A0A087XYT7_POEFO Loading...

EH-domain containing 3

AlphaFold DB , UniProt , Accession A0A087XYT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 535 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
1M36.3Very low35Very low242 Ų242177.3 Ų177.3100%1.19288%0.875SS**  0102.50-142.3-178.1-71.100106.2
2F31.6Very low35.3Very low205 Ų205179.1 Ų179.190%0.89988%0.875SS**  trans-68.6133.6179.2-88-97.5000109.5
3S29.5Very low35.9Very low110 Ų110177.8 Ų177.877%0.76986%0.862SS**  trans-123.3106.6157.8-179.90000107.4
4W35.9Very low36Very low234 Ų234177.6 Ų177.689%0.88686%0.859SS**  trans-99.3114.8173.6-145.573.6000104.8
5L35Very low36.9Very low153 Ų153173.3 Ų173.380%0.80185%0.85SS**  trans-146.192.5166.6-104.1143.6000106.6T7L5-T7 PolarHBondContact O-N 2.94Å
6G36.3Very low38.1Very low70 Ų70169.6 Ų169.672%0.72283%0.83SS**  trans-60.3123.416800000109.1
7T32.7Very low39.1Very low138 Ų138167.9 Ų167.985%0.84783%0.832SS**  trans-86.6112165.442.60000108L5L5-T7 PolarHBondContact O-N 2.94Å
8D33.2Very low40.4Very low158 Ų158160.7 Ų160.785%0.84580%0.795SS**  trans-42.1130.3174.2-101.5-39000114.3R10D8-R10 VanDerWaalsContact C-N 3.35Å; D8-R10 PolarHBondContact O-N 3.28Å
9D40.1Very low41.8Very low161 Ų161161.8 Ų161.886%0.86180%0.798SS**SBendtrans-61.182.9161.5-98.5-36.1000110.8
10R36.6Very low43.7Very low236 Ų236156.3 Ų156.389%0.89177%0.774SS**  trans-171.347.6164.6-106.3160.4-153.3-164.37.9114.2D8 K12D8-R10 VanDerWaalsContact C-N 3.35Å; D8-R10 PolarHBondContact O-N 3.28Å; R10-K12 PolarHBondContact O-N 3.12Å
11R37.8Very low45.5Very low243 Ų243148.9 Ų148.992%0.91774%0.737SS**  trans-76.9102.8155.9-82.4-175.6178.5174-0107.7K13R11-K13 PolarHBondContact O-N 3.3Å
12K38.9Very low47.9Very low199 Ų199138.6 Ų138.687%0.86569%0.689SS**  trans-45.7112.8157.2-77.9177.9174.21790106.3R10 E14R10-K12 PolarHBondContact O-N 3.12Å; K12-E14 PolarHBondContact O-N 3.2Å
13K43.3Very low50.6Low163 Ų163132 Ų13271%0.70966%0.663SS**  trans-55.3108.3170.9-78.7177.2177.6176.30106R11 D384R11-K13 PolarHBondContact O-N 3.3Å; K13-D384 IonicContact NZ-OD2 3.07Å; K13-D384 PolarHBondContact NZ-OD2 3.13Å
14E37.7Very low53.5Low175 Ų175126.8 Ų126.882%0.81863%0.626SS**PPolyproline II helixtrans-54.8138.3162.2-72.7-178160.400107K12 E16K12-E14 PolarHBondContact O-N 3.2Å; E14-E16 PolarHBondContact O-N 3.38Å
15P49.4Very low56.1Low113 Ų113115.8 Ų115.873%0.73459%0.585SS**PPolyproline II helixtrans-57.6120.4177.722.6-30.3000108V17P15-V17 PolarHBondContact O-N 3.42Å
16E56.2Low58.9Low114 Ų114109.7 Ų109.753%0.53355%0.552SS.*PPolyproline II helixtrans-58.5117.1175-72.1-167.8142.500108.2E14 F18 K27E14-E16 PolarHBondContact O-N 3.38Å; E16-F18 HydrophobicContact CB-CE2 4.32Å; E16-F18 HydrophobicContact CB-CZ 4.11Å; E16-F18 WeakPolarHBondContact O-CD2 3.5Å; E16-F18 WeakPolarHBondContact O-CE2 3.01Å; E16-F18 PolarHBondContact O-N 3.02Å; E16-K27 IonicContact OE1-NZ 3Å; E16-K27 PolarHBondContact OE1-NZ 2.87Å; E16-K27 IonicContact OE2-NZ 3.43Å; E16-K27 PolarHBondContact OE2-NZ 3.19Å
17V54Low61.7Low140 Ų140110.2 Ų110.285%0.84853%0.534SS*.  trans-79.3108-179.2-175.50000108P15P15-V17 PolarHBondContact O-N 3.42Å
18F63.4Low64.6Low38 Ų38103.9 Ų103.917%0.16750%0.495CS..  trans-84.1144.8173.5-58.8-75000110.8E16 K27 L393 L396E16-F18 HydrophobicContact CB-CE2 4.32Å; E16-F18 HydrophobicContact CB-CZ 4.11Å; E16-F18 WeakPolarHBondContact O-CD2 3.5Å; E16-F18 WeakPolarHBondContact O-CE2 3.01Å; E16-F18 PolarHBondContact O-N 3.02Å; F18-K27 HydrophobicContact CE1-CB 4.39Å; F18-K27 HydrophobicContact CE1-CD 3.81Å; F18-L393 HydrophobicContact CD2-CD2 4.13Å; F18-L393 HydrophobicContact CE2-CD2 4.39Å; F18-L396 HydrophobicContact CB-CD1 3.93Å; F18-L396 HydrophobicContact CD2-CD1 3.91Å; F18-L396 HydrophobicContact CG-CD1 4.4Å
19Q66.6Low67.6Low183 Ų18396.4 Ų96.486%0.85546%0.455SS*.SBendtrans-79.5-36.5175.9-70-173.1-8.500112.5
20T79.7Confident70.3Confident51 Ų5193 Ų9331%0.31343%0.433SS..SBendtrans-140.3159.9174.670.80000111.1S22 D23 G24 E400T20-S22 VanDerWaalsContact C-N 3.29Å; T20-S22 PolarHBondContact O-N 3.48Å; T20-D23 PolarHBondContact O-N 2.81Å; T20-D23 PolarHBondContact OG1-N 2.97Å; T20-D23 VanDerWaalsContact OG1-N 3.15Å; T20-D23 PolarHBondContact OG1-OD2 3.22Å; T20-G24 PolarHBondContact O-N 3.2Å; T20-G24 VanDerWaalsContact O-N 3.15Å; T20-E400 VanDerWaalsContact CA-OE1 3.24Å; T20-E400 WeakPolarHBondContact CA-OE1 3.3Å
21V82.6Confident73.2Confident1 Ų185.5 Ų85.51%0.00641%0.413CS..Hα-helixtrans-60.9-39172.7174.60000111.3D23 G24 L25 A290 L396 V397 E400V21-D23 PolarHBondContact O-N 3.07Å; V21-G24 PolarHBondContact O-N 2.77Å; V21-L25 HydrophobicContact CG1-CD1 3.9Å; V21-L25 HydrophobicContact CG1-CG 4.17Å; V21-L25 VanDerWaalsContact O-CG 3.32Å; V21-L25 WeakPolarHBondContact O-CG 3.15Å; V21-L25 PolarHBondContact O-N 3.21Å; V21-A290 HydrophobicContact CB-CB 4.11Å; V21-A290 HydrophobicContact CG1-CB 3.8Å; V21-A290 HydrophobicContact CG2-CB 4.49Å; V21-L396 HydrophobicContact CG2-CB 4.05Å; V21-V397 HydrophobicContact CB-CG2 4.45Å; V21-V397 HydrophobicContact CG1-CG2 3.82Å; V21-V397 HydrophobicContact CG2-CB 4.44Å; V21-V397 HydrophobicContact CG2-CG2 3.74Å; V21-E400 HydrophobicContact CG2-CG 4.27Å; V21-E400 WeakPolarHBondContact CG2-OE2 3.49Å; V21-E400 PolarHBondContact N-OE1 2.85Å
22S85Confident76Confident25 Ų2575.6 Ų75.618%0.17538%0.377CS..Hα-helixtrans-59.2-46.9178.1-170.80000111.7T20 G24 L25 K26 F55 D56T20-S22 VanDerWaalsContact C-N 3.29Å; T20-S22 PolarHBondContact O-N 3.48Å; S22-G24 VanDerWaalsContact C-N 3.32Å; S22-G24 PolarHBondContact O-N 3.29Å; S22-L25 PolarHBondContact O-N 3.28Å; S22-K26 WeakPolarHBondContact O-CB 3.39Å; S22-K26 PolarHBondContact O-N 2.87Å; S22-F55 PolarHBondContact OG-O 2.92Å; S22-F55 VanDerWaalsContact OG-O 3.07Å; S22-D56 PolarHBondContact OG-OD1 3.09Å
23D88.3Confident78.8Confident68 Ų6866.1 Ų66.136%0.36434%0.336SS..Hα-helixtrans-63.4-40.4178.5-65.9-44.1000111.9T20 V21 K26 K27T20-D23 PolarHBondContact O-N 2.81Å; T20-D23 PolarHBondContact OG1-N 2.97Å; T20-D23 VanDerWaalsContact OG1-N 3.15Å; T20-D23 PolarHBondContact OG1-OD2 3.22Å; V21-D23 PolarHBondContact O-N 3.07Å; D23-K26 PolarHBondContact O-N 3.2Å; D23-K27 WeakPolarHBondContact O-CB 3.21Å; D23-K27 PolarHBondContact O-N 3Å
24G90.3Very high81.4Confident0 Ų059.9 Ų59.90%031%0.31CS..Hα-helixtrans-61-49.217500000112.4T20 V21 S22 K26 K27 L28T20-G24 PolarHBondContact O-N 3.2Å; T20-G24 VanDerWaalsContact O-N 3.15Å; V21-G24 PolarHBondContact O-N 2.77Å; S22-G24 VanDerWaalsContact C-N 3.32Å; S22-G24 PolarHBondContact O-N 3.29Å; G24-K26 PolarHBondContact O-N 3.38Å; G24-K27 PolarHBondContact O-N 3.09Å; G24-L28 WeakPolarHBondContact O-CG 3.14Å; G24-L28 PolarHBondContact O-N 2.92Å
25L91.9Very high84.3Confident2 Ų253.4 Ų53.41%0.0128%0.283CS..Hα-helixtrans-59.7-46.7176.3-70.2172.9000111.8V21 S22 K27 L28 Y29 F55 K293 L294 L297 L393V21-L25 HydrophobicContact CG1-CD1 3.9Å; V21-L25 HydrophobicContact CG1-CG 4.17Å; V21-L25 VanDerWaalsContact O-CG 3.32Å; V21-L25 WeakPolarHBondContact O-CG 3.15Å; V21-L25 PolarHBondContact O-N 3.21Å; S22-L25 PolarHBondContact O-N 3.28Å; L25-K27 VanDerWaalsContact C-N 3.34Å; L25-K27 PolarHBondContact O-N 3.24Å; L25-L28 PolarHBondContact O-N 2.72Å; L25-Y29 WeakPolarHBondContact O-CB 3.3Å; L25-Y29 PolarHBondContact O-N 3.47Å; L25-F55 HydrophobicContact CB-CD1 3.86Å; L25-F55 HydrophobicContact CB-CE1 4.01Å; L25-K293 HydrophobicContact CD1-CB 3.74Å; L25-L294 HydrophobicContact CD2-CB 4.08Å; L25-L294 HydrophobicContact CD2-CD1 3.54Å; L25-L294 HydrophobicContact CD2-CG 4.43Å; L25-L297 HydrophobicContact CB-CD2 4.44Å; L25-L297 HydrophobicContact CD2-CD2 3.62Å; L25-L393 HydrophobicContact CD2-CD1 3.82Å; L25-L393 HydrophobicContact CG-CD1 4.31Å
26K93.1Very high86.6Confident25 Ų2548 Ų4811%0.10925%0.248CC..Hα-helixtrans-58.7-45.4177.9178.7-178.2-76.9178.10111.2S22 D23 G24 K30 D52 F55 D56S22-K26 WeakPolarHBondContact O-CB 3.39Å; S22-K26 PolarHBondContact O-N 2.87Å; D23-K26 PolarHBondContact O-N 3.2Å; G24-K26 PolarHBondContact O-N 3.38Å; K26-K30 HydrophobicContact CG-CD 4.24Å; K26-K30 WeakPolarHBondContact O-CG 3.49Å; K26-K30 PolarHBondContact O-N 2.83Å; K26-D52 WeakPolarHBondContact CE-OD1 3.37Å; K26-D52 WeakPolarHBondContact CE-OD2 3.43Å; K26-D52 IonicContact NZ-OD1 3.64Å; K26-D52 IonicContact NZ-OD2 2.83Å; K26-D52 PolarHBondContact NZ-OD2 3.4Å; K26-F55 HydrophobicContact CB-CD1 4.39Å; K26-F55 HydrophobicContact CB-CD2 4.19Å; K26-F55 HydrophobicContact CB-CG 4.1Å; K26-F55 HydrophobicContact CG-CD2 4.35Å; K26-D56 IonicContact NZ-OD1 3.9Å; K26-D56 IonicContact NZ-OD2 2.55Å; K26-D56 PolarHBondContact NZ-OD2 3.01Å
27K94Very high88.6Confident82 Ų8242.7 Ų42.736%0.35722%0.223SC..Hα-helixtrans-65.4-47.5179.3-167.9-171.6-175-174.60111.4E16 F18 D23 G24 L25 Y29 K30 T31E16-K27 IonicContact OE1-NZ 3Å; E16-K27 PolarHBondContact OE1-NZ 2.87Å; E16-K27 IonicContact OE2-NZ 3.43Å; E16-K27 PolarHBondContact OE2-NZ 3.19Å; F18-K27 HydrophobicContact CE1-CB 4.39Å; F18-K27 HydrophobicContact CE1-CD 3.81Å; D23-K27 WeakPolarHBondContact O-CB 3.21Å; D23-K27 PolarHBondContact O-N 3Å; G24-K27 PolarHBondContact O-N 3.09Å; L25-K27 VanDerWaalsContact C-N 3.34Å; L25-K27 PolarHBondContact O-N 3.24Å; K27-Y29 VanDerWaalsContact C-N 3.33Å; K27-Y29 PolarHBondContact O-N 3.1Å; K27-K30 PolarHBondContact O-N 3.26Å; K27-T31 HydrophobicContact CG-CG2 4.21Å; K27-T31 WeakPolarHBondContact O-CB 3.36Å; K27-T31 WeakPolarHBondContact O-CG2 3.46Å; K27-T31 PolarHBondContact O-N 3.19Å; K27-T31 PolarHBondContact O-OG1 3.03Å
28L94.8Very high90.7Very high5 Ų541.8 Ų41.83%0.02621%0.21CC..Hα-helixtrans-60.5-43.9178-70.1-176000111.4G24 L25 T31 K32 L33 M385 D389 L393G24-L28 WeakPolarHBondContact O-CG 3.14Å; G24-L28 PolarHBondContact O-N 2.92Å; L25-L28 PolarHBondContact O-N 2.72Å; L28-T31 PolarHBondContact O-N 3.09Å; L28-K32 HydrophobicContact CD2-CG 4.42Å; L28-K32 WeakPolarHBondContact O-CB 3.37Å; L28-K32 PolarHBondContact O-N 3.48Å; L28-L33 PolarHBondContact O-N 2.95Å; L28-M385 HydrophobicContact CB-CG 4.23Å; L28-M385 HydrophobicContact CB-SD 3.98Å; L28-M385 HydrophobicContact CD1-CG 4.06Å; L28-M385 HydrophobicContact CD2-CG 4.32Å; L28-M385 HydrophobicContact CG-CG 4.44Å; L28-D389 HydrophobicContact CD1-CB 3.78Å; L28-D389 HydrophobicContact CD2-CB 3.72Å; L28-D389 HydrophobicContact CG-CB 4.43Å; L28-L393 HydrophobicContact CD1-CD1 3.4Å; L28-L393 HydrophobicContact CD1-CG 4.3Å; L28-L393 HydrophobicContact CG-CD1 4.49Å
29Y96.5Very high92.3Very high1 Ų141.4 Ų41.40%0.00421%0.211CC..Iπ-helixtrans-55.7-57175176.7-110.3000111.5L25 K27 T31 L33 L34 E37 A49 L50 F55 L297L25-Y29 WeakPolarHBondContact O-CB 3.3Å; L25-Y29 PolarHBondContact O-N 3.47Å; K27-Y29 VanDerWaalsContact C-N 3.33Å; K27-Y29 PolarHBondContact O-N 3.1Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 3.14Å; Y29-L33 HydrophobicContact CD2-CB 4.03Å; Y29-L33 HydrophobicContact CD2-CD2 3.94Å; Y29-L33 HydrophobicContact CD2-CG 4.16Å; Y29-L33 HydrophobicContact CE2-CB 4.46Å; Y29-L33 HydrophobicContact CE2-CD2 4.18Å; Y29-L33 HydrophobicContact CE2-CG 4.24Å; Y29-L33 PolarHBondContact O-N 3.08Å; Y29-L33 VanDerWaalsContact O-N 3.11Å; Y29-L34 HydrophobicContact CE1-CB 4.16Å; Y29-L34 HydrophobicContact CE1-CD1 4.28Å; Y29-L34 HydrophobicContact CE1-CD2 4.48Å; Y29-L34 HydrophobicContact CE2-CB 4.47Å; Y29-L34 WeakPolarHBondContact O-CB 3.37Å; Y29-L34 PolarHBondContact O-N 3.02Å; Y29-E37 WeakPolarHBondContact CE2-OE2 3.35Å; Y29-E37 PolarHBondContact OH-OE2 2.75Å; Y29-A49 WeakPolarHBondContact OH-CA 3.46Å; Y29-L50 HydrophobicContact CD1-CB 4.09Å; Y29-L50 HydrophobicContact CD2-CD1 4.07Å; Y29-L50 HydrophobicContact CE1-CB 3.6Å; Y29-L50 HydrophobicContact CE1-CG 4.31Å; Y29-L50 WeakPolarHBondContact CE1-O 3.24Å; Y29-L50 HydrophobicContact CE2-CB 4.34Å; Y29-L50 HydrophobicContact CE2-CD1 4.01Å; Y29-L50 HydrophobicContact CE2-CG 4.15Å; Y29-L50 HydrophobicContact CG-CD1 4.41Å; Y29-L50 PolarHBondContact OH-N 2.94Å; Y29-F55 HydrophobicContact CD1-CE2 4.05Å; Y29-F55 AromaticContact CD1-CZ 3.86Å; Y29-F55 HydrophobicContact CD1-CZ 3.86Å; Y29-F55 HydrophobicContact CG-CE2 4.41Å; Y29-F55 AromaticContact CG-CZ 3.75Å; Y29-F55 HydrophobicContact CG-CZ 3.75Å; Y29-L297 HydrophobicContact CD2-CD1 3.92Å; Y29-L297 HydrophobicContact CG-CD1 4.47Å
30K96.6Very high93.8Very high90 Ų9032.8 Ų32.839%0.39117%0.171SC..Iπ-helixtrans-64.5-34.5-175.2-71.4-179.4-179.5-179.80113.5K26 K27 D52K26-K30 HydrophobicContact CG-CD 4.24Å; K26-K30 WeakPolarHBondContact O-CG 3.49Å; K26-K30 PolarHBondContact O-N 2.83Å; K27-K30 PolarHBondContact O-N 3.26Å; K30-D52 WeakPolarHBondContact CE-OD1 3.28Å; K30-D52 IonicContact NZ-OD1 3.89Å; K30-D52 PolarHBondContact NZ-OD1 3.21Å; K30-D52 IonicContact NZ-OD2 3.4Å; K30-D52 PolarHBondContact NZ-OD2 3.25Å
31T96.4Very high94.6Very high77 Ų7733.1 Ų33.147%0.47217%0.168SC..Iπ-helixtrans-94.4-30.7-17258.90000114.1K27 L28 Y29K27-T31 HydrophobicContact CG-CG2 4.21Å; K27-T31 WeakPolarHBondContact O-CB 3.36Å; K27-T31 WeakPolarHBondContact O-CG2 3.46Å; K27-T31 PolarHBondContact O-N 3.19Å; K27-T31 PolarHBondContact O-OG1 3.03Å; L28-T31 PolarHBondContact O-N 3.09Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 3.14Å
32K97Very high95.2Very high36 Ų3633.1 Ų33.116%0.15717%0.168CC..Iπ-helixtrans-111.3-45.5-174.4-55.2-64.2-162.2103.10112.5L28 A381 V382 D384 M385 D389L28-K32 HydrophobicContact CD2-CG 4.42Å; L28-K32 WeakPolarHBondContact O-CB 3.37Å; L28-K32 PolarHBondContact O-N 3.48Å; K32-A381 HydrophobicContact CD-CB 4.06Å; K32-V382 VanDerWaalsContact O-CG2 3.32Å; K32-V382 WeakPolarHBondContact O-CG2 3.3Å; K32-D384 IonicContact NZ-OD2 3.12Å; K32-D384 PolarHBondContact NZ-OD2 3.46Å; K32-M385 HydrophobicContact CB-CB 4.18Å; K32-M385 HydrophobicContact CB-CG 4.4Å; K32-M385 HydrophobicContact CB-SD 3.89Å; K32-M385 HydrophobicContact CG-CB 4.23Å; K32-M385 HydrophobicContact CG-CG 4.49Å; K32-M385 HydrophobicContact CG-SD 4.49Å; K32-D389 IonicContact NZ-OD2 3.05Å; K32-D389 PolarHBondContact NZ-OD2 2.92Å
33L97.8Very high95.6Very high0 Ų034.7 Ų34.70%017%0.172CC..Iπ-helixtrans-91.2-48-171.2-175.355.3000113.6L28 Y29 P35 L36 E37 L297 R300 A301 A304 V382L28-L33 PolarHBondContact O-N 2.95Å; Y29-L33 HydrophobicContact CD2-CB 4.03Å; Y29-L33 HydrophobicContact CD2-CD2 3.94Å; Y29-L33 HydrophobicContact CD2-CG 4.16Å; Y29-L33 HydrophobicContact CE2-CB 4.46Å; Y29-L33 HydrophobicContact CE2-CD2 4.18Å; Y29-L33 HydrophobicContact CE2-CG 4.24Å; Y29-L33 PolarHBondContact O-N 3.08Å; Y29-L33 VanDerWaalsContact O-N 3.11Å; L33-P35 VanDerWaalsContact C-CD 3.48Å; L33-L36 WeakPolarHBondContact O-CA 3.38Å; L33-L36 WeakPolarHBondContact O-CB 3.1Å; L33-L36 PolarHBondContact O-N 3.34Å; L33-E37 HydrophobicContact CD1-CG 4.28Å; L33-E37 WeakPolarHBondContact CD2-OE1 3.46Å; L33-E37 HydrophobicContact CG-CG 4.21Å; L33-E37 WeakPolarHBondContact CG-OE1 3.45Å; L33-E37 PolarHBondContact O-N 2.92Å; L33-L297 HydrophobicContact CD2-CD1 3.8Å; L33-R300 HydrophobicContact CD2-CG 4.22Å; L33-A301 HydrophobicContact CD1-CB 4.13Å; L33-A301 HydrophobicContact CD2-CB 3.99Å; L33-A304 HydrophobicContact CD1-CB 3.74Å; L33-V382 HydrophobicContact CD1-CG1 4.41Å; L33-V382 HydrophobicContact CD1-CG2 4.17Å
34L98Very high95.8Very high31 Ų3135.8 Ų35.816%0.16218%0.176CC..Hα-helixtrans-54.6-42.5-178.4178.565.2000113.2Y29 L36 E37 E38 A49Y29-L34 HydrophobicContact CE1-CB 4.16Å; Y29-L34 HydrophobicContact CE1-CD1 4.28Å; Y29-L34 HydrophobicContact CE1-CD2 4.48Å; Y29-L34 HydrophobicContact CE2-CB 4.47Å; Y29-L34 WeakPolarHBondContact O-CB 3.37Å; Y29-L34 PolarHBondContact O-N 3.02Å; L34-L36 PolarHBondContact O-N 2.62Å; L34-E37 PolarHBondContact O-N 3.3Å; L34-E37 VanDerWaalsContact O-N 3.11Å; L34-E38 HydrophobicContact CD1-CG 3.91Å; L34-E38 HydrophobicContact CG-CG 4.26Å; L34-E38 WeakPolarHBondContact O-CG 3.47Å; L34-E38 PolarHBondContact O-N 3.39Å; L34-A49 HydrophobicContact CD1-CB 4.07Å
35P98.3Very high95.8Very high39 Ų3936 Ų3625%0.25318%0.176SC..Hα-helixtrans-62.1-30.7177-24.936.2000114L33 S39 L378L33-P35 VanDerWaalsContact C-CD 3.48Å; P35-S39 VanDerWaalsContact O-CB 3.23Å; P35-S39 WeakPolarHBondContact O-CB 3.5Å; P35-S39 PolarHBondContact O-N 3.3Å; P35-S39 VanDerWaalsContact O-N 3.16Å; P35-S39 PolarHBondContact O-OG 3.39Å; P35-L378 HydrophobicContact CB-CD2 4.07Å
36L98.3Very high95.7Very high1 Ų137.9 Ų37.91%0.00519%0.185CC..Hα-helixtrans-71.2-47.5173-174.575.4000110.1L33 L34 E38 S39 Y40 A304 K305 A308 L378 L379 V382L33-L36 WeakPolarHBondContact O-CA 3.38Å; L33-L36 WeakPolarHBondContact O-CB 3.1Å; L33-L36 PolarHBondContact O-N 3.34Å; L34-L36 PolarHBondContact O-N 2.62Å; L36-E38 PolarHBondContact O-N 3.16Å; L36-S39 PolarHBondContact O-N 2.76Å; L36-Y40 HydrophobicContact CD1-CD2 3.72Å; L36-Y40 HydrophobicContact CD1-CE2 3.62Å; L36-Y40 HydrophobicContact CG-CD2 4.24Å; L36-Y40 WeakPolarHBondContact O-CD2 3.09Å; L36-Y40 PolarHBondContact O-N 3.43Å; L36-A304 HydrophobicContact CD2-CB 4.22Å; L36-K305 HydrophobicContact CD2-CG 4.14Å; L36-A308 HydrophobicContact CD1-CB 4.02Å; L36-A308 HydrophobicContact CG-CB 4.4Å; L36-L378 HydrophobicContact CD1-CB 3.73Å; L36-L379 HydrophobicContact CD1-CD2 4.08Å; L36-L379 HydrophobicContact CD1-CG 4.43Å; L36-L379 HydrophobicContact CD2-CD2 4.37Å; L36-V382 HydrophobicContact CB-CG2 4.3Å; L36-V382 HydrophobicContact CD2-CG2 3.85Å
