9-178.230.100110.4
496L84.3Confident89.3Confident27 Ų2773.1 Ų73.114%0.14138%0.375CS..  trans-95.2142.5177-60.9-159.9000111.8P473 F474 M491 H494 Q500 L501 V504P473-L496 HydrophobicContact CG-CD2 4.23Å; F474-L496 HydrophobicContact CE1-CD1 4.25Å; F474-L496 HydrophobicContact CZ-CD1 3.84Å; M491-L496 HydrophobicContact CE-CB 4.45Å; M491-L496 HydrophobicContact CE-CD1 3.6Å; M491-L496 HydrophobicContact CE-CG 3.99Å; H494-L496 VanDerWaalsContact C-N 3.33Å; H494-L496 HydrophobicContact CB-CD2 4.03Å; H494-L496 HydrophobicContact CB-CG 4.15Å; H494-L496 PolarHBondContact O-N 3.14Å; L496-Q500 HydrophobicContact CB-CB 3.91Å; L496-Q500 HydrophobicContact CD1-CB 4.09Å; L496-L501 HydrophobicContact CB-CD2 4.1Å; L496-L501 HydrophobicContact CB-CG 4.03Å; L496-V504 HydrophobicContact CD1-CG2 4.14Å
497N89.4Confident89.3Confident112 Ų11269.2 Ų69.260%0.59935%0.354SS*.  trans-62.8155.5172-170.22000110.9A499 Q500 L501N497-A499 VanDerWaalsContact C-N 3.28Å; N497-A499 PolarHBondContact O-N 3.07Å; N497-Q500 HydrophobicContact CB-CG 4.47Å; N497-Q500 WeakPolarHBondContact O-CA 3.25Å; N497-Q500 WeakPolarHBondContact O-CB 3.29Å; N497-Q500 PolarHBondContact O-N 2.69Å; N497-L501 PolarHBondContact O-N 2.93Å
498E89.7Confident89.4Confident161 Ų16169.8 Ų69.875%0.75236%0.356SS*.Hα-helixtrans-54.8-41.7-178.9-175171.5-164.400112.5Q500 L501 A502E498-Q500 PolarHBondContact O-N 3.39Å; E498-L501 PolarHBondContact O-N 2.89Å; E498-A502 WeakPolarHBondContact O-CB 2.75Å; E498-A502 PolarHBondContact O-N 2.67Å
499A89.1Confident89.6Confident57 Ų5773.3 Ų73.347%0.47136%0.363SS..Hα-helixtrans-64-35.7175.500000113.4N497 L503N497-A499 VanDerWaalsContact C-N 3.28Å; N497-A499 PolarHBondContact O-N 3.07Å; A499-L503 PolarHBondContact O-N 3.46Å; A499-L503 VanDerWaalsContact O-N 3.11Å
500Q91.1Very high89.7Confident36 Ų3671.8 Ų71.817%0.16835%0.353CS..Hα-helixtrans-69.4-45.4173.2-73.3166.6-37.800110.3L470 I472 L496 N497 E498 A502 L503 V504L470-Q500 HydrophobicContact CB-CG 4.03Å; L470-Q500 HydrophobicContact CD1-CG 4.39Å; L470-Q500 PolarHBondContact O-NE2 2.78Å; I472-Q500 HydrophobicContact CG1-CG 4.37Å; L496-Q500 HydrophobicContact CB-CB 3.91Å; L496-Q500 HydrophobicContact CD1-CB 4.09Å; N497-Q500 HydrophobicContact CB-CG 4.47Å; N497-Q500 WeakPolarHBondContact O-CA 3.25Å; N497-Q500 WeakPolarHBondContact O-CB 3.29Å; N497-Q500 PolarHBondContact O-N 2.69Å; E498-Q500 PolarHBondContact O-N 3.39Å; Q500-A502 VanDerWaalsContact C-N 3.33Å; Q500-A502 PolarHBondContact O-N 3.28Å; Q500-L503 PolarHBondContact O-N 3.48Å; Q500-V504 WeakPolarHBondContact O-CG2 3.25Å; Q500-V504 PolarHBondContact O-N 2.86Å
501L90.8Very high89.8Confident45 Ų4571 Ų7124%0.23635%0.351CS..Hα-helixtrans-60-41.2177.1-70.5169.6000112.3M491 L496 N497 E498 R505M491-L501 HydrophobicContact CE-CD2 3.43Å; M491-L501 VanDerWaalsContact CE-CD2 3.43Å; L496-L501 HydrophobicContact CB-CD2 4.1Å; L496-L501 HydrophobicContact CB-CG 4.03Å; N497-L501 PolarHBondContact O-N 2.93Å; E498-L501 PolarHBondContact O-N 2.89Å; L501-R505 WeakPolarHBondContact O-CB 3.25Å; L501-R505 WeakPolarHBondContact O-CD 3.28Å; L501-R505 VanDerWaalsContact O-CG 3.26Å; L501-R505 WeakPolarHBondContact O-CG 3.39Å; L501-R505 PolarHBondContact O-N 3.01Å; L501-R505 VanDerWaalsContact O-N 3.08Å
502A90.8Very high90.1Very high54 Ų5474.2 Ų74.245%0.44636%0.364SS..Hα-helixtrans-61.5-47.1173.800000111.4E498 Q500 R505 D506E498-A502 WeakPolarHBondContact O-CB 2.75Å; E498-A502 PolarHBondContact O-N 2.67Å; Q500-A502 VanDerWaalsContact C-N 3.33Å; Q500-A502 PolarHBondContact O-N 3.28Å; A502-R505 PolarHBondContact O-N 3.05Å; A502-D506 WeakPolarHBondContact O-CB 3.42Å; A502-D506 PolarHBondContact O-N 2.95Å
503L92.1Very high90.4Very high17 Ų1775.3 Ų75.39%0.08936%0.362CS..Hα-helixtrans-62.3-47.6176.5-179.164.2000111.9R466 L470 I472 A499 Q500 R505 D506 I507R466-L503 HydrophobicContact CB-CD1 4.14Å; R466-L503 HydrophobicContact CB-CD2 3.82Å; L470-L503 HydrophobicContact CD1-CB 4.22Å; L470-L503 HydrophobicContact CD1-CD2 3.74Å; L470-L503 HydrophobicContact CG-CD2 4.2Å; I472-L503 HydrophobicContact CD1-CD2 3.87Å; I472-L503 HydrophobicContact CD1-CG 4.32Å; A499-L503 PolarHBondContact O-N 3.46Å; A499-L503 VanDerWaalsContact O-N 3.11Å; Q500-L503 PolarHBondContact O-N 3.48Å; L503-R505 VanDerWaalsContact C-N 3.32Å; L503-R505 PolarHBondContact O-N 3.48Å; L503-D506 PolarHBondContact O-N 2.73Å; L503-I507 HydrophobicContact CD1-CD1 3.86Å; L503-I507 HydrophobicContact CD1-CG1 3.91Å; L503-I507 HydrophobicContact CD2-CD1 4.19Å; L503-I507 HydrophobicContact CG-CD1 3.69Å; L503-I507 HydrophobicContact CG-CG1 4.13Å; L503-I507 WeakPolarHBondContact O-CB 3.26Å; L503-I507 VanDerWaalsContact O-CG1 3.25Å; L503-I507 WeakPolarHBondContact O-CG1 3.22Å; L503-I507 PolarHBondContact O-N 3.22Å
504V92.6Very high90.6Very high1 Ų173.4 Ų73.41%0.00635%0.354CS..Hα-helixtrans-57.1-45.7179174.30000111.1I472 F474 I479 F487 M491 L496 Q500 I507 R508I472-V504 HydrophobicContact CD1-CG2 3.65Å; I472-V504 HydrophobicContact CG1-CG2 4.43Å; I472-V504 HydrophobicContact CG2-CG2 4.25Å; F474-V504 HydrophobicContact CE2-CG1 4.25Å; F474-V504 HydrophobicContact CE2-CG2 3.95Å; F474-V504 HydrophobicContact CZ-CG2 4.14Å; I479-V504 HydrophobicContact CD1-CG1 4.19Å; I479-V504 HydrophobicContact CD1-CG2 4.16Å; I479-V504 HydrophobicContact CG1-CG1 4.08Å; I479-V504 HydrophobicContact CG2-CG1 3.9Å; I479-V504 WeakPolarHBondContact CG2-O 3.4Å; F487-V504 HydrophobicContact CE2-CG1 3.6Å; F487-V504 HydrophobicContact CZ-CG1 3.67Å; M491-V504 HydrophobicContact SD-CG1 3.94Å; L496-V504 HydrophobicContact CD1-CG2 4.14Å; Q500-V504 WeakPolarHBondContact O-CG2 3.25Å; Q500-V504 PolarHBondContact O-N 2.86Å; V504-I507 PolarHBondContact O-N 2.93Å; V504-R508 WeakPolarHBondContact O-CB 3.47Å; V504-R508 PolarHBondContact O-N 3.32Å
505R91.8Very high90.9Very high165 Ų16573.4 Ų73.462%0.62336%0.358SS*.Hα-helixtrans-62.6-42.9177.4-72.1168.3179.6153.20.2111.9L501 A502 L503 R508 R509L501-R505 WeakPolarHBondContact O-CB 3.25Å; L501-R505 WeakPolarHBondContact O-CD 3.28Å; L501-R505 VanDerWaalsContact O-CG 3.26Å; L501-R505 WeakPolarHBondContact O-CG 3.39Å; L501-R505 PolarHBondContact O-N 3.01Å; L501-R505 VanDerWaalsContact O-N 3.08Å; A502-R505 PolarHBondContact O-N 3.05Å; L503-R505 VanDerWaalsContact C-N 3.32Å; L503-R505 PolarHBondContact O-N 3.48Å; R505-R508 PolarHBondContact O-N 2.87Å; R505-R509 VanDerWaalsContact O-CB 3.25Å; R505-R509 WeakPolarHBondContact O-CB 3.42Å; R505-R509 PolarHBondContact O-N 3.41Å
506D93.2Very high91.4Very high40 Ų4066.2 Ų66.221%0.21433%0.333CS..Hα-helixtrans-68.7-38.6179.6-178.646.2000112.8A502 L503 R509 R510A502-D506 WeakPolarHBondContact O-CB 3.42Å; A502-D506 PolarHBondContact O-N 2.95Å; L503-D506 PolarHBondContact O-N 2.73Å; D506-R509 PolarHBondContact O-N 2.9Å; D506-R509 IonicContact OD1-CZ 2.57Å; D506-R509 IonicContact OD1-NE 2.67Å; D506-R509 IonicContact OD1-NH2 3.64Å; D506-R509 PolarHBondContact OD1-NH2 2.97Å; D506-R510 PolarHBondContact O-N 3.18Å; D506-R510 IonicContact OD1-CZ 3.51Å; D506-R510 IonicContact OD1-NH1 3.58Å; D506-R510 PolarHBondContact OD1-NH1 2.86Å; D506-R510 IonicContact OD2-CZ 3.55Å; D506-R510 IonicContact OD2-NH1 2.65Å; D506-R510 PolarHBondContact OD2-NH1 3.31Å; D506-R510 IonicContact OD2-NH2 3.09Å; D506-R510 PolarHBondContact OD2-NH2 3.47Å
507I91.9Very high91.8Very high1 Ų166.6 Ų66.61%0.00534%0.34CS..Hα-helixtrans-61.7-50.8171-68.2178.6000110.3D463 A467 V476 I479 I480 L503 V504 R509 R510 G511D463-I507 HydrophobicContact CB-CD1 3.95Å; D463-I507 HydrophobicContact CB-CG1 3.81Å; D463-I507 HydrophobicContact CB-CG2 4.43Å; A467-I507 HydrophobicContact CB-CD1 4.29Å; V476-I507 HydrophobicContact CB-CG2 4.49Å; V476-I507 HydrophobicContact CG1-CG2 3.8Å; V476-I507 HydrophobicContact CG2-CD1 4.31Å; V476-I507 HydrophobicContact CG2-CG2 4.3Å; I479-I507 HydrophobicContact CB-CG2 4.3Å; I479-I507 HydrophobicContact CD1-CG2 4.41Å; I479-I507 HydrophobicContact CG2-CB 4.06Å; I479-I507 HydrophobicContact CG2-CG2 3.73Å; I480-I507 HydrophobicContact CG1-CG2 4.38Å; L503-I507 HydrophobicContact CD1-CD1 3.86Å; L503-I507 HydrophobicContact CD1-CG1 3.91Å; L503-I507 HydrophobicContact CD2-CD1 4.19Å; L503-I507 HydrophobicContact CG-CD1 3.69Å; L503-I507 HydrophobicContact CG-CG1 4.13Å; L503-I507 WeakPolarHBondContact O-CB 3.26Å; L503-I507 VanDerWaalsContact O-CG1 3.25Å; L503-I507 WeakPolarHBondContact O-CG1 3.22Å; L503-I507 PolarHBondContact O-N 3.22Å; V504-I507 PolarHBondContact O-N 2.93Å; I507-R509 VanDerWaalsContact C-N 3.31Å; I507-R509 PolarHBondContact O-N 3.38Å; I507-R510 PolarHBondContact O-N 2.95Å; I507-G511 PolarHBondContact O-N 3.02Å