37E98.1Very high95.4Very high1 Ų137.1 Ų37.11%0.00518%0.183CC..Hα-helixtrans-56.7-48.6178.8-70-177.417900111.6Y29 L33 L34 Y40 K41 F42 H43 R300 A304Y29-E37 WeakPolarHBondContact CE2-OE2 3.35Å; Y29-E37 PolarHBondContact OH-OE2 2.75Å; L33-E37 HydrophobicContact CD1-CG 4.28Å; L33-E37 WeakPolarHBondContact CD2-OE1 3.46Å; L33-E37 HydrophobicContact CG-CG 4.21Å; L33-E37 WeakPolarHBondContact CG-OE1 3.45Å; L33-E37 PolarHBondContact O-N 2.92Å; L34-E37 PolarHBondContact O-N 3.3Å; L34-E37 VanDerWaalsContact O-N 3.11Å; E37-Y40 PolarHBondContact O-N 3.45Å; E37-K41 PolarHBondContact O-N 3.33Å; E37-K41 VanDerWaalsContact O-N 3.14Å; E37-F42 HydrophobicContact CB-CB 3.76Å; E37-F42 HydrophobicContact CB-CD1 4.33Å; E37-F42 HydrophobicContact CB-CG 4.19Å; E37-F42 HydrophobicContact CG-CB 4.03Å; E37-F42 HydrophobicContact CG-CD1 3.97Å; E37-F42 HydrophobicContact CG-CG 3.93Å; E37-F42 VanDerWaalsContact O-CB 3.32Å; E37-F42 WeakPolarHBondContact O-CB 3.23Å; E37-F42 PolarHBondContact O-N 3.1Å; E37-H43 IonicContact OE2-CE1 3.49Å; E37-H43 PolarHBondContact OE2-CE1 3.3Å; E37-H43 IonicContact OE2-NE2 2.72Å; E37-R300 WeakPolarHBondContact OE1-CD 3.38Å; E37-R300 IonicContact OE1-CZ 2.9Å; E37-R300 IonicContact OE1-NE 2.9Å; E37-R300 PolarHBondContact OE1-NE 3.07Å; E37-R300 IonicContact OE1-NH2 2.65Å; E37-R300 PolarHBondContact OE1-NH2 2.99Å; E37-R300 IonicContact OE2-CZ 3.79Å; E37-R300 IonicContact OE2-NE 3.42Å; E37-R300 PolarHBondContact OE2-NE 2.74Å; E37-R300 IonicContact OE2-NH2 3.45Å; E37-R300 PolarHBondContact OE2-NH2 3.22Å; E37-A304 HydrophobicContact CG-CB 4.12Å
38E97.4Very high95.2Very high122 Ų12235 Ų3557%0.5718%0.177SC*.Hα-helixtrans-65.3-44.8178.6-69.4-179.7157.500112.1L34 L36 Y40 K41L34-E38 HydrophobicContact CD1-CG 3.91Å; L34-E38 HydrophobicContact CG-CG 4.26Å; L34-E38 WeakPolarHBondContact O-CG 3.47Å; L34-E38 PolarHBondContact O-N 3.39Å; L36-E38 PolarHBondContact O-N 3.16Å; E38-Y40 PolarHBondContact O-N 3.37Å; E38-K41 PolarHBondContact O-N 3.37Å
39S97.6Very high95.1Very high29 Ų2936 Ų3620%0.20319%0.186CC..Hα-helixtrans-60.4-32.7-178.3-74.20000113.2P35 L36 Q372 K375 L378P35-S39 VanDerWaalsContact O-CB 3.23Å; P35-S39 WeakPolarHBondContact O-CB 3.5Å; P35-S39 PolarHBondContact O-N 3.3Å; P35-S39 VanDerWaalsContact O-N 3.16Å; P35-S39 PolarHBondContact O-OG 3.39Å; L36-S39 PolarHBondContact O-N 2.76Å; S39-Q372 WeakPolarHBondContact O-CG 3.34Å; S39-K375 PolarHBondContact OG-NZ 2.85Å; S39-L378 VanDerWaalsContact OG-CD1 3.31Å; S39-L378 WeakPolarHBondContact OG-CD1 3.35Å
40Y97.6Very high94.9Very high2 Ų237.6 Ų37.61%0.00820%0.195CC..THydrogen-bonded Turntrans-109.617.8-177.2-64.7-73.7000113.4L36 E37 E38 F42 H307 A308 I311 S312 Q372 P373 L374 K375L36-Y40 HydrophobicContact CD1-CD2 3.72Å; L36-Y40 HydrophobicContact CD1-CE2 3.62Å; L36-Y40 HydrophobicContact CG-CD2 4.24Å; L36-Y40 WeakPolarHBondContact O-CD2 3.09Å; L36-Y40 PolarHBondContact O-N 3.43Å; E37-Y40 PolarHBondContact O-N 3.45Å; E38-Y40 PolarHBondContact O-N 3.37Å; Y40-F42 PolarHBondContact O-N 2.97Å; Y40-H307 PolarHBondContact O-CD2 3.29Å; Y40-H307 PolarHBondContact O-NE2 3.47Å; Y40-A308 HydrophobicContact CD1-CB 4.25Å; Y40-A308 HydrophobicContact CD2-CB 3.43Å; Y40-A308 VanDerWaalsContact CD2-CB 3.43Å; Y40-A308 HydrophobicContact CE2-CB 3.77Å; Y40-A308 HydrophobicContact CG-CB 3.72Å; Y40-I311 HydrophobicContact CD1-CB 4.13Å; Y40-I311 HydrophobicContact CD1-CG2 3.87Å; Y40-S312 WeakPolarHBondContact CE1-OG 3.47Å; Y40-Q372 HydrophobicContact CE1-CB 4.13Å; Y40-P373 PolarHBondContact OH-O 3.48Å; Y40-L374 VanDerWaalsContact OH-CA 3.26Å; Y40-L374 WeakPolarHBondContact OH-CA 3.29Å; Y40-K375 PolarHBondContact OH-N 3.44Å
41K96.5Very high94.6Very high59 Ų5935.4 Ų35.426%0.25719%0.186SC..THydrogen-bonded Turntrans55.133.6176.2-64.5163.5144.6-86.90113.1E37 E38 H43 E44 F45 F371E37-K41 PolarHBondContact O-N 3.33Å; E37-K41 VanDerWaalsContact O-N 3.14Å; E38-K41 PolarHBondContact O-N 3.37Å; K41-H43 PolarHBondContact O-N 3.2Å; K41-H43 VanDerWaalsContact O-N 3.12Å; K41-E44 HydrophobicContact CB-CG 4.32Å; K41-E44 IonicContact NZ-OE1 2.73Å; K41-E44 PolarHBondContact NZ-OE1 2.87Å; K41-E44 IonicContact NZ-OE2 3.52Å; K41-E44 PolarHBondContact NZ-OE2 3.34Å; K41-E44 WeakPolarHBondContact O-CB 3.48Å; K41-E44 PolarHBondContact O-N 2.9Å; K41-F45 HydrophobicContact CB-CE2 4.45Å; K41-F45 WeakPolarHBondContact O-CD2 3.18Å; K41-F371 HydrophobicContact CD-CD1 4.21Å; K41-F371 HydrophobicContact CD-CE1 4.21Å
42F96.6Very high94.3Very high1 Ų134.9 Ų34.90%0.00418%0.18CC..G310 helixtrans-51.1-40.6-175.6179.3-91000112.7E37 Y40 E44 F45 H46 R300 L303 A304 H307E37-F42 HydrophobicContact CB-CB 3.76Å; E37-F42 HydrophobicContact CB-CD1 4.33Å; E37-F42 HydrophobicContact CB-CG 4.19Å; E37-F42 HydrophobicContact CG-CB 4.03Å; E37-F42 HydrophobicContact CG-CD1 3.97Å; E37-F42 HydrophobicContact CG-CG 3.93Å; E37-F42 VanDerWaalsContact O-CB 3.32Å; E37-F42 WeakPolarHBondContact O-CB 3.23Å; E37-F42 PolarHBondContact O-N 3.1Å; Y40-F42 PolarHBondContact O-N 2.97Å; F42-E44 PolarHBondContact O-N 3.49Å; F42-F45 PolarHBondContact O-N 3.49Å; F42-F45 VanDerWaalsContact O-N 3.09Å; F42-H46 HydrophobicContact CD1-CB 4.34Å; F42-H46 HydrophobicContact CD2-CB 4.44Å; F42-H46 AromaticContact CD2-CD2 3.49Å; F42-H46 VanDerWaalsContact CD2-CD2 3.49Å; F42-H46 WeakPolarHBondContact CD2-CD2 3.49Å; F42-H46 HydrophobicContact CE1-CB 3.78Å; F42-H46 HydrophobicContact CE2-CB 3.91Å; F42-H46 AromaticContact CE2-CD2 3.41Å; F42-H46 VanDerWaalsContact CE2-CD2 3.41Å; F42-H46 WeakPolarHBondContact CE2-CD2 3.33Å; F42-H46 AromaticContact CE2-CG 3.84Å; F42-H46 HydrophobicContact CZ-CB 3.55Å; F42-H46 AromaticContact CZ-CG 4Å; F42-H46 PolarHBondContact O-N 3.32Å; F42-R300 HydrophobicContact CZ-CG 4.4Å; F42-L303 HydrophobicContact CE2-CB 4.48Å; F42-L303 HydrophobicContact CE2-CD2 4.25Å; F42-L303 HydrophobicContact CE2-CG 4Å; F42-L303 HydrophobicContact CZ-CD2 4.11Å; F42-L303 HydrophobicContact CZ-CG 4.33Å; F42-A304 HydrophobicContact CD2-CB 3.92Å; F42-A304 HydrophobicContact CE2-CB 3.88Å; F42-H307 HydrophobicContact CD2-CB 4.18Å
43H93.4Very high93.9Very high57 Ų5733.5 Ų33.526%0.26418%0.175SC..G310 helixtrans-66.9-17.8-177.8-50.2-51.1000115E37 K41 F45 S47 P48 A49E37-H43 IonicContact OE2-CE1 3.49Å; E37-H43 PolarHBondContact OE2-CE1 3.3Å; E37-H43 IonicContact OE2-NE2 2.72Å; K41-H43 PolarHBondContact O-N 3.2Å; K41-H43 VanDerWaalsContact O-N 3.12Å; H43-F45 VanDerWaalsContact C-N 3.32Å; H43-S47 WeakPolarHBondContact CA-O 3.37Å; H43-S47 PolarHBondContact ND1-O 2.83Å; H43-P48 VanDerWaalsContact ND1-C 3.29Å; H43-A49 WeakPolarHBondContact CE1-CA 3.48Å; H43-A49 PolarHBondContact CE1-N 3.31Å; H43-A49 VanDerWaalsContact CE1-N 3.32Å; H43-A49 PolarHBondContact ND1-N 2.91Å; H43-A49 VanDerWaalsContact ND1-N 3.11Å
44E91.1Very high93.5Very high92 Ų9234.5 Ų34.543%0.4318%0.181SC..G310 helixtrans-82.4-13176.2-62.2178.3-152.700112.2K41 F42 Q366K41-E44 HydrophobicContact CB-CG 4.32Å; K41-E44 IonicContact NZ-OE1 2.73Å; K41-E44 PolarHBondContact NZ-OE1 2.87Å; K41-E44 IonicContact NZ-OE2 3.52Å; K41-E44 PolarHBondContact NZ-OE2 3.34Å; K41-E44 WeakPolarHBondContact O-CB 3.48Å; K41-E44 PolarHBondContact O-N 2.9Å; F42-E44 PolarHBondContact O-N 3.49Å; E44-Q366 PolarHBondContact OE2-NE2 2.68Å; E44-Q366 PolarHBondContact OE2-OE1 2.83Å
45F91.3Very high93Very high4 Ų433.6 Ų33.62%0.01818%0.176CC..THydrogen-bonded Turntrans-117.1-45-175.6-67.3-92.6000113K41 F42 H43 H307 I311 M359 Q362 L363 Q366 F371K41-F45 HydrophobicContact CB-CE2 4.45Å; K41-F45 WeakPolarHBondContact O-CD2 3.18Å; F42-F45 PolarHBondContact O-N 3.49Å; F42-F45 VanDerWaalsContact O-N 3.09Å; H43-F45 VanDerWaalsContact C-N 3.32Å; F45-H307 AromaticContact CD2-CE1 3.39Å; F45-H307 WeakPolarHBondContact CD2-CE1 3.32Å; F45-H307 AromaticContact CD2-NE2 3.8Å; F45-H307 AromaticContact CE2-CE1 3.92Å; F45-H307 AromaticContact CG-CE1 3.59Å; F45-I311 HydrophobicContact CE2-CD1 4.1Å; F45-I311 HydrophobicContact CZ-CD1 4.03Å; F45-M359 HydrophobicContact CB-SD 4.47Å; F45-M359 HydrophobicContact CD1-CE 3.3Å; F45-M359 HydrophobicContact CD1-SD 3.62Å; F45-M359 HydrophobicContact CE1-CE 3.38Å; F45-M359 HydrophobicContact CE1-SD 4.2Å; F45-M359 HydrophobicContact CG-CE 3.97Å; F45-M359 HydrophobicContact CG-SD 4.31Å; F45-M359 HydrophobicContact CZ-CE 4.09Å; F45-Q362 HydrophobicContact CD1-CB 3.74Å; F45-Q362 HydrophobicContact CE1-CB 4.02Å; F45-Q362 PolarHBondContact O-NE2 2.91Å; F45-Q362 PolarHBondContact O-OE1 3.16Å; F45-L363 HydrophobicContact CE1-CD2 3.7Å; F45-L363 HydrophobicContact CE1-CG 3.97Å; F45-L363 HydrophobicContact CZ-CD2 3.87Å; F45-Q366 HydrophobicContact CE1-CG 4.12Å; F45-Q366 HydrophobicContact CE2-CG 4.42Å; F45-Q366 HydrophobicContact CZ-CB 4.39Å; F45-Q366 HydrophobicContact CZ-CG 3.65Å; F45-F371 HydrophobicContact CZ-CZ 4.08Å
46H89.4Confident92.5Very high42 Ų4236 Ų3619%0.19419%0.187CC..SBendtrans-107.3-82.4-169.2-56.3-63.4000111F42 L303 H307F42-H46 HydrophobicContact CD1-CB 4.34Å; F42-H46 HydrophobicContact CD2-CB 4.44Å; F42-H46 AromaticContact CD2-CD2 3.49Å; F42-H46 VanDerWaalsContact CD2-CD2 3.49Å; F42-H46 WeakPolarHBondContact CD2-CD2 3.49Å; F42-H46 HydrophobicContact CE1-CB 3.78Å; F42-H46 HydrophobicContact CE2-CB 3.91Å; F42-H46 AromaticContact CE2-CD2 3.41Å; F42-H46 VanDerWaalsContact CE2-CD2 3.41Å; F42-H46 WeakPolarHBondContact CE2-CD2 3.33Å; F42-H46 AromaticContact CE2-CG 3.84Å; F42-H46 HydrophobicContact CZ-CB 3.55Å; F42-H46 AromaticContact CZ-CG 4Å; F42-H46 PolarHBondContact O-N 3.32Å; H46-L303 HydrophobicContact CB-CD2 4.3Å; H46-H307 AromaticContact CD2-CG 3.85Å; H46-H307 AromaticContact CD2-ND1 3.65Å; H46-H307 AromaticContact NE2-CE1 3.66Å; H46-H307 AromaticContact NE2-CG 3.44Å; H46-H307 AromaticContact NE2-ND1 2.93Å; H46-H307 PolarHBondContact NE2-ND1 3.41Å
47S87.3Confident91.9Very high8 Ų837 Ų376%0.05619%0.192CC..  trans-147.2153.6-177.752.20000113.2H43 E180 R300H43-S47 WeakPolarHBondContact CA-O 3.37Å; H43-S47 PolarHBondContact ND1-O 2.83Å; S47-E180 WeakPolarHBondContact CB-OE1 3.25Å; S47-E180 VanDerWaalsContact CB-OE2 3.29Å; S47-E180 WeakPolarHBondContact CB-OE2 3.4Å; S47-R300 PolarHBondContact O-NH2 2.84Å; S47-R300 PolarHBondContact OG-NH1 2.95Å
48P90.1Very high91.5Very high37 Ų3740.6 Ų40.624%0.2421%0.207CC..PPolyproline II helixtrans-58.3163-178.3-23.934.1000113.3H43 K124 R300H43-P48 VanDerWaalsContact ND1-C 3.29Å; P48-K124 HydrophobicContact CB-CB 4.33Å; P48-K124 HydrophobicContact CB-CD 3.82Å; P48-K124 HydrophobicContact CB-CG 3.84Å; P48-K124 HydrophobicContact CG-CB 4.16Å; P48-K124 HydrophobicContact CG-CD 4.47Å; P48-K124 HydrophobicContact CG-CG 4.23Å; P48-R300 PolarHBondContact O-NH2 3.36Å
49A92.4Very high91.4Very high26 Ų2635.1 Ų35.122%0.21518%0.183CC..PPolyproline II helixtrans-60.9138.7171.900000110.6Y29 L34 H43 K124Y29-A49 WeakPolarHBondContact OH-CA 3.46Å; L34-A49 HydrophobicContact CD1-CB 4.07Å; H43-A49 WeakPolarHBondContact CE1-CA 3.48Å; H43-A49 PolarHBondContact CE1-N 3.31Å; H43-A49 VanDerWaalsContact CE1-N 3.32Å; H43-A49 PolarHBondContact ND1-N 2.91Å; H43-A49 VanDerWaalsContact ND1-N 3.11Å; A49-K124 VanDerWaalsContact O-CE 3.28Å; A49-K124 WeakPolarHBondContact O-CE 3.33Å
50L91.6Very high91.3Very high36 Ų3633.9 Ų33.919%0.18817%0.173CC..PPolyproline II helixtrans-72.1138.6175.7-56.8176.7000109.6Y29 D54 F55Y29-L50 HydrophobicContact CD1-CB 4.09Å; Y29-L50 HydrophobicContact CD2-CD1 4.07Å; Y29-L50 HydrophobicContact CE1-CB 3.6Å; Y29-L50 HydrophobicContact CE1-CG 4.31Å; Y29-L50 WeakPolarHBondContact CE1-O 3.24Å; Y29-L50 HydrophobicContact CE2-CB 4.34Å; Y29-L50 HydrophobicContact CE2-CD1 4.01Å; Y29-L50 HydrophobicContact CE2-CG 4.15Å; Y29-L50 HydrophobicContact CG-CD1 4.41Å; Y29-L50 PolarHBondContact OH-N 2.94Å; L50-D54 WeakPolarHBondContact CA-OD2 3.22Å; L50-D54 HydrophobicContact CB-CB 4.41Å; L50-D54 HydrophobicContact CD2-CB 4.31Å; L50-F55 HydrophobicContact CB-CE2 3.82Å; L50-F55 HydrophobicContact CB-CZ 4.05Å; L50-F55 HydrophobicContact CD1-CE1 4.45Å; L50-F55 HydrophobicContact CD1-CE2 4.35Å; L50-F55 HydrophobicContact CD1-CZ 3.76Å
51E90.6Very high91.3Very high44 Ų4433.9 Ų33.921%0.20617%0.174CC..  trans-106168.2176.1-63.4-175.5-175.100110.2A53 D54 F55 R123 K124E51-A53 PolarHBondContact O-N 3.14Å; E51-D54 PolarHBondContact N-OD2 3.42Å; E51-D54 WeakPolarHBondContact O-CB 3.22Å; E51-D54 PolarHBondContact O-N 3.22Å; E51-F55 VanDerWaalsContact O-CD2 3.31Å; E51-F55 WeakPolarHBondContact O-CD2 3.34Å; E51-R123 WeakPolarHBondContact OE2-CD 3.46Å; E51-K124 WeakPolarHBondContact OE1-CE 3.18Å; E51-K124 IonicContact OE1-NZ 2.92Å; E51-K124 PolarHBondContact OE1-NZ 2.93Å
52D90.6Very high91.3Very high65 Ų6531 Ų3135%0.34816%0.161SC..Hα-helixtrans-56.8-37.3-179-77.423.2000112.5K26 K30 D54 F55 D56K26-D52 WeakPolarHBondContact CE-OD1 3.37Å; K26-D52 WeakPolarHBondContact CE-OD2 3.43Å; K26-D52 IonicContact NZ-OD1 3.64Å; K26-D52 IonicContact NZ-OD2 2.83Å; K26-D52 PolarHBondContact NZ-OD2 3.4Å; K30-D52 WeakPolarHBondContact CE-OD1 3.28Å; K30-D52 IonicContact NZ-OD1 3.89Å; K30-D52 PolarHBondContact NZ-OD1 3.21Å; K30-D52 IonicContact NZ-OD2 3.4Å; K30-D52 PolarHBondContact NZ-OD2 3.25Å; D52-D54 PolarHBondContact O-N 3.11Å; D52-F55 PolarHBondContact O-N 3.32Å; D52-F55 VanDerWaalsContact O-N 3.09Å; D52-D56 PolarHBondContact O-N 3.11Å; D52-D56 VanDerWaalsContact O-N 3.09Å; D52-D56 VanDerWaalsContact O-OD2 3.13Å
53A89.1Confident91.4Very high7 Ų731 Ų316%0.05816%0.161CC..Hα-helixtrans-61.9-26176.100000113.8E51 F55 N57 P121E51-A53 PolarHBondContact O-N 3.14Å; A53-F55 VanDerWaalsContact C-N 3.28Å; A53-F55 PolarHBondContact O-N 2.83Å; A53-N57 VanDerWaalsContact O-CB 3.28Å; A53-N57 WeakPolarHBondContact O-CB 3.31Å; A53-N57 PolarHBondContact O-N 3.22Å; A53-N57 VanDerWaalsContact O-N 3.07Å; A53-P121 HydrophobicContact CB-CB 4.33Å
54D88.2Confident91.5Very high21 Ų2128.3 Ų28.311%0.11215%0.149CC..Hα-helixtrans-71.3-25.8177-64.1-61.3000111.8L50 E51 D52 N57 R181L50-D54 WeakPolarHBondContact CA-OD2 3.22Å; L50-D54 HydrophobicContact CB-CB 4.41Å; L50-D54 HydrophobicContact CD2-CB 4.31Å; E51-D54 PolarHBondContact N-OD2 3.42Å; E51-D54 WeakPolarHBondContact O-CB 3.22Å; E51-D54 PolarHBondContact O-N 3.22Å; D52-D54 PolarHBondContact O-N 3.11Å; D54-N57 PolarHBondContact O-OD1 3.37Å; D54-R181 IonicContact OD1-NE 3.46Å; D54-R181 PolarHBondContact OD1-NE 3.4Å
55F88.6Confident91.6Very high12 Ų1223.9 Ų23.95%0.05313%0.128CC..Hα-helixtrans-89.4-33.3176.4-61-84.9000111.9S22 L25 K26 Y29 L50 E51 D52 A53 K293S22-F55 PolarHBondContact OG-O 2.92Å; S22-F55 VanDerWaalsContact OG-O 3.07Å; L25-F55 HydrophobicContact CB-CD1 3.86Å; L25-F55 HydrophobicContact CB-CE1 4.01Å; K26-F55 HydrophobicContact CB-CD1 4.39Å; K26-F55 HydrophobicContact CB-CD2 4.19Å; K26-F55 HydrophobicContact CB-CG 4.1Å; K26-F55 HydrophobicContact CG-CD2 4.35Å; Y29-F55 HydrophobicContact CD1-CE2 4.05Å; Y29-F55 AromaticContact CD1-CZ 3.86Å; Y29-F55 HydrophobicContact CD1-CZ 3.86Å; Y29-F55 HydrophobicContact CG-CE2 4.41Å; Y29-F55 AromaticContact CG-CZ 3.75Å; Y29-F55 HydrophobicContact CG-CZ 3.75Å; L50-F55 HydrophobicContact CB-CE2 3.82Å; L50-F55 HydrophobicContact CB-CZ 4.05Å; L50-F55 HydrophobicContact CD1-CE1 4.45Å; L50-F55 HydrophobicContact CD1-CE2 4.35Å; L50-F55 HydrophobicContact CD1-CZ 3.76Å; E51-F55 VanDerWaalsContact O-CD2 3.31Å; E51-F55 WeakPolarHBondContact O-CD2 3.34Å; D52-F55 PolarHBondContact O-N 3.32Å; D52-F55 VanDerWaalsContact O-N 3.09Å; A53-F55 VanDerWaalsContact C-N 3.28Å; A53-F55 PolarHBondContact O-N 2.83Å; F55-K293 PolarHBondContact O-NZ 2.91Å
56D86.5Confident91.5Very high91 Ų9124.6 Ų24.649%0.48713%0.132SC..Hα-helixtrans-93.3-6.8-172.5-58.5-32.8000113.1S22 K26 D52S22-D56 PolarHBondContact OG-OD1 3.09Å; K26-D56 IonicContact NZ-OD1 3.9Å; K26-D56 IonicContact NZ-OD2 2.55Å; K26-D56 PolarHBondContact NZ-OD2 3.01Å; D52-D56 PolarHBondContact O-N 3.11Å; D52-D56 VanDerWaalsContact O-N 3.09Å; D52-D56 VanDerWaalsContact O-OD2 3.13Å
57N86.6Confident91.4Very high21 Ų2125.6 Ų25.611%0.11213%0.134CC..PPolyproline II helixtrans-65.1152.8179.570.5-11.7000113.4A53 D54 M60 P121 K293A53-N57 VanDerWaalsContact O-CB 3.28Å; A53-N57 WeakPolarHBondContact O-CB 3.31Å; A53-N57 PolarHBondContact O-N 3.22Å; A53-N57 VanDerWaalsContact O-N 3.07Å; D54-N57 PolarHBondContact O-OD1 3.37Å; N57-M60 WeakPolarHBondContact ND2-CE 3.4Å; N57-P121 HydrophobicContact CB-CG 4.18Å; N57-K293 PolarHBondContact O-NZ 3.12Å; N57-K293 WeakPolarHBondContact OD1-CE 3.41Å; N57-K293 PolarHBondContact OD1-NZ 3.22Å
58K90.3Very high91.4Very high76 Ų7628.1 Ų28.133%0.3315%0.151SC..PPolyproline II helixtrans-70.9155.8165.9-59-176.3-170-173.70109.9M60 L146 E147K58-M60 PolarHBondContact O-N 2.79Å; K58-L146 PolarHBondContact NZ-O 3.36Å; K58-E147 WeakPolarHBondContact CD-O 3.37Å; K58-E147 VanDerWaalsContact CE-O 3.23Å; K58-E147 WeakPolarHBondContact CE-O 3.34Å; K58-E147 VanDerWaalsContact NZ-C 3.27Å; K58-E147 VanDerWaalsContact NZ-CA 3.29Å; K58-E147 PolarHBondContact NZ-O 3.5Å
59P93.3Very high91.5Very high8 Ų826.6 Ų26.65%0.05214%0.141CC..PPolyproline II helixtrans-56139.6174.9-21.830.7000112S148 I149 S150 D183 L285 P286 A289P59-S148 WeakPolarHBondContact CD-O 3.31Å; P59-I149 HydrophobicContact CB-CG2 4.24Å; P59-I149 CarbonylContact O-C 3.53Å; P59-I149 WeakPolarHBondContact O-CA 3.5Å; P59-S150 PolarHBondContact O-N 3.38Å; P59-D183 WeakPolarHBondContact CA-OD2 3.37Å; P59-D183 HydrophobicContact CB-CB 4.19Å; P59-D183 WeakPolarHBondContact CB-OD2 3.39Å; P59-L285 HydrophobicContact CB-CB 3.98Å; P59-L285 HydrophobicContact CG-CB 4.37Å; P59-P286 HydrophobicContact CG-CB 4.46Å; P59-A289 HydrophobicContact CG-CB 3.78Å
60M95.8Very high91.4Very high2 Ų226 Ų261%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-112.7138.6-179.3-66.5-177.1-63.400111.5N57 K58 P121 F122 S150 I152 R181 V182 D183 R184N57-M60 WeakPolarHBondContact ND2-CE 3.4Å; K58-M60 PolarHBondContact O-N 2.79Å; M60-P121 HydrophobicContact SD-CG 4.4Å; M60-F122 HydrophobicContact SD-CE1 4.37Å; M60-F122 HydrophobicContact SD-CZ 4.44Å; M60-S150 CarbonylContact C-O 3.07Å; M60-S150 VanDerWaalsContact CA-O 3.3Å; M60-S150 WeakPolarHBondContact CA-O 3.18Å; M60-I152 HydrophobicContact SD-CD1 4.46Å; M60-R181 HydrophobicContact CE-CB 3.87Å; M60-R181 VanDerWaalsContact CE-O 3.28Å; M60-R181 WeakPolarHBondContact CE-O 3.16Å; M60-V182 HydrophobicContact CB-CB 4.11Å; M60-V182 HydrophobicContact CB-CG1 3.71Å; M60-V182 HydrophobicContact CE-CG1 4.35Å; M60-V182 WeakPolarHBondContact O-CB 3.5Å; M60-D183 PolarHBondContact N-OD2 3.36Å; M60-D183 PolarHBondContact O-N 3.46Å; M60-R184 PolarHBondContact O-N 2.96Å