508R94.1Very high91.7Very high27 Ų2763.9 Ų63.910%0.10232%0.324CS..Hα-helixtrans-58.4-43.3178.4-170.7165.8-156.5-148.75111.9I479 L482 P483 V504 R505 K512I479-R508 HydrophobicContact CG2-CB 3.72Å; I479-R508 WeakPolarHBondContact O-CD 3.32Å; I479-R508 WeakPolarHBondContact O-CG 3.39Å; I479-R508 PolarHBondContact O-NE 3.33Å; I479-R508 VanDerWaalsContact O-NE 3.13Å; L482-R508 PolarHBondContact O-NH2 3.43Å; P483-R508 VanDerWaalsContact C-NH2 3.33Å; P483-R508 PolarHBondContact O-NH2 3.23Å; V504-R508 WeakPolarHBondContact O-CB 3.47Å; V504-R508 PolarHBondContact O-N 3.32Å; R505-R508 PolarHBondContact O-N 2.87Å; R508-K512 HydrophobicContact CG-CD 4.42Å; R508-K512 WeakPolarHBondContact O-CB 3.25Å; R508-K512 WeakPolarHBondContact O-CG 3.34Å; R508-K512 PolarHBondContact O-N 3.23Å
509R94.5Very high91.9Very high161 Ų16160.5 Ų60.561%0.60831%0.311SS*.Hα-helixtrans-62.1-46.3176.5-175.1-172.767.692.11.1111.8R505 D506 I507 N513R505-R509 VanDerWaalsContact O-CB 3.25Å; R505-R509 WeakPolarHBondContact O-CB 3.42Å; R505-R509 PolarHBondContact O-N 3.41Å; D506-R509 PolarHBondContact O-N 2.9Å; D506-R509 IonicContact OD1-CZ 2.57Å; D506-R509 IonicContact OD1-NE 2.67Å; D506-R509 IonicContact OD1-NH2 3.64Å; D506-R509 PolarHBondContact OD1-NH2 2.97Å; I507-R509 VanDerWaalsContact C-N 3.31Å; I507-R509 PolarHBondContact O-N 3.38Å; R509-N513 VanDerWaalsContact O-CB 3.29Å; R509-N513 WeakPolarHBondContact O-CB 3.46Å; R509-N513 PolarHBondContact O-N 2.91Å
510R92.3Very high92.1Very high69 Ų6961.7 Ų61.726%0.2632%0.315SS..Hα-helixtrans-63.3-47.8175.2-90.1-162.3-70-77.1-8.1112.4D463 D506 I507 N513 K514D463-R510 VanDerWaalsContact CG-NH2 3.27Å; D463-R510 IonicContact OD1-CZ 2.73Å; D463-R510 IonicContact OD1-NE 2.68Å; D463-R510 IonicContact OD1-NH2 3.64Å; D463-R510 PolarHBondContact OD1-NH2 3.44Å; D463-R510 IonicContact OD2-CZ 3.18Å; D463-R510 IonicContact OD2-NE 3.2Å; D463-R510 PolarHBondContact OD2-NE 2.82Å; D463-R510 IonicContact OD2-NH2 3.8Å; D463-R510 PolarHBondContact OD2-NH2 3Å; D506-R510 PolarHBondContact O-N 3.18Å; D506-R510 IonicContact OD1-CZ 3.51Å; D506-R510 IonicContact OD1-NH1 3.58Å; D506-R510 PolarHBondContact OD1-NH1 2.86Å; D506-R510 IonicContact OD2-CZ 3.55Å; D506-R510 IonicContact OD2-NH1 2.65Å; D506-R510 PolarHBondContact OD2-NH1 3.31Å; D506-R510 IonicContact OD2-NH2 3.09Å; D506-R510 PolarHBondContact OD2-NH2 3.47Å; I507-R510 PolarHBondContact O-N 2.95Å; R510-N513 PolarHBondContact O-N 3.46Å; R510-K514 PolarHBondContact O-N 3Å
511G92.4Very high92.1Very high8 Ų863.4 Ų63.48%0.08232%0.32CS..Hα-helixtrans-60.3-47.9179.700000112.5I507 N513 K514 V515I507-G511 PolarHBondContact O-N 3.02Å; G511-N513 VanDerWaalsContact C-N 3.32Å; G511-N513 PolarHBondContact O-N 2.87Å; G511-K514 PolarHBondContact O-N 2.87Å; G511-V515 WeakPolarHBondContact O-CG2 3.42Å; G511-V515 PolarHBondContact O-N 3.11Å
512K92.1Very high92.2Very high97 Ų9765.5 Ų65.542%0.42233%0.327SS..Hα-helixtrans-64.8-34.1176.2-69.2-166.9177-163.50112.7I480 R508 A516I480-K512 WeakPolarHBondContact O-CE 3.44Å; R508-K512 HydrophobicContact CG-CD 4.42Å; R508-K512 WeakPolarHBondContact O-CB 3.25Å; R508-K512 WeakPolarHBondContact O-CG 3.34Å; R508-K512 PolarHBondContact O-N 3.23Å; K512-A516 VanDerWaalsContact O-CB 3.25Å; K512-A516 WeakPolarHBondContact O-CB 3.44Å; K512-A516 PolarHBondContact O-N 2.98Å
513N93.3Very high92.4Very high114 Ų11471.5 Ų71.561%0.6134%0.338SS*.Hα-helixtrans-67.2-41.5172.7-177.7-99.5000112.5R509 R510 G511 A516 A517R509-N513 VanDerWaalsContact O-CB 3.29Å; R509-N513 WeakPolarHBondContact O-CB 3.46Å; R509-N513 PolarHBondContact O-N 2.91Å; R510-N513 PolarHBondContact O-N 3.46Å; G511-N513 VanDerWaalsContact C-N 3.32Å; G511-N513 PolarHBondContact O-N 2.87Å; N513-A516 PolarHBondContact O-N 2.77Å; N513-A517 WeakPolarHBondContact O-CB 3.46Å; N513-A517 PolarHBondContact O-N 3.17Å
514K91.4Very high92.5Very high89 Ų8975.8 Ų75.839%0.38736%0.356SS..Hα-helixtrans-58.7-49.5173.2-177.8-174.2175.1-174.40111.4R510 G511 A516 A517 Q518R510-K514 PolarHBondContact O-N 3Å; G511-K514 PolarHBondContact O-N 2.87Å; K514-A516 VanDerWaalsContact C-N 3.34Å; K514-A516 PolarHBondContact O-N 2.72Å; K514-A517 PolarHBondContact O-N 3.19Å; K514-Q518 WeakPolarHBondContact O-CG 3.07Å; K514-Q518 PolarHBondContact O-N 3.49Å
515V90.6Very high92.4Very high61 Ų6179.6 Ų79.637%0.3738%0.375SS..Hα-helixtrans-64.3-38.6178.41740000111.5G511 Q518 N519G511-V515 WeakPolarHBondContact O-CG2 3.42Å; G511-V515 PolarHBondContact O-N 3.11Å; V515-Q518 PolarHBondContact O-N 2.92Å; V515-N519 WeakPolarHBondContact O-CB 3.48Å; V515-N519 PolarHBondContact O-N 3.45Å; V515-N519 PolarHBondContact O-ND2 3Å
516A92.5Very high92.4Very high48 Ų4876.5 Ų76.540%0.39737%0.367SS..Hα-helixtrans-63-46.1174.200000112K512 N513 K514 Q518 N519 C520K512-A516 VanDerWaalsContact O-CB 3.25Å; K512-A516 WeakPolarHBondContact O-CB 3.44Å; K512-A516 PolarHBondContact O-N 2.98Å; N513-A516 PolarHBondContact O-N 2.77Å; K514-A516 VanDerWaalsContact C-N 3.34Å; K514-A516 PolarHBondContact O-N 2.72Å; A516-Q518 PolarHBondContact O-N 2.96Å; A516-N519 PolarHBondContact O-N 3.48Å; A516-C520 WeakPolarHBondContact O-CB 3.26Å; A516-C520 PolarHBondContact O-N 2.84Å; A516-C520 PolarHBondContact O-SG 2.85Å; A516-C520 VanDerWaalsContact O-SG 3.34Å
517A91.8Very high92.4Very high35 Ų3578.1 Ų78.129%0.28938%0.376SS..Hα-helixtrans-60.9-44.2176.300000112N513 K514 N519 C520 R521N513-A517 WeakPolarHBondContact O-CB 3.46Å; N513-A517 PolarHBondContact O-N 3.17Å; K514-A517 PolarHBondContact O-N 3.19Å; A517-N519 PolarHBondContact O-N 2.95Å; A517-C520 PolarHBondContact O-N 3.36Å; A517-R521 WeakPolarHBondContact O-CG 3.14Å; A517-R521 PolarHBondContact O-N 3.36Å
518Q88.2Confident92.4Very high55 Ų5580.8 Ų80.826%0.25739%0.39SS..Hα-helixtrans-61.2-43174.8-73.6179.9-38.800112K514 V515 A516 R521 K522K514-Q518 WeakPolarHBondContact O-CG 3.07Å; K514-Q518 PolarHBondContact O-N 3.49Å; V515-Q518 PolarHBondContact O-N 2.92Å; A516-Q518 PolarHBondContact O-N 2.96Å; Q518-R521 PolarHBondContact O-N 3.08Å; Q518-K522 VanDerWaalsContact O-CB 3.25Å; Q518-K522 WeakPolarHBondContact O-CB 3.13Å; Q518-K522 PolarHBondContact O-N 3.48Å
519N93.2Very high92.1Very high90 Ų9082.8 Ų82.848%0.48140%0.404SS..Hα-helixtrans-68.3-35.6176.4-78.5-29.4000113.1V515 A516 A517 R523V515-N519 WeakPolarHBondContact O-CB 3.48Å; V515-N519 PolarHBondContact O-N 3.45Å; V515-N519 PolarHBondContact O-ND2 3Å; A516-N519 PolarHBondContact O-N 3.48Å; A517-N519 PolarHBondContact O-N 2.95Å; N519-R523 WeakPolarHBondContact O-CB 3.24Å; N519-R523 PolarHBondContact O-N 3.45Å
520C94.5Very high92Very high83 Ų8376.6 Ų76.656%0.56139%0.391SS*.Hα-helixtrans-64.7-46.1172.9-740000111.7A516 A517 K524A516-C520 WeakPolarHBondContact O-CB 3.26Å; A516-C520 PolarHBondContact O-N 2.84Å; A516-C520 PolarHBondContact O-SG 2.85Å; A516-C520 VanDerWaalsContact O-SG 3.34Å; A517-C520 PolarHBondContact O-N 3.36Å; C520-K524 PolarHBondContact O-N 2.86Å
521R90.4Very high92.1Very high71 Ų7177.4 Ų77.427%0.26840%0.4SS..Hα-helixtrans-62.4-48.3174.5-71.2-179.9-173.3136.7-7.7111.3D25 A517 Q518 R523 K524 M525D25-R521 IonicContact OD1-CZ 3.26Å; D25-R521 IonicContact OD1-NH1 2.68Å; D25-R521 PolarHBondContact OD1-NH1 3.25Å; D25-R521 IonicContact OD1-NH2 3.53Å; D25-R521 WeakPolarHBondContact OD2-CD 3.41Å; D25-R521 IonicContact OD2-CZ 2.6Å; D25-R521 VanDerWaalsContact OD2-CZ 3.26Å; D25-R521 IonicContact OD2-NE 2.75Å; D25-R521 IonicContact OD2-NH1 3.87Å; D25-R521 PolarHBondContact OD2-NH1 2.95Å; A517-R521 WeakPolarHBondContact O-CG 3.14Å; A517-R521 PolarHBondContact O-N 3.36Å; Q518-R521 PolarHBondContact O-N 3.08Å; R521-R523 PolarHBondContact O-N 3.48Å; R521-K524 PolarHBondContact O-N 2.84Å; R521-K524 VanDerWaalsContact O-N 3.09Å; R521-M525 WeakPolarHBondContact O-CG 3.23Å; R521-M525 PolarHBondContact O-N 2.95Å