61V97.7Very high91.6Very high2 Ų224.9 Ų24.91%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-112.1118.9173-175.50000108.8L63 I149 S150 V151 I152 R184 I186 L285V61-L63 HydrophobicContact CG1-CD2 4.24Å; V61-I149 HydrophobicContact CG2-CD1 4.38Å; V61-S150 PolarHBondContact N-O 2.99Å; V61-V151 CarbonylContact O-C 3.53Å; V61-V151 WeakPolarHBondContact O-CA 3.47Å; V61-I152 PolarHBondContact O-N 2.91Å; V61-R184 WeakPolarHBondContact CA-O 3.13Å; V61-R184 HydrophobicContact CG1-CB 4.29Å; V61-R184 HydrophobicContact CG2-CB 4.39Å; V61-I186 HydrophobicContact CG1-CD1 3.61Å; V61-I186 HydrophobicContact CG1-CG1 3.83Å; V61-L285 HydrophobicContact CG2-CD1 3.47Å; V61-L285 VanDerWaalsContact CG2-CD1 3.47Å
62L98Very high91.7Very high0 Ų023.4 Ų23.40%013%0.125CC..EExtended strand (participates in β ladder)trans-95123.6177.5-177.966.7000110.3V64 I152 T154 L175 F178 V182 R184 I185 I186L62-V64 HydrophobicContact CD2-CG2 3.88Å; L62-V64 HydrophobicContact CG-CG2 3.79Å; L62-I152 HydrophobicContact CD1-CB 3.74Å; L62-I152 HydrophobicContact CD1-CG2 3.62Å; L62-T154 HydrophobicContact CD1-CG2 3.49Å; L62-T154 VanDerWaalsContact CD1-CG2 3.49Å; L62-T154 HydrophobicContact CG-CG2 4.36Å; L62-L175 HydrophobicContact CD1-CD2 4.34Å; L62-L175 HydrophobicContact CD2-CD2 4.15Å; L62-F178 HydrophobicContact CD1-CB 4.11Å; L62-F178 HydrophobicContact CD1-CG 4.27Å; L62-F178 HydrophobicContact CD2-CB 3.9Å; L62-V182 HydrophobicContact CB-CB 4.31Å; L62-V182 HydrophobicContact CB-CG1 3.94Å; L62-V182 HydrophobicContact CB-CG2 3.99Å; L62-R184 PolarHBondContact N-O 3.24Å; L62-I185 HydrophobicContact CB-CG1 4.43Å; L62-I185 HydrophobicContact CD2-CG1 4.36Å; L62-I185 HydrophobicContact CD2-CG2 4.33Å; L62-I185 CarbonylContact O-C 3.54Å; L62-I185 WeakPolarHBondContact O-CA 3.39Å; L62-I186 PolarHBondContact O-N 3.45Å
63L97.5Very high91.8Very high0 Ų021.9 Ų21.90%012%0.12CC..EExtended strand (participates in β ladder)trans-96.6124.9172.6-56.8-168.9000110.2V61 K71 F74 I75 V151 I152 T154 I186 L188V61-L63 HydrophobicContact CG1-CD2 4.24Å; L63-K71 HydrophobicContact CB-CB 4.34Å; L63-K71 HydrophobicContact CB-CD 4.41Å; L63-K71 HydrophobicContact CB-CG 4.34Å; L63-K71 HydrophobicContact CD1-CB 4.26Å; L63-K71 WeakPolarHBondContact CD1-O 3.4Å; L63-F74 HydrophobicContact CD1-CB 4.47Å; L63-F74 HydrophobicContact CD1-CD1 3.9Å; L63-F74 HydrophobicContact CD2-CD1 4.07Å; L63-F74 HydrophobicContact CD2-CE1 4.14Å; L63-I75 HydrophobicContact CD1-CD1 3.78Å; L63-I75 HydrophobicContact CD1-CG1 3.34Å; L63-I75 HydrophobicContact CG-CG1 4.44Å; L63-V151 HydrophobicContact CD1-CG1 4.37Å; L63-V151 HydrophobicContact CG-CG1 4.16Å; L63-I152 PolarHBondContact N-O 3.2Å; L63-T154 VanDerWaalsContact O-CB 3.31Å; L63-T154 WeakPolarHBondContact O-CB 3.22Å; L63-T154 WeakPolarHBondContact O-CG2 3.49Å; L63-T154 PolarHBondContact O-OG1 2.97Å; L63-I186 HydrophobicContact CD2-CB 3.65Å; L63-I186 HydrophobicContact CD2-CD1 3.8Å; L63-I186 HydrophobicContact CD2-CG1 4.04Å; L63-I186 HydrophobicContact CD2-CG2 4.27Å; L63-L188 HydrophobicContact CB-CD1 4.21Å; L63-L188 HydrophobicContact CD2-CD1 4.14Å
64V95.6Very high92Very high0 Ų021.5 Ų21.50%012%0.117CC..EExtended strand (participates in β ladder)trans-129140.1178.4-173.10000109.5L62 I157 L175 I185 I186 L187 L188 F200 V203L62-V64 HydrophobicContact CD2-CG2 3.88Å; L62-V64 HydrophobicContact CG-CG2 3.79Å; V64-I157 HydrophobicContact CG1-CD1 3.78Å; V64-L175 HydrophobicContact CG1-CD1 4.01Å; V64-L175 HydrophobicContact CG2-CD2 4.05Å; V64-I185 HydrophobicContact CG2-CG2 4.14Å; V64-I186 PolarHBondContact N-O 3.39Å; V64-L187 HydrophobicContact CB-CD2 3.78Å; V64-L187 HydrophobicContact CG1-CD2 4.25Å; V64-L187 HydrophobicContact CG2-CD2 4.41Å; V64-L187 CarbonylContact O-C 3.3Å; V64-L187 WeakPolarHBondContact O-CA 3.24Å; V64-L188 PolarHBondContact O-N 3.19Å; V64-F200 HydrophobicContact CG1-CE2 4.06Å; V64-V203 HydrophobicContact CG1-CG1 3.96Å
65G93.1Very high92.4Very high0 Ų020.5 Ų20.50%011%0.111CC..EExtended strand (participates in β ladder)trans170166177.300000112.6K71 I157G65-K71 PolarHBondContact O-NZ 2.95Å; G65-I157 PolarHBondContact O-N 3.27Å; G65-I157 VanDerWaalsContact O-N 3.13Å
66Q90.3Very high92.6Very high19 Ų1924.8 Ų24.89%0.08913%0.127CC..BIsolated β-bridgetrans-63.3175.5177.8-68-171.2-20.700112.9T69 K71 I157 D195 S197 F200Q66-T69 HydrophobicContact CB-CG2 3.97Å; Q66-T69 WeakPolarHBondContact O-CG2 3.19Å; Q66-T69 PolarHBondContact O-OG1 3.27Å; Q66-T69 VanDerWaalsContact O-OG1 3.07Å; Q66-K71 PolarHBondContact O-NZ 2.98Å; Q66-I157 WeakPolarHBondContact CA-O 3.3Å; Q66-I157 HydrophobicContact CG-CB 4.35Å; Q66-D195 VanDerWaalsContact CD-O 3.24Å; Q66-D195 PolarHBondContact NE2-O 3.48Å; Q66-D195 PolarHBondContact OE1-O 3.41Å; Q66-D195 VanDerWaalsContact OE1-O 3.13Å; Q66-S197 VanDerWaalsContact NE2-N 3.18Å; Q66-S197 PolarHBondContact NE2-OG 2.89Å; Q66-F200 HydrophobicContact CG-CD1 3.79Å; Q66-F200 HydrophobicContact CG-CE1 4.28Å; Q66-F200 HydrophobicContact CG-CG 4.37Å
67Y86.9Confident92.8Very high63 Ų6322.5 Ų22.525%0.24711%0.112CC..THydrogen-bonded Turntrans-60.1145.1175-76.6-85.9000111.9T69 P92 G156 I157 L158Y67-T69 PolarHBondContact O-N 3.49Å; Y67-P92 HydrophobicContact CD1-CB 3.8Å; Y67-P92 HydrophobicContact CD1-CG 4.14Å; Y67-P92 HydrophobicContact CE1-CB 3.55Å; Y67-P92 HydrophobicContact CE1-CG 4.25Å; Y67-G156 WeakPolarHBondContact CE2-O 3.43Å; Y67-G156 VanDerWaalsContact CZ-C 3.5Å; Y67-G156 PolarHBondContact OH-O 3.29Å; Y67-I157 WeakPolarHBondContact CD2-O 3.33Å; Y67-I157 VanDerWaalsContact CE2-C 3.47Å; Y67-I157 PolarHBondContact N-O 3Å; Y67-L158 HydrophobicContact CD2-CD2 3.68Å; Y67-L158 HydrophobicContact CD2-CG 4.24Å; Y67-L158 HydrophobicContact CE1-CD2 4.35Å; Y67-L158 HydrophobicContact CE2-CB 4.02Å; Y67-L158 HydrophobicContact CE2-CD2 2.98Å; Y67-L158 HydrophobicContact CE2-CG 3.31Å; Y67-L158 WeakPolarHBondContact OH-CD2 3.47Å
68S87.1Confident93Very high60 Ų6021.6 Ų21.642%0.4211%0.107SC..THydrogen-bonded Turntrans62.310.8174.6-122.10000115.5G70 K220S68-G70 PolarHBondContact O-N 3.39Å; S68-K220 VanDerWaalsContact O-CE 3.3Å; S68-K220 WeakPolarHBondContact O-CE 3.46Å; S68-K220 PolarHBondContact O-NZ 2.86Å
69T91.3Very high93Very high5 Ų518.2 Ų18.23%0.0319%0.093CC..SBendtrans-72-7.1175.2600000114Q66 Y67 D190 N219Q66-T69 HydrophobicContact CB-CG2 3.97Å; Q66-T69 WeakPolarHBondContact O-CG2 3.19Å; Q66-T69 PolarHBondContact O-OG1 3.27Å; Q66-T69 VanDerWaalsContact O-OG1 3.07Å; Y67-T69 PolarHBondContact O-N 3.49Å; T69-D190 HydrophobicContact CG2-CB 4.28Å; T69-N219 PolarHBondContact O-ND2 3.17Å
70G91.7Very high92.8Very high13 Ų1324.4 Ų24.413%0.13412%0.121CC..SBendtrans95.121.6173.800000115.7S68 S73 F74S68-G70 PolarHBondContact O-N 3.39Å; G70-S73 PolarHBondContact O-N 3.46Å; G70-F74 VanDerWaalsContact O-CB 3.28Å; G70-F74 WeakPolarHBondContact O-CB 3.39Å; G70-F74 PolarHBondContact O-N 3.4Å
71K94.1Very high92.5Very high14 Ų1427.2 Ų27.26%0.06113%0.134CC..Hα-helixtrans-53.5-57.3178.6-61.3-178.2-68.5-66.40113.3L63 G65 Q66 S73 F74 I75 D153 T154 L188L63-K71 HydrophobicContact CB-CB 4.34Å; L63-K71 HydrophobicContact CB-CD 4.41Å; L63-K71 HydrophobicContact CB-CG 4.34Å; L63-K71 HydrophobicContact CD1-CB 4.26Å; L63-K71 WeakPolarHBondContact CD1-O 3.4Å; G65-K71 PolarHBondContact O-NZ 2.95Å; Q66-K71 PolarHBondContact O-NZ 2.98Å; K71-S73 VanDerWaalsContact C-N 3.31Å; K71-S73 PolarHBondContact O-N 3.49Å; K71-F74 WeakPolarHBondContact O-CB 3.26Å; K71-F74 PolarHBondContact O-N 3.43Å; K71-F74 VanDerWaalsContact O-N 3.12Å; K71-I75 PolarHBondContact O-N 2.86Å; K71-I75 VanDerWaalsContact O-N 3.09Å; K71-D153 WeakPolarHBondContact CB-OD1 3.45Å; K71-T154 WeakPolarHBondContact CE-O 3.47Å; K71-L188 HydrophobicContact CG-CD1 4.25Å; K71-L188 HydrophobicContact CG-CD2 4.32Å
72T93.6Very high92.2Very high12 Ų1231.1 Ų31.17%0.07416%0.155CC..Hα-helixtrans-62.5-38.4179.8-48.60000111.8F74 I75 R76 F83 M86 I88 T94 D153T72-F74 VanDerWaalsContact C-N 3.35Å; T72-I75 PolarHBondContact O-N 3.32Å; T72-R76 PolarHBondContact O-N 3.27Å; T72-F83 HydrophobicContact CG2-CE1 4.25Å; T72-F83 HydrophobicContact CG2-CZ 3.84Å; T72-M86 HydrophobicContact CG2-CB 3.98Å; T72-M86 HydrophobicContact CG2-CE 4.08Å; T72-I88 HydrophobicContact CG2-CD1 4.48Å; T72-I88 HydrophobicContact CG2-CG1 3.84Å; T72-T94 PolarHBondContact OG1-OG1 3.01Å; T72-D153 WeakPolarHBondContact CB-OD2 2.94Å; T72-D153 PolarHBondContact OG1-OD2 3.38Å
73S92Very high92Very high33 Ų3331.4 Ų31.423%0.23116%0.156CC..Hα-helixtrans-65.5-37174.5-54.40000112.4G70 K71 R76 Y77G70-S73 PolarHBondContact O-N 3.46Å; K71-S73 VanDerWaalsContact C-N 3.31Å; K71-S73 PolarHBondContact O-N 3.49Å; S73-R76 PolarHBondContact O-N 3.45Å; S73-Y77 VanDerWaalsContact O-CB 3.29Å; S73-Y77 WeakPolarHBondContact O-CB 3.36Å; S73-Y77 PolarHBondContact O-N 3.01Å
74F94.9Very high91.8Very high0 Ų032.7 Ų32.70%016%0.164CC..Hα-helixtrans-64.1-41.5176.1-177.5-85.6000111L63 G70 K71 T72 Y77 L78 I186 L188 F257 L278 I282L63-F74 HydrophobicContact CD1-CB 4.47Å; L63-F74 HydrophobicContact CD1-CD1 3.9Å; L63-F74 HydrophobicContact CD2-CD1 4.07Å; L63-F74 HydrophobicContact CD2-CE1 4.14Å; G70-F74 VanDerWaalsContact O-CB 3.28Å; G70-F74 WeakPolarHBondContact O-CB 3.39Å; G70-F74 PolarHBondContact O-N 3.4Å; K71-F74 WeakPolarHBondContact O-CB 3.26Å; K71-F74 PolarHBondContact O-N 3.43Å; K71-F74 VanDerWaalsContact O-N 3.12Å; T72-F74 VanDerWaalsContact C-N 3.35Å; F74-Y77 WeakPolarHBondContact O-CB 3.38Å; F74-Y77 PolarHBondContact O-N 3.22Å; F74-L78 HydrophobicContact CD1-CD1 3.91Å; F74-L78 HydrophobicContact CD1-CG 4.11Å; F74-L78 HydrophobicContact CE1-CD1 3.41Å; F74-L78 VanDerWaalsContact CE1-CD1 3.41Å; F74-L78 HydrophobicContact CE1-CD2 4.28Å; F74-L78 HydrophobicContact CE1-CG 3.81Å; F74-L78 HydrophobicContact CZ-CD1 4.2Å; F74-L78 HydrophobicContact CZ-CD2 4.31Å; F74-L78 HydrophobicContact CZ-CG 4.31Å; F74-L78 WeakPolarHBondContact O-CG 3.43Å; F74-L78 PolarHBondContact O-N 2.83Å; F74-I186 HydrophobicContact CE1-CD1 3.83Å; F74-I186 HydrophobicContact CZ-CD1 3.98Å; F74-L188 HydrophobicContact CB-CD2 4.14Å; F74-L188 HydrophobicContact CD2-CD2 4.44Å; F74-L188 HydrophobicContact CG-CD2 4.38Å; F74-F257 HydrophobicContact CD2-CB 3.42Å; F74-F257 VanDerWaalsContact CD2-CB 3.42Å; F74-F257 HydrophobicContact CD2-CD1 4.05Å; F74-F257 HydrophobicContact CD2-CD2 4.33Å; F74-F257 AromaticContact CD2-CG 3.68Å; F74-F257 HydrophobicContact CD2-CG 3.68Å; F74-F257 HydrophobicContact CE2-CB 3.85Å; F74-F257 AromaticContact CE2-CD1 3.52Å; F74-F257 HydrophobicContact CE2-CD1 3.52Å; F74-F257 HydrophobicContact CE2-CD2 4.25Å; F74-F257 HydrophobicContact CE2-CE1 4.11Å; F74-F257 AromaticContact CE2-CG 3.6Å; F74-F257 HydrophobicContact CE2-CG 3.6Å; F74-F257 HydrophobicContact CG-CB 4.48Å; F74-L278 HydrophobicContact CE2-CD2 3.81Å; F74-L278 HydrophobicContact CZ-CD2 3.7Å; F74-I282 HydrophobicContact CZ-CD1 4.48Å
75I95.1Very high91.3Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-62.8-49.8174.2-57.8179.4000110.5L63 K71 T72 Y77 L78 L79 F83 V100 V151 D153L63-I75 HydrophobicContact CD1-CD1 3.78Å; L63-I75 HydrophobicContact CD1-CG1 3.34Å; L63-I75 HydrophobicContact CG-CG1 4.44Å; K71-I75 PolarHBondContact O-N 2.86Å; K71-I75 VanDerWaalsContact O-N 3.09Å; T72-I75 PolarHBondContact O-N 3.32Å; I75-Y77 PolarHBondContact O-N 3.47Å; I75-L78 PolarHBondContact O-N 2.9Å; I75-L79 HydrophobicContact CG2-CD1 3.8Å; I75-L79 HydrophobicContact CG2-CG 4.16Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.48Å; I75-L79 PolarHBondContact O-N 2.65Å; I75-F83 HydrophobicContact CB-CE1 3.77Å; I75-F83 HydrophobicContact CB-CZ 4.29Å; I75-F83 HydrophobicContact CD1-CZ 4.26Å; I75-F83 HydrophobicContact CG2-CD1 3.9Å; I75-F83 HydrophobicContact CG2-CE1 3.53Å; I75-F83 HydrophobicContact CG2-CZ 4.14Å; I75-V100 HydrophobicContact CD1-CG2 4.4Å; I75-V100 HydrophobicContact CG2-CG2 4.39Å; I75-V151 HydrophobicContact CD1-CG1 3.77Å; I75-V151 HydrophobicContact CG1-CG1 3.82Å; I75-D153 HydrophobicContact CD1-CB 3.48Å; I75-D153 VanDerWaalsContact CD1-CB 3.48Å
76R92.9Very high91Very high101 Ų10136.7 Ų36.738%0.38120%0.197SC..Hα-helixtrans-55.1-41.2176.3-178.1-166.2179.6175.32.7111.3T72 S73 L79 E80 Q81 D82 M86T72-R76 PolarHBondContact O-N 3.27Å; S73-R76 PolarHBondContact O-N 3.45Å; R76-L79 PolarHBondContact O-N 3.17Å; R76-E80 WeakPolarHBondContact O-CA 3.49Å; R76-E80 PolarHBondContact O-N 3.2Å; R76-Q81 PolarHBondContact O-N 3.09Å; R76-D82 VanDerWaalsContact CD-OD1 3.25Å; R76-D82 WeakPolarHBondContact CD-OD1 3.34Å; R76-D82 WeakPolarHBondContact CG-OD1 3.37Å; R76-D82 IonicContact CZ-OD1 3.57Å; R76-D82 IonicContact NE-OD1 3.83Å; R76-D82 PolarHBondContact NE-OD1 3.34Å; R76-D82 IonicContact NH2-OD1 2.73Å; R76-D82 PolarHBondContact NH2-OD1 3.28Å; R76-M86 HydrophobicContact CB-CE 3.94Å; R76-M86 HydrophobicContact CG-CE 4.17Å
77Y90.9Very high90.4Very high44 Ų4443.7 Ų43.717%0.17322%0.222CC..Hα-helixtrans-62.6-51.6177.4-175.2-119.8000111.3S73 F74 I75 L79 E80 F257 W258 E275 F279 A413S73-Y77 VanDerWaalsContact O-CB 3.29Å; S73-Y77 WeakPolarHBondContact O-CB 3.36Å; S73-Y77 PolarHBondContact O-N 3.01Å; F74-Y77 WeakPolarHBondContact O-CB 3.38Å; F74-Y77 PolarHBondContact O-N 3.22Å; I75-Y77 PolarHBondContact O-N 3.47Å; Y77-L79 VanDerWaalsContact C-N 3.3Å; Y77-L79 PolarHBondContact O-N 3.09Å; Y77-E80 PolarHBondContact O-N 3.09Å; Y77-E80 VanDerWaalsContact O-N 3.16Å; Y77-F257 HydrophobicContact CD1-CB 3.95Å; Y77-F257 HydrophobicContact CE1-CB 4.31Å; Y77-F257 HydrophobicContact CE1-CD1 4.37Å; Y77-W258 VanDerWaalsContact CD2-C 3.43Å; Y77-W258 VanDerWaalsContact CE2-C 3.48Å; Y77-W258 WeakPolarHBondContact CE2-O 3.48Å; Y77-E275 WeakPolarHBondContact CE1-OE1 3.26Å; Y77-E275 VanDerWaalsContact CZ-OE1 3.25Å; Y77-E275 PolarHBondContact OH-OE1 3.21Å; Y77-F279 HydrophobicContact CD1-CZ 4.07Å; Y77-F279 HydrophobicContact CE1-CE2 4.36Å; Y77-F279 AromaticContact CE1-CZ 3.63Å; Y77-F279 HydrophobicContact CE1-CZ 3.63Å; Y77-A413 WeakPolarHBondContact O-CB 3.29Å
78L91.4Very high90Very high2 Ų244.7 Ų44.71%0.0123%0.231CC..Hα-helixtrans-57.1-41.7176.9-71.9-174.2000113.2F74 I75 E80 F279 I282 A413 F414F74-L78 HydrophobicContact CD1-CD1 3.91Å; F74-L78 HydrophobicContact CD1-CG 4.11Å; F74-L78 HydrophobicContact CE1-CD1 3.41Å; F74-L78 VanDerWaalsContact CE1-CD1 3.41Å; F74-L78 HydrophobicContact CE1-CD2 4.28Å; F74-L78 HydrophobicContact CE1-CG 3.81Å; F74-L78 HydrophobicContact CZ-CD1 4.2Å; F74-L78 HydrophobicContact CZ-CD2 4.31Å; F74-L78 HydrophobicContact CZ-CG 4.31Å; F74-L78 WeakPolarHBondContact O-CG 3.43Å; F74-L78 PolarHBondContact O-N 2.83Å; I75-L78 PolarHBondContact O-N 2.9Å; L78-E80 VanDerWaalsContact C-N 3.34Å; L78-F279 HydrophobicContact CD2-CD1 4Å; L78-F279 HydrophobicContact CD2-CE1 3.36Å; L78-F279 HydrophobicContact CD2-CZ 3.74Å; L78-I282 HydrophobicContact CD1-CD1 4.39Å; L78-A413 PolarHBondContact O-N 3.45Å; L78-A413 VanDerWaalsContact O-N 3.13Å; L78-F414 HydrophobicContact CB-CE2 4.4Å; L78-F414 HydrophobicContact CD2-CE1 4.42Å; L78-F414 HydrophobicContact CD2-CE2 4.15Å; L78-F414 HydrophobicContact CD2-CZ 3.73Å
79L90.6Very high89.2Confident4 Ų443 Ų432%0.02122%0.223CC..Hα-helixtrans-80.2-16.2-177.7-61.8-175.9000113.4I75 R76 Y77 Q81 F83 V100 N143 V145 L146I75-L79 HydrophobicContact CG2-CD1 3.8Å; I75-L79 HydrophobicContact CG2-CG 4.16Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.48Å; I75-L79 PolarHBondContact O-N 2.65Å; R76-L79 PolarHBondContact O-N 3.17Å; Y77-L79 VanDerWaalsContact C-N 3.3Å; Y77-L79 PolarHBondContact O-N 3.09Å; L79-Q81 HydrophobicContact CB-CB 4.3Å; L79-Q81 PolarHBondContact O-N 3.25Å; L79-Q81 VanDerWaalsContact O-N 3.08Å; L79-F83 HydrophobicContact CD1-CB 4.48Å; L79-F83 HydrophobicContact CD1-CD1 4.32Å; L79-V100 HydrophobicContact CD1-CG1 4.03Å; L79-N143 PolarHBondContact O-ND2 2.98Å; L79-N143 VanDerWaalsContact O-ND2 3.15Å; L79-V145 HydrophobicContact CD2-CB 3.69Å; L79-V145 HydrophobicContact CD2-CG1 3.74Å; L79-V145 HydrophobicContact CD2-CG2 4.3Å; L79-L146 HydrophobicContact CD1-CD1 4.34Å; L79-L146 HydrophobicContact CD2-CD1 4.36Å; L79-L146 HydrophobicContact CD2-CD2 3.89Å; L79-L146 HydrophobicContact CD2-CG 3.85Å
80E88.1Confident87.6Confident138 Ų13848.7 Ų48.765%0.64526%0.26SS*.THydrogen-bonded Turntrans46.928.5-164.3-65-176160.700113.5R76 Y77 L78 G412 A413R76-E80 WeakPolarHBondContact O-CA 3.49Å; R76-E80 PolarHBondContact O-N 3.2Å; Y77-E80 PolarHBondContact O-N 3.09Å; Y77-E80 VanDerWaalsContact O-N 3.16Å; L78-E80 VanDerWaalsContact C-N 3.34Å; E80-G412 VanDerWaalsContact CD-C 3.4Å; E80-A413 HydrophobicContact CG-CB 4.32Å
81Q88.9Confident86.2Confident62 Ų6255.2 Ų55.229%0.2929%0.287SS..SBendtrans-152144.7-171.6-165.4-174.9-9.200109.6R76 L79 E106 L141 N143R76-Q81 PolarHBondContact O-N 3.09Å; L79-Q81 HydrophobicContact CB-CB 4.3Å; L79-Q81 PolarHBondContact O-N 3.25Å; L79-Q81 VanDerWaalsContact O-N 3.08Å; Q81-E106 PolarHBondContact NE2-OE1 2.88Å; Q81-L141 HydrophobicContact CG-CD1 4.46Å; Q81-N143 PolarHBondContact OE1-ND2 3.04Å
82D91.9Very high84.7Confident84 Ų8459 Ų5945%0.44931%0.313SS..  trans-71.7148.4168.6-70.9-7.5000110.1R76 M86R76-D82 VanDerWaalsContact CD-OD1 3.25Å; R76-D82 WeakPolarHBondContact CD-OD1 3.34Å; R76-D82 WeakPolarHBondContact CG-OD1 3.37Å; R76-D82 IonicContact CZ-OD1 3.57Å; R76-D82 IonicContact NE-OD1 3.83Å; R76-D82 PolarHBondContact NE-OD1 3.34Å; R76-D82 IonicContact NH2-OD1 2.73Å; R76-D82 PolarHBondContact NH2-OD1 3.28Å; D82-M86 WeakPolarHBondContact CA-SD 3.34Å; D82-M86 HydrophobicContact CB-SD 3.49Å; D82-M86 WeakPolarHBondContact CB-SD 3.16Å