522K92Very high91.9Very high89 Ų8982 Ų8239%0.38742%0.419SS..Hα-helixtrans-52.5-54.3176.2-176.1-170.2157.3-176.80110.9Q518 K524 M525 E526Q518-K522 VanDerWaalsContact O-CB 3.25Å; Q518-K522 WeakPolarHBondContact O-CB 3.13Å; Q518-K522 PolarHBondContact O-N 3.48Å; K522-K524 VanDerWaalsContact C-N 3.27Å; K522-K524 PolarHBondContact O-N 3.43Å; K522-M525 PolarHBondContact O-N 2.6Å; K522-M525 VanDerWaalsContact O-N 3.1Å; K522-E526 WeakPolarHBondContact CE-OE1 3.39Å; K522-E526 VanDerWaalsContact CE-OE2 3.28Å; K522-E526 WeakPolarHBondContact CE-OE2 3.19Å; K522-E526 HydrophobicContact CG-CG 4.44Å; K522-E526 IonicContact NZ-OE1 3.05Å; K522-E526 PolarHBondContact NZ-OE1 3.19Å; K522-E526 WeakPolarHBondContact O-CG 3.21Å; K522-E526 PolarHBondContact O-N 3.47Å
523R95.8Very high92Very high180 Ų18079.3 Ų79.368%0.67942%0.42SS*.Hα-helixtrans-59.8-36.4178.6-172.9-175.4-63.7158.8-0.2112.5N519 R521 N527N519-R523 WeakPolarHBondContact O-CB 3.24Å; N519-R523 PolarHBondContact O-N 3.45Å; R521-R523 PolarHBondContact O-N 3.48Å; R523-N527 VanDerWaalsContact O-CB 3.3Å; R523-N527 WeakPolarHBondContact O-CB 3.24Å; R523-N527 PolarHBondContact O-N 2.96Å
524K94.5Very high92.1Very high107 Ų10779.4 Ų79.447%0.46542%0.416SS..Hα-helixtrans-70-35.7176.9-175.355.4-173.1162.50112.3C520 R521 K522 N527 I528C520-K524 PolarHBondContact O-N 2.86Å; R521-K524 PolarHBondContact O-N 2.84Å; R521-K524 VanDerWaalsContact O-N 3.09Å; K522-K524 VanDerWaalsContact C-N 3.27Å; K522-K524 PolarHBondContact O-N 3.43Å; K524-N527 PolarHBondContact NZ-OD1 2.95Å; K524-N527 VanDerWaalsContact NZ-OD1 3.1Å; K524-I528 HydrophobicContact CG-CD1 4.39Å; K524-I528 WeakPolarHBondContact O-CG1 3.48Å; K524-I528 PolarHBondContact O-N 3.38Å
525M89.6Confident92.2Very high82 Ų8279.7 Ų79.740%0.40442%0.422SS..Hα-helixtrans-68.5-45.8172.8-61.7-60.894.800111.3R521 K522 N527 I528 V529R521-M525 WeakPolarHBondContact O-CG 3.23Å; R521-M525 PolarHBondContact O-N 2.95Å; K522-M525 PolarHBondContact O-N 2.6Å; K522-M525 VanDerWaalsContact O-N 3.1Å; M525-N527 VanDerWaalsContact C-N 3.27Å; M525-N527 PolarHBondContact O-N 2.99Å; M525-I528 HydrophobicContact CE-CD1 3.84Å; M525-I528 PolarHBondContact O-N 3.31Å; M525-I528 VanDerWaalsContact O-N 3.1Å; M525-V529 WeakPolarHBondContact O-CG2 3.26Å; M525-V529 PolarHBondContact O-N 3.42Å
526E91.6Very high92.3Very high100 Ų10081.1 Ų81.147%0.46743%0.427SS..Hα-helixtrans-57.8-39.5175.1-71171.6139.200111.9K522 G530K522-E526 WeakPolarHBondContact CE-OE1 3.39Å; K522-E526 VanDerWaalsContact CE-OE2 3.28Å; K522-E526 WeakPolarHBondContact CE-OE2 3.19Å; K522-E526 HydrophobicContact CG-CG 4.44Å; K522-E526 IonicContact NZ-OE1 3.05Å; K522-E526 PolarHBondContact NZ-OE1 3.19Å; K522-E526 WeakPolarHBondContact O-CG 3.21Å; K522-E526 PolarHBondContact O-N 3.47Å; E526-G530 PolarHBondContact O-N 2.85Å
527N94.8Very high92.5Very high74 Ų7482 Ų8240%0.39643%0.43SS..Hα-helixtrans-68-38174167.1-117.6000113.4R523 K524 M525 L531R523-N527 VanDerWaalsContact O-CB 3.3Å; R523-N527 WeakPolarHBondContact O-CB 3.24Å; R523-N527 PolarHBondContact O-N 2.96Å; K524-N527 PolarHBondContact NZ-OD1 2.95Å; K524-N527 VanDerWaalsContact NZ-OD1 3.1Å; M525-N527 VanDerWaalsContact C-N 3.27Å; M525-N527 PolarHBondContact O-N 2.99Å; N527-L531 VanDerWaalsContact O-CG 3.28Å; N527-L531 WeakPolarHBondContact O-CG 3.46Å; N527-L531 PolarHBondContact O-N 2.93Å; N527-L531 VanDerWaalsContact O-N 3.1Å
528I90.3Very high92.7Very high57 Ų5785.1 Ų85.129%0.29244%0.442SS..Hα-helixtrans-65.7-49.3175.6-73.8171.1000110.1K524 M525 G530 L531 E532K524-I528 HydrophobicContact CG-CD1 4.39Å; K524-I528 WeakPolarHBondContact O-CG1 3.48Å; K524-I528 PolarHBondContact O-N 3.38Å; M525-I528 HydrophobicContact CE-CD1 3.84Å; M525-I528 PolarHBondContact O-N 3.31Å; M525-I528 VanDerWaalsContact O-N 3.1Å; I528-G530 VanDerWaalsContact C-N 3.29Å; I528-G530 PolarHBondContact O-N 3.05Å; I528-L531 PolarHBondContact O-N 2.87Å; I528-L531 VanDerWaalsContact O-N 3.12Å; I528-E532 HydrophobicContact CG2-CG 4.22Å; I528-E532 WeakPolarHBondContact CG2-OE1 3.39Å; I528-E532 WeakPolarHBondContact O-CG 3.47Å; I528-E532 PolarHBondContact O-N 3.23Å
529V89.1Confident93Very high68 Ų6886.8 Ų86.841%0.41245%0.448SS..Hα-helixtrans-62.5-36179.4176.40000112I37 M525 E532 G533I37-V529 HydrophobicContact CD1-CG1 4.13Å; I37-V529 HydrophobicContact CD1-CG2 4.41Å; M525-V529 WeakPolarHBondContact O-CG2 3.26Å; M525-V529 PolarHBondContact O-N 3.42Å; V529-E532 PolarHBondContact O-N 3.16Å; V529-G533 PolarHBondContact O-N 3.35Å
530G91.9Very high93.2Very high32 Ų3289 Ų8933%0.3346%0.456SS..Hα-helixtrans-60.4-49.3171.800000112.4E526 I528 E532 G533 E534E526-G530 PolarHBondContact O-N 2.85Å; I528-G530 VanDerWaalsContact C-N 3.29Å; I528-G530 PolarHBondContact O-N 3.05Å; G530-E532 VanDerWaalsContact C-N 3.34Å; G530-E532 PolarHBondContact O-N 3.32Å; G530-G533 PolarHBondContact O-N 3.08Å; G530-E534 WeakPolarHBondContact O-CG 3.33Å; G530-E534 PolarHBondContact O-N 3.44Å
531L93.6Very high93.4Very high86 Ų8690.5 Ų90.545%0.4545%0.454SS..Hα-helixtrans-66.3-32.3177.6-70.3168.3000113N527 I528 L535N527-L531 VanDerWaalsContact O-CG 3.28Å; N527-L531 WeakPolarHBondContact O-CG 3.46Å; N527-L531 PolarHBondContact O-N 2.93Å; N527-L531 VanDerWaalsContact O-N 3.1Å; I528-L531 PolarHBondContact O-N 2.87Å; I528-L531 VanDerWaalsContact O-N 3.12Å; L531-L535 WeakPolarHBondContact O-CB 3.36Å; L531-L535 PolarHBondContact O-N 2.95Å
532E89.4Confident93.7Very high103 Ų10392.3 Ų92.348%0.48146%0.461SS..Hα-helixtrans-65.5-44.2172.8-73.1168.5160.200110.7I528 V529 G530 L535 D536I528-E532 HydrophobicContact CG2-CG 4.22Å; I528-E532 WeakPolarHBondContact CG2-OE1 3.39Å; I528-E532 WeakPolarHBondContact O-CG 3.47Å; I528-E532 PolarHBondContact O-N 3.23Å; V529-E532 PolarHBondContact O-N 3.16Å; G530-E532 VanDerWaalsContact C-N 3.34Å; G530-E532 PolarHBondContact O-N 3.32Å; E532-L535 PolarHBondContact O-N 2.8Å; E532-D536 PolarHBondContact O-N 2.9Å
533G92.7Very high94Very high42 Ų4292.2 Ų92.243%0.43347%0.465SS..Hα-helixtrans-65.8-42.3174.900000114V529 G530 L535 D536 S537V529-G533 PolarHBondContact O-N 3.35Å; G530-G533 PolarHBondContact O-N 3.08Å; G533-L535 VanDerWaalsContact C-N 3.35Å; G533-D536 PolarHBondContact O-N 3.13Å; G533-S537 PolarHBondContact O-N 3.19Å; G533-S537 PolarHBondContact O-OG 3.34Å
534E95.7Very high94.1Very high115 Ų11587.2 Ų87.254%0.53746%0.457SS..Hα-helixtrans-61.6-42.1172.8-73169.2-156.500111.5G530 D536 S537 L538G530-E534 WeakPolarHBondContact O-CG 3.33Å; G530-E534 PolarHBondContact O-N 3.44Å; E534-D536 VanDerWaalsContact C-N 3.35Å; E534-D536 PolarHBondContact O-N 2.69Å; E534-S537 PolarHBondContact O-OG 2.87Å; E534-L538 WeakPolarHBondContact O-CB 3.46Å; E534-L538 VanDerWaalsContact O-CG 3.27Å; E534-L538 WeakPolarHBondContact O-CG 3.28Å; E534-L538 PolarHBondContact O-N 2.9Å
535L94.3Very high94.3Very high95 Ų9586.5 Ų86.550%0.49746%0.458SS..Hα-helixtrans-64.8-38.4177177.465.1000111.9L531 E532 G533 K539L531-L535 WeakPolarHBondContact O-CB 3.36Å; L531-L535 PolarHBondContact O-N 2.95Å; E532-L535 PolarHBondContact O-N 2.8Å; G533-L535 VanDerWaalsContact C-N 3.35Å; L535-K539 VanDerWaalsContact O-CG 3.3Å; L535-K539 WeakPolarHBondContact O-CG 3.5Å; L535-K539 PolarHBondContact O-N 3.27Å
536D93.1Very high94.7Very high91 Ų9186.9 Ų86.949%0.48746%0.461SS..Hα-helixtrans-73.7-37178.9-76.2-12.7000112.7E532 G533 E534 K539 E540E532-D536 PolarHBondContact O-N 2.9Å; G533-D536 PolarHBondContact O-N 3.13Å; E534-D536 VanDerWaalsContact C-N 3.35Å; E534-D536 PolarHBondContact O-N 2.69Å; D536-K539 WeakPolarHBondContact O-CB 3.38Å; D536-K539 PolarHBondContact O-N 3.45Å; D536-K539 WeakPolarHBondContact OD1-CD 3.43Å; D536-K539 IonicContact OD1-NZ 3.46Å; D536-K539 PolarHBondContact OD1-NZ 2.93Å; D536-E540 PolarHBondContact O-N 3.14Å
537S95.9Very high95Very high66 Ų6685.6 Ų85.646%0.46246%0.457SS..Hα-helixtrans-65.1-40.1172.164.70000112.1G533 E534 K539 E540 E541G533-S537 PolarHBondContact O-N 3.19Å; G533-S537 PolarHBondContact O-OG 3.34Å; E534-S537 PolarHBondContact O-OG 2.87Å; S537-K539 VanDerWaalsContact C-N 3.31Å; S537-K539 PolarHBondContact O-N 2.99Å; S537-E540 PolarHBondContact O-N 2.77Å; S537-E541 PolarHBondContact O-N 3.35Å