83F94.1Very high83.2Confident6 Ų660.5 Ų60.53%0.02632%0.322CS..  trans-123.2149.5178.962.3-89.1000112.3T72 I75 L79 G85 M86 I98 V100 A139 L141T72-F83 HydrophobicContact CG2-CE1 4.25Å; T72-F83 HydrophobicContact CG2-CZ 3.84Å; I75-F83 HydrophobicContact CB-CE1 3.77Å; I75-F83 HydrophobicContact CB-CZ 4.29Å; I75-F83 HydrophobicContact CD1-CZ 4.26Å; I75-F83 HydrophobicContact CG2-CD1 3.9Å; I75-F83 HydrophobicContact CG2-CE1 3.53Å; I75-F83 HydrophobicContact CG2-CZ 4.14Å; L79-F83 HydrophobicContact CD1-CB 4.48Å; L79-F83 HydrophobicContact CD1-CD1 4.32Å; F83-G85 PolarHBondContact O-N 3.23Å; F83-M86 HydrophobicContact CD1-CB 4.15Å; F83-M86 HydrophobicContact CD1-CE 4.41Å; F83-M86 HydrophobicContact CD1-SD 4.09Å; F83-M86 HydrophobicContact CD2-CB 3.87Å; F83-M86 HydrophobicContact CE1-CB 3.88Å; F83-M86 HydrophobicContact CE1-CE 4.12Å; F83-M86 HydrophobicContact CE1-SD 4.32Å; F83-M86 HydrophobicContact CE2-CB 3.59Å; F83-M86 HydrophobicContact CG-CB 4.15Å; F83-M86 HydrophobicContact CZ-CB 3.61Å; F83-M86 PolarHBondContact N-SD 3.49Å; F83-M86 VanDerWaalsContact O-CB 3.32Å; F83-M86 WeakPolarHBondContact O-CB 3.28Å; F83-M86 WeakPolarHBondContact O-CG 3.46Å; F83-M86 PolarHBondContact O-N 3.39Å; F83-I98 HydrophobicContact CE2-CD1 4.37Å; F83-I98 HydrophobicContact CE2-CG2 4.11Å; F83-V100 HydrophobicContact CB-CG1 4.25Å; F83-V100 HydrophobicContact CD2-CG1 4.39Å; F83-V100 HydrophobicContact CD2-CG2 3.71Å; F83-V100 HydrophobicContact CE2-CG2 3.65Å; F83-V100 HydrophobicContact CG-CG1 4.25Å; F83-V100 HydrophobicContact CG-CG2 4.26Å; F83-V100 HydrophobicContact CZ-CG2 4.15Å; F83-A139 HydrophobicContact CD2-CB 4.15Å; F83-L141 HydrophobicContact CB-CD1 4.03Å; F83-L141 HydrophobicContact CB-CD2 3.99Å
84P92.7Very high81.8Confident26 Ų2659.6 Ų59.617%0.16932%0.315CS..THydrogen-bonded Turntrans-56.9135-177.5-27.936.3000113.3M86 E106 V108 A139P84-M86 VanDerWaalsContact C-N 3.27Å; P84-M86 PolarHBondContact O-N 3.41Å; P84-E106 HydrophobicContact CG-CB 4.21Å; P84-V108 HydrophobicContact CB-CG2 3.48Å; P84-V108 VanDerWaalsContact CB-CG2 3.48Å; P84-A139 HydrophobicContact CB-CB 4.44Å; P84-A139 WeakPolarHBondContact O-CB 3.31Å
85G85Confident81Confident49 Ų4963.9 Ų63.951%0.50534%0.338SS..THydrogen-bonded Turntrans80.7-0.8179.100000115.1F83F83-G85 PolarHBondContact O-N 3.23Å
86M86.5Confident80.7Confident35 Ų3564.9 Ų64.917%0.17235%0.345CS..  trans-65.6144.8174.577180-61.600112T72 R76 D82 F83 P84 I88T72-M86 HydrophobicContact CG2-CB 3.98Å; T72-M86 HydrophobicContact CG2-CE 4.08Å; R76-M86 HydrophobicContact CB-CE 3.94Å; R76-M86 HydrophobicContact CG-CE 4.17Å; D82-M86 WeakPolarHBondContact CA-SD 3.34Å; D82-M86 HydrophobicContact CB-SD 3.49Å; D82-M86 WeakPolarHBondContact CB-SD 3.16Å; F83-M86 HydrophobicContact CD1-CB 4.15Å; F83-M86 HydrophobicContact CD1-CE 4.41Å; F83-M86 HydrophobicContact CD1-SD 4.09Å; F83-M86 HydrophobicContact CD2-CB 3.87Å; F83-M86 HydrophobicContact CE1-CB 3.88Å; F83-M86 HydrophobicContact CE1-CE 4.12Å; F83-M86 HydrophobicContact CE1-SD 4.32Å; F83-M86 HydrophobicContact CE2-CB 3.59Å; F83-M86 HydrophobicContact CG-CB 4.15Å; F83-M86 HydrophobicContact CZ-CB 3.61Å; F83-M86 PolarHBondContact N-SD 3.49Å; F83-M86 VanDerWaalsContact O-CB 3.32Å; F83-M86 WeakPolarHBondContact O-CB 3.28Å; F83-M86 WeakPolarHBondContact O-CG 3.46Å; F83-M86 PolarHBondContact O-N 3.39Å; P84-M86 VanDerWaalsContact C-N 3.27Å; P84-M86 PolarHBondContact O-N 3.41Å; M86-I88 HydrophobicContact CE-CD1 3.39Å; M86-I88 HydrophobicContact CE-CG1 3.86Å
87R79.1Confident80.8Confident167 Ų16760 Ų6063%0.6333%0.327SS*.  trans-138.6120.1171.3-64.5-175.7178.2-176.10108.9T93R87-T93 HydrophobicContact CB-CG2 4.4Å
88I77.9Confident81Confident84 Ų8458.3 Ų58.343%0.43132%0.32SS..  trans-113.4123.3175-61.7173.6000107.8T72 M86T72-I88 HydrophobicContact CG2-CD1 4.48Å; T72-I88 HydrophobicContact CG2-CG1 3.84Å; M86-I88 HydrophobicContact CE-CD1 3.39Å; M86-I88 HydrophobicContact CE-CG1 3.86Å
89G69.8Low81.3Confident25 Ų2558.2 Ų58.226%0.25832%0.32SS..  trans-167.2163.6175.500000112.3E91G89-E91 VanDerWaalsContact C-N 3.25Å; G89-E91 PolarHBondContact O-N 3.49Å
90P57.9Low81.6Confident123 Ų12358 Ų5880%0.79932%0.319SS*.SBendtrans-69.2-24.7-179.127.5-33.7000112.7
91E63.6Low82Confident151 Ų15152.2 Ų52.271%0.70629%0.292SS*.SBendtrans-85.6163.4175.8-65-174.5176.600111.9G89 T93G89-E91 VanDerWaalsContact C-N 3.25Å; G89-E91 PolarHBondContact O-N 3.49Å; E91-T93 WeakPolarHBondContact O-CG2 3.4Å; E91-T93 PolarHBondContact O-N 2.94Å; E91-T93 PolarHBondContact O-OG1 2.77Å; E91-T93 VanDerWaalsContact O-OG1 3.13Å
92P62.4Low82.4Confident92 Ų9251.5 Ų51.560%0.59729%0.288SS*.SBendtrans-5494.7172.4-26.636.7000112Y67Y67-P92 HydrophobicContact CD1-CB 3.8Å; Y67-P92 HydrophobicContact CD1-CG 4.14Å; Y67-P92 HydrophobicContact CE1-CB 3.55Å; Y67-P92 HydrophobicContact CE1-CG 4.25Å
93T61.4Low82.5Confident44 Ų4448 Ų4827%0.2727%0.272SS..  trans-101.6-39-169.130.60000112.8R87 E91R87-T93 HydrophobicContact CB-CG2 4.4Å; E91-T93 WeakPolarHBondContact O-CG2 3.4Å; E91-T93 PolarHBondContact O-N 2.94Å; E91-T93 PolarHBondContact O-OG1 2.77Å; E91-T93 VanDerWaalsContact O-OG1 3.13Å
94T63.4Low82.5Confident15 Ų1554.6 Ų54.69%0.09231%0.308CS..  trans-97.5106.3175-52.30000110T72 S96 I98T72-T94 PolarHBondContact OG1-OG1 3.01Å; T94-S96 WeakPolarHBondContact CG2-O 3.28Å; T94-I98 HydrophobicContact CG2-CD1 4.28Å
95D77.3Confident82.5Confident90 Ų9058.3 Ų58.348%0.48133%0.33SS..  trans-104.9-0.7177.369.8-14.2000113.3
96S88Confident83Confident20 Ų2061.8 Ų61.814%0.1433%0.333CS..SBendtrans-128150.4-170.5-620000111.5T94 R135T94-S96 WeakPolarHBondContact CG2-O 3.28Å; S96-R135 CarbonylContact C-O 3.55Å; S96-R135 WeakPolarHBondContact CA-O 3.31Å; S96-R135 VanDerWaalsContact CB-O 3.3Å; S96-R135 WeakPolarHBondContact CB-O 3.38Å
97F94.9Very high83.4Confident0 Ų061.4 Ų61.40%034%0.339CS..EExtended strand (participates in β ladder)trans-75.2129.8167.6-74.6-100.5000109.1F132 R135 F136 V137 D153 T154 P155 Y169 F171 V174 L175 F178F97-F132 HydrophobicContact CD2-CD2 4.39Å; F97-F132 AromaticContact CD2-CE2 3.53Å; F97-F132 HydrophobicContact CD2-CE2 3.53Å; F97-F132 HydrophobicContact CD2-CZ 4.34Å; F97-F132 HydrophobicContact CE2-CD2 4.44Å; F97-F132 AromaticContact CE2-CE2 3.74Å; F97-F132 HydrophobicContact CE2-CE2 3.74Å; F97-F132 HydrophobicContact CG-CE2 4.12Å; F97-F132 HydrophobicContact CZ-CE2 4.49Å; F97-R135 PolarHBondContact N-O 3.27Å; F97-F136 HydrophobicContact CB-CD2 3.63Å; F97-F136 HydrophobicContact CB-CE2 4.33Å; F97-F136 WeakPolarHBondContact O-CA 3.39Å; F97-V137 PolarHBondContact O-N 3.24Å; F97-D153 WeakPolarHBondContact CA-O 3.39Å; F97-T154 HydrophobicContact CD1-CG2 3.86Å; F97-T154 HydrophobicContact CE1-CG2 3.68Å; F97-P155 VanDerWaalsContact CD2-CD 3.49Å; F97-P155 HydrophobicContact CD2-CG 3.74Å; F97-P155 HydrophobicContact CE2-CG 3.85Å; F97-P155 HydrophobicContact CG-CG 4.36Å; F97-Y169 AromaticContact CE2-CE2 3.84Å; F97-Y169 HydrophobicContact CE2-CE2 3.84Å; F97-F171 HydrophobicContact CE1-CE2 4.3Å; F97-F171 AromaticContact CE2-CD2 3.84Å; F97-F171 HydrophobicContact CE2-CD2 3.84Å; F97-F171 AromaticContact CE2-CE2 3.73Å; F97-F171 HydrophobicContact CE2-CE2 3.73Å; F97-F171 AromaticContact CZ-CD2 3.66Å; F97-F171 HydrophobicContact CZ-CD2 3.66Å; F97-F171 AromaticContact CZ-CE2 3.35Å; F97-F171 HydrophobicContact CZ-CE2 3.35Å; F97-F171 HydrophobicContact CZ-CZ 4.31Å; F97-V174 HydrophobicContact CD1-CG1 4.46Å; F97-V174 HydrophobicContact CE1-CG1 3.8Å; F97-V174 HydrophobicContact CE2-CG1 4Å; F97-V174 HydrophobicContact CZ-CB 4.25Å; F97-V174 HydrophobicContact CZ-CG1 3.53Å; F97-L175 HydrophobicContact CE1-CD2 3.88Å; F97-L175 HydrophobicContact CZ-CD2 4.32Å; F97-F178 HydrophobicContact CD1-CD2 4.42Å; F97-F178 AromaticContact CD1-CE2 3.84Å; F97-F178 HydrophobicContact CD1-CE2 3.84Å; F97-F178 HydrophobicContact CE1-CD2 4.27Å; F97-F178 HydrophobicContact CE1-CE2 4.07Å
98I96.3Very high84.2Confident7 Ų756.9 Ų56.94%0.03633%0.329CS..EExtended strand (participates in β ladder)trans-120.9110.3-178.9-50.2179.4000108.8F83 T94 V100 V137 A139 I152 D153F83-I98 HydrophobicContact CE2-CD1 4.37Å; F83-I98 HydrophobicContact CE2-CG2 4.11Å; T94-I98 HydrophobicContact CG2-CD1 4.28Å; I98-V100 HydrophobicContact CG2-CG2 3.89Å; I98-V100 PolarHBondContact O-N 3.44Å; I98-V137 CarbonylContact C-O 3.53Å; I98-V137 WeakPolarHBondContact CA-O 3.41Å; I98-V137 HydrophobicContact CB-CG2 4.19Å; I98-V137 HydrophobicContact CG1-CG2 3.78Å; I98-V137 HydrophobicContact CG2-CG2 4.09Å; I98-A139 HydrophobicContact CG2-CB 3.81Å; I98-I152 WeakPolarHBondContact O-CA 3.41Å; I98-D153 HydrophobicContact CB-CB 4.08Å; I98-D153 PolarHBondContact N-O 2.74Å; I98-D153 PolarHBondContact O-N 2.9Å
99A97.2Very high85.1Confident0 Ų055.1 Ų55.10%032%0.32CS..EExtended strand (participates in β ladder)trans-83.197.7169.500000109.6M101 F122 F136 V137 C138 A139 I152A99-M101 HydrophobicContact CB-CG 4.42Å; A99-M101 PolarHBondContact O-N 3.25Å; A99-F122 HydrophobicContact CB-CE2 4.04Å; A99-F122 HydrophobicContact CB-CZ 3.83Å; A99-F136 HydrophobicContact CB-CE2 4.09Å; A99-F136 HydrophobicContact CB-CZ 4.32Å; A99-V137 PolarHBondContact N-O 3.11Å; A99-C138 HydrophobicContact CB-CB 4.24Å; A99-C138 CarbonylContact O-C 3.58Å; A99-C138 WeakPolarHBondContact O-CA 3.4Å; A99-C138 PolarHBondContact O-SG 3.47Å; A99-A139 PolarHBondContact O-N 3.19Å; A99-I152 HydrophobicContact CB-CD1 3.67Å
100V97.6Very high86.3Confident0 Ų057.7 Ų57.70%033%0.333CS..EExtended strand (participates in β ladder)trans-82.1111.6176.3-169.70000108.6I75 L79 F83 I98 A139 L141 L146 V151I75-V100 HydrophobicContact CD1-CG2 4.4Å; I75-V100 HydrophobicContact CG2-CG2 4.39Å; L79-V100 HydrophobicContact CD1-CG1 4.03Å; F83-V100 HydrophobicContact CB-CG1 4.25Å; F83-V100 HydrophobicContact CD2-CG1 4.39Å; F83-V100 HydrophobicContact CD2-CG2 3.71Å; F83-V100 HydrophobicContact CE2-CG2 3.65Å; F83-V100 HydrophobicContact CG-CG1 4.25Å; F83-V100 HydrophobicContact CG-CG2 4.26Å; F83-V100 HydrophobicContact CZ-CG2 4.15Å; I98-V100 HydrophobicContact CG2-CG2 3.89Å; I98-V100 PolarHBondContact O-N 3.44Å; V100-A139 WeakPolarHBondContact CA-O 3.2Å; V100-A139 HydrophobicContact CG2-CB 4.45Å; V100-L141 HydrophobicContact CG1-CD2 3.91Å; V100-L146 HydrophobicContact CG1-CD1 3.87Å; V100-L146 HydrophobicContact CG1-CD2 4.14Å; V100-V151 WeakPolarHBondContact CA-O 3.44Å; V100-V151 PolarHBondContact N-O 3.11Å; V100-V151 PolarHBondContact O-N 3.03Å
101M96.4Very high88Confident17 Ų1751.9 Ų51.98%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-133160.8-173.6-55.6-170.789.300110.8A99 K120 F122 A139 Q140 L141A99-M101 HydrophobicContact CB-CG 4.42Å; A99-M101 PolarHBondContact O-N 3.25Å; M101-K120 HydrophobicContact CE-CD 4.27Å; M101-K120 HydrophobicContact SD-CD 4Å; M101-F122 HydrophobicContact CE-CE2 4.36Å; M101-F122 HydrophobicContact SD-CE2 3.7Å; M101-F122 HydrophobicContact SD-CZ 4.18Å; M101-A139 PolarHBondContact N-O 3.43Å; M101-Q140 VanDerWaalsContact O-CA 3.31Å; M101-Q140 WeakPolarHBondContact O-CA 3.46Å; M101-L141 PolarHBondContact O-N 3Å
102H96Very high89.4Confident46 Ų4647.8 Ų47.821%0.21328%0.278CS..EExtended strand (participates in β ladder)trans-67.9142.2171.6-178.590.3000111.3L146 E147H102-L146 HydrophobicContact CB-CB 3.74Å; H102-L146 WeakPolarHBondContact CB-O 3.39Å; H102-E147 VanDerWaalsContact CE1-CG 3.43Å; H102-E147 WeakPolarHBondContact CE1-CG 3.4Å; H102-E147 IonicContact CE1-OE1 3.57Å; H102-E147 WeakPolarHBondContact ND1-CG 3.4Å
103G94.6Very high90.9Very high10 Ų1045.9 Ų45.910%0.10327%0.269CS..  trans-153.6154.4164.600000110T105 L141 P142G103-T105 PolarHBondContact O-N 3.3Å; G103-L141 PolarHBondContact N-O 3.01Å; G103-L141 CarbonylContact O-C 3.48Å; G103-P142 VanDerWaalsContact O-CA 3.28Å; G103-P142 WeakPolarHBondContact O-CA 2.99Å; G103-P142 WeakPolarHBondContact O-CD 3.32Å
104D93.8Very high92.4Very high145 Ų14543.8 Ų43.878%0.77526%0.257SS*.SBendtrans-65.5-22.1-177.2-56.3-49000112.6
105T93.3Very high93.9Very high105 Ų10543.6 Ų43.664%0.64426%0.256SS*.SBendtrans-132.7147.7179.957.50000110.7G103 G107G103-T105 PolarHBondContact O-N 3.3Å; T105-G107 PolarHBondContact O-N 3.46Å
106E95.9Very high94.6Very high121 Ų12143.9 Ų43.957%0.56526%0.26SS*.  trans-65.7132.6172.5-66.4-170.7171.800111.6Q81 P84 Q140 L141Q81-E106 PolarHBondContact NE2-OE1 2.88Å; P84-E106 HydrophobicContact CG-CB 4.21Å; E106-Q140 CarbonylContact C-O 3.25Å; E106-Q140 VanDerWaalsContact CA-O 3.24Å; E106-Q140 WeakPolarHBondContact CA-O 3.39Å; E106-L141 HydrophobicContact CG-CB 3.87Å
107G95.3Very high94.6Very high28 Ų2845.3 Ų45.329%0.28927%0.266SS..EExtended strand (participates in β ladder)trans-176.2168.4179.500000114.2T105 Q140T105-G107 PolarHBondContact O-N 3.46Å; G107-Q140 PolarHBondContact N-O 3.49Å; G107-Q140 PolarHBondContact O-N 2.77Å
108V95.8Very high94.3Very high72 Ų7249.2 Ų49.244%0.43629%0.292SS..EExtended strand (participates in β ladder)trans-123.4128.3174.4-178.90000109.3P84 V137 C138P84-V108 HydrophobicContact CB-CG2 3.48Å; P84-V108 VanDerWaalsContact CB-CG2 3.48Å; V108-V137 HydrophobicContact CG1-CB 3.92Å; V108-V137 HydrophobicContact CG1-CG1 4.24Å; V108-C138 CarbonylContact C-O 3.22Å; V108-C138 WeakPolarHBondContact CA-O 3.49Å
109I95.2Very high93.9Very high47 Ų4757.5 Ų57.524%0.24133%0.327CS..EExtended strand (participates in β ladder)trans-105.4118.7174.2-53.5179000108.5A113 L114 V137 C138I109-A113 HydrophobicContact CG2-CB 3.97Å; I109-L114 HydrophobicContact CG2-CB 4.21Å; I109-L114 HydrophobicContact CG2-CD1 4.5Å; I109-V137 WeakPolarHBondContact O-CA 3.23Å; I109-C138 HydrophobicContact CB-CB 4.31Å; I109-C138 PolarHBondContact N-O 3.33Å; I109-C138 PolarHBondContact O-N 3.08Å
110P95.7Very high93.5Very high79 Ų7959 Ų5951%0.51333%0.334SS..EExtended strand (participates in β ladder)trans-63.4148.3175.3-22.433.6000112.6N112 A113 L114P110-N112 VanDerWaalsContact C-N 3.3Å; P110-N112 PolarHBondContact O-N 2.86Å; P110-A113 WeakPolarHBondContact O-CB 3.49Å; P110-A113 PolarHBondContact O-N 2.89Å; P110-L114 PolarHBondContact O-N 3.09Å
111G93.9Very high93.1Very high0 Ų059.4 Ų59.40%034%0.337CS..Hα-helixtrans-54.8-40.4-175.900000114.1A113 L114 V115 F136G111-A113 VanDerWaalsContact C-N 3.26Å; G111-A113 PolarHBondContact O-N 3.48Å; G111-L114 PolarHBondContact O-N 3.43Å; G111-L114 VanDerWaalsContact O-N 3.07Å; G111-V115 WeakPolarHBondContact O-CG1 3.31Å; G111-V115 WeakPolarHBondContact O-CG2 3.32Å; G111-V115 PolarHBondContact O-N 2.85Å; G111-F136 WeakPolarHBondContact CA-O 3.49Å; G111-F136 PolarHBondContact N-O 3.44Å
112N93.3Very high93Very high66 Ų6658.6 Ų58.635%0.35333%0.333SS..Hα-helixtrans-59.4-34.9176.6-66.8-40.1000113.1P110 L133 N134P110-N112 VanDerWaalsContact C-N 3.3Å; P110-N112 PolarHBondContact O-N 2.86Å; N112-L133 WeakPolarHBondContact OD1-CB 3.44Å; N112-L133 VanDerWaalsContact OD1-CD1 3.3Å; N112-L133 WeakPolarHBondContact OD1-CD1 3.14Å; N112-N134 PolarHBondContact ND2-OD1 3.44Å; N112-N134 VanDerWaalsContact ND2-OD1 3.12Å
113A94.1Very high92.8Very high51 Ų5161.1 Ų61.142%0.42134%0.34SS..Hα-helixtrans-81.9-31.2175.100000111.7I109 P110 G111 V116I109-A113 HydrophobicContact CG2-CB 3.97Å; P110-A113 WeakPolarHBondContact O-CB 3.49Å; P110-A113 PolarHBondContact O-N 2.89Å; G111-A113 VanDerWaalsContact C-N 3.26Å; G111-A113 PolarHBondContact O-N 3.48Å; A113-V116 WeakPolarHBondContact O-CG2 3.37Å; A113-V116 PolarHBondContact O-N 2.91Å
114L93.1Very high92.6Very high1 Ų163.6 Ų63.61%0.00535%0.348CS..Hα-helixtrans-69.5-38-178.9-172.662.9000112.7I109 P110 G111 V116 D117 K120 F122 F136 C138I109-L114 HydrophobicContact CG2-CB 4.21Å; I109-L114 HydrophobicContact CG2-CD1 4.5Å; P110-L114 PolarHBondContact O-N 3.09Å; G111-L114 PolarHBondContact O-N 3.43Å; G111-L114 VanDerWaalsContact O-N 3.07Å; L114-V116 PolarHBondContact O-N 3.19Å; L114-D117 PolarHBondContact O-N 3.5Å; L114-K120 HydrophobicContact CD1-CB 4.22Å; L114-K120 HydrophobicContact CD1-CG 3.97Å; L114-F122 HydrophobicContact CD1-CD2 3.92Å; L114-F122 HydrophobicContact CD1-CE2 4.46Å; L114-F122 HydrophobicContact CD2-CB 4.48Å; L114-F122 HydrophobicContact CD2-CD2 3.58Å; L114-F122 HydrophobicContact CD2-CE2 4.1Å; L114-F122 HydrophobicContact CD2-CG 4.23Å; L114-F122 HydrophobicContact CG-CB 4.26Å; L114-F122 HydrophobicContact CG-CD2 3.67Å; L114-F122 HydrophobicContact CG-CE2 4.49Å; L114-F122 HydrophobicContact CG-CG 4.36Å; L114-F136 HydrophobicContact CD2-CD1 4.15Å; L114-F136 HydrophobicContact CD2-CE1 3.41Å; L114-F136 VanDerWaalsContact CD2-CE1 3.41Å; L114-F136 HydrophobicContact CD2-CE2 4.48Å; L114-F136 HydrophobicContact CD2-CZ 3.6Å; L114-F136 HydrophobicContact CG-CE1 4.33Å; L114-C138 HydrophobicContact CD1-CB 3.83Å; L114-C138 HydrophobicContact CD2-CB 3.49Å; L114-C138 VanDerWaalsContact CD2-CB 3.49Å; L114-C138 HydrophobicContact CG-CB 4.28Å
115V93.4Very high92.5Very high11 Ų1156.7 Ų56.77%0.06731%0.311CS..THydrogen-bonded Turntrans-73.9-8.4-179.2-60.70000114.1G111 F122 R123 L125 N126 L133G111-V115 WeakPolarHBondContact O-CG1 3.31Å; G111-V115 WeakPolarHBondContact O-CG2 3.32Å; G111-V115 PolarHBondContact O-N 2.85Å; V115-F122 WeakPolarHBondContact CG1-O 3.38Å; V115-R123 VanDerWaalsContact O-CA 3.3Å; V115-R123 WeakPolarHBondContact O-CA 3.25Å; V115-R123 WeakPolarHBondContact O-CB 3.49Å; V115-R123 VanDerWaalsContact O-CG 3.3Å; V115-R123 WeakPolarHBondContact O-CG 3.32Å; V115-L125 HydrophobicContact CG1-CB 4.13Å; V115-N126 HydrophobicContact CG2-CB 4.42Å; V115-L133 HydrophobicContact CG1-CD2 3.53Å; V115-L133 HydrophobicContact CG2-CD1 4.16Å; V115-L133 HydrophobicContact CG2-CD2 4.35Å