538L96.9Very high95.2Very high101 Ų10186.8 Ų86.853%0.52946%0.46SS..Hα-helixtrans-65.9-31.9173.9-71.7170000112.5E534 R542E534-L538 WeakPolarHBondContact O-CB 3.46Å; E534-L538 VanDerWaalsContact O-CG 3.27Å; E534-L538 WeakPolarHBondContact O-CG 3.28Å; E534-L538 PolarHBondContact O-N 2.9Å; L538-R542 WeakPolarHBondContact O-CB 3.22Å; L538-R542 PolarHBondContact O-N 3.22Å; L538-R542 VanDerWaalsContact O-N 3.15Å
539K94.8Very high95.6Very high90 Ų9090.7 Ų90.739%0.39148%0.475SS..Hα-helixtrans-64.8-46.9170.5-76.1168.3-163.1150.50110.9L535 D536 S537 R542 D543L535-K539 VanDerWaalsContact O-CG 3.3Å; L535-K539 WeakPolarHBondContact O-CG 3.5Å; L535-K539 PolarHBondContact O-N 3.27Å; D536-K539 WeakPolarHBondContact O-CB 3.38Å; D536-K539 PolarHBondContact O-N 3.45Å; D536-K539 WeakPolarHBondContact OD1-CD 3.43Å; D536-K539 IonicContact OD1-NZ 3.46Å; D536-K539 PolarHBondContact OD1-NZ 2.93Å; S537-K539 VanDerWaalsContact C-N 3.31Å; S537-K539 PolarHBondContact O-N 2.99Å; K539-R542 VanDerWaalsContact O-CZ 3.31Å; K539-R542 PolarHBondContact O-N 3.39Å; K539-R542 PolarHBondContact O-NE 3.32Å; K539-R542 VanDerWaalsContact O-NE 3.16Å; K539-R542 PolarHBondContact O-NH2 2.88Å; K539-D543 PolarHBondContact O-N 3.09Å
540E97.1Very high96Very high137 Ų13790.3 Ų90.364%0.6448%0.475SS*.Hα-helixtrans-63.7-47.7-178.8-175.5173.9-161.600111.5D536 S537 R542 D543 C544D536-E540 PolarHBondContact O-N 3.14Å; S537-E540 PolarHBondContact O-N 2.77Å; E540-R542 VanDerWaalsContact C-N 3.31Å; E540-R542 PolarHBondContact O-N 3.04Å; E540-D543 PolarHBondContact O-N 3.07Å; E540-D543 VanDerWaalsContact O-N 3.1Å; E540-C544 PolarHBondContact O-N 2.87Å; E540-C544 PolarHBondContact O-SG 3.47Å
541E97.8Very high96.3Very high114 Ų11494 Ų9453%0.53348%0.482SS..Hα-helixtrans-55.1-46.6174.4-176.5-178.5-174.600111.4S537 D543 C544 L545S537-E541 PolarHBondContact O-N 3.35Å; E541-D543 VanDerWaalsContact C-N 3.35Å; E541-D543 PolarHBondContact O-N 3.36Å; E541-C544 WeakPolarHBondContact O-CB 3.24Å; E541-C544 PolarHBondContact O-N 3.27Å; E541-L545 HydrophobicContact CG-CD1 4.01Å; E541-L545 HydrophobicContact CG-CG 4.5Å; E541-L545 WeakPolarHBondContact O-CB 3.45Å; E541-L545 WeakPolarHBondContact O-CG 3.18Å; E541-L545 PolarHBondContact O-N 2.94Å
542R97.8Very high96.6Very high110 Ų11094 Ų9442%0.41548%0.483SS..Hα-helixtrans-64.4-33.2177.6170.1-75.9-41.5172.513.4113L538 K539 E540 L546L538-R542 WeakPolarHBondContact O-CB 3.22Å; L538-R542 PolarHBondContact O-N 3.22Å; L538-R542 VanDerWaalsContact O-N 3.15Å; K539-R542 VanDerWaalsContact O-CZ 3.31Å; K539-R542 PolarHBondContact O-N 3.39Å; K539-R542 PolarHBondContact O-NE 3.32Å; K539-R542 VanDerWaalsContact O-NE 3.16Å; K539-R542 PolarHBondContact O-NH2 2.88Å; E540-R542 VanDerWaalsContact C-N 3.31Å; E540-R542 PolarHBondContact O-N 3.04Å; R542-L546 WeakPolarHBondContact O-CB 3.33Å; R542-L546 VanDerWaalsContact O-CG 3.25Å; R542-L546 WeakPolarHBondContact O-CG 3.46Å; R542-L546 PolarHBondContact O-N 2.74Å; R542-L546 VanDerWaalsContact O-N 3.11Å
543D97.6Very high97Very high86 Ų8692.3 Ų92.346%0.4648%0.479SS..Hα-helixtrans-71.3-42.8172.7-88.8-34.3000111.7K539 E540 E541 L545 L546 D547K539-D543 PolarHBondContact O-N 3.09Å; E540-D543 PolarHBondContact O-N 3.07Å; E540-D543 VanDerWaalsContact O-N 3.1Å; E541-D543 VanDerWaalsContact C-N 3.35Å; E541-D543 PolarHBondContact O-N 3.36Å; D543-L545 VanDerWaalsContact C-N 3.34Å; D543-L545 PolarHBondContact O-N 3.34Å; D543-L546 PolarHBondContact O-N 2.75Å; D543-L546 VanDerWaalsContact O-N 3.16Å; D543-D547 PolarHBondContact O-N 3.14Å
544C98.1Very high97.2Very high75 Ų7594.4 Ų94.451%0.50748%0.484SS..Hα-helixtrans-57.9-44.7173.9-71.90000112.1E540 E541 L546 D547 E548E540-C544 PolarHBondContact O-N 2.87Å; E540-C544 PolarHBondContact O-SG 3.47Å; E541-C544 WeakPolarHBondContact O-CB 3.24Å; E541-C544 PolarHBondContact O-N 3.27Å; C544-L546 VanDerWaalsContact C-N 3.35Å; C544-L546 PolarHBondContact O-N 3.31Å; C544-D547 PolarHBondContact O-N 3.04Å; C544-E548 PolarHBondContact O-N 3.44Å
545L98.4Very high97.4Very high93 Ų9391.6 Ų91.649%0.48748%0.477SS..Hα-helixtrans-67.4-31.1176.5-70.3171.2000113E541 D543 K549E541-L545 HydrophobicContact CG-CD1 4.01Å; E541-L545 HydrophobicContact CG-CG 4.5Å; E541-L545 WeakPolarHBondContact O-CB 3.45Å; E541-L545 WeakPolarHBondContact O-CG 3.18Å; E541-L545 PolarHBondContact O-N 2.94Å; D543-L545 VanDerWaalsContact C-N 3.34Å; D543-L545 PolarHBondContact O-N 3.34Å; L545-K549 WeakPolarHBondContact O-CB 3.45Å; L545-K549 PolarHBondContact O-N 3.2Å
546L98.3Very high97.5Very high90 Ų9091.2 Ų91.247%0.47148%0.475SS..Hα-helixtrans-70.5-40.8173.2-77.5174.2000112.1R542 D543 C544 S550R542-L546 WeakPolarHBondContact O-CB 3.33Å; R542-L546 VanDerWaalsContact O-CG 3.25Å; R542-L546 WeakPolarHBondContact O-CG 3.46Å; R542-L546 PolarHBondContact O-N 2.74Å; R542-L546 VanDerWaalsContact O-N 3.11Å; D543-L546 PolarHBondContact O-N 2.75Å; D543-L546 VanDerWaalsContact O-N 3.16Å; C544-L546 VanDerWaalsContact C-N 3.35Å; C544-L546 PolarHBondContact O-N 3.31Å; L546-S550 PolarHBondContact O-N 2.87Å
547D98.3Very high97.8Very high73 Ų7393.3 Ų93.339%0.3948%0.48SS..Hα-helixtrans-64.8-46.9174.1171.346.7000111.5D543 C544 K549 S550 K551D543-D547 PolarHBondContact O-N 3.14Å; C544-D547 PolarHBondContact O-N 3.04Å; D547-K549 PolarHBondContact O-N 2.76Å; D547-S550 WeakPolarHBondContact O-CA 3.45Å; D547-S550 WeakPolarHBondContact O-CB 3.47Å; D547-S550 PolarHBondContact O-N 3.24Å; D547-S550 PolarHBondContact O-OG 3.32Å; D547-K551 WeakPolarHBondContact O-CG 3.22Å; D547-K551 PolarHBondContact O-N 3.27Å; D547-K551 WeakPolarHBondContact OD1-CE 3.46Å; D547-K551 IonicContact OD1-NZ 3.43Å; D547-K551 PolarHBondContact OD1-NZ 2.96Å; D547-K551 VanDerWaalsContact OD2-CE 3.29Å; D547-K551 WeakPolarHBondContact OD2-CE 3.43Å; D547-K551 IonicContact OD2-NZ 2.6Å; D547-K551 PolarHBondContact OD2-NZ 3.25Å
548E98.5Very high97.9Very high99 Ų9994 Ų9446%0.46348%0.476SS..Hα-helixtrans-60.2-44.8175-159.3-147.8126.700111.7C544 S550 K551 N552C544-E548 PolarHBondContact O-N 3.44Å; E548-S550 PolarHBondContact O-N 3.29Å; E548-K551 WeakPolarHBondContact O-CB 3.34Å; E548-K551 PolarHBondContact O-N 2.87Å; E548-K551 VanDerWaalsContact O-N 3.13Å; E548-N552 WeakPolarHBondContact O-CB 3.21Å; E548-N552 VanDerWaalsContact O-CG 3.31Å; E548-N552 PolarHBondContact O-N 2.97Å; E548-N552 PolarHBondContact O-ND2 2.96Å; E548-N552 PolarHBondContact OE1-ND2 3.42Å
549K98.3Very high97.9Very high138 Ų13894.3 Ų94.360%0.648%0.476SS*.Hα-helixtrans-57.5-37.1172.6-178.4175.5-178173.40112L545 D547 V553L545-K549 WeakPolarHBondContact O-CB 3.45Å; L545-K549 PolarHBondContact O-N 3.2Å; D547-K549 PolarHBondContact O-N 2.76Å; K549-V553 WeakPolarHBondContact O-CB 3.48Å; K549-V553 VanDerWaalsContact O-CG2 3.26Å; K549-V553 WeakPolarHBondContact O-CG2 3.45Å; K549-V553 PolarHBondContact O-N 3.44Å
550S98.1Very high98Very high60 Ų6094.6 Ų94.642%0.4248%0.477SS..Hα-helixtrans-65.7-44.1175.891.30000111.9L546 D547 E548 V553 T554L546-S550 PolarHBondContact O-N 2.87Å; D547-S550 WeakPolarHBondContact O-CA 3.45Å; D547-S550 WeakPolarHBondContact O-CB 3.47Å; D547-S550 PolarHBondContact O-N 3.24Å; D547-S550 PolarHBondContact O-OG 3.32Å; E548-S550 PolarHBondContact O-N 3.29Å; S550-V553 PolarHBondContact O-N 2.85Å; S550-T554 PolarHBondContact O-N 2.95Å; S550-T554 PolarHBondContact O-OG1 3.27Å
551K98.4Very high98Very high110 Ų11095.6 Ų95.648%0.47848%0.475SS..Hα-helixtrans-64.8-41.9176.9-69.7162.3173.7168.10112D547 E548 V553 T554 S555D547-K551 WeakPolarHBondContact O-CG 3.22Å; D547-K551 PolarHBondContact O-N 3.27Å; D547-K551 WeakPolarHBondContact OD1-CE 3.46Å; D547-K551 IonicContact OD1-NZ 3.43Å; D547-K551 PolarHBondContact OD1-NZ 2.96Å; D547-K551 VanDerWaalsContact OD2-CE 3.29Å; D547-K551 WeakPolarHBondContact OD2-CE 3.43Å; D547-K551 IonicContact OD2-NZ 2.6Å; D547-K551 PolarHBondContact OD2-NZ 3.25Å; E548-K551 WeakPolarHBondContact O-CB 3.34Å; E548-K551 PolarHBondContact O-N 2.87Å; E548-K551 VanDerWaalsContact O-N 3.13Å; K551-V553 VanDerWaalsContact C-N 3.33Å; K551-V553 PolarHBondContact O-N 3.19Å; K551-T554 WeakPolarHBondContact CA-OG1 3.35Å; K551-T554 PolarHBondContact O-N 2.98Å; K551-T554 PolarHBondContact O-OG1 3.45Å; K551-S555 VanDerWaalsContact O-CB 3.31Å; K551-S555 WeakPolarHBondContact O-CB 3.49Å; K551-S555 PolarHBondContact O-N 3.3Å