116V91.9Very high92.3Very high96 Ų9656.3 Ų56.358%0.58231%0.305SS*.THydrogen-bonded Turntrans-92.9-15.1173.8-62.10000113A113 L114 P118A113-V116 WeakPolarHBondContact O-CG2 3.37Å; A113-V116 PolarHBondContact O-N 2.91Å; L114-V116 PolarHBondContact O-N 3.19Å; V116-P118 WeakPolarHBondContact O-CD 3.38Å
117D89.8Confident92.1Very high49 Ų4955 Ų5526%0.26232%0.315SS..  trans-74.5115.7-179.8-173.3-11.2000111.4L114 K119 K120L114-D117 PolarHBondContact O-N 3.5Å; D117-K119 PolarHBondContact O-N 2.78Å; D117-K119 WeakPolarHBondContact OD1-CB 3.14Å; D117-K119 PolarHBondContact OD1-N 3.18Å; D117-K120 HydrophobicContact CB-CB 4.28Å; D117-K120 HydrophobicContact CB-CG 4.04Å; D117-K120 PolarHBondContact O-N 3.41Å; D117-K120 WeakPolarHBondContact OD2-CG 3.21Å
118P87.3Confident91.9Very high82 Ų8256 Ų5653%0.53231%0.312SS..THydrogen-bonded Turntrans-70.5-14.2179.231.1-36.5000114.1V116 K120V116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-K120 VanDerWaalsContact C-N 3.35Å
119K87.6Confident91.6Very high181 Ų18154 Ų5479%0.78731%0.305SS*.THydrogen-bonded Turntrans-86.7-8.7178.6-61.4-178.3177.9-179.90112.7D117D117-K119 PolarHBondContact O-N 2.78Å; D117-K119 WeakPolarHBondContact OD1-CB 3.14Å; D117-K119 PolarHBondContact OD1-N 3.18Å
120K89.6Confident91.4Very high31 Ų3157 Ų5714%0.13532%0.322CS..SBendtrans-109.7139.1-177.4-62-70-170.9172.30109.9M101 L114 D117 P118 F122 Q140M101-K120 HydrophobicContact CE-CD 4.27Å; M101-K120 HydrophobicContact SD-CD 4Å; L114-K120 HydrophobicContact CD1-CB 4.22Å; L114-K120 HydrophobicContact CD1-CG 3.97Å; D117-K120 HydrophobicContact CB-CB 4.28Å; D117-K120 HydrophobicContact CB-CG 4.04Å; D117-K120 PolarHBondContact O-N 3.41Å; D117-K120 WeakPolarHBondContact OD2-CG 3.21Å; P118-K120 VanDerWaalsContact C-N 3.35Å; K120-F122 HydrophobicContact CB-CD2 3.93Å; K120-F122 PolarHBondContact O-N 2.71Å; K120-Q140 VanDerWaalsContact NZ-NE2 3.16Å
121P90.3Very high91.2Very high9 Ų955.3 Ų55.36%0.05831%0.314CS..THydrogen-bonded Turntrans-77.627.4-174.634.5-37.8000113A53 N57 M60 W177A53-P121 HydrophobicContact CB-CB 4.33Å; N57-P121 HydrophobicContact CB-CG 4.18Å; M60-P121 HydrophobicContact SD-CG 4.4Å; P121-W177 VanDerWaalsContact O-CH2 3.25Å; P121-W177 WeakPolarHBondContact O-CH2 3.35Å
122F93.7Very high91.1Very high1 Ų155.3 Ų55.30%0.00431%0.314CS..THydrogen-bonded Turntrans-111.6-5-168.2-60.1-49.6000114.3M60 A99 M101 L114 V115 K120 K124 L125 F136 I152 W177 F178M60-F122 HydrophobicContact SD-CE1 4.37Å; M60-F122 HydrophobicContact SD-CZ 4.44Å; A99-F122 HydrophobicContact CB-CE2 4.04Å; A99-F122 HydrophobicContact CB-CZ 3.83Å; M101-F122 HydrophobicContact CE-CE2 4.36Å; M101-F122 HydrophobicContact SD-CE2 3.7Å; M101-F122 HydrophobicContact SD-CZ 4.18Å; L114-F122 HydrophobicContact CD1-CD2 3.92Å; L114-F122 HydrophobicContact CD1-CE2 4.46Å; L114-F122 HydrophobicContact CD2-CB 4.48Å; L114-F122 HydrophobicContact CD2-CD2 3.58Å; L114-F122 HydrophobicContact CD2-CE2 4.1Å; L114-F122 HydrophobicContact CD2-CG 4.23Å; L114-F122 HydrophobicContact CG-CB 4.26Å; L114-F122 HydrophobicContact CG-CD2 3.67Å; L114-F122 HydrophobicContact CG-CE2 4.49Å; L114-F122 HydrophobicContact CG-CG 4.36Å; V115-F122 WeakPolarHBondContact CG1-O 3.38Å; K120-F122 HydrophobicContact CB-CD2 3.93Å; K120-F122 PolarHBondContact O-N 2.71Å; F122-K124 PolarHBondContact O-N 3.39Å; F122-K124 VanDerWaalsContact O-N 3.11Å; F122-L125 HydrophobicContact CB-CD1 4.05Å; F122-L125 HydrophobicContact CD1-CD1 3.93Å; F122-L125 HydrophobicContact CG-CD1 4.34Å; F122-L125 VanDerWaalsContact O-CB 3.22Å; F122-L125 WeakPolarHBondContact O-CB 3.26Å; F122-L125 PolarHBondContact O-N 2.76Å; F122-F136 HydrophobicContact CB-CE1 4.05Å; F122-F136 HydrophobicContact CB-CZ 4.33Å; F122-F136 HydrophobicContact CD1-CE1 4.38Å; F122-F136 AromaticContact CD1-CZ 3.84Å; F122-F136 HydrophobicContact CD1-CZ 3.84Å; F122-F136 HydrophobicContact CD2-CZ 4.17Å; F122-F136 HydrophobicContact CE1-CZ 4.19Å; F122-F136 HydrophobicContact CE2-CZ 4.47Å; F122-F136 HydrophobicContact CG-CE1 4.07Å; F122-F136 AromaticContact CG-CZ 3.85Å; F122-F136 HydrophobicContact CG-CZ 3.85Å; F122-F136 HydrophobicContact CZ-CZ 4.49Å; F122-I152 HydrophobicContact CE1-CD1 4.48Å; F122-I152 HydrophobicContact CZ-CD1 4.29Å; F122-W177 HydrophobicContact CD1-CH2 4.17Å; F122-W177 HydrophobicContact CD1-CZ3 4.41Å; F122-F178 HydrophobicContact CD1-CE1 4.48Å; F122-F178 HydrophobicContact CE1-CE1 4.05Å
123R91.5Very high91.1Very high98 Ų9852.2 Ų52.237%0.3730%0.298SS..G310 helixtrans-55.2-37.6-173.7-54.6-173.290.9178.52.9113.9E51 V115 L125 N126E51-R123 WeakPolarHBondContact OE2-CD 3.46Å; V115-R123 VanDerWaalsContact O-CA 3.3Å; V115-R123 WeakPolarHBondContact O-CA 3.25Å; V115-R123 WeakPolarHBondContact O-CB 3.49Å; V115-R123 VanDerWaalsContact O-CG 3.3Å; V115-R123 WeakPolarHBondContact O-CG 3.32Å; R123-L125 PolarHBondContact O-N 3.18Å; R123-N126 WeakPolarHBondContact O-CB 3.17Å; R123-N126 PolarHBondContact O-N 2.86Å
124K90.4Very high91Very high63 Ų6355.1 Ų55.127%0.27431%0.306SS..G310 helixtrans-67.9-15.1-179.3-58.5-53.7-164.6-153.60113.6P48 A49 E51 F122 N126 A127 W177P48-K124 HydrophobicContact CB-CB 4.33Å; P48-K124 HydrophobicContact CB-CD 3.82Å; P48-K124 HydrophobicContact CB-CG 3.84Å; P48-K124 HydrophobicContact CG-CB 4.16Å; P48-K124 HydrophobicContact CG-CD 4.47Å; P48-K124 HydrophobicContact CG-CG 4.23Å; A49-K124 VanDerWaalsContact O-CE 3.28Å; A49-K124 WeakPolarHBondContact O-CE 3.33Å; E51-K124 WeakPolarHBondContact OE1-CE 3.18Å; E51-K124 IonicContact OE1-NZ 2.92Å; E51-K124 PolarHBondContact OE1-NZ 2.93Å; F122-K124 PolarHBondContact O-N 3.39Å; F122-K124 VanDerWaalsContact O-N 3.11Å; K124-N126 PolarHBondContact O-N 3.26Å; K124-A127 WeakPolarHBondContact O-CB 3.31Å; K124-A127 PolarHBondContact O-N 2.83Å; K124-W177 HydrophobicContact CB-CZ2 4.15Å
125L91.6Very high91Very high0 Ų058.7 Ų58.70%032%0.32CS..G310 helixtrans-65.9-14.7173.6-69.2174.6000113.2V115 F122 R123 A127 F128 F132 L133 F136 W177 F178V115-L125 HydrophobicContact CG1-CB 4.13Å; F122-L125 HydrophobicContact CB-CD1 4.05Å; F122-L125 HydrophobicContact CD1-CD1 3.93Å; F122-L125 HydrophobicContact CG-CD1 4.34Å; F122-L125 VanDerWaalsContact O-CB 3.22Å; F122-L125 WeakPolarHBondContact O-CB 3.26Å; F122-L125 PolarHBondContact O-N 2.76Å; R123-L125 PolarHBondContact O-N 3.18Å; L125-A127 PolarHBondContact O-N 2.93Å; L125-A127 VanDerWaalsContact O-N 3.09Å; L125-F128 HydrophobicContact CD2-CD2 3.72Å; L125-F128 HydrophobicContact CD2-CE2 3.68Å; L125-F128 PolarHBondContact O-N 3.39Å; L125-F132 HydrophobicContact CB-CE1 3.94Å; L125-F132 HydrophobicContact CD1-CE1 4.08Å; L125-F132 HydrophobicContact CD1-CZ 4.39Å; L125-F132 HydrophobicContact CD2-CE1 3.99Å; L125-F132 HydrophobicContact CD2-CZ 4.28Å; L125-F132 HydrophobicContact CG-CE1 4.23Å; L125-L133 HydrophobicContact CB-CD2 4.48Å; L125-F136 HydrophobicContact CD1-CD1 3.96Å; L125-F136 HydrophobicContact CD1-CE1 3.34Å; L125-F136 HydrophobicContact CD1-CE2 4.35Å; L125-F136 HydrophobicContact CD1-CZ 3.59Å; L125-W177 HydrophobicContact CD1-CE3 4.48Å; L125-W177 HydrophobicContact CD1-CH2 4.05Å; L125-W177 HydrophobicContact CD1-CZ3 3.9Å; L125-W177 HydrophobicContact CD2-CD2 3.57Å; L125-W177 HydrophobicContact CD2-CE3 3.4Å; L125-W177 VanDerWaalsContact CD2-CE3 3.4Å; L125-W177 HydrophobicContact CD2-CG 4.25Å; L125-W177 HydrophobicContact CD2-CH2 4Å; L125-W177 HydrophobicContact CD2-CZ2 4.14Å; L125-W177 HydrophobicContact CD2-CZ3 3.64Å; L125-W177 HydrophobicContact CG-CD2 4.32Å; L125-W177 HydrophobicContact CG-CE3 4.08Å; L125-W177 HydrophobicContact CG-CH2 3.73Å; L125-W177 HydrophobicContact CG-CZ2 3.97Å; L125-W177 HydrophobicContact CG-CZ3 3.79Å; L125-F178 HydrophobicContact CD1-CZ 4.04Å
126N89.8Confident91.1Very high96 Ų9658.2 Ų58.251%0.51332%0.317SS..G310 helixtrans-56.4-24.8172.5-16834000112.8V115 R123 K124 F128 G129V115-N126 HydrophobicContact CG2-CB 4.42Å; R123-N126 WeakPolarHBondContact O-CB 3.17Å; R123-N126 PolarHBondContact O-N 2.86Å; K124-N126 PolarHBondContact O-N 3.26Å; N126-F128 PolarHBondContact O-N 3.05Å; N126-G129 PolarHBondContact O-N 2.97Å; N126-G129 VanDerWaalsContact O-N 3.1Å
127A89.9Confident91.2Very high93 Ų9355.1 Ų55.177%0.76930%0.298SS*.G310 helixtrans-62.9-23.8176.200000113.9K124 L125 G129K124-A127 WeakPolarHBondContact O-CB 3.31Å; K124-A127 PolarHBondContact O-N 2.83Å; L125-A127 PolarHBondContact O-N 2.93Å; L125-A127 VanDerWaalsContact O-N 3.09Å; A127-G129 VanDerWaalsContact C-N 3.26Å; A127-G129 PolarHBondContact O-N 3.41Å
128F91.1Very high91.6Very high51 Ų5152.8 Ų52.822%0.22429%0.285CS..G310 helixtrans-82-4.2176.9-63.4-71.8000113.4L125 N126 F132 A173 V174 W177L125-F128 HydrophobicContact CD2-CD2 3.72Å; L125-F128 HydrophobicContact CD2-CE2 3.68Å; L125-F128 PolarHBondContact O-N 3.39Å; N126-F128 PolarHBondContact O-N 3.05Å; F128-F132 HydrophobicContact CB-CB 3.7Å; F128-F132 HydrophobicContact CB-CD1 3.75Å; F128-F132 HydrophobicContact CB-CG 3.78Å; F128-F132 HydrophobicContact CD2-CD1 4.46Å; F128-F132 HydrophobicContact CG-CD1 4.46Å; F128-A173 HydrophobicContact CE1-CB 3.89Å; F128-V174 HydrophobicContact CB-CG2 4.41Å; F128-V174 HydrophobicContact CD1-CG2 3.59Å; F128-V174 HydrophobicContact CD2-CG2 3.91Å; F128-V174 HydrophobicContact CE1-CG2 3.69Å; F128-V174 HydrophobicContact CE2-CG2 4.01Å; F128-V174 HydrophobicContact CG-CG2 3.7Å; F128-V174 HydrophobicContact CZ-CB 4.45Å; F128-V174 HydrophobicContact CZ-CG2 3.9Å; F128-W177 HydrophobicContact CE2-CB 4.09Å; F128-W177 HydrophobicContact CE2-CG 4.06Å; F128-W177 HydrophobicContact CZ-CB 4.01Å; F128-W177 HydrophobicContact CZ-CG 4.4Å
129G90.6Very high92Very high29 Ų2948.9 Ų48.930%0.29926%0.26SS..Hα-helixtrans74.8175.8172.100000115.3N126 A127 A131 F132 L133N126-G129 PolarHBondContact O-N 2.97Å; N126-G129 VanDerWaalsContact O-N 3.1Å; A127-G129 VanDerWaalsContact C-N 3.26Å; A127-G129 PolarHBondContact O-N 3.41Å; G129-A131 VanDerWaalsContact C-N 3.27Å; G129-A131 PolarHBondContact O-N 3.47Å; G129-F132 PolarHBondContact O-N 2.95Å; G129-F132 VanDerWaalsContact O-N 3.14Å; G129-L133 WeakPolarHBondContact O-CG 3.41Å; G129-L133 PolarHBondContact O-N 2.9Å; G129-L133 VanDerWaalsContact O-N 3.09Å
130N90.8Very high92.5Very high110 Ų11041.8 Ų41.859%0.58823%0.23SC*.Hα-helixtrans-61.1-30.8-171.7-71.8-30.4000114.1F132 L133 N134N130-F132 VanDerWaalsContact C-N 3.3Å; N130-F132 PolarHBondContact O-N 3.45Å; N130-L133 PolarHBondContact O-N 2.99Å; N130-N134 WeakPolarHBondContact O-CB 3.46Å; N130-N134 PolarHBondContact O-N 3.36Å; N130-N134 PolarHBondContact O-ND2 3.19Å
131A90.6Very high92.8Very high43 Ų4340.3 Ų40.336%0.35522%0.223SC..Hα-helixtrans-61.1-40.7178.200000111.8G129 G168G129-A131 VanDerWaalsContact C-N 3.27Å; G129-A131 PolarHBondContact O-N 3.47Å; A131-G168 VanDerWaalsContact CB-O 3.23Å; A131-G168 WeakPolarHBondContact CB-O 3.39Å
132F93.3Very high93.1Very high0 Ų042.8 Ų42.80%024%0.239CC..Hα-helixtrans-73.6-48173.3172.2-103.2000111.9F97 L125 F128 G129 N130 N134 R135 F136 Y169 V174F97-F132 HydrophobicContact CD2-CD2 4.39Å; F97-F132 AromaticContact CD2-CE2 3.53Å; F97-F132 HydrophobicContact CD2-CE2 3.53Å; F97-F132 HydrophobicContact CD2-CZ 4.34Å; F97-F132 HydrophobicContact CE2-CD2 4.44Å; F97-F132 AromaticContact CE2-CE2 3.74Å; F97-F132 HydrophobicContact CE2-CE2 3.74Å; F97-F132 HydrophobicContact CG-CE2 4.12Å; F97-F132 HydrophobicContact CZ-CE2 4.49Å; L125-F132 HydrophobicContact CB-CE1 3.94Å; L125-F132 HydrophobicContact CD1-CE1 4.08Å; L125-F132 HydrophobicContact CD1-CZ 4.39Å; L125-F132 HydrophobicContact CD2-CE1 3.99Å; L125-F132 HydrophobicContact CD2-CZ 4.28Å; L125-F132 HydrophobicContact CG-CE1 4.23Å; F128-F132 HydrophobicContact CB-CB 3.7Å; F128-F132 HydrophobicContact CB-CD1 3.75Å; F128-F132 HydrophobicContact CB-CG 3.78Å; F128-F132 HydrophobicContact CD2-CD1 4.46Å; F128-F132 HydrophobicContact CG-CD1 4.46Å; G129-F132 PolarHBondContact O-N 2.95Å; G129-F132 VanDerWaalsContact O-N 3.14Å; N130-F132 VanDerWaalsContact C-N 3.3Å; N130-F132 PolarHBondContact O-N 3.45Å; F132-N134 PolarHBondContact O-N 3.43Å; F132-R135 CarbonylContact O-C 3.55Å; F132-R135 VanDerWaalsContact O-C 3.25Å; F132-R135 WeakPolarHBondContact O-CA 3.29Å; F132-R135 PolarHBondContact O-N 3.34Å; F132-F136 HydrophobicContact CE1-CB 3.93Å; F132-F136 HydrophobicContact CE1-CD1 4.16Å; F132-F136 HydrophobicContact CE1-CG 4.06Å; F132-F136 HydrophobicContact CE2-CB 4.48Å; F132-F136 HydrophobicContact CZ-CB 3.92Å; F132-F136 HydrophobicContact CZ-CD1 4.48Å; F132-F136 HydrophobicContact CZ-CD2 4.32Å; F132-F136 HydrophobicContact CZ-CG 4.01Å; F132-F136 PolarHBondContact O-N 3.25Å; F132-Y169 HydrophobicContact CB-CD1 4.2Å; F132-Y169 HydrophobicContact CB-CD2 4.32Å; F132-Y169 HydrophobicContact CB-CG 3.88Å; F132-Y169 HydrophobicContact CD2-CD1 4.42Å; F132-Y169 AromaticContact CD2-CD2 3.71Å; F132-Y169 HydrophobicContact CD2-CD2 3.71Å; F132-Y169 HydrophobicContact CD2-CE1 4.5Å; F132-Y169 AromaticContact CD2-CE2 3.76Å; F132-Y169 HydrophobicContact CD2-CE2 3.76Å; F132-Y169 HydrophobicContact CD2-CG 4.07Å; F132-Y169 HydrophobicContact CE2-CE2 4.34Å; F132-Y169 HydrophobicContact CG-CD2 4.43Å; F132-Y169 HydrophobicContact CG-CG 4.45Å; F132-V174 HydrophobicContact CD2-CG1 4.38Å; F132-V174 HydrophobicContact CD2-CG2 3.88Å; F132-V174 HydrophobicContact CE2-CB 4.35Å; F132-V174 HydrophobicContact CE2-CG1 3.56Å; F132-V174 HydrophobicContact CE2-CG2 3.87Å; F132-V174 HydrophobicContact CG-CG2 4.41Å; F132-V174 HydrophobicContact CZ-CG1 3.81Å; F132-V174 HydrophobicContact CZ-CG2 4.4Å
133L93.5Very high93.2Very high2 Ų243 Ų431%0.0124%0.24CC..Hα-helixtrans-62.7-29-174.6-63.8178.7000113.7N112 V115 L125 G129 N130 R135 F136N112-L133 WeakPolarHBondContact OD1-CB 3.44Å; N112-L133 VanDerWaalsContact OD1-CD1 3.3Å; N112-L133 WeakPolarHBondContact OD1-CD1 3.14Å; V115-L133 HydrophobicContact CG1-CD2 3.53Å; V115-L133 HydrophobicContact CG2-CD1 4.16Å; V115-L133 HydrophobicContact CG2-CD2 4.35Å; L125-L133 HydrophobicContact CB-CD2 4.48Å; G129-L133 WeakPolarHBondContact O-CG 3.41Å; G129-L133 PolarHBondContact O-N 2.9Å; G129-L133 VanDerWaalsContact O-N 3.09Å; N130-L133 PolarHBondContact O-N 2.99Å; L133-R135 PolarHBondContact O-N 2.91Å; L133-F136 PolarHBondContact O-N 2.97Å
134N91.4Very high93.2Very high111 Ų11141.3 Ų41.359%0.59424%0.242SC*.THydrogen-bonded Turntrans-70.5-17.6172.7-71.2-17.1000113.2N112 N130 F132N112-N134 PolarHBondContact ND2-OD1 3.44Å; N112-N134 VanDerWaalsContact ND2-OD1 3.12Å; N130-N134 WeakPolarHBondContact O-CB 3.46Å; N130-N134 PolarHBondContact O-N 3.36Å; N130-N134 PolarHBondContact O-ND2 3.19Å; F132-N134 PolarHBondContact O-N 3.43Å
135R91.9Very high93.3Very high77 Ų7738.3 Ų38.329%0.29123%0.229SC..THydrogen-bonded Turntrans-112.725.2176.7-59.7-174.7-172.1-170.57.8111.7S96 F97 F132 L133 S166S96-R135 CarbonylContact C-O 3.55Å; S96-R135 WeakPolarHBondContact CA-O 3.31Å; S96-R135 VanDerWaalsContact CB-O 3.3Å; S96-R135 WeakPolarHBondContact CB-O 3.38Å; F97-R135 PolarHBondContact N-O 3.27Å; F132-R135 CarbonylContact O-C 3.55Å; F132-R135 VanDerWaalsContact O-C 3.25Å; F132-R135 WeakPolarHBondContact O-CA 3.29Å; F132-R135 PolarHBondContact O-N 3.34Å; L133-R135 PolarHBondContact O-N 2.91Å; R135-S166 PolarHBondContact NH2-O 2.66Å
136F95.5Very high93.5Very high0 Ų038.3 Ų38.30%023%0.229CC..EExtended strand (participates in β ladder)trans-128.5129.1173.6179.4-131.8000108.4F97 A99 G111 L114 F122 L125 F132 L133 F178F97-F136 HydrophobicContact CB-CD2 3.63Å; F97-F136 HydrophobicContact CB-CE2 4.33Å; F97-F136 WeakPolarHBondContact O-CA 3.39Å; A99-F136 HydrophobicContact CB-CE2 4.09Å; A99-F136 HydrophobicContact CB-CZ 4.32Å; G111-F136 WeakPolarHBondContact CA-O 3.49Å; G111-F136 PolarHBondContact N-O 3.44Å; L114-F136 HydrophobicContact CD2-CD1 4.15Å; L114-F136 HydrophobicContact CD2-CE1 3.41Å; L114-F136 VanDerWaalsContact CD2-CE1 3.41Å; L114-F136 HydrophobicContact CD2-CE2 4.48Å; L114-F136 HydrophobicContact CD2-CZ 3.6Å; L114-F136 HydrophobicContact CG-CE1 4.33Å; F122-F136 HydrophobicContact CB-CE1 4.05Å; F122-F136 HydrophobicContact CB-CZ 4.33Å; F122-F136 HydrophobicContact CD1-CE1 4.38Å; F122-F136 AromaticContact CD1-CZ 3.84Å; F122-F136 HydrophobicContact CD1-CZ 3.84Å; F122-F136 HydrophobicContact CD2-CZ 4.17Å; F122-F136 HydrophobicContact CE1-CZ 4.19Å; F122-F136 HydrophobicContact CE2-CZ 4.47Å; F122-F136 HydrophobicContact CG-CE1 4.07Å; F122-F136 AromaticContact CG-CZ 3.85Å; F122-F136 HydrophobicContact CG-CZ 3.85Å; F122-F136 HydrophobicContact CZ-CZ 4.49Å; L125-F136 HydrophobicContact CD1-CD1 3.96Å; L125-F136 HydrophobicContact CD1-CE1 3.34Å; L125-F136 HydrophobicContact CD1-CE2 4.35Å; L125-F136 HydrophobicContact CD1-CZ 3.59Å; F132-F136 HydrophobicContact CE1-CB 3.93Å; F132-F136 HydrophobicContact CE1-CD1 4.16Å; F132-F136 HydrophobicContact CE1-CG 4.06Å; F132-F136 HydrophobicContact CE2-CB 4.48Å; F132-F136 HydrophobicContact CZ-CB 3.92Å; F132-F136 HydrophobicContact CZ-CD1 4.48Å; F132-F136 HydrophobicContact CZ-CD2 4.32Å; F132-F136 HydrophobicContact CZ-CG 4.01Å; F132-F136 PolarHBondContact O-N 3.25Å; L133-F136 PolarHBondContact O-N 2.97Å; F136-F178 HydrophobicContact CE2-CZ 4.07Å; F136-F178 HydrophobicContact CZ-CZ 4.37Å
137V95.7Very high93.6Very high31 Ų3139 Ų3919%0.18823%0.229CC..EExtended strand (participates in β ladder)trans-139.1153-179.9-63.40000109.9F97 I98 A99 V108 I109F97-V137 PolarHBondContact O-N 3.24Å; I98-V137 CarbonylContact C-O 3.53Å; I98-V137 WeakPolarHBondContact CA-O 3.41Å; I98-V137 HydrophobicContact CB-CG2 4.19Å; I98-V137 HydrophobicContact CG1-CG2 3.78Å; I98-V137 HydrophobicContact CG2-CG2 4.09Å; A99-V137 PolarHBondContact N-O 3.11Å; V108-V137 HydrophobicContact CG1-CB 3.92Å; V108-V137 HydrophobicContact CG1-CG1 4.24Å; I109-V137 WeakPolarHBondContact O-CA 3.23Å
138C96.8Very high93.6Very high0 Ų035.9 Ų35.90%020%0.202CC..EExtended strand (participates in β ladder)trans-109.8118.4167.3173.80000109.1A99 V108 I109 L114A99-C138 HydrophobicContact CB-CB 4.24Å; A99-C138 CarbonylContact O-C 3.58Å; A99-C138 WeakPolarHBondContact O-CA 3.4Å; A99-C138 PolarHBondContact O-SG 3.47Å; V108-C138 CarbonylContact C-O 3.22Å; V108-C138 WeakPolarHBondContact CA-O 3.49Å; I109-C138 HydrophobicContact CB-CB 4.31Å; I109-C138 PolarHBondContact N-O 3.33Å; I109-C138 PolarHBondContact O-N 3.08Å; L114-C138 HydrophobicContact CD1-CB 3.83Å; L114-C138 HydrophobicContact CD2-CB 3.49Å; L114-C138 VanDerWaalsContact CD2-CB 3.49Å; L114-C138 HydrophobicContact CG-CB 4.28Å
139A97.1Very high93.8Very high0 Ų033.5 Ų33.50%019%0.191CC..EExtended strand (participates in β ladder)trans-88.8127170.500000108.3F83 P84 I98 A99 V100 M101F83-A139 HydrophobicContact CD2-CB 4.15Å; P84-A139 HydrophobicContact CB-CB 4.44Å; P84-A139 WeakPolarHBondContact O-CB 3.31Å; I98-A139 HydrophobicContact CG2-CB 3.81Å; A99-A139 PolarHBondContact O-N 3.19Å; V100-A139 WeakPolarHBondContact CA-O 3.2Å; V100-A139 HydrophobicContact CG2-CB 4.45Å; M101-A139 PolarHBondContact N-O 3.43Å
140Q96.4Very high94.1Very high32 Ų3232.2 Ų32.215%0.1518%0.178CC..EExtended strand (participates in β ladder)trans-118.9138.4178.1-68.5-176.9-12.100110M101 E106 G107 K120M101-Q140 VanDerWaalsContact O-CA 3.31Å; M101-Q140 WeakPolarHBondContact O-CA 3.46Å; E106-Q140 CarbonylContact C-O 3.25Å; E106-Q140 VanDerWaalsContact CA-O 3.24Å; E106-Q140 WeakPolarHBondContact CA-O 3.39Å; G107-Q140 PolarHBondContact N-O 3.49Å; G107-Q140 PolarHBondContact O-N 2.77Å; K120-Q140 VanDerWaalsContact NZ-NE2 3.16Å
141L97.3Very high94.4Very high0 Ų027 Ų270%015%0.15CC..EExtended strand (participates in β ladder)trans-158.3152.2175.264.6167.5000110.7Q81 F83 V100 M101 G103 E106 N143 L146Q81-L141 HydrophobicContact CG-CD1 4.46Å; F83-L141 HydrophobicContact CB-CD1 4.03Å; F83-L141 HydrophobicContact CB-CD2 3.99Å; V100-L141 HydrophobicContact CG1-CD2 3.91Å; M101-L141 PolarHBondContact O-N 3Å; G103-L141 PolarHBondContact N-O 3.01Å; G103-L141 CarbonylContact O-C 3.48Å; E106-L141 HydrophobicContact CG-CB 3.87Å; L141-N143 HydrophobicContact CD1-CB 4.44Å; L141-N143 HydrophobicContact CG-CB 4.29Å; L141-N143 PolarHBondContact O-N 2.76Å; L141-L146 HydrophobicContact CD2-CD1 3.29Å; L141-L146 HydrophobicContact CG-CD1 3.81Å
142P96.7Very high94.8Very high61 Ų6125 Ų2540%0.39613%0.133SC..  trans-75.2107.7171.529.1-32.1000108.6G103G103-P142 VanDerWaalsContact O-CA 3.28Å; G103-P142 WeakPolarHBondContact O-CA 2.99Å; G103-P142 WeakPolarHBondContact O-CD 3.32Å
143N95Very high94.9Very high5 Ų525 Ų253%0.02713%0.133CC..  trans-146.9134175.9-175.3-71.5000110.2L79 Q81 L141 V145 L146 E147L79-N143 PolarHBondContact O-ND2 2.98Å; L79-N143 VanDerWaalsContact O-ND2 3.15Å; Q81-N143 PolarHBondContact OE1-ND2 3.04Å; L141-N143 HydrophobicContact CD1-CB 4.44Å; L141-N143 HydrophobicContact CG-CB 4.29Å; L141-N143 PolarHBondContact O-N 2.76Å; N143-V145 VanDerWaalsContact C-N 3.3Å; N143-V145 PolarHBondContact O-N 2.9Å; N143-V145 VanDerWaalsContact OD1-CB 3.23Å; N143-V145 WeakPolarHBondContact OD1-CB 3.47Å; N143-V145 PolarHBondContact OD1-N 3.34Å; N143-L146 HydrophobicContact CB-CB 4.4Å; N143-L146 HydrophobicContact CB-CD1 3.99Å; N143-L146 HydrophobicContact CB-CG 4.13Å; N143-L146 PolarHBondContact O-N 3.19Å; N143-L146 VanDerWaalsContact O-N 3.09Å; N143-E147 PolarHBondContact O-N 3.42Å
144P91.4Very high94.9Very high63 Ų6324.9 Ų24.941%0.40913%0.133SC..Hα-helixtrans-60.6-32.4-178.3-24.634.2000114.5L146 E147 K410P144-L146 VanDerWaalsContact C-N 3.28Å; P144-L146 PolarHBondContact O-N 3.12Å; P144-E147 WeakPolarHBondContact O-CB 3.42Å; P144-E147 PolarHBondContact O-N 3.13Å; P144-K410 CarbonylContact C-O 3.58Å; P144-K410 VanDerWaalsContact C-O 3.22Å; P144-K410 WeakPolarHBondContact CB-O 3.32Å
145V92.9Very high94.9Very high0 Ų019.7 Ų19.70%011%0.105CC..Hα-helixtrans-62.1-42.8175.8175.90000109.9L79 N143 E147 S148 I149 V409 K410 G411 F414L79-V145 HydrophobicContact CD2-CB 3.69Å; L79-V145 HydrophobicContact CD2-CG1 3.74Å; L79-V145 HydrophobicContact CD2-CG2 4.3Å; N143-V145 VanDerWaalsContact C-N 3.3Å; N143-V145 PolarHBondContact O-N 2.9Å; N143-V145 VanDerWaalsContact OD1-CB 3.23Å; N143-V145 WeakPolarHBondContact OD1-CB 3.47Å; N143-V145 PolarHBondContact OD1-N 3.34Å; V145-E147 VanDerWaalsContact C-N 3.26Å; V145-E147 PolarHBondContact O-N 2.79Å; V145-S148 PolarHBondContact O-N 3Å; V145-S148 VanDerWaalsContact O-N 3.11Å; V145-I149 HydrophobicContact CG1-CD1 3.95Å; V145-I149 HydrophobicContact CG1-CG1 3.93Å; V145-I149 WeakPolarHBondContact O-CG1 3.49Å; V145-I149 PolarHBondContact O-N 3.41Å; V145-V409 HydrophobicContact CB-CG1 4.22Å; V145-V409 HydrophobicContact CG1-CG1 3.74Å; V145-V409 HydrophobicContact CG2-CG1 4.33Å; V145-K410 WeakPolarHBondContact CA-O 3.41Å; V145-K410 PolarHBondContact N-O 3.42Å; V145-K410 VanDerWaalsContact N-O 3.17Å; V145-G411 WeakPolarHBondContact CG2-O 3.31Å; V145-F414 HydrophobicContact CG1-CD2 4.31Å; V145-F414 HydrophobicContact CG1-CE2 3.78Å; V145-F414 HydrophobicContact CG2-CD2 3.84Å; V145-F414 HydrophobicContact CG2-CE2 4.09Å
146L95.5Very high94.7Very high0 Ų016.1 Ų16.10%09%0.092CC..Hα-helixtrans-75.2-16-178-58.3177.2000112.8K58 L79 V100 H102 L141 N143 P144 S148 I149K58-L146 PolarHBondContact NZ-O 3.36Å; L79-L146 HydrophobicContact CD1-CD1 4.34Å; L79-L146 HydrophobicContact CD2-CD1 4.36Å; L79-L146 HydrophobicContact CD2-CD2 3.89Å; L79-L146 HydrophobicContact CD2-CG 3.85Å; V100-L146 HydrophobicContact CG1-CD1 3.87Å; V100-L146 HydrophobicContact CG1-CD2 4.14Å; H102-L146 HydrophobicContact CB-CB 3.74Å; H102-L146 WeakPolarHBondContact CB-O 3.39Å; L141-L146 HydrophobicContact CD2-CD1 3.29Å; L141-L146 HydrophobicContact CG-CD1 3.81Å; N143-L146 HydrophobicContact CB-CB 4.4Å; N143-L146 HydrophobicContact CB-CD1 3.99Å; N143-L146 HydrophobicContact CB-CG 4.13Å; N143-L146 PolarHBondContact O-N 3.19Å; N143-L146 VanDerWaalsContact O-N 3.09Å; P144-L146 VanDerWaalsContact C-N 3.28Å; P144-L146 PolarHBondContact O-N 3.12Å; L146-S148 PolarHBondContact O-N 3.12Å; L146-I149 CarbonylContact C-O 3.45Å; L146-I149 VanDerWaalsContact CA-O 3.24Å; L146-I149 WeakPolarHBondContact CA-O 3.22Å
147E91.9Very high94.2Very high111 Ų11116.1 Ų16.152%0.5199%0.093SC..Hα-helixtrans-63.1-31.4168.5-68.9-179.5-168.400111.3K58 H102 N143 P144 V145K58-E147 WeakPolarHBondContact CD-O 3.37Å; K58-E147 VanDerWaalsContact CE-O 3.23Å; K58-E147 WeakPolarHBondContact CE-O 3.34Å; K58-E147 VanDerWaalsContact NZ-C 3.27Å; K58-E147 VanDerWaalsContact NZ-CA 3.29Å; K58-E147 PolarHBondContact NZ-O 3.5Å; H102-E147 VanDerWaalsContact CE1-CG 3.43Å; H102-E147 WeakPolarHBondContact CE1-CG 3.4Å; H102-E147 IonicContact CE1-OE1 3.57Å; H102-E147 WeakPolarHBondContact ND1-CG 3.4Å; N143-E147 PolarHBondContact O-N 3.42Å; P144-E147 WeakPolarHBondContact O-CB 3.42Å; P144-E147 PolarHBondContact O-N 3.13Å; V145-E147 VanDerWaalsContact C-N 3.26Å; V145-E147 PolarHBondContact O-N 2.79Å
148S90.6Very high93.1Very high28 Ų2815.8 Ų15.820%0.1969%0.089CC..Hα-helixtrans-99.3-35.3-177.4-68.10000114P59 V145 L146 V408P59-S148 WeakPolarHBondContact CD-O 3.31Å; V145-S148 PolarHBondContact O-N 3Å; V145-S148 VanDerWaalsContact O-N 3.11Å; L146-S148 PolarHBondContact O-N 3.12Å; S148-V408 PolarHBondContact OG-O 3.45Å
149I95.3Very high91.6Very high0 Ų019.4 Ų19.40%012%0.115CC..  trans-135.6173.5-177.258.2167.6000112.3P59 V61 V145 L146 V151 I282 L285 P286 V409P59-I149 HydrophobicContact CB-CG2 4.24Å; P59-I149 CarbonylContact O-C 3.53Å; P59-I149 WeakPolarHBondContact O-CA 3.5Å; V61-I149 HydrophobicContact CG2-CD1 4.38Å; V145-I149 HydrophobicContact CG1-CD1 3.95Å; V145-I149 HydrophobicContact CG1-CG1 3.93Å; V145-I149 WeakPolarHBondContact O-CG1 3.49Å; V145-I149 PolarHBondContact O-N 3.41Å; L146-I149 CarbonylContact C-O 3.45Å; L146-I149 VanDerWaalsContact CA-O 3.24Å; L146-I149 WeakPolarHBondContact CA-O 3.22Å; I149-V151 HydrophobicContact CD1-CG2 4.36Å; I149-I282 HydrophobicContact CD1-CG2 3.8Å; I149-L285 HydrophobicContact CG2-CB 4.32Å; I149-P286 HydrophobicContact CG2-CG 4.09Å; I149-V409 HydrophobicContact CD1-CG1 4.44Å; I149-V409 HydrophobicContact CD1-CG2 4.24Å; I149-V409 HydrophobicContact CG1-CG1 4.47Å; I149-V409 HydrophobicContact CG1-CG2 4.23Å; I149-V409 HydrophobicContact CG2-CG2 3.68Å
150S96.6Very high89.8Confident2 Ų221.4 Ų21.41%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-130.4149.4166.5-640000109.5P59 M60 V61P59-S150 PolarHBondContact O-N 3.38Å; M60-S150 CarbonylContact C-O 3.07Å; M60-S150 VanDerWaalsContact CA-O 3.3Å; M60-S150 WeakPolarHBondContact CA-O 3.18Å; V61-S150 PolarHBondContact N-O 2.99Å
151V97.6Very high87.6Confident1 Ų126.9 Ų26.91%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-122.1134.2-175.6-169.50000109.4V61 L63 I75 V100 I149V61-V151 CarbonylContact O-C 3.53Å; V61-V151 WeakPolarHBondContact O-CA 3.47Å; L63-V151 HydrophobicContact CD1-CG1 4.37Å; L63-V151 HydrophobicContact CG-CG1 4.16Å; I75-V151 HydrophobicContact CD1-CG1 3.77Å; I75-V151 HydrophobicContact CG1-CG1 3.82Å; V100-V151 WeakPolarHBondContact CA-O 3.44Å; V100-V151 PolarHBondContact N-O 3.11Å; V100-V151 PolarHBondContact O-N 3.03Å; I149-V151 HydrophobicContact CD1-CG2 4.36Å
152I97.5Very high85.4Confident0 Ų036.4 Ų36.40%020%0.202CC..EExtended strand (participates in β ladder)trans-107.5108177.1-50.5-58.7000107.9M60 V61 L62 L63 I98 A99 F122 T154 F178M60-I152 HydrophobicContact SD-CD1 4.46Å; V61-I152 PolarHBondContact O-N 2.91Å; L62-I152 HydrophobicContact CD1-CB 3.74Å; L62-I152 HydrophobicContact CD1-CG2 3.62Å; L63-I152 PolarHBondContact N-O 3.2Å; I98-I152 WeakPolarHBondContact O-CA 3.41Å; A99-I152 HydrophobicContact CB-CD1 3.67Å; F122-I152 HydrophobicContact CE1-CD1 4.48Å; F122-I152 HydrophobicContact CZ-CD1 4.29Å; I152-T154 HydrophobicContact CG2-CG2 4.48Å; I152-F178 HydrophobicContact CD1-CE1 4.16Å; I152-F178 HydrophobicContact CG1-CD1 4.24Å; I152-F178 HydrophobicContact CG1-CE1 4.11Å; I152-F178 HydrophobicContact CG2-CD1 4.27Å; I152-F178 HydrophobicContact CG2-CE1 3.95Å; I152-F178 HydrophobicContact CG2-CZ 4.1Å
153D96.3Very high83.3Confident0 Ų037.9 Ų37.90%020%0.204CC..EExtended strand (participates in β ladder)trans-78.9137.6167.4-156.51.7000109.3K71 T72 I75 F97 I98K71-D153 WeakPolarHBondContact CB-OD1 3.45Å; T72-D153 WeakPolarHBondContact CB-OD2 2.94Å; T72-D153 PolarHBondContact OG1-OD2 3.38Å; I75-D153 HydrophobicContact CD1-CB 3.48Å; I75-D153 VanDerWaalsContact CD1-CB 3.48Å; F97-D153 WeakPolarHBondContact CA-O 3.39Å; I98-D153 HydrophobicContact CB-CB 4.08Å; I98-D153 PolarHBondContact N-O 2.74Å; I98-D153 PolarHBondContact O-N 2.9Å
154T94.4Very high81.3Confident0 Ų042.1 Ų42.10%022%0.22CC..  trans-115.3149.918067.10000110.9L62 L63 K71 F97 I152 L175L62-T154 HydrophobicContact CD1-CG2 3.49Å; L62-T154 VanDerWaalsContact CD1-CG2 3.49Å; L62-T154 HydrophobicContact CG-CG2 4.36Å; L63-T154 VanDerWaalsContact O-CB 3.31Å; L63-T154 WeakPolarHBondContact O-CB 3.22Å; L63-T154 WeakPolarHBondContact O-CG2 3.49Å; L63-T154 PolarHBondContact O-OG1 2.97Å; K71-T154 WeakPolarHBondContact CE-O 3.47Å; F97-T154 HydrophobicContact CD1-CG2 3.86Å; F97-T154 HydrophobicContact CE1-CG2 3.68Å; I152-T154 HydrophobicContact CG2-CG2 4.48Å; T154-L175 HydrophobicContact CG2-CD2 3.8Å
155P90.2Very high79.5Confident2 Ų246.3 Ų46.31%0.01324%0.237CC..PPolyproline II helixtrans-53.7145.3169.3-22.829.9000111.3F97 I157 F171F97-P155 VanDerWaalsContact CD2-CD 3.49Å; F97-P155 HydrophobicContact CD2-CG 3.74Å; F97-P155 HydrophobicContact CE2-CG 3.85Å; F97-P155 HydrophobicContact CG-CG 4.36Å; P155-I157 PolarHBondContact O-N 3.37Å; P155-F171 HydrophobicContact CB-CE2 4.29Å; P155-F171 HydrophobicContact CG-CE2 4.22Å
156G88.2Confident78Confident2 Ų250.6 Ų50.62%0.02127%0.267CS..PPolyproline II helixtrans-55.4142.5172.700000112.1Y67 R167Y67-G156 WeakPolarHBondContact CE2-O 3.43Å; Y67-G156 VanDerWaalsContact CZ-C 3.5Å; Y67-G156 PolarHBondContact OH-O 3.29Å; G156-R167 PolarHBondContact O-NH2 3.18Å
157I84.6Confident77.1Confident1 Ų151.2 Ų51.21%0.00527%0.27CS..BIsolated β-bridgetrans-80.4122.1170.2-58.9174.6000108.2V64 G65 Q66 Y67 P155 F171 E199 F200 V203V64-I157 HydrophobicContact CG1-CD1 3.78Å; G65-I157 PolarHBondContact O-N 3.27Å; G65-I157 VanDerWaalsContact O-N 3.13Å; Q66-I157 WeakPolarHBondContact CA-O 3.3Å; Q66-I157 HydrophobicContact CG-CB 4.35Å; Y67-I157 WeakPolarHBondContact CD2-O 3.33Å; Y67-I157 VanDerWaalsContact CE2-C 3.47Å; Y67-I157 PolarHBondContact N-O 3Å; P155-I157 PolarHBondContact O-N 3.37Å; I157-F171 HydrophobicContact CD1-CE1 4.1Å; I157-F171 HydrophobicContact CG1-CE1 3.69Å; I157-F171 HydrophobicContact CG1-CZ 4.09Å; I157-E199 HydrophobicContact CG2-CB 3.96Å; I157-E199 HydrophobicContact CG2-CG 3.81Å; I157-F200 HydrophobicContact CD1-CB 4.33Å; I157-F200 HydrophobicContact CD1-CD2 3.28Å; I157-F200 HydrophobicContact CD1-CE2 3.73Å; I157-F200 HydrophobicContact CD1-CG 3.97Å; I157-F200 HydrophobicContact CG2-CB 4.04Å; I157-V203 HydrophobicContact CD1-CB 4.23Å; I157-V203 HydrophobicContact CD1-CG1 4.14Å; I157-V203 HydrophobicContact CD1-CG2 4.11Å
158L72.8Confident76.7Confident23 Ų2349 Ų4912%0.1228%0.276CS..PPolyproline II helixtrans-73.8147.5-175.7-69.9162.7000108.5Y67 Q163 S197Y67-L158 HydrophobicContact CD2-CD2 3.68Å; Y67-L158 HydrophobicContact CD2-CG 4.24Å; Y67-L158 HydrophobicContact CE1-CD2 4.35Å; Y67-L158 HydrophobicContact CE2-CB 4.02Å; Y67-L158 HydrophobicContact CE2-CD2 2.98Å; Y67-L158 HydrophobicContact CE2-CG 3.31Å; Y67-L158 WeakPolarHBondContact OH-CD2 3.47Å; L158-Q163 HydrophobicContact CB-CB 3.85Å; L158-Q163 HydrophobicContact CD1-CB 3.59Å; L158-Q163 HydrophobicContact CD1-CG 4.17Å; L158-Q163 HydrophobicContact CG-CB 4.1Å; L158-S197 PolarHBondContact O-OG 3.11Å
159S64.9Low76.6Confident76 Ų7648.9 Ų48.953%0.53127%0.271SS..SBendtrans-95.5113.1171.146.10000109.1
160G59Low76.2Confident43 Ų4353.5 Ų53.544%0.44330%0.296SS..SBendtrans109.9150.8171.700000116.6K162 Q163G160-K162 PolarHBondContact O-N 3.46Å; G160-Q163 PolarHBondContact O-N 3.03Å
161E51.8Low75.8Confident146 Ų14654 Ų5468%0.68230%0.298SS*.Hα-helixtrans-64.1-32.6-170.2-68.8-177.1144.300115.1Q163 R164E161-Q163 PolarHBondContact O-N 3.45Å; E161-Q163 VanDerWaalsContact O-N 3.09Å; E161-R164 WeakPolarHBondContact O-CB 3.38Å; E161-R164 PolarHBondContact O-N 2.73Å
162K49.9Very low75.3Confident200 Ų20055.1 Ų55.187%0.8731%0.307SS*.Hα-helixtrans-64.4-18.9-175.2-71.2-174.8178.51790113.6G160G160-K162 PolarHBondContact O-N 3.46Å
163Q53.4Low74.9Confident92 Ų9256.3 Ų56.343%0.4332%0.318SS..Hα-helixtrans-98.8-15.6-176.8-86.2178.1-5.700113.4L158 G160 E161 I165L158-Q163 HydrophobicContact CB-CB 3.85Å; L158-Q163 HydrophobicContact CD1-CB 3.59Å; L158-Q163 HydrophobicContact CD1-CG 4.17Å; L158-Q163 HydrophobicContact CG-CB 4.1Å; G160-Q163 PolarHBondContact O-N 3.03Å; E161-Q163 PolarHBondContact O-N 3.45Å; E161-Q163 VanDerWaalsContact O-N 3.09Å; Q163-I165 PolarHBondContact O-N 3.49Å
164R52.9Low74.7Confident94 Ų9456.3 Ų56.336%0.35532%0.318SS..Hα-helixtrans-59.1-28.7173.1-74.2179.6171.9-155.4-14.1113E161 S166 E199 E202E161-R164 WeakPolarHBondContact O-CB 3.38Å; E161-R164 PolarHBondContact O-N 2.73Å; R164-S166 VanDerWaalsContact C-N 3.31Å; R164-S166 PolarHBondContact O-N 3Å; R164-E199 WeakPolarHBondContact CG-OE2 3.45Å; R164-E202 IonicContact CZ-OE2 2.91Å; R164-E202 IonicContact NH1-OE2 3.77Å; R164-E202 PolarHBondContact NH1-OE2 3.47Å; R164-E202 IonicContact NH2-OE2 3.23Å; R164-E202 PolarHBondContact NH2-OE2 3.21Å
165I52.6Low74.6Confident152 Ų15256.3 Ų56.378%0.77932%0.318SS*.THydrogen-bonded Turntrans-78.8-8-169.1-56.9174.3000113Q163Q163-I165 PolarHBondContact O-N 3.49Å
166S62.6Low74.7Confident89 Ų8958.5 Ų58.562%0.62233%0.328SS*.THydrogen-bonded Turntrans-108.1-1.6-165.1-164.20000116.8R135 R164R135-S166 PolarHBondContact NH2-O 2.66Å; R164-S166 VanDerWaalsContact C-N 3.31Å; R164-S166 PolarHBondContact O-N 3Å
167R76.3Confident74.8Confident14 Ų1459.2 Ų59.25%0.05333%0.33CS..SBendtrans-79.3-33.4-175.5-62-172.7-165.8-142.85.5113.9G156 Y169 E199G156-R167 PolarHBondContact O-NH2 3.18Å; R167-Y169 VanDerWaalsContact C-N 3.25Å; R167-Y169 HydrophobicContact CB-CD1 4.12Å; R167-Y169 HydrophobicContact CB-CE1 3.81Å; R167-Y169 WeakPolarHBondContact O-CD1 3.42Å; R167-Y169 WeakPolarHBondContact O-CE1 3.38Å; R167-Y169 PolarHBondContact O-N 2.87Å; R167-E199 IonicContact CZ-OE1 3.48Å; R167-E199 IonicContact NE-OE1 2.68Å; R167-E199 IonicContact NH2-OE1 3.09Å; R167-E199 PolarHBondContact NH2-OE1 2.75Å
168G83.2Confident75.3Confident63 Ų6359.1 Ų59.165%0.64933%0.329SS*.SBendtrans75.98.3-178.400000114.8A131A131-G168 VanDerWaalsContact CB-O 3.23Å; A131-G168 WeakPolarHBondContact CB-O 3.39Å
169Y87.7Confident76.2Confident27 Ų2758 Ų5811%0.10632%0.324CS..SBendtrans-150.5160.8173.363.9-85.4000109.9F97 F132 R167 F171 V174F97-Y169 AromaticContact CE2-CE2 3.84Å; F97-Y169 HydrophobicContact CE2-CE2 3.84Å; F132-Y169 HydrophobicContact CB-CD1 4.2Å; F132-Y169 HydrophobicContact CB-CD2 4.32Å; F132-Y169 HydrophobicContact CB-CG 3.88Å; F132-Y169 HydrophobicContact CD2-CD1 4.42Å; F132-Y169 AromaticContact CD2-CD2 3.71Å; F132-Y169 HydrophobicContact CD2-CD2 3.71Å; F132-Y169 HydrophobicContact CD2-CE1 4.5Å; F132-Y169 AromaticContact CD2-CE2 3.76Å; F132-Y169 HydrophobicContact CD2-CE2 3.76Å; F132-Y169 HydrophobicContact CD2-CG 4.07Å; F132-Y169 HydrophobicContact CE2-CE2 4.34Å; F132-Y169 HydrophobicContact CG-CD2 4.43Å; F132-Y169 HydrophobicContact CG-CG 4.45Å; R167-Y169 VanDerWaalsContact C-N 3.25Å; R167-Y169 HydrophobicContact CB-CD1 4.12Å; R167-Y169 HydrophobicContact CB-CE1 3.81Å; R167-Y169 WeakPolarHBondContact O-CD1 3.42Å; R167-Y169 WeakPolarHBondContact O-CE1 3.38Å; R167-Y169 PolarHBondContact O-N 2.87Å; Y169-F171 HydrophobicContact CE2-CB 4.25Å; Y169-F171 HydrophobicContact CE2-CD2 4Å; Y169-F171 PolarHBondContact O-N 3.48Å; Y169-V174 HydrophobicContact CD2-CG2 3.95Å; Y169-V174 HydrophobicContact CE2-CG2 4.33Å