552N98.1Very high98Very high86 Ų8695.4 Ų95.446%0.4647%0.474SS..Hα-helixtrans-65.9-36.9175.7-69.2-22.6000111.2E548 L556E548-N552 WeakPolarHBondContact O-CB 3.21Å; E548-N552 VanDerWaalsContact O-CG 3.31Å; E548-N552 PolarHBondContact O-N 2.97Å; E548-N552 PolarHBondContact O-ND2 2.96Å; E548-N552 PolarHBondContact OE1-ND2 3.42Å; N552-L556 WeakPolarHBondContact O-CB 3.43Å; N552-L556 PolarHBondContact O-N 2.85Å
553V98.3Very high97.8Very high67 Ų6793.8 Ų93.841%0.40647%0.473SS..Hα-helixtrans-68.7-36.7173.5166.60000112.8K549 S550 K551 K557K549-V553 WeakPolarHBondContact O-CB 3.48Å; K549-V553 VanDerWaalsContact O-CG2 3.26Å; K549-V553 WeakPolarHBondContact O-CG2 3.45Å; K549-V553 PolarHBondContact O-N 3.44Å; S550-V553 PolarHBondContact O-N 2.85Å; K551-V553 VanDerWaalsContact C-N 3.33Å; K551-V553 PolarHBondContact O-N 3.19Å; V553-K557 HydrophobicContact CG1-CD 4.32Å; V553-K557 VanDerWaalsContact O-CG 3.27Å; V553-K557 WeakPolarHBondContact O-CG 3.32Å; V553-K557 PolarHBondContact O-N 3.42Å; V553-K557 VanDerWaalsContact O-N 3.14Å
554T98.2Very high97.6Very high86 Ų8692.7 Ų92.753%0.52847%0.467SS..Hα-helixtrans-72.1-43175.154.20000111.8S550 K551 L556 K557 E558S550-T554 PolarHBondContact O-N 2.95Å; S550-T554 PolarHBondContact O-OG1 3.27Å; K551-T554 WeakPolarHBondContact CA-OG1 3.35Å; K551-T554 PolarHBondContact O-N 2.98Å; K551-T554 PolarHBondContact O-OG1 3.45Å; T554-L556 PolarHBondContact O-N 3.03Å; T554-K557 WeakPolarHBondContact O-CB 3.27Å; T554-K557 PolarHBondContact O-N 3.2Å; T554-K557 VanDerWaalsContact O-N 3.17Å; T554-E558 WeakPolarHBondContact O-CB 3.31Å; T554-E558 PolarHBondContact O-N 3.35Å
555S98.3Very high97.5Very high57 Ų5792.6 Ų92.640%0.39947%0.467SS..Hα-helixtrans-57.5-44.4172.5-179.90000112.3K551 K557 E558 M559K551-S555 VanDerWaalsContact O-CB 3.31Å; K551-S555 WeakPolarHBondContact O-CB 3.49Å; K551-S555 PolarHBondContact O-N 3.3Å; S555-K557 VanDerWaalsContact C-N 3.34Å; S555-K557 PolarHBondContact O-N 3.47Å; S555-E558 WeakPolarHBondContact O-CB 3.46Å; S555-E558 PolarHBondContact O-N 3.06Å; S555-M559 WeakPolarHBondContact O-CG 3.48Å; S555-M559 PolarHBondContact O-N 2.99Å
556L98.3Very high97.2Very high86 Ų8692.6 Ų92.645%0.4547%0.468SS..Hα-helixtrans-65.9-33.5176.8-176150.6000112.7N552 T554 K560N552-L556 WeakPolarHBondContact O-CB 3.43Å; N552-L556 PolarHBondContact O-N 2.85Å; T554-L556 PolarHBondContact O-N 3.03Å; L556-K560 HydrophobicContact CD2-CD 3.89Å; L556-K560 WeakPolarHBondContact O-CB 3.36Å; L556-K560 WeakPolarHBondContact O-CG 3.47Å; L556-K560 PolarHBondContact O-N 3.18Å; L556-K560 VanDerWaalsContact O-N 3.08Å
557K97.9Very high96.8Very high136 Ų13689.6 Ų89.659%0.59145%0.45SS*.Hα-helixtrans-68.5-42171.7-73.8167.8-179.7176.90111.9V553 T554 S555 K560 R561V553-K557 HydrophobicContact CG1-CD 4.32Å; V553-K557 VanDerWaalsContact O-CG 3.27Å; V553-K557 WeakPolarHBondContact O-CG 3.32Å; V553-K557 PolarHBondContact O-N 3.42Å; V553-K557 VanDerWaalsContact O-N 3.14Å; T554-K557 WeakPolarHBondContact O-CB 3.27Å; T554-K557 PolarHBondContact O-N 3.2Å; T554-K557 VanDerWaalsContact O-N 3.17Å; S555-K557 VanDerWaalsContact C-N 3.34Å; S555-K557 PolarHBondContact O-N 3.47Å; K557-K560 PolarHBondContact O-N 2.83Å; K557-R561 WeakPolarHBondContact O-CB 3.44Å; K557-R561 PolarHBondContact O-N 2.84Å
558E98.1Very high96.4Very high79 Ų7990.2 Ų90.237%0.36945%0.453SS..Hα-helixtrans-59.1-53174.3169.791.5-11200111T554 S555 K560 R561 Q562T554-E558 WeakPolarHBondContact O-CB 3.31Å; T554-E558 PolarHBondContact O-N 3.35Å; S555-E558 WeakPolarHBondContact O-CB 3.46Å; S555-E558 PolarHBondContact O-N 3.06Å; E558-K560 VanDerWaalsContact C-N 3.33Å; E558-K560 PolarHBondContact O-N 3.12Å; E558-R561 VanDerWaalsContact CD-NH2 3.27Å; E558-R561 WeakPolarHBondContact O-CA 3.36Å; E558-R561 WeakPolarHBondContact O-CB 3.1Å; E558-R561 PolarHBondContact O-N 3.4Å; E558-R561 IonicContact OE1-CZ 3.63Å; E558-R561 IonicContact OE1-NE 3.78Å; E558-R561 IonicContact OE1-NH2 2.69Å; E558-R561 PolarHBondContact OE1-NH2 2.68Å; E558-R561 IonicContact OE2-NH2 3.32Å; E558-R561 PolarHBondContact OE2-NH2 2.61Å; E558-Q562 WeakPolarHBondContact O-CG 3.17Å; E558-Q562 PolarHBondContact O-N 3.46Å; E558-Q562 PolarHBondContact OE1-NE2 3.49Å
559M98.1Very high96.1Very high108 Ų10890.6 Ų90.653%0.53246%0.455SS..Hα-helixtrans-61.3-39.4178.1-70.9-170-71.200112.2S555 R561 Q562 L563S555-M559 WeakPolarHBondContact O-CG 3.48Å; S555-M559 PolarHBondContact O-N 2.99Å; M559-R561 VanDerWaalsContact C-N 3.34Å; M559-R561 PolarHBondContact O-N 3.11Å; M559-Q562 PolarHBondContact O-N 3.03Å; M559-L563 VanDerWaalsContact O-CB 3.29Å; M559-L563 WeakPolarHBondContact O-CB 3.35Å; M559-L563 PolarHBondContact O-N 3.04Å
560K96.4Very high95.7Very high96 Ų9686.5 Ų86.542%0.41744%0.441SS..Hα-helixtrans-62.7-38.2172.7-79-179.1178.61800112.5V291 L556 K557 E558 N564V291-K560 HydrophobicContact CG1-CD 4.04Å; V291-K560 HydrophobicContact CG1-CG 4.31Å; L556-K560 HydrophobicContact CD2-CD 3.89Å; L556-K560 WeakPolarHBondContact O-CB 3.36Å; L556-K560 WeakPolarHBondContact O-CG 3.47Å; L556-K560 PolarHBondContact O-N 3.18Å; L556-K560 VanDerWaalsContact O-N 3.08Å; K557-K560 PolarHBondContact O-N 2.83Å; E558-K560 VanDerWaalsContact C-N 3.33Å; E558-K560 PolarHBondContact O-N 3.12Å; K560-N564 VanDerWaalsContact O-CB 3.26Å; K560-N564 WeakPolarHBondContact O-CB 3.44Å; K560-N564 PolarHBondContact O-N 3.01Å
561R96.8Very high95.3Very high159 Ų15983.9 Ų83.960%0.642%0.422SS*.Hα-helixtrans-64.7-46.2174.1176-18068.5174.3-0.8111.6K557 E558 M559 N564 S565K557-R561 WeakPolarHBondContact O-CB 3.44Å; K557-R561 PolarHBondContact O-N 2.84Å; E558-R561 VanDerWaalsContact CD-NH2 3.27Å; E558-R561 WeakPolarHBondContact O-CA 3.36Å; E558-R561 WeakPolarHBondContact O-CB 3.1Å; E558-R561 PolarHBondContact O-N 3.4Å; E558-R561 IonicContact OE1-CZ 3.63Å; E558-R561 IonicContact OE1-NE 3.78Å; E558-R561 IonicContact OE1-NH2 2.69Å; E558-R561 PolarHBondContact OE1-NH2 2.68Å; E558-R561 IonicContact OE2-NH2 3.32Å; E558-R561 PolarHBondContact OE2-NH2 2.61Å; M559-R561 VanDerWaalsContact C-N 3.34Å; M559-R561 PolarHBondContact O-N 3.11Å; R561-N564 PolarHBondContact O-N 3.24Å; R561-S565 PolarHBondContact O-N 2.83Å
562Q97.3Very high94.7Very high109 Ų10981.9 Ų81.951%0.50942%0.422SS..Hα-helixtrans-63-47.3178.3-67.9174.55.900111.4E558 M559 N564 S565 L566E558-Q562 WeakPolarHBondContact O-CG 3.17Å; E558-Q562 PolarHBondContact O-N 3.46Å; E558-Q562 PolarHBondContact OE1-NE2 3.49Å; M559-Q562 PolarHBondContact O-N 3.03Å; Q562-N564 VanDerWaalsContact C-N 3.33Å; Q562-N564 PolarHBondContact O-N 2.94Å; Q562-S565 WeakPolarHBondContact O-CB 3.42Å; Q562-S565 PolarHBondContact O-N 3.08Å; Q562-L566 PolarHBondContact O-N 2.79Å
563L94.3Very high94.2Very high77 Ų7784.2 Ų84.240%0.40343%0.432SS..Hα-helixtrans-60.2-40.4174.9179.963000112.2F288 F292 M559 Y567F288-L563 HydrophobicContact CE1-CD2 4.11Å; F288-L563 HydrophobicContact CZ-CD2 4.11Å; F292-L563 HydrophobicContact CZ-CD2 4.36Å; F292-L563 HydrophobicContact CZ-CG 4.35Å; M559-L563 VanDerWaalsContact O-CB 3.29Å; M559-L563 WeakPolarHBondContact O-CB 3.35Å; M559-L563 PolarHBondContact O-N 3.04Å; L563-Y567 VanDerWaalsContact O-CB 3.23Å; L563-Y567 WeakPolarHBondContact O-CB 3.48Å; L563-Y567 PolarHBondContact O-N 3.21Å
564N92.9Very high93.8Very high62 Ų6283.6 Ų83.633%0.33243%0.426SS..Hα-helixtrans-66-42.6176.1-171.8-96.5000111.9K560 R561 Q562 Y567 L568K560-N564 VanDerWaalsContact O-CB 3.26Å; K560-N564 WeakPolarHBondContact O-CB 3.44Å; K560-N564 PolarHBondContact O-N 3.01Å; R561-N564 PolarHBondContact O-N 3.24Å; Q562-N564 VanDerWaalsContact C-N 3.33Å; Q562-N564 PolarHBondContact O-N 2.94Å; N564-Y567 PolarHBondContact O-N 3.17Å; N564-L568 WeakPolarHBondContact O-CG 3.3Å; N564-L568 PolarHBondContact O-N 2.99Å
565S95.4Very high93.2Very high73 Ų7385 Ų8551%0.5142%0.422SS..Hα-helixtrans-59-49.4174.8-1670000111.5R561 Q562 Y567 L568 E569R561-S565 PolarHBondContact O-N 2.83Å; Q562-S565 WeakPolarHBondContact O-CB 3.42Å; Q562-S565 PolarHBondContact O-N 3.08Å; S565-Y567 VanDerWaalsContact C-N 3.35Å; S565-Y567 PolarHBondContact O-N 3.3Å; S565-L568 PolarHBondContact O-N 3.33Å; S565-E569 WeakPolarHBondContact O-CB 3.41Å; S565-E569 PolarHBondContact O-N 2.97Å
566L92.9Very high92.5Very high94 Ų9484.3 Ų84.349%0.49241%0.413SS..Hα-helixtrans-64.2-38.1178.4-177.163.7000112.1Q562 E569 V570Q562-L566 PolarHBondContact O-N 2.79Å; L566-E569 PolarHBondContact O-N 3.26Å; L566-V570 HydrophobicContact CD1-CG2 4.34Å; L566-V570 WeakPolarHBondContact O-CG2 3.26Å; L566-V570 PolarHBondContact O-N 2.94Å