170D87.4Confident77.2Confident97 Ų9757 Ų5752%0.51931%0.31SS..  trans-78.5103.1177.1-173.3-22.7000110.6A172 A173 V174D170-A172 PolarHBondContact OD1-N 2.76Å; D170-A172 VanDerWaalsContact OD1-N 3.12Å; D170-A173 HydrophobicContact CB-CB 3.89Å; D170-A173 VanDerWaalsContact CG-CB 3.41Å; D170-A173 PolarHBondContact OD1-N 3.34Å; D170-V174 WeakPolarHBondContact O-CG2 3.36Å; D170-V174 PolarHBondContact O-N 3.34Å
171F88.4Confident78.7Confident11 Ų1156 Ų565%0.04829%0.293CS..Hα-helixtrans-67.6-38.2-177.2-177.3-104.2000113.1F97 P155 I157 Y169 V174 L175 V203F97-F171 HydrophobicContact CE1-CE2 4.3Å; F97-F171 AromaticContact CE2-CD2 3.84Å; F97-F171 HydrophobicContact CE2-CD2 3.84Å; F97-F171 AromaticContact CE2-CE2 3.73Å; F97-F171 HydrophobicContact CE2-CE2 3.73Å; F97-F171 AromaticContact CZ-CD2 3.66Å; F97-F171 HydrophobicContact CZ-CD2 3.66Å; F97-F171 AromaticContact CZ-CE2 3.35Å; F97-F171 HydrophobicContact CZ-CE2 3.35Å; F97-F171 HydrophobicContact CZ-CZ 4.31Å; P155-F171 HydrophobicContact CB-CE2 4.29Å; P155-F171 HydrophobicContact CG-CE2 4.22Å; I157-F171 HydrophobicContact CD1-CE1 4.1Å; I157-F171 HydrophobicContact CG1-CE1 3.69Å; I157-F171 HydrophobicContact CG1-CZ 4.09Å; Y169-F171 HydrophobicContact CE2-CB 4.25Å; Y169-F171 HydrophobicContact CE2-CD2 4Å; Y169-F171 PolarHBondContact O-N 3.48Å; F171-V174 PolarHBondContact O-N 3.46Å; F171-L175 HydrophobicContact CD1-CD1 3.96Å; F171-L175 HydrophobicContact CE1-CD1 3.32Å; F171-L175 HydrophobicContact CE1-CG 4.14Å; F171-L175 HydrophobicContact CE2-CD1 4.49Å; F171-L175 HydrophobicContact CZ-CD1 3.65Å; F171-L175 HydrophobicContact CZ-CG 4.18Å; F171-L175 PolarHBondContact O-N 2.92Å; F171-L175 VanDerWaalsContact O-N 3.11Å; F171-V203 HydrophobicContact CD1-CG2 3.94Å; F171-V203 HydrophobicContact CE1-CG2 3.96Å
172A88.2Confident80.7Confident25 Ų2549 Ų4921%0.20726%0.261CS..Hα-helixtrans-68.7-41.5-179.300000110.7D170 V174 L175 E176D170-A172 PolarHBondContact OD1-N 2.76Å; D170-A172 VanDerWaalsContact OD1-N 3.12Å; A172-V174 VanDerWaalsContact C-N 3.35Å; A172-V174 PolarHBondContact O-N 2.84Å; A172-L175 PolarHBondContact O-N 2.7Å; A172-E176 PolarHBondContact O-N 3.34Å
173A87.9Confident82.8Confident26 Ų2639.8 Ų39.822%0.21522%0.221CC..Hα-helixtrans-64.7-36.6176.300000112.9F128 D170 E176 W177F128-A173 HydrophobicContact CE1-CB 3.89Å; D170-A173 HydrophobicContact CB-CB 3.89Å; D170-A173 VanDerWaalsContact CG-CB 3.41Å; D170-A173 PolarHBondContact OD1-N 3.34Å; A173-E176 PolarHBondContact O-N 2.99Å; A173-W177 WeakPolarHBondContact O-CB 3.39Å; A173-W177 PolarHBondContact O-N 2.72Å
174V92.6Very high84.8Confident0 Ų036.4 Ų36.40%020%0.204CC..Hα-helixtrans-64-43.6173.4171.60000111F97 F128 F132 Y169 D170 F171 A172 W177 F178F97-V174 HydrophobicContact CD1-CG1 4.46Å; F97-V174 HydrophobicContact CE1-CG1 3.8Å; F97-V174 HydrophobicContact CE2-CG1 4Å; F97-V174 HydrophobicContact CZ-CB 4.25Å; F97-V174 HydrophobicContact CZ-CG1 3.53Å; F128-V174 HydrophobicContact CB-CG2 4.41Å; F128-V174 HydrophobicContact CD1-CG2 3.59Å; F128-V174 HydrophobicContact CD2-CG2 3.91Å; F128-V174 HydrophobicContact CE1-CG2 3.69Å; F128-V174 HydrophobicContact CE2-CG2 4.01Å; F128-V174 HydrophobicContact CG-CG2 3.7Å; F128-V174 HydrophobicContact CZ-CB 4.45Å; F128-V174 HydrophobicContact CZ-CG2 3.9Å; F132-V174 HydrophobicContact CD2-CG1 4.38Å; F132-V174 HydrophobicContact CD2-CG2 3.88Å; F132-V174 HydrophobicContact CE2-CB 4.35Å; F132-V174 HydrophobicContact CE2-CG1 3.56Å; F132-V174 HydrophobicContact CE2-CG2 3.87Å; F132-V174 HydrophobicContact CG-CG2 4.41Å; F132-V174 HydrophobicContact CZ-CG1 3.81Å; F132-V174 HydrophobicContact CZ-CG2 4.4Å; Y169-V174 HydrophobicContact CD2-CG2 3.95Å; Y169-V174 HydrophobicContact CE2-CG2 4.33Å; D170-V174 WeakPolarHBondContact O-CG2 3.36Å; D170-V174 PolarHBondContact O-N 3.34Å; F171-V174 PolarHBondContact O-N 3.46Å; A172-V174 VanDerWaalsContact C-N 3.35Å; A172-V174 PolarHBondContact O-N 2.84Å; V174-W177 WeakPolarHBondContact O-CB 3.23Å; V174-W177 PolarHBondContact O-N 2.68Å; V174-F178 HydrophobicContact CG1-CD2 3.86Å; V174-F178 HydrophobicContact CG1-CE2 3.72Å; V174-F178 VanDerWaalsContact O-CD2 3.31Å; V174-F178 WeakPolarHBondContact O-CD2 3.21Å; V174-F178 PolarHBondContact O-N 3.02Å
175L93Very high86.9Confident0 Ų032 Ų320%019%0.187CC..Hα-helixtrans-66.8-39.5177.4-73.3-179.8000112.6L62 V64 F97 T154 F171 A172 W177 F178 A179 V203L62-L175 HydrophobicContact CD1-CD2 4.34Å; L62-L175 HydrophobicContact CD2-CD2 4.15Å; V64-L175 HydrophobicContact CG1-CD1 4.01Å; V64-L175 HydrophobicContact CG2-CD2 4.05Å; F97-L175 HydrophobicContact CE1-CD2 3.88Å; F97-L175 HydrophobicContact CZ-CD2 4.32Å; T154-L175 HydrophobicContact CG2-CD2 3.8Å; F171-L175 HydrophobicContact CD1-CD1 3.96Å; F171-L175 HydrophobicContact CE1-CD1 3.32Å; F171-L175 HydrophobicContact CE1-CG 4.14Å; F171-L175 HydrophobicContact CE2-CD1 4.49Å; F171-L175 HydrophobicContact CZ-CD1 3.65Å; F171-L175 HydrophobicContact CZ-CG 4.18Å; F171-L175 PolarHBondContact O-N 2.92Å; F171-L175 VanDerWaalsContact O-N 3.11Å; A172-L175 PolarHBondContact O-N 2.7Å; L175-W177 VanDerWaalsContact C-N 3.28Å; L175-W177 PolarHBondContact O-N 2.72Å; L175-F178 PolarHBondContact O-N 3.47Å; L175-A179 WeakPolarHBondContact O-CB 3.31Å; L175-A179 PolarHBondContact O-N 3.47Å; L175-V203 HydrophobicContact CD1-CB 4.29Å; L175-V203 HydrophobicContact CD1-CG1 3.32Å; L175-V203 HydrophobicContact CD1-CG2 3.95Å
176E90.9Very high89Confident48 Ų4824.8 Ų24.822%0.22415%0.15CC..Hα-helixtrans-56.7-45.1171.2-170.1179.4-169.100109.9A172 A173 F178 A179 E180 K358A172-E176 PolarHBondContact O-N 3.34Å; A173-E176 PolarHBondContact O-N 2.99Å; E176-F178 PolarHBondContact O-N 2.94Å; E176-A179 WeakPolarHBondContact O-CB 3.43Å; E176-A179 PolarHBondContact O-N 3.4Å; E176-E180 PolarHBondContact O-N 3.15Å; E176-K358 IonicContact OE1-NZ 3.6Å; E176-K358 PolarHBondContact OE1-NZ 3.23Å; E176-K358 IonicContact OE2-NZ 2.85Å; E176-K358 PolarHBondContact OE2-NZ 3.36Å
177W91.6Very high90.6Very high16 Ų1620.6 Ų20.66%0.06112%0.121CC..Hα-helixtrans-61-40.3177.6-177.595.6000113.4P121 F122 K124 L125 F128 A173 V174 L175 R181P121-W177 VanDerWaalsContact O-CH2 3.25Å; P121-W177 WeakPolarHBondContact O-CH2 3.35Å; F122-W177 HydrophobicContact CD1-CH2 4.17Å; F122-W177 HydrophobicContact CD1-CZ3 4.41Å; K124-W177 HydrophobicContact CB-CZ2 4.15Å; L125-W177 HydrophobicContact CD1-CE3 4.48Å; L125-W177 HydrophobicContact CD1-CH2 4.05Å; L125-W177 HydrophobicContact CD1-CZ3 3.9Å; L125-W177 HydrophobicContact CD2-CD2 3.57Å; L125-W177 HydrophobicContact CD2-CE3 3.4Å; L125-W177 VanDerWaalsContact CD2-CE3 3.4Å; L125-W177 HydrophobicContact CD2-CG 4.25Å; L125-W177 HydrophobicContact CD2-CH2 4Å; L125-W177 HydrophobicContact CD2-CZ2 4.14Å; L125-W177 HydrophobicContact CD2-CZ3 3.64Å; L125-W177 HydrophobicContact CG-CD2 4.32Å; L125-W177 HydrophobicContact CG-CE3 4.08Å; L125-W177 HydrophobicContact CG-CH2 3.73Å; L125-W177 HydrophobicContact CG-CZ2 3.97Å; L125-W177 HydrophobicContact CG-CZ3 3.79Å; F128-W177 HydrophobicContact CE2-CB 4.09Å; F128-W177 HydrophobicContact CE2-CG 4.06Å; F128-W177 HydrophobicContact CZ-CB 4.01Å; F128-W177 HydrophobicContact CZ-CG 4.4Å; A173-W177 WeakPolarHBondContact O-CB 3.39Å; A173-W177 PolarHBondContact O-N 2.72Å; V174-W177 WeakPolarHBondContact O-CB 3.23Å; V174-W177 PolarHBondContact O-N 2.68Å; L175-W177 VanDerWaalsContact C-N 3.28Å; L175-W177 PolarHBondContact O-N 2.72Å; W177-R181 VanDerWaalsContact CZ2-NE 3.33Å; W177-R181 PolarHBondContact O-NH1 2.96Å; W177-R181 VanDerWaalsContact O-NH1 3.08Å
178F93.9Very high91.6Very high0 Ų019.9 Ų19.90%012%0.118CC..Hα-helixtrans-69.3-41.5174.3-82.9-72.7000111.3L62 F97 F122 L125 F136 I152 V174 L175 E176 E180 R181 V182L62-F178 HydrophobicContact CD1-CB 4.11Å; L62-F178 HydrophobicContact CD1-CG 4.27Å; L62-F178 HydrophobicContact CD2-CB 3.9Å; F97-F178 HydrophobicContact CD1-CD2 4.42Å; F97-F178 AromaticContact CD1-CE2 3.84Å; F97-F178 HydrophobicContact CD1-CE2 3.84Å; F97-F178 HydrophobicContact CE1-CD2 4.27Å; F97-F178 HydrophobicContact CE1-CE2 4.07Å; F122-F178 HydrophobicContact CD1-CE1 4.48Å; F122-F178 HydrophobicContact CE1-CE1 4.05Å; L125-F178 HydrophobicContact CD1-CZ 4.04Å; F136-F178 HydrophobicContact CE2-CZ 4.07Å; F136-F178 HydrophobicContact CZ-CZ 4.37Å; I152-F178 HydrophobicContact CD1-CE1 4.16Å; I152-F178 HydrophobicContact CG1-CD1 4.24Å; I152-F178 HydrophobicContact CG1-CE1 4.11Å; I152-F178 HydrophobicContact CG2-CD1 4.27Å; I152-F178 HydrophobicContact CG2-CE1 3.95Å; I152-F178 HydrophobicContact CG2-CZ 4.1Å; V174-F178 HydrophobicContact CG1-CD2 3.86Å; V174-F178 HydrophobicContact CG1-CE2 3.72Å; V174-F178 VanDerWaalsContact O-CD2 3.31Å; V174-F178 WeakPolarHBondContact O-CD2 3.21Å; V174-F178 PolarHBondContact O-N 3.02Å; L175-F178 PolarHBondContact O-N 3.47Å; E176-F178 PolarHBondContact O-N 2.94Å; F178-E180 PolarHBondContact O-N 3.31Å; F178-R181 CarbonylContact O-C 3.6Å; F178-R181 PolarHBondContact O-N 3.43Å; F178-V182 HydrophobicContact CB-CG1 4.43Å; F178-V182 WeakPolarHBondContact O-CG1 3.42Å; F178-V182 WeakPolarHBondContact O-CG2 3.36Å; F178-V182 PolarHBondContact O-N 3.37Å
179A91.8Very high92.2Very high0 Ų017.1 Ų17.10%09%0.088CC..Hα-helixtrans-57-35-179.500000113.2L175 E176 R181 I185 L207 H210 K213L175-A179 WeakPolarHBondContact O-CB 3.31Å; L175-A179 PolarHBondContact O-N 3.47Å; E176-A179 WeakPolarHBondContact O-CB 3.43Å; E176-A179 PolarHBondContact O-N 3.4Å; A179-R181 PolarHBondContact O-N 2.89Å; A179-I185 HydrophobicContact CB-CD1 3.8Å; A179-L207 HydrophobicContact CB-CD2 3.4Å; A179-L207 VanDerWaalsContact CB-CD2 3.4Å; A179-H210 HydrophobicContact CB-CB 4.46Å; A179-K213 PolarHBondContact O-NZ 2.92Å
180E87.2Confident92.5Very high54 Ų5416.3 Ų16.325%0.2529%0.086SC..THydrogen-bonded Turntrans-62.2-28.2173.2-68.9-176.6161.100113.5S47 E176 F178S47-E180 WeakPolarHBondContact CB-OE1 3.25Å; S47-E180 VanDerWaalsContact CB-OE2 3.29Å; S47-E180 WeakPolarHBondContact CB-OE2 3.4Å; E176-E180 PolarHBondContact O-N 3.15Å; F178-E180 PolarHBondContact O-N 3.31Å
181R89.5Confident92.7Very high21 Ų2111.7 Ų11.78%0.0796%0.062CC..THydrogen-bonded Turntrans-113.5-18.5-168.6-72167.5-179.767.711114.8D54 M60 W177 F178 A179D54-R181 IonicContact OD1-NE 3.46Å; D54-R181 PolarHBondContact OD1-NE 3.4Å; M60-R181 HydrophobicContact CE-CB 3.87Å; M60-R181 VanDerWaalsContact CE-O 3.28Å; M60-R181 WeakPolarHBondContact CE-O 3.16Å; W177-R181 VanDerWaalsContact CZ2-NE 3.33Å; W177-R181 PolarHBondContact O-NH1 2.96Å; W177-R181 VanDerWaalsContact O-NH1 3.08Å; F178-R181 CarbonylContact O-C 3.6Å; F178-R181 PolarHBondContact O-N 3.43Å; A179-R181 PolarHBondContact O-N 2.89Å
182V93.5Very high92.8Very high1 Ų115.9 Ų15.91%0.0068%0.081CC..  trans-83.7158.2177.3-59.60000111.6M60 L62 F178 I185 K213M60-V182 HydrophobicContact CB-CB 4.11Å; M60-V182 HydrophobicContact CB-CG1 3.71Å; M60-V182 HydrophobicContact CE-CG1 4.35Å; M60-V182 WeakPolarHBondContact O-CB 3.5Å; L62-V182 HydrophobicContact CB-CB 4.31Å; L62-V182 HydrophobicContact CB-CG1 3.94Å; L62-V182 HydrophobicContact CB-CG2 3.99Å; F178-V182 HydrophobicContact CB-CG1 4.43Å; F178-V182 WeakPolarHBondContact O-CG1 3.42Å; F178-V182 WeakPolarHBondContact O-CG2 3.36Å; F178-V182 PolarHBondContact O-N 3.37Å; V182-I185 HydrophobicContact CG2-CD1 4.3Å; V182-I185 HydrophobicContact CG2-CG1 3.63Å; V182-K213 VanDerWaalsContact O-CD 3.3Å; V182-K213 WeakPolarHBondContact O-CD 3.32Å; V182-K213 WeakPolarHBondContact O-CE 3.32Å; V182-K213 PolarHBondContact O-NZ 3.5Å
183D93.9Very high92.6Very high6 Ų621.7 Ų21.73%0.03210%0.102CC..SBendtrans-94.3-28.1179.4-62.6-105.1000111.7P59 M60 L285P59-D183 WeakPolarHBondContact CA-OD2 3.37Å; P59-D183 HydrophobicContact CB-CB 4.19Å; P59-D183 WeakPolarHBondContact CB-OD2 3.39Å; M60-D183 PolarHBondContact N-OD2 3.36Å; M60-D183 PolarHBondContact O-N 3.46Å; D183-L285 HydrophobicContact CB-CD2 4.18Å
184R95.2Very high92.5Very high21 Ų2122.8 Ų22.88%0.07910%0.104CC..EExtended strand (participates in β ladder)trans-140.4145.6176.2-73.9-68.1-174.8-134.4-2.6111.5M60 V61 L62 D212 K213 R215 D281 L285M60-R184 PolarHBondContact O-N 2.96Å; V61-R184 WeakPolarHBondContact CA-O 3.13Å; V61-R184 HydrophobicContact CG1-CB 4.29Å; V61-R184 HydrophobicContact CG2-CB 4.39Å; L62-R184 PolarHBondContact N-O 3.24Å; R184-D212 PolarHBondContact NH1-O 3.43Å; R184-D212 VanDerWaalsContact NH1-O 3.13Å; R184-K213 WeakPolarHBondContact CA-O 3.41Å; R184-R215 VanDerWaalsContact CZ-NH2 3.26Å; R184-R215 VanDerWaalsContact NH2-NH2 3.12Å; R184-D281 IonicContact CZ-OD1 2.87Å; R184-D281 IonicContact CZ-OD2 3.48Å; R184-D281 IonicContact NE-OD1 3.58Å; R184-D281 PolarHBondContact NE-OD1 2.67Å; R184-D281 IonicContact NE-OD2 2.76Å; R184-D281 PolarHBondContact NE-OD2 3.32Å; R184-D281 IonicContact NH2-OD1 3.67Å; R184-D281 PolarHBondContact NH2-OD1 2.85Å; R184-D281 IonicContact NH2-OD2 2.68Å; R184-L285 HydrophobicContact CB-CD1 4.41Å; R184-L285 HydrophobicContact CB-CD2 4.49Å; R184-L285 HydrophobicContact CG-CD1 3.93Å; R184-L285 HydrophobicContact CG-CD2 3.35Å; R184-L285 HydrophobicContact CG-CG 4.22Å
185I97.2Very high92Very high0 Ų026.4 Ų26.40%012%0.123CC..EExtended strand (participates in β ladder)trans-122.4115.5172.7-55171.8000107L62 V64 A179 V182 L187 L207 H210 K213 I214 R215L62-I185 HydrophobicContact CB-CG1 4.43Å; L62-I185 HydrophobicContact CD2-CG1 4.36Å; L62-I185 HydrophobicContact CD2-CG2 4.33Å; L62-I185 CarbonylContact O-C 3.54Å; L62-I185 WeakPolarHBondContact O-CA 3.39Å; V64-I185 HydrophobicContact CG2-CG2 4.14Å; A179-I185 HydrophobicContact CB-CD1 3.8Å; V182-I185 HydrophobicContact CG2-CD1 4.3Å; V182-I185 HydrophobicContact CG2-CG1 3.63Å; I185-L187 HydrophobicContact CG2-CD2 3.95Å; I185-L207 HydrophobicContact CD1-CD2 4.1Å; I185-L207 HydrophobicContact CG2-CD1 4.13Å; I185-H210 HydrophobicContact CD1-CB 4.23Å; I185-K213 HydrophobicContact CD1-CB 4.38Å; I185-K213 HydrophobicContact CG1-CB 4.32Å; I185-K213 PolarHBondContact N-O 2.74Å; I185-I214 HydrophobicContact CB-CG1 4.29Å; I185-I214 HydrophobicContact CD1-CG1 4.39Å; I185-I214 CarbonylContact O-C 3.42Å; I185-I214 WeakPolarHBondContact O-CA 3.29Å; I185-R215 PolarHBondContact O-N 2.73Å
186I97.7Very high91.6Very high1 Ų127.8 Ų27.81%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-98.6114.4176.1-54.6-176.8000108.2V61 L62 L63 V64 F74 L188 R215 V217 L278 I282V61-I186 HydrophobicContact CG1-CD1 3.61Å; V61-I186 HydrophobicContact CG1-CG1 3.83Å; L62-I186 PolarHBondContact O-N 3.45Å; L63-I186 HydrophobicContact CD2-CB 3.65Å; L63-I186 HydrophobicContact CD2-CD1 3.8Å; L63-I186 HydrophobicContact CD2-CG1 4.04Å; L63-I186 HydrophobicContact CD2-CG2 4.27Å; V64-I186 PolarHBondContact N-O 3.39Å; F74-I186 HydrophobicContact CE1-CD1 3.83Å; F74-I186 HydrophobicContact CZ-CD1 3.98Å; I186-L188 HydrophobicContact CB-CD1 4.16Å; I186-L188 HydrophobicContact CG2-CD1 3.57Å; I186-L188 HydrophobicContact CG2-CG 4.29Å; I186-R215 CarbonylContact C-O 3.53Å; I186-R215 VanDerWaalsContact CA-O 3.31Å; I186-R215 WeakPolarHBondContact CA-O 3.23Å; I186-V217 HydrophobicContact CG2-CB 4.09Å; I186-V217 HydrophobicContact CG2-CG2 3.44Å; I186-V217 VanDerWaalsContact CG2-CG2 3.44Å; I186-L278 HydrophobicContact CD1-CD1 4.49Å; I186-I282 HydrophobicContact CD1-CD1 3.99Å
187L96.6Very high91.3Very high1 Ų126 Ų261%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-91.5108.6173.4-58.6-175.4000109.3V64 I185 F189 I204 L207 I214 R215 V216 V217V64-L187 HydrophobicContact CB-CD2 3.78Å; V64-L187 HydrophobicContact CG1-CD2 4.25Å; V64-L187 HydrophobicContact CG2-CD2 4.41Å; V64-L187 CarbonylContact O-C 3.3Å; V64-L187 WeakPolarHBondContact O-CA 3.24Å; I185-L187 HydrophobicContact CG2-CD2 3.95Å; L187-F189 HydrophobicContact CB-CE2 3.9Å; L187-I204 HydrophobicContact CD1-CG1 4.25Å; L187-L207 HydrophobicContact CD2-CD1 4.14Å; L187-I214 HydrophobicContact CD1-CG2 3.64Å; L187-I214 HydrophobicContact CG-CG2 3.91Å; L187-R215 PolarHBondContact N-O 3.22Å; L187-V216 HydrophobicContact CB-CG2 4.2Å; L187-V216 HydrophobicContact CD1-CG2 4.3Å; L187-V216 CarbonylContact O-C 3.49Å; L187-V216 WeakPolarHBondContact O-CA 3.35Å; L187-V217 PolarHBondContact O-N 3.37Å
188L96.2Very high90.9Very high0 Ų031 Ų310%015%0.151CC..EExtended strand (participates in β ladder)trans-92.9127.4-179.6-74.486.7000111.6L63 V64 K71 F74 I186 V217L63-L188 HydrophobicContact CB-CD1 4.21Å; L63-L188 HydrophobicContact CD2-CD1 4.14Å; V64-L188 PolarHBondContact O-N 3.19Å; K71-L188 HydrophobicContact CG-CD1 4.25Å; K71-L188 HydrophobicContact CG-CD2 4.32Å; F74-L188 HydrophobicContact CB-CD2 4.14Å; F74-L188 HydrophobicContact CD2-CD2 4.44Å; F74-L188 HydrophobicContact CG-CD2 4.38Å; I186-L188 HydrophobicContact CB-CD1 4.16Å; I186-L188 HydrophobicContact CG2-CD1 3.57Å; I186-L188 HydrophobicContact CG2-CG 4.29Å; L188-V217 WeakPolarHBondContact CA-O 3.14Å; L188-V217 HydrophobicContact CG-CB 4.33Å