567Y90.3Very high91.8Very high27 Ų2789.6 Ų89.611%0.10644%0.436CS..Hα-helixtrans-60.6-47.2174.3-175.5-85.1000111.1F292 L563 N564 S565 F571 T584 L589 R602F292-Y567 HydrophobicContact CD1-CD1 4.29Å; F292-Y567 HydrophobicContact CD1-CE1 4.36Å; F292-Y567 HydrophobicContact CD1-CG 4.38Å; F292-Y567 HydrophobicContact CE1-CD1 4.15Å; F292-Y567 AromaticContact CE1-CD2 3.9Å; F292-Y567 HydrophobicContact CE1-CD2 3.9Å; F292-Y567 HydrophobicContact CE1-CE2 4.31Å; F292-Y567 AromaticContact CE1-CG 3.8Å; F292-Y567 HydrophobicContact CE1-CG 3.8Å; F292-Y567 HydrophobicContact CZ-CD2 4Å; F292-Y567 HydrophobicContact CZ-CE2 4.35Å; F292-Y567 HydrophobicContact CZ-CG 4.34Å; L563-Y567 VanDerWaalsContact O-CB 3.23Å; L563-Y567 WeakPolarHBondContact O-CB 3.48Å; L563-Y567 PolarHBondContact O-N 3.21Å; N564-Y567 PolarHBondContact O-N 3.17Å; S565-Y567 VanDerWaalsContact C-N 3.35Å; S565-Y567 PolarHBondContact O-N 3.3Å; Y567-F571 AromaticContact CD1-CD2 3.9Å; Y567-F571 HydrophobicContact CD1-CD2 3.9Å; Y567-F571 HydrophobicContact CD1-CE2 4.12Å; Y567-F571 HydrophobicContact CD2-CE2 4.46Å; Y567-F571 AromaticContact CE1-CD2 3.71Å; Y567-F571 HydrophobicContact CE1-CD2 3.71Å; Y567-F571 AromaticContact CE1-CE2 3.52Å; Y567-F571 HydrophobicContact CE1-CE2 3.52Å; Y567-F571 HydrophobicContact CE1-CZ 4.39Å; Y567-F571 AromaticContact CE2-CE2 3.93Å; Y567-F571 HydrophobicContact CE2-CE2 3.93Å; Y567-F571 HydrophobicContact CG-CD2 4.39Å; Y567-F571 AromaticContact CZ-CE2 3.42Å; Y567-F571 VanDerWaalsContact CZ-CE2 3.42Å; Y567-F571 WeakPolarHBondContact O-CB 3.33Å; Y567-F571 WeakPolarHBondContact O-CD2 3.43Å; Y567-F571 PolarHBondContact O-N 2.99Å; Y567-F571 VanDerWaalsContact O-N 3.07Å; Y567-T584 HydrophobicContact CD1-CG2 4.45Å; Y567-T584 HydrophobicContact CE1-CG2 4.05Å; Y567-L589 HydrophobicContact CD2-CD1 4.49Å; Y567-L589 HydrophobicContact CE2-CB 4.23Å; Y567-R602 PolarHBondContact OH-NH2 3.16Å
568L89.3Confident91Very high86 Ų8691.5 Ų91.545%0.4544%0.444SS..Hα-helixtrans-64.8-39.5176-66.2179.5000112.1N564 S565 F571 S572 T584N564-L568 WeakPolarHBondContact O-CG 3.3Å; N564-L568 PolarHBondContact O-N 2.99Å; S565-L568 PolarHBondContact O-N 3.33Å; L568-F571 PolarHBondContact O-N 2.85Å; L568-S572 WeakPolarHBondContact O-CB 3.36Å; L568-S572 PolarHBondContact O-N 3.13Å; L568-T584 HydrophobicContact CD2-CG2 3.98Å
569E91.4Very high90.1Very high107 Ų10790.2 Ų90.250%0.545%0.452SS..Hα-helixtrans-60.8-51.9176.3-176.4175.6-170.800111.7S565 L566 F571 S572 M573S565-E569 WeakPolarHBondContact O-CB 3.41Å; S565-E569 PolarHBondContact O-N 2.97Å; L566-E569 PolarHBondContact O-N 3.26Å; E569-F571 VanDerWaalsContact C-N 3.34Å; E569-F571 PolarHBondContact O-N 3.2Å; E569-S572 WeakPolarHBondContact O-CA 3.37Å; E569-S572 WeakPolarHBondContact O-CB 3.49Å; E569-S572 PolarHBondContact O-N 3.39Å; E569-S572 PolarHBondContact O-OG 3.45Å; E569-M573 WeakPolarHBondContact O-CG 3.47Å; E569-M573 PolarHBondContact O-N 3.28Å; E569-M573 VanDerWaalsContact O-N 3.09Å
570V91Very high89.3Confident51 Ų5189.4 Ų89.431%0.30945%0.45SS..Hα-helixtrans-59.6-44.7177.3174.10000110.8L566 S572 M573 L574 L589L566-V570 HydrophobicContact CD1-CG2 4.34Å; L566-V570 WeakPolarHBondContact O-CG2 3.26Å; L566-V570 PolarHBondContact O-N 2.94Å; V570-S572 VanDerWaalsContact C-N 3.28Å; V570-S572 PolarHBondContact O-N 2.97Å; V570-M573 PolarHBondContact O-N 3.41Å; V570-L574 HydrophobicContact CG1-CD1 4.07Å; V570-L574 HydrophobicContact CG1-CG 4.31Å; V570-L574 WeakPolarHBondContact O-CG 3.4Å; V570-L574 PolarHBondContact O-N 2.97Å; V570-L589 HydrophobicContact CB-CD1 4.21Å; V570-L589 HydrophobicContact CG1-CD1 3.68Å
571F89.4Confident88.6Confident5 Ų588.4 Ų88.42%0.02246%0.455CS..Hα-helixtrans-60.3-36.1173.5-95.3-90.1000113.1Y567 L568 E569 M573 L574 T584 Y587 L589 L599Y567-F571 AromaticContact CD1-CD2 3.9Å; Y567-F571 HydrophobicContact CD1-CD2 3.9Å; Y567-F571 HydrophobicContact CD1-CE2 4.12Å; Y567-F571 HydrophobicContact CD2-CE2 4.46Å; Y567-F571 AromaticContact CE1-CD2 3.71Å; Y567-F571 HydrophobicContact CE1-CD2 3.71Å; Y567-F571 AromaticContact CE1-CE2 3.52Å; Y567-F571 HydrophobicContact CE1-CE2 3.52Å; Y567-F571 HydrophobicContact CE1-CZ 4.39Å; Y567-F571 AromaticContact CE2-CE2 3.93Å; Y567-F571 HydrophobicContact CE2-CE2 3.93Å; Y567-F571 HydrophobicContact CG-CD2 4.39Å; Y567-F571 AromaticContact CZ-CE2 3.42Å; Y567-F571 VanDerWaalsContact CZ-CE2 3.42Å; Y567-F571 WeakPolarHBondContact O-CB 3.33Å; Y567-F571 WeakPolarHBondContact O-CD2 3.43Å; Y567-F571 PolarHBondContact O-N 2.99Å; Y567-F571 VanDerWaalsContact O-N 3.07Å; L568-F571 PolarHBondContact O-N 2.85Å; E569-F571 VanDerWaalsContact C-N 3.34Å; E569-F571 PolarHBondContact O-N 3.2Å; F571-M573 PolarHBondContact O-N 3.3Å; F571-L574 PolarHBondContact O-N 2.97Å; F571-T584 HydrophobicContact CB-CG2 3.66Å; F571-T584 HydrophobicContact CD1-CG2 3.61Å; F571-T584 HydrophobicContact CD2-CG2 3.83Å; F571-T584 HydrophobicContact CE1-CG2 4.16Å; F571-T584 HydrophobicContact CE2-CG2 4.35Å; F571-T584 HydrophobicContact CG-CG2 3.41Å; F571-T584 VanDerWaalsContact CG-CG2 3.41Å; F571-Y587 WeakPolarHBondContact CZ-O 3.43Å; F571-L589 HydrophobicContact CD2-CD1 3.8Å; F571-L589 HydrophobicContact CD2-CG 4.23Å; F571-L589 HydrophobicContact CE2-CB 4.35Å; F571-L589 HydrophobicContact CE2-CD1 3.64Å; F571-L589 HydrophobicContact CE2-CG 3.57Å; F571-L589 HydrophobicContact CZ-CG 4.17Å; F571-L599 HydrophobicContact CE1-CD1 3.89Å; F571-L599 HydrophobicContact CZ-CD1 3.73Å
572S86.5Confident88Confident69 Ų6984 Ų8448%0.48344%0.439SS..Hα-helixtrans-67.9-21.5175.486.30000113.5L568 E569 V570 R575L568-S572 WeakPolarHBondContact O-CB 3.36Å; L568-S572 PolarHBondContact O-N 3.13Å; E569-S572 WeakPolarHBondContact O-CA 3.37Å; E569-S572 WeakPolarHBondContact O-CB 3.49Å; E569-S572 PolarHBondContact O-N 3.39Å; E569-S572 PolarHBondContact O-OG 3.45Å; V570-S572 VanDerWaalsContact C-N 3.28Å; V570-S572 PolarHBondContact O-N 2.97Å; S572-R575 VanDerWaalsContact O-CZ 3.25Å; S572-R575 PolarHBondContact O-NH1 3.17Å; S572-R575 PolarHBondContact O-NH2 3.14Å
573M87.9Confident87.3Confident134 Ų13480.9 Ų80.966%0.6643%0.429SS*.Hα-helixtrans-89.7-32.5175.8-64.8178.974.900113.4E569 V570 F571 R575E569-M573 WeakPolarHBondContact O-CG 3.47Å; E569-M573 PolarHBondContact O-N 3.28Å; E569-M573 VanDerWaalsContact O-N 3.09Å; V570-M573 PolarHBondContact O-N 3.41Å; F571-M573 PolarHBondContact O-N 3.3Å; M573-R575 PolarHBondContact O-NH1 3.22Å
574L88.5Confident86.7Confident55 Ų5579.5 Ų79.529%0.28842%0.424SS..  trans-67134.4-177.2-69.5170.2000112.5V570 F571 Y582 L589 L599V570-L574 HydrophobicContact CG1-CD1 4.07Å; V570-L574 HydrophobicContact CG1-CG 4.31Å; V570-L574 WeakPolarHBondContact O-CG 3.4Å; V570-L574 PolarHBondContact O-N 2.97Å; F571-L574 PolarHBondContact O-N 2.97Å; L574-Y582 HydrophobicContact CB-CD2 3.79Å; L574-Y582 PolarHBondContact O-N 2.93Å; L574-L589 HydrophobicContact CD1-CD2 4.04Å; L574-L599 HydrophobicContact CD1-CD1 4.26Å
575R87Confident86.2Confident116 Ų11680.4 Ų80.444%0.43844%0.435SS..BIsolated β-bridgetrans-130.8145.7-179.9-63.9-68174.8-79.3-4.5111.5S572 M573 G579 N580 S581 Y582S572-R575 VanDerWaalsContact O-CZ 3.25Å; S572-R575 PolarHBondContact O-NH1 3.17Å; S572-R575 PolarHBondContact O-NH2 3.14Å; M573-R575 PolarHBondContact O-NH1 3.22Å; R575-G579 WeakPolarHBondContact CD-O 3.48Å; R575-N580 CarbonylContact C-O 3.53Å; R575-N580 VanDerWaalsContact CA-O 3.25Å; R575-N580 WeakPolarHBondContact CA-O 3.32Å; R575-S581 VanDerWaalsContact CZ-OG 3.22Å; R575-S581 PolarHBondContact NE-OG 2.91Å; R575-S581 PolarHBondContact NH1-OG 2.7Å; R575-Y582 VanDerWaalsContact O-CE2 3.3Å; R575-Y582 WeakPolarHBondContact O-CE2 3.38Å
576D83.3Confident85.6Confident41 Ų4179.4 Ų79.422%0.21942%0.424CS..  trans-76.8171.3170.382.7-12.5000112K578 G579 N580 Y582D576-K578 PolarHBondContact O-N 3.45Å; D576-K578 VanDerWaalsContact OD1-C 3.27Å; D576-K578 VanDerWaalsContact OD1-CA 3.32Å; D576-K578 WeakPolarHBondContact OD1-CA 3.49Å; D576-K578 WeakPolarHBondContact OD1-CB 3.5Å; D576-K578 PolarHBondContact OD1-N 2.92Å; D576-G579 PolarHBondContact O-N 2.91Å; D576-G579 PolarHBondContact OD1-N 3.24Å; D576-N580 PolarHBondContact N-O 3.47Å; D576-N580 WeakPolarHBondContact OD1-CB 3.4Å; D576-N580 PolarHBondContact OD1-N 3.33Å; D576-N580 PolarHBondContact OD1-ND2 2.81Å; D576-N580 VanDerWaalsContact OD1-ND2 3.12Å; D576-N580 PolarHBondContact OD2-ND2 3.4Å; D576-Y582 HydrophobicContact CB-CE1 4.36Å; D576-Y582 HydrophobicContact CB-CE2 4.26Å
577E83.4Confident85.3Confident198 Ų19878.7 Ų78.793%0.92542%0.416SS*.THydrogen-bonded Turntrans-57.3-4.5175.7-62.4-65.5132.600114.6
578K79.7Confident85.3Confident175 Ų17578.2 Ų78.276%0.76142%0.416SS*.THydrogen-bonded Turntrans-117.81.6-178.9-55.9166.2-173165.50112.1D576 N580D576-K578 PolarHBondContact O-N 3.45Å; D576-K578 VanDerWaalsContact OD1-C 3.27Å; D576-K578 VanDerWaalsContact OD1-CA 3.32Å; D576-K578 WeakPolarHBondContact OD1-CA 3.49Å; D576-K578 WeakPolarHBondContact OD1-CB 3.5Å; D576-K578 PolarHBondContact OD1-N 2.92Å; K578-N580 WeakPolarHBondContact CB-ND2 3.31Å
579G79.9Confident85.3Confident52 Ų5276.2 Ų76.254%0.53641%0.405SS..SBendtrans85.310179.600000115.8R575 D576R575-G579 WeakPolarHBondContact CD-O 3.48Å; D576-G579 PolarHBondContact O-N 2.91Å; D576-G579 PolarHBondContact OD1-N 3.24Å
580N81.3Confident85.1Confident91 Ų9176.2 Ų76.249%0.48741%0.405SS..PPolyproline II helixtrans-82.5145.1175.9-51.5-70.2000111.1R575 D576 K578R575-N580 CarbonylContact C-O 3.53Å; R575-N580 VanDerWaalsContact CA-O 3.25Å; R575-N580 WeakPolarHBondContact CA-O 3.32Å; D576-N580 PolarHBondContact N-O 3.47Å; D576-N580 WeakPolarHBondContact OD1-CB 3.4Å; D576-N580 PolarHBondContact OD1-N 3.33Å; D576-N580 PolarHBondContact OD1-ND2 2.81Å; D576-N580 VanDerWaalsContact OD1-ND2 3.12Å; D576-N580 PolarHBondContact OD2-ND2 3.4Å; K578-N580 WeakPolarHBondContact CB-ND2 3.31Å
581S83Confident84.9Confident75 Ų7580.9 Ų80.952%0.52442%0.424SS..BIsolated β-bridgetrans-73.6141.3173.2-50.20000112R575R575-S581 VanDerWaalsContact CZ-OG 3.22Å; R575-S581 PolarHBondContact NE-OG 2.91Å; R575-S581 PolarHBondContact NH1-OG 2.7Å
582Y83.6Confident85Confident67 Ų6782.7 Ų82.726%0.26344%0.437SS..PPolyproline II helixtrans-76.3139.5172.6-72.7-80.8000112L574 R575 D576 Y587 L599L574-Y582 HydrophobicContact CB-CD2 3.79Å; L574-Y582 PolarHBondContact O-N 2.93Å; R575-Y582 VanDerWaalsContact O-CE2 3.3Å; R575-Y582 WeakPolarHBondContact O-CE2 3.38Å; D576-Y582 HydrophobicContact CB-CE1 4.36Å; D576-Y582 HydrophobicContact CB-CE2 4.26Å; Y582-Y587 HydrophobicContact CD1-CD1 4.37Å; Y582-Y587 AromaticContact CD1-CD2 3.83Å; Y582-Y587 HydrophobicContact CD1-CD2 3.83Å; Y582-Y587 HydrophobicContact CD1-CE1 4.23Å; Y582-Y587 AromaticContact CD1-CE2 3.72Å; Y582-Y587 HydrophobicContact CD1-CE2 3.72Å; Y582-Y587 HydrophobicContact CD1-CG 4.19Å; Y582-Y587 AromaticContact CD1-CZ 3.92Å; Y582-Y587 HydrophobicContact CE1-CE1 4.18Å; Y582-Y587 HydrophobicContact CE1-CE2 4.29Å; Y582-L599 HydrophobicContact CD1-CD2 3.67Å; Y582-L599 HydrophobicContact CD2-CD2 3.79Å; Y582-L599 HydrophobicContact CE1-CD2 3.77Å; Y582-L599 HydrophobicContact CE2-CD2 3.83Å; Y582-L599 HydrophobicContact CG-CD2 3.68Å
583S82.8Confident85Confident43 Ų4386.5 Ų86.530%0.30146%0.458SS..PPolyproline II helixtrans-89.1130.3178.6164.50000111.7S585 D586 Y587S583-S585 PolarHBondContact O-N 2.88Å; S583-S585 PolarHBondContact OG-N 3.48Å; S583-D586 WeakPolarHBondContact CB-OD2 3.39Å; S583-D586 PolarHBondContact O-N 3.06Å; S583-D586 VanDerWaalsContact O-N 3.09Å; S583-D586 PolarHBondContact OG-OD2 3.14Å; S583-Y587 PolarHBondContact O-N 2.95Å
584T81.3Confident85Confident48 Ų4885.3 Ų85.329%0.29445%0.454SS..THydrogen-bonded Turntrans-63.8-18.3174.151.80000113.6Y567 L568 F571 Y587 R602Y567-T584 HydrophobicContact CD1-CG2 4.45Å; Y567-T584 HydrophobicContact CE1-CG2 4.05Å; L568-T584 HydrophobicContact CD2-CG2 3.98Å; F571-T584 HydrophobicContact CB-CG2 3.66Å; F571-T584 HydrophobicContact CD1-CG2 3.61Å; F571-T584 HydrophobicContact CD2-CG2 3.83Å; F571-T584 HydrophobicContact CE1-CG2 4.16Å; F571-T584 HydrophobicContact CE2-CG2 4.35Å; F571-T584 HydrophobicContact CG-CG2 3.41Å; F571-T584 VanDerWaalsContact CG-CG2 3.41Å; T584-Y587 CarbonylContact C-O 3.51Å; T584-Y587 VanDerWaalsContact O-O 3.08Å; T584-R602 PolarHBondContact O-NE 3.04Å
585S81.6Confident84.9Confident81 Ų8184.4 Ų84.457%0.56646%0.458SS*.THydrogen-bonded Turntrans-83.9-23.6175.2-59.40000112.8S583 R602S583-S585 PolarHBondContact O-N 2.88Å; S583-S585 PolarHBondContact OG-N 3.48Å; S585-R602 WeakPolarHBondContact O-CD 3.19Å
586D84.3Confident84.9Confident53 Ų5381.6 Ų81.628%0.28345%0.454SS..THydrogen-bonded Turntrans-104.4-20.1-174.6-63.4-53.5000112.8S583 P601 R602 K604S583-D586 WeakPolarHBondContact CB-OD2 3.39Å; S583-D586 PolarHBondContact O-N 3.06Å; S583-D586 VanDerWaalsContact O-N 3.09Å; S583-D586 PolarHBondContact OG-OD2 3.14Å; D586-P601 CarbonylContact O-C 3.59Å; D586-P601 WeakPolarHBondContact O-CA 3.32Å; D586-R602 PolarHBondContact O-N 3.38Å; D586-K604 WeakPolarHBondContact OD1-CE 3.5Å; D586-K604 IonicContact OD1-NZ 2.57Å; D586-K604 PolarHBondContact OD1-NZ 3.4Å
587Y86.1Confident85.1Confident79 Ų7983.8 Ų83.831%0.3147%0.469SS..EExtended strand (participates in β ladder)trans-138160.2179.9-57.7-99.7000111.1F571 Y582 S583 T584 L599 V600 P601 R602F571-Y587 WeakPolarHBondContact CZ-O 3.43Å; Y582-Y587 HydrophobicContact CD1-CD1 4.37Å; Y582-Y587 AromaticContact CD1-CD2 3.83Å; Y582-Y587 HydrophobicContact CD1-CD2 3.83Å; Y582-Y587 HydrophobicContact CD1-CE1 4.23Å; Y582-Y587 AromaticContact CD1-CE2 3.72Å; Y582-Y587 HydrophobicContact CD1-CE2 3.72Å; Y582-Y587 HydrophobicContact CD1-CG 4.19Å; Y582-Y587 AromaticContact CD1-CZ 3.92Å; Y582-Y587 HydrophobicContact CE1-CE1 4.18Å; Y582-Y587 HydrophobicContact CE1-CE2 4.29Å; S583-Y587 PolarHBondContact O-N 2.95Å; T584-Y587 CarbonylContact C-O 3.51Å; T584-Y587 VanDerWaalsContact O-O 3.08Å; Y587-L599 HydrophobicContact CD1-CD2 4.26Å; Y587-L599 HydrophobicContact CD1-CG 4.07Å; Y587-L599 HydrophobicContact CG-CD1 4.44Å; Y587-L599 HydrophobicContact CG-CD2 4.46Å; Y587-L599 HydrophobicContact CG-CG 4.31Å; Y587-V600 CarbonylContact C-O 3.6Å; Y587-V600 WeakPolarHBondContact CA-O 3.48Å; Y587-P601 HydrophobicContact CD1-CB 4.19Å; Y587-P601 HydrophobicContact CD1-CG 4.05Å; Y587-P601 HydrophobicContact CE1-CB 4.21Å; Y587-P601 HydrophobicContact CE1-CG 3.91Å; Y587-R602 WeakPolarHBondContact O-CD 3.09Å; Y587-R602 PolarHBondContact O-NE 3.29Å
588S89.8Confident85.3Confident17 Ų1780 Ų8012%0.11945%0.449CS..EExtended strand (participates in β ladder)trans-136.7134.8175.550.70000109.8V600S588-V600 PolarHBondContact N-O 2.88Å; S588-V600 PolarHBondContact O-N 2.9Å; S588-V600 PolarHBondContact OG-O 3.17Å
589L89.3Confident85.8Confident43 Ų4374.2 Ų74.223%0.22543%0.427CS..EExtended strand (participates in β ladder)trans-73.2131.7165.4-65.9164.1000109Y567 V570 F571 L574 V597 F598 L599Y567-L589 HydrophobicContact CD2-CD1 4.49Å; Y567-L589 HydrophobicContact CE2-CB 4.23Å; V570-L589 HydrophobicContact CB-CD1 4.21Å; V570-L589 HydrophobicContact CG1-CD1 3.68Å; F571-L589 HydrophobicContact CD2-CD1 3.8Å; F571-L589 HydrophobicContact CD2-CG 4.23Å; F571-L589 HydrophobicContact CE2-CB 4.35Å; F571-L589 HydrophobicContact CE2-CD1 3.64Å; F571-L589 HydrophobicContact CE2-CG 3.57Å; F571-L589 HydrophobicContact CZ-CG 4.17Å; L574-L589 HydrophobicContact CD1-CD2 4.04Å; L589-V597 HydrophobicContact CB-CG1 3.97Å; L589-V597 HydrophobicContact CD2-CG1 3.79Å; L589-V597 HydrophobicContact CG-CG1 4.37Å; L589-F598 WeakPolarHBondContact CA-O 3.31Å; L589-L599 HydrophobicContact CD2-CB 4.42Å; L589-L599 HydrophobicContact CD2-CD1 3.92Å; L589-L599 HydrophobicContact CG-CD1 4.31Å
590Q87.6Confident86.2Confident107 Ų10774 Ų7450%0.541%0.414SS..EExtended strand (participates in β ladder)trans-123.3136.7173.1-66.2-174.1-2.800108.9V597 F598 V600Q590-V597 CarbonylContact O-C 3.51Å; Q590-V597 WeakPolarHBondContact O-CA 3.37Å; Q590-F598 PolarHBondContact N-O 3.46Å; Q590-F598 PolarHBondContact O-N 3.43Å; Q590-V600 HydrophobicContact CB-CG2 4.19Å; Q590-V600 HydrophobicContact CG-CB 4.31Å; Q590-V600 HydrophobicContact CG-CG2 4Å
591Q87.4Confident86.4Confident149 Ų14973.6 Ų73.670%0.69642%0.417SS*.EExtended strand (participates in β ladder)trans-98.6135.2175.2-167174.122.900109.9G595 T596 V597Q591-G595 PolarHBondContact NE2-O 3.31Å; Q591-T596 CarbonylContact C-O 3.49Å; Q591-T596 WeakPolarHBondContact CA-O 3.37Å; Q591-V597 HydrophobicContact CG-CG2 4.26Å
592S90.3Very high86.4Confident43 Ų4373.4 Ų73.430%0.30141%0.405SS..  trans-88.4164.5174.2163.60000110.9D594 G595 T596S592-D594 WeakPolarHBondContact CB-OD1 3.47Å; S592-D594 PolarHBondContact O-N 2.89Å; S592-D594 PolarHBondContact OG-OD1 3.36Å; S592-G595 WeakPolarHBondContact O-CA 3.5Å; S592-G595 PolarHBondContact O-N 2.98Å; S592-T596 PolarHBondContact N-O 3.41Å
593T87.4Confident86.1Confident150 Ų15077 Ų7792%0.9243%0.433SS*.THydrogen-bonded Turntrans-67.4-15.3-179.450.60000114G595T593-G595 VanDerWaalsContact C-N 3.28Å
594D87.4Confident85.2Confident108 Ų10881.5 Ų81.558%0.57845%0.447SS*.THydrogen-bonded Turntrans-86.65.4168.768.2-12.2000113.2S592 T596S592-D594 WeakPolarHBondContact CB-OD1 3.47Å; S592-D594 PolarHBondContact O-N 2.89Å; S592-D594 PolarHBondContact OG-OD1 3.36Å; D594-T596 VanDerWaalsContact C-N 3.26Å; D594-T596 PolarHBondContact O-N 2.82Å; D594-T596 WeakPolarHBondContact OD1-CB 3.26Å; D594-T596 PolarHBondContact OD1-N 3.29Å; D594-T596 VanDerWaalsContact OD1-N 3.07Å; D594-T596 PolarHBondContact OD1-OG1 2.87Å; D594-T596 WeakPolarHBondContact OD2-CG2 3.19Å; D594-T596 PolarHBondContact OD2-OG1 2.87Å
595G85.8Confident84Confident37 Ų3788.5 Ų88.538%0.38147%0.474SS..SBendtrans80.3-5.5-178.500000114.9Q591 S592 T593Q591-G595 PolarHBondContact NE2-O 3.31Å; S592-G595 WeakPolarHBondContact O-CA 3.5Å; S592-G595 PolarHBondContact O-N 2.98Å; T593-G595 VanDerWaalsContact C-N 3.28Å
596T87.6Confident82.5Confident56 Ų5690.7 Ų90.734%0.34448%0.484SS..  trans-69.9146.9179.662.20000111.7Q591 S592 D594 F598Q591-T596 CarbonylContact C-O 3.49Å; Q591-T596 WeakPolarHBondContact CA-O 3.37Å; S592-T596 PolarHBondContact N-O 3.41Å; D594-T596 VanDerWaalsContact C-N 3.26Å; D594-T596 PolarHBondContact O-N 2.82Å; D594-T596 WeakPolarHBondContact OD1-CB 3.26Å; D594-T596 PolarHBondContact OD1-N 3.29Å; D594-T596 VanDerWaalsContact OD1-N 3.07Å; D594-T596 PolarHBondContact OD1-OG1 2.87Å; D594-T596 WeakPolarHBondContact OD2-CG2 3.19Å; D594-T596 PolarHBondContact OD2-OG1 2.87Å; T596-F598 WeakPolarHBondContact OG1-CE2 3.29Å; T596-F598 WeakPolarHBondContact OG1-CZ 3.48Å
597V87.5Confident80.7Confident87 Ų8797.8 Ų97.853%0.52751%0.513SS..EExtended strand (participates in β ladder)trans-115.8123.6-174.1-175.90000110.8L589 Q590 Q591L589-V597 HydrophobicContact CB-CG1 3.97Å; L589-V597 HydrophobicContact CD2-CG1 3.79Å; L589-V597 HydrophobicContact CG-CG1 4.37Å; Q590-V597 CarbonylContact O-C 3.51Å; Q590-V597 WeakPolarHBondContact O-CA 3.37Å; Q591-V597 HydrophobicContact CG-CG2 4.26Å
598F88.1Confident78.6Confident118 Ų118105.9 Ų105.952%0.51854%0.543SS..EExtended strand (participates in β ladder)trans-112.1142.7-179-61.7-81.2000111.6L589 Q590 T596 V600L589-F598 WeakPolarHBondContact CA-O 3.31Å; Q590-F598 PolarHBondContact N-O 3.46Å; Q590-F598 PolarHBondContact O-N 3.43Å; T596-F598 WeakPolarHBondContact OG1-CE2 3.29Å; T596-F598 WeakPolarHBondContact OG1-CZ 3.48Å; F598-V600 HydrophobicContact CB-CG2 4.28Å
599L89.6Confident76.4Confident55 Ų55116.4 Ų116.429%0.28858%0.58SS.*EExtended strand (participates in β ladder)trans-91.5106.7172.7-172.669.2000110F571 L574 Y582 Y587 L589F571-L599 HydrophobicContact CE1-CD1 3.89Å; F571-L599 HydrophobicContact CZ-CD1 3.73Å; L574-L599 HydrophobicContact CD1-CD1 4.26Å; Y582-L599 HydrophobicContact CD1-CD2 3.67Å; Y582-L599 HydrophobicContact CD2-CD2 3.79Å; Y582-L599 HydrophobicContact CE1-CD2 3.77Å; Y582-L599 HydrophobicContact CE2-CD2 3.83Å; Y582-L599 HydrophobicContact CG-CD2 3.68Å; Y587-L599 HydrophobicContact CD1-CD2 4.26Å; Y587-L599 HydrophobicContact CD1-CG 4.07Å; Y587-L599 HydrophobicContact CG-CD1 4.44Å; Y587-L599 HydrophobicContact CG-CD2 4.46Å; Y587-L599 HydrophobicContact CG-CG 4.31Å; L589-L599 HydrophobicContact CD2-CB 4.42Å; L589-L599 HydrophobicContact CD2-CD1 3.92Å; L589-L599 HydrophobicContact CG-CD1 4.31Å
600V88.8Confident74Confident46 Ų46117.1 Ų117.128%0.27960%0.597SS.*EExtended strand (participates in β ladder)trans-108129.7-173.4-177.40000110.5Y587 S588 Q590 F598Y587-V600 CarbonylContact C-O 3.6Å; Y587-V600 WeakPolarHBondContact CA-O 3.48Å; S588-V600 PolarHBondContact N-O 2.88Å; S588-V600 PolarHBondContact O-N 2.9Å; S588-V600 PolarHBondContact OG-O 3.17Å; Q590-V600 HydrophobicContact CB-CG2 4.19Å; Q590-V600 HydrophobicContact CG-CB 4.31Å; Q590-V600 HydrophobicContact CG-CG2 4Å; F598-V600 HydrophobicContact CB-CG2 4.28Å
601P86.3Confident71.9Confident83 Ų83120.3 Ų120.354%0.53961%0.612SS.*EExtended strand (participates in β ladder)trans-63.9135.7177-21.332.3000113.3D586 Y587D586-P601 CarbonylContact O-C 3.59Å; D586-P601 WeakPolarHBondContact O-CA 3.32Å; Y587-P601 HydrophobicContact CD1-CB 4.19Å; Y587-P601 HydrophobicContact CD1-CG 4.05Å; Y587-P601 HydrophobicContact CE1-CB 4.21Å; Y587-P601 HydrophobicContact CE1-CG 3.91Å
602R81.8Confident69.6Low72 Ų72120.4 Ų120.427%0.27262%0.618SS.*  trans-81.4115.3173.4-70175.6-179.9-97.25.9109.9Y567 T584 S585 D586 Y587 K604Y567-R602 PolarHBondContact OH-NH2 3.16Å; T584-R602 PolarHBondContact O-NE 3.04Å; S585-R602 WeakPolarHBondContact O-CD 3.19Å; D586-R602 PolarHBondContact O-N 3.38Å; Y587-R602 WeakPolarHBondContact O-CD 3.09Å; Y587-R602 PolarHBondContact O-NE 3.29Å; R602-K604 PolarHBondContact O-N 2.82Å; R602-K604 VanDerWaalsContact O-N 3.07Å
603V77.3Confident67.5Low142 Ų142126.6 Ų126.686%0.86164%0.641SS**  trans-70.8102.5178-73.80000112K605V603-K605 PolarHBondContact O-N 3.2Å; V603-K605 VanDerWaalsContact O-N 3.16Å
604K64.8Low65.3Low137 Ų137127.2 Ų127.260%0.59664%0.638SS**  trans-66109.3174.7-73.5176.3167.3171.40110.8D586 R602 T606D586-K604 WeakPolarHBondContact OD1-CE 3.5Å; D586-K604 IonicContact OD1-NZ 2.57Å; D586-K604 PolarHBondContact OD1-NZ 3.4Å; R602-K604 PolarHBondContact O-N 2.82Å; R602-K604 VanDerWaalsContact O-N 3.07Å; K604-T606 PolarHBondContact O-N 2.87Å
605K55.8Low62.7Low196 Ų196127.4 Ų127.485%0.85265%0.648SS**  trans-66.192170.9-73-176.2177.9178.30110.3V603 F607V603-K605 PolarHBondContact O-N 3.2Å; V603-K605 VanDerWaalsContact O-N 3.16Å; K605-F607 PolarHBondContact O-N 2.84Å
606T49.7Very low61.4Low126 Ų126131.5 Ų131.577%0.77367%0.668SS**  trans-78.596177.342.70000111.3K604 R608K604-T606 PolarHBondContact O-N 2.87Å; T606-R608 PolarHBondContact O-N 3.5Å
607F47.5Very low58.9Low203 Ų203140.7 Ų140.789%0.8971%0.714SS**  trans-60.5108.7165-80.3-87.8000109.6K605 R609K605-F607 PolarHBondContact O-N 2.84Å; F607-R609 PolarHBondContact O-N 2.89Å
608R40.3Very low57.5Low248 Ų248143.4 Ų143.494%0.93672%0.723SS**  trans-64104168.9-80.3-165.1-179.1-153.84.9109.2T606 G610T606-R608 PolarHBondContact O-N 3.5Å; R608-G610 PolarHBondContact O-N 2.87Å
609R43.9Very low55.9Low238 Ų238144.7 Ų144.790%0.89873%0.734SS**  trans-66.3114.5159.4-179.9175.3-71.6-160.3-2.1107.5F607F607-R609 PolarHBondContact O-N 2.89Å
610G38.4Very low54Low58 Ų58149.7 Ų149.760%0.59876%0.759SS**  trans-68.9131.7179.900000112.2R608 N612R608-G610 PolarHBondContact O-N 2.87Å; G610-N612 PolarHBondContact O-N 2.62Å
611E45.3Very low51.9Low174 Ų174155.8 Ų155.881%0.81379%0.787SS**  trans-80.790174.3-67.2177.2128.500110.3H613E611-H613 VanDerWaalsContact C-N 3.31Å; E611-H613 PolarHBondContact O-N 2.84Å
612N38.5Very low49.8Very low151 Ų151160.4 Ų160.481%0.80780%0.803SS**  trans-7880172.7-77.5-9.4000110.9G610 L614G610-N612 PolarHBondContact O-N 2.62Å; N612-L614 PolarHBondContact O-N 3.2Å; N612-L614 VanDerWaalsContact O-N 3.09Å
613H45Very low47.7Very low173 Ų173166.3 Ų166.380%0.80184%0.838SS**  trans-69.396.9162.9-85.7-71000110.3E611E611-H613 VanDerWaalsContact C-N 3.31Å; E611-H613 PolarHBondContact O-N 2.84Å
614L41.3Very low45.5Very low163 Ų163168 Ų16885%0.85384%0.836SS**  trans-95.1111.1165.2-82.9166.5000109.9N612N612-L614 PolarHBondContact O-N 3.2Å; N612-L614 VanDerWaalsContact O-N 3.09Å
615S33.6Very low44.1Very low112 Ų112170.4 Ų170.478%0.78386%0.855SS**  trans-71.7139.7165.7-610000110
616P57.6Low43.1Very low124 Ų124168.3 Ų168.381%0.80586%0.855SS**  trans-85.2132-179.932.8-33.4000112.4
617L35.8Very low42.5Very low249 Ų249172.1 Ų172.1100%1.30486%0.863SS**  trans-163.60150.9-112.1167.2000110.3

Retrieved 617 of 617 residues in 624.3 ms (Link to these results)