189F95.6Very high90.4Very high4 Ų431.7 Ų31.72%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-117.9147.5171.3-64.5-93.3000110L187 L194 I196 F200 I204 V216 V217 L218 N219 L236 L240L187-F189 HydrophobicContact CB-CE2 3.9Å; F189-L194 HydrophobicContact CB-CD1 4.05Å; F189-L194 HydrophobicContact CD1-CD1 3.78Å; F189-L194 HydrophobicContact CG-CD1 4.22Å; F189-I196 HydrophobicContact CD1-CG1 4.48Å; F189-I196 HydrophobicContact CE1-CD1 3.73Å; F189-I196 HydrophobicContact CE1-CG1 3.85Å; F189-I196 HydrophobicContact CZ-CD1 4.32Å; F189-F200 AromaticContact CD1-CE1 3.93Å; F189-F200 HydrophobicContact CD1-CE1 3.93Å; F189-F200 AromaticContact CE1-CD1 3.96Å; F189-F200 HydrophobicContact CE1-CD1 3.96Å; F189-F200 AromaticContact CE1-CE1 3.24Å; F189-F200 HydrophobicContact CE1-CE1 3.24Å; F189-F200 AromaticContact CE1-CZ 4Å; F189-F200 HydrophobicContact CE1-CZ 4Å; F189-F200 HydrophobicContact CE2-CE1 4.3Å; F189-F200 HydrophobicContact CE2-CZ 4.27Å; F189-F200 HydrophobicContact CZ-CD1 4.39Å; F189-F200 AromaticContact CZ-CE1 3.47Å; F189-F200 HydrophobicContact CZ-CE1 3.47Å; F189-F200 VanDerWaalsContact CZ-CE1 3.47Å; F189-F200 AromaticContact CZ-CZ 3.72Å; F189-F200 HydrophobicContact CZ-CZ 3.72Å; F189-I204 HydrophobicContact CZ-CD1 4.4Å; F189-V216 HydrophobicContact CD2-CG1 3.74Å; F189-V216 HydrophobicContact CE2-CG1 3.82Å; F189-V217 PolarHBondContact N-O 3.38Å; F189-L218 HydrophobicContact CB-CD1 4.07Å; F189-N219 WeakPolarHBondContact O-CB 3.34Å; F189-N219 PolarHBondContact O-N 2.96Å; F189-L236 HydrophobicContact CD1-CD1 3.73Å; F189-L236 HydrophobicContact CD2-CD1 3.83Å; F189-L236 HydrophobicContact CD2-CD2 4.36Å; F189-L236 HydrophobicContact CE1-CD1 3.73Å; F189-L236 HydrophobicContact CE2-CD1 3.84Å; F189-L236 HydrophobicContact CG-CD1 3.77Å; F189-L236 HydrophobicContact CG-CD2 4.47Å; F189-L236 HydrophobicContact CZ-CD1 3.79Å; F189-L240 HydrophobicContact CZ-CD2 4.12Å
190D93.8Very high90.2Very high10 Ų1031.8 Ų31.85%0.05315%0.154CC..EExtended strand (participates in β ladder)trans-94122.7173.7-173.4-41.5000109T69 H192 K193 L194 K220T69-D190 HydrophobicContact CG2-CB 4.28Å; D190-H192 VanDerWaalsContact C-N 3.27Å; D190-H192 PolarHBondContact O-N 2.71Å; D190-H192 WeakPolarHBondContact OD1-CA 3.49Å; D190-H192 WeakPolarHBondContact OD1-CB 3.4Å; D190-H192 PolarHBondContact OD1-N 2.85Å; D190-K193 HydrophobicContact CB-CB 4.48Å; D190-K193 CarbonylContact O-C 3.42Å; D190-K193 PolarHBondContact O-N 2.99Å; D190-K193 PolarHBondContact OD1-N 3.07Å; D190-L194 WeakPolarHBondContact O-CA 3.39Å; D190-L194 PolarHBondContact O-N 2.76Å; D190-L194 VanDerWaalsContact O-N 3.1Å; D190-K220 WeakPolarHBondContact OD2-CD 3.36Å; D190-K220 VanDerWaalsContact OD2-CE 3.26Å; D190-K220 WeakPolarHBondContact OD2-CE 3.37Å; D190-K220 IonicContact OD2-NZ 3.46Å; D190-K220 PolarHBondContact OD2-NZ 3.43Å
191A93.2Very high90.3Very high1 Ų130 Ų301%0.00815%0.148CC..SBendtrans-66-29-178.200000113.1L218 N219 A221 I224A191-L218 HydrophobicContact CB-CD1 3.88Å; A191-L218 HydrophobicContact CB-CG 3.98Å; A191-N219 WeakPolarHBondContact CB-O 3.06Å; A191-N219 PolarHBondContact N-O 3.22Å; A191-A221 HydrophobicContact CB-CB 4.46Å; A191-I224 HydrophobicContact CB-CD1 3.77Å; A191-I224 HydrophobicContact CB-CG1 4.38Å
192H88.6Confident90.1Very high99 Ų9933.8 Ų33.846%0.45817%0.166SC..SBendtrans-79.9-33.4178.2-176.872.9000112D190 Q223 I224D190-H192 VanDerWaalsContact C-N 3.27Å; D190-H192 PolarHBondContact O-N 2.71Å; D190-H192 WeakPolarHBondContact OD1-CA 3.49Å; D190-H192 WeakPolarHBondContact OD1-CB 3.4Å; D190-H192 PolarHBondContact OD1-N 2.85Å; H192-Q223 HydrophobicContact CB-CB 4.49Å; H192-I224 HydrophobicContact CB-CG2 4.37Å
193K85.9Confident89.9Confident147 Ų14733.8 Ų33.864%0.63917%0.167SC*.SBendtrans-124.556.2-177.6-62.7-178.8-178.31770111.9D190 D195D190-K193 HydrophobicContact CB-CB 4.48Å; D190-K193 CarbonylContact O-C 3.42Å; D190-K193 PolarHBondContact O-N 2.99Å; D190-K193 PolarHBondContact OD1-N 3.07Å; K193-D195 PolarHBondContact O-N 3.07Å
194L85.6Confident89.7Confident49 Ų4933.6 Ų33.626%0.25717%0.166SC..  trans-65.8107.6177.8-176.273.5000110F189 D190 V232 A235 L236F189-L194 HydrophobicContact CB-CD1 4.05Å; F189-L194 HydrophobicContact CD1-CD1 3.78Å; F189-L194 HydrophobicContact CG-CD1 4.22Å; D190-L194 WeakPolarHBondContact O-CA 3.39Å; D190-L194 PolarHBondContact O-N 2.76Å; D190-L194 VanDerWaalsContact O-N 3.1Å; L194-V232 HydrophobicContact CB-CG1 3.96Å; L194-V232 HydrophobicContact CD2-CG1 3.9Å; L194-V232 WeakPolarHBondContact CD2-O 3.48Å; L194-V232 HydrophobicContact CG-CG1 4.37Å; L194-A235 HydrophobicContact CD2-CB 3.93Å; L194-L236 HydrophobicContact CD1-CB 4.18Å; L194-L236 HydrophobicContact CD1-CD1 3.99Å; L194-L236 HydrophobicContact CD2-CB 4Å
195D82.1Confident89.4Confident75 Ų7538.3 Ų38.340%0.40119%0.186SC..  trans-135.3138.9171.2-178.828.8000109.4Q66 K193Q66-D195 VanDerWaalsContact CD-O 3.24Å; Q66-D195 PolarHBondContact NE2-O 3.48Å; Q66-D195 PolarHBondContact OE1-O 3.41Å; Q66-D195 VanDerWaalsContact OE1-O 3.13Å; K193-D195 PolarHBondContact O-N 3.07Å
196I84.3Confident88.8Confident29 Ų2939.3 Ų39.315%0.14920%0.195CC..  trans-122.986.2173.5-45.7-164.4000107.3F189 F200 I204 L236 S239 I243F189-I196 HydrophobicContact CD1-CG1 4.48Å; F189-I196 HydrophobicContact CE1-CD1 3.73Å; F189-I196 HydrophobicContact CE1-CG1 3.85Å; F189-I196 HydrophobicContact CZ-CD1 4.32Å; I196-F200 HydrophobicContact CG2-CB 4.41Å; I196-F200 HydrophobicContact CG2-CD1 4.23Å; I196-I204 HydrophobicContact CG2-CD1 4.43Å; I196-L236 HydrophobicContact CD1-CD1 4.18Å; I196-S239 VanDerWaalsContact CD1-CB 3.5Å; I196-I243 HydrophobicContact CG2-CD1 3.79Å
197S83.8Confident88.4Confident11 Ų1139.3 Ų39.38%0.07720%0.195CC..  trans-61.1160.5178.565.80000112Q66 L158 E199 F200 S201Q66-S197 VanDerWaalsContact NE2-N 3.18Å; Q66-S197 PolarHBondContact NE2-OG 2.89Å; L158-S197 PolarHBondContact O-OG 3.11Å; S197-E199 VanDerWaalsContact C-N 3.26Å; S197-E199 PolarHBondContact O-N 3.47Å; S197-F200 PolarHBondContact O-N 3.15Å; S197-F200 PolarHBondContact OG-N 2.89Å; S197-S201 PolarHBondContact O-N 2.89Å; S197-S201 PolarHBondContact O-OG 3.32Å
198D83.1Confident87.6Confident120 Ų12043.7 Ų43.764%0.64221%0.214SC*.Hα-helixtrans-58.7-38.5176.8-66-38.1000112.1S201 E202D198-S201 PolarHBondContact O-N 3.15Å; D198-E202 WeakPolarHBondContact O-CB 3.42Å; D198-E202 PolarHBondContact O-N 3.09Å
199E83.3Confident86.9Confident16 Ų1648.6 Ų48.68%0.07524%0.24CC..Hα-helixtrans-63.2-41174.3-169.5179.7155.800111.7I157 R164 R167 S197 E202 V203I157-E199 HydrophobicContact CG2-CB 3.96Å; I157-E199 HydrophobicContact CG2-CG 3.81Å; R164-E199 WeakPolarHBondContact CG-OE2 3.45Å; R167-E199 IonicContact CZ-OE1 3.48Å; R167-E199 IonicContact NE-OE1 2.68Å; R167-E199 IonicContact NH2-OE1 3.09Å; R167-E199 PolarHBondContact NH2-OE1 2.75Å; S197-E199 VanDerWaalsContact C-N 3.26Å; S197-E199 PolarHBondContact O-N 3.47Å; E199-E202 PolarHBondContact O-N 2.9Å; E199-V203 WeakPolarHBondContact O-CG2 3.28Å; E199-V203 PolarHBondContact O-N 2.81Å
200F88.4Confident86.5Confident1 Ų149.6 Ų49.60%0.00425%0.245CC..Hα-helixtrans-68.9-39.6177.3-165-167.7000111.5V64 Q66 I157 F189 I196 S197 E202 V203 I204V64-F200 HydrophobicContact CG1-CE2 4.06Å; Q66-F200 HydrophobicContact CG-CD1 3.79Å; Q66-F200 HydrophobicContact CG-CE1 4.28Å; Q66-F200 HydrophobicContact CG-CG 4.37Å; I157-F200 HydrophobicContact CD1-CB 4.33Å; I157-F200 HydrophobicContact CD1-CD2 3.28Å; I157-F200 HydrophobicContact CD1-CE2 3.73Å; I157-F200 HydrophobicContact CD1-CG 3.97Å; I157-F200 HydrophobicContact CG2-CB 4.04Å; F189-F200 AromaticContact CD1-CE1 3.93Å; F189-F200 HydrophobicContact CD1-CE1 3.93Å; F189-F200 AromaticContact CE1-CD1 3.96Å; F189-F200 HydrophobicContact CE1-CD1 3.96Å; F189-F200 AromaticContact CE1-CE1 3.24Å; F189-F200 HydrophobicContact CE1-CE1 3.24Å; F189-F200 AromaticContact CE1-CZ 4Å; F189-F200 HydrophobicContact CE1-CZ 4Å; F189-F200 HydrophobicContact CE2-CE1 4.3Å; F189-F200 HydrophobicContact CE2-CZ 4.27Å; F189-F200 HydrophobicContact CZ-CD1 4.39Å; F189-F200 AromaticContact CZ-CE1 3.47Å; F189-F200 HydrophobicContact CZ-CE1 3.47Å; F189-F200 VanDerWaalsContact CZ-CE1 3.47Å; F189-F200 AromaticContact CZ-CZ 3.72Å; F189-F200 HydrophobicContact CZ-CZ 3.72Å; I196-F200 HydrophobicContact CG2-CB 4.41Å; I196-F200 HydrophobicContact CG2-CD1 4.23Å; S197-F200 PolarHBondContact O-N 3.15Å; S197-F200 PolarHBondContact OG-N 2.89Å; F200-E202 VanDerWaalsContact C-N 3.29Å; F200-E202 PolarHBondContact O-N 2.88Å; F200-V203 HydrophobicContact CD2-CB 4.48Å; F200-V203 WeakPolarHBondContact O-CB 3.3Å; F200-V203 PolarHBondContact O-N 3.02Å; F200-I204 HydrophobicContact CD2-CD1 3.98Å; F200-I204 HydrophobicContact CD2-CG1 3.97Å; F200-I204 HydrophobicContact CE2-CD1 4Å; F200-I204 HydrophobicContact CE2-CG1 3.94Å; F200-I204 HydrophobicContact CG-CD1 4.26Å; F200-I204 HydrophobicContact CZ-CD1 4.3Å; F200-I204 VanDerWaalsContact O-CG1 3.3Å; F200-I204 WeakPolarHBondContact O-CG1 3.49Å; F200-I204 PolarHBondContact O-N 3.19Å
201S88.3Confident86.1Confident16 Ų1651.7 Ų51.711%0.11225%0.254CS..Hα-helixtrans-60-39.6173.5-640000112.2S197 D198 I204 K205 I243S197-S201 PolarHBondContact O-N 2.89Å; S197-S201 PolarHBondContact O-OG 3.32Å; D198-S201 PolarHBondContact O-N 3.15Å; S201-I204 PolarHBondContact O-N 2.86Å; S201-K205 WeakPolarHBondContact O-CB 3.5Å; S201-K205 VanDerWaalsContact O-CG 3.24Å; S201-K205 WeakPolarHBondContact O-CG 3.32Å; S201-K205 PolarHBondContact O-N 3.37Å; S201-I243 WeakPolarHBondContact OG-CD1 3.47Å
202E86.4Confident85.8Confident101 Ų10155.4 Ų55.447%0.47227%0.274SS..Hα-helixtrans-66.2-41.1176.8-164.4166.4-164.400111.7R164 D198 E199 F200 K205 A206R164-E202 IonicContact CZ-OE2 2.91Å; R164-E202 IonicContact NH1-OE2 3.77Å; R164-E202 PolarHBondContact NH1-OE2 3.47Å; R164-E202 IonicContact NH2-OE2 3.23Å; R164-E202 PolarHBondContact NH2-OE2 3.21Å; D198-E202 WeakPolarHBondContact O-CB 3.42Å; D198-E202 PolarHBondContact O-N 3.09Å; E199-E202 PolarHBondContact O-N 2.9Å; F200-E202 VanDerWaalsContact C-N 3.29Å; F200-E202 PolarHBondContact O-N 2.88Å; E202-K205 PolarHBondContact O-N 2.97Å; E202-A206 PolarHBondContact O-N 2.89Å
203V89.1Confident86Confident2 Ų250.9 Ų50.91%0.01225%0.253CS..Hα-helixtrans-61.7-49.2171.7166.70000111.4V64 I157 F171 L175 E199 F200 K205 A206 L207V64-V203 HydrophobicContact CG1-CG1 3.96Å; I157-V203 HydrophobicContact CD1-CB 4.23Å; I157-V203 HydrophobicContact CD1-CG1 4.14Å; I157-V203 HydrophobicContact CD1-CG2 4.11Å; F171-V203 HydrophobicContact CD1-CG2 3.94Å; F171-V203 HydrophobicContact CE1-CG2 3.96Å; L175-V203 HydrophobicContact CD1-CB 4.29Å; L175-V203 HydrophobicContact CD1-CG1 3.32Å; L175-V203 HydrophobicContact CD1-CG2 3.95Å; E199-V203 WeakPolarHBondContact O-CG2 3.28Å; E199-V203 PolarHBondContact O-N 2.81Å; F200-V203 HydrophobicContact CD2-CB 4.48Å; F200-V203 WeakPolarHBondContact O-CB 3.3Å; F200-V203 PolarHBondContact O-N 3.02Å; V203-K205 VanDerWaalsContact C-N 3.25Å; V203-K205 PolarHBondContact O-N 3.17Å; V203-A206 WeakPolarHBondContact O-CA 3.31Å; V203-A206 WeakPolarHBondContact O-CB 3.4Å; V203-A206 PolarHBondContact O-N 2.88Å; V203-L207 HydrophobicContact CG1-CD1 4.27Å; V203-L207 WeakPolarHBondContact O-CG 3.45Å; V203-L207 PolarHBondContact O-N 3.06Å; V203-L207 VanDerWaalsContact O-N 3.15Å
204I90.4Very high86.4Confident2 Ų244 Ų441%0.0122%0.223CC..Hα-helixtrans-60.5-38.6179.1-64.8164.5000110.5L187 F189 I196 F200 S201 A206 L207 K208 L240 I243 V244L187-I204 HydrophobicContact CD1-CG1 4.25Å; F189-I204 HydrophobicContact CZ-CD1 4.4Å; I196-I204 HydrophobicContact CG2-CD1 4.43Å; F200-I204 HydrophobicContact CD2-CD1 3.98Å; F200-I204 HydrophobicContact CD2-CG1 3.97Å; F200-I204 HydrophobicContact CE2-CD1 4Å; F200-I204 HydrophobicContact CE2-CG1 3.94Å; F200-I204 HydrophobicContact CG-CD1 4.26Å; F200-I204 HydrophobicContact CZ-CD1 4.3Å; F200-I204 VanDerWaalsContact O-CG1 3.3Å; F200-I204 WeakPolarHBondContact O-CG1 3.49Å; F200-I204 PolarHBondContact O-N 3.19Å; S201-I204 PolarHBondContact O-N 2.86Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 3.33Å; I204-L207 PolarHBondContact O-N 2.86Å; I204-L207 VanDerWaalsContact O-N 3.09Å; I204-K208 PolarHBondContact O-N 3.08Å; I204-L240 HydrophobicContact CD1-CD2 4.2Å; I204-I243 HydrophobicContact CB-CG2 3.83Å; I204-I243 HydrophobicContact CG2-CB 4.49Å; I204-I243 HydrophobicContact CG2-CG2 3.57Å; I204-V244 HydrophobicContact CG2-CG2 3.88Å
205K87.4Confident86.9Confident119 Ų11943.9 Ų43.952%0.51722%0.219SC..Hα-helixtrans-63.7-35.4173.8-74.5168.9-175.1173.50112.9S201 E202 V203 L207 K208 I243S201-K205 WeakPolarHBondContact O-CB 3.5Å; S201-K205 VanDerWaalsContact O-CG 3.24Å; S201-K205 WeakPolarHBondContact O-CG 3.32Å; S201-K205 PolarHBondContact O-N 3.37Å; E202-K205 PolarHBondContact O-N 2.97Å; V203-K205 VanDerWaalsContact C-N 3.25Å; V203-K205 PolarHBondContact O-N 3.17Å; K205-L207 PolarHBondContact O-N 2.77Å; K205-K208 WeakPolarHBondContact O-CB 3.42Å; K205-K208 WeakPolarHBondContact O-CD 3.25Å; K205-K208 WeakPolarHBondContact O-CG 3.18Å; K205-K208 PolarHBondContact O-N 3.38Å; K205-I243 HydrophobicContact CG-CG2 4Å
206A85.9Confident87.6Confident22 Ų2240.3 Ų40.318%0.18220%0.2CC..Hα-helixtrans-65.7-28.4173.900000111.7E202 V203 I204E202-A206 PolarHBondContact O-N 2.89Å; V203-A206 WeakPolarHBondContact O-CA 3.31Å; V203-A206 WeakPolarHBondContact O-CB 3.4Å; V203-A206 PolarHBondContact O-N 2.88Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 3.33Å
207L88.3Confident88.2Confident0 Ų038.9 Ų38.90%019%0.193CC..THydrogen-bonded Turntrans-86.9-2.1179.4-58.5177.3000114.5A179 I185 L187 V203 I204 K205 N209 H210 I214A179-L207 HydrophobicContact CB-CD2 3.4Å; A179-L207 VanDerWaalsContact CB-CD2 3.4Å; I185-L207 HydrophobicContact CD1-CD2 4.1Å; I185-L207 HydrophobicContact CG2-CD1 4.13Å; L187-L207 HydrophobicContact CD2-CD1 4.14Å; V203-L207 HydrophobicContact CG1-CD1 4.27Å; V203-L207 WeakPolarHBondContact O-CG 3.45Å; V203-L207 PolarHBondContact O-N 3.06Å; V203-L207 VanDerWaalsContact O-N 3.15Å; I204-L207 PolarHBondContact O-N 2.86Å; I204-L207 VanDerWaalsContact O-N 3.09Å; K205-L207 PolarHBondContact O-N 2.77Å; L207-N209 PolarHBondContact O-N 2.71Å; L207-N209 VanDerWaalsContact O-N 3.07Å; L207-H210 WeakPolarHBondContact O-CA 3.45Å; L207-H210 PolarHBondContact O-N 2.87Å; L207-I214 HydrophobicContact CB-CD1 4.14Å
208K80.9Confident88.9Confident93 Ų9338.4 Ų38.440%0.40419%0.189SC..G310 helixtrans-55.9-30.4-171.873.4-177.1-176.4170.50114.9I204 K205 H210I204-K208 PolarHBondContact O-N 3.08Å; K205-K208 WeakPolarHBondContact O-CB 3.42Å; K205-K208 WeakPolarHBondContact O-CD 3.25Å; K205-K208 WeakPolarHBondContact O-CG 3.18Å; K205-K208 PolarHBondContact O-N 3.38Å; K208-H210 PolarHBondContact O-N 3.41Å
209N80.1Confident89.5Confident104 Ų10432.7 Ų32.756%0.55616%0.159SC*.G310 helixtrans-79.8-0-179.6-63.4-23.9000112.8L207L207-N209 PolarHBondContact O-N 2.71Å; L207-N209 VanDerWaalsContact O-N 3.07Å
210H86.8Confident90.1Very high24 Ų2433.4 Ų33.411%0.11116%0.162CC..G310 helixtrans-126.626-176.6-55.4-69.4000111.2A179 I185 L207 K208 D212 K213A179-H210 HydrophobicContact CB-CB 4.46Å; I185-H210 HydrophobicContact CD1-CB 4.23Å; L207-H210 WeakPolarHBondContact O-CA 3.45Å; L207-H210 PolarHBondContact O-N 2.87Å; K208-H210 PolarHBondContact O-N 3.41Å; H210-D212 PolarHBondContact O-N 3.18Å; H210-K213 HydrophobicContact CB-CD 4.27Å; H210-K213 HydrophobicContact CB-CG 4.49Å; H210-K213 WeakPolarHBondContact O-CB 3.4Å; H210-K213 PolarHBondContact O-N 3.03Å
211E86.7Confident90.4Very high55 Ų5533.3 Ų33.326%0.25716%0.162SC..G310 helixtrans-58.5-30.6-177.761.3-174.5-157.800113.5K213 I214 T246E211-K213 PolarHBondContact O-N 3.48Å; E211-I214 PolarHBondContact O-N 3.49Å; E211-T246 PolarHBondContact OE1-OG1 3.32Å; E211-T246 WeakPolarHBondContact OE2-CB 3.34Å; E211-T246 VanDerWaalsContact OE2-CG2 3.31Å; E211-T246 WeakPolarHBondContact OE2-CG2 3.42Å; E211-T246 PolarHBondContact OE2-OG1 3.47Å
212D87.3Confident90.6Very high78 Ų7832.6 Ų32.642%0.41716%0.156SC..G310 helixtrans-61.8-25.1174.360-47000113.3R184 H210 R215 K299R184-D212 PolarHBondContact NH1-O 3.43Å; R184-D212 VanDerWaalsContact NH1-O 3.13Å; H210-D212 PolarHBondContact O-N 3.18Å; D212-R215 PolarHBondContact O-NH1 3.44Å; D212-K299 IonicContact OD1-NZ 2.67Å; D212-K299 PolarHBondContact OD1-NZ 3.06Å; D212-K299 IonicContact OD2-NZ 2.96Å; D212-K299 PolarHBondContact OD2-NZ 3.2Å
213K91.8Very high90.9Very high4 Ų430.9 Ų30.92%0.01715%0.148CC..G310 helixtrans-88.3-16177.8-53.1-173.7176.3-170.10112.7A179 V182 R184 I185 H210 E211 D296A179-K213 PolarHBondContact O-NZ 2.92Å; V182-K213 VanDerWaalsContact O-CD 3.3Å; V182-K213 WeakPolarHBondContact O-CD 3.32Å; V182-K213 WeakPolarHBondContact O-CE 3.32Å; V182-K213 PolarHBondContact O-NZ 3.5Å; R184-K213 WeakPolarHBondContact CA-O 3.41Å; I185-K213 HydrophobicContact CD1-CB 4.38Å; I185-K213 HydrophobicContact CG1-CB 4.32Å; I185-K213 PolarHBondContact N-O 2.74Å; H210-K213 HydrophobicContact CB-CD 4.27Å; H210-K213 HydrophobicContact CB-CG 4.49Å; H210-K213 WeakPolarHBondContact O-CB 3.4Å; H210-K213 PolarHBondContact O-N 3.03Å; E211-K213 PolarHBondContact O-N 3.48Å; K213-D296 IonicContact NZ-OD1 2.75Å; K213-D296 IonicContact NZ-OD2 3.32Å; K213-D296 PolarHBondContact NZ-OD2 3.37Å
214I94.3Very high91.1Very high2 Ų230.9 Ų30.91%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-78.6134-172.9-63.9177.1000111I185 L187 L207 E211 V216 I250I185-I214 HydrophobicContact CB-CG1 4.29Å; I185-I214 HydrophobicContact CD1-CG1 4.39Å; I185-I214 CarbonylContact O-C 3.42Å; I185-I214 WeakPolarHBondContact O-CA 3.29Å; L187-I214 HydrophobicContact CD1-CG2 3.64Å; L187-I214 HydrophobicContact CG-CG2 3.91Å; L207-I214 HydrophobicContact CB-CD1 4.14Å; E211-I214 PolarHBondContact O-N 3.49Å; I214-V216 HydrophobicContact CG2-CG2 4.27Å; I214-I250 HydrophobicContact CG2-CD1 4.35Å; I214-I250 HydrophobicContact CG2-CG2 4.07Å
215R95.6Very high91.2Very high47 Ų4736.9 Ų36.918%0.17718%0.176CC..EExtended strand (participates in β ladder)trans-127.9134166.6-66.2-54.1177.6-109.214.2108R184 I185 I186 L187 D212 Y253 D281R184-R215 VanDerWaalsContact CZ-NH2 3.26Å; R184-R215 VanDerWaalsContact NH2-NH2 3.12Å; I185-R215 PolarHBondContact O-N 2.73Å; I186-R215 CarbonylContact C-O 3.53Å; I186-R215 VanDerWaalsContact CA-O 3.31Å; I186-R215 WeakPolarHBondContact CA-O 3.23Å; L187-R215 PolarHBondContact N-O 3.22Å; D212-R215 PolarHBondContact O-NH1 3.44Å; R215-Y253 HydrophobicContact CB-CD2 4.42Å; R215-Y253 HydrophobicContact CB-CE2 3.88Å; R215-Y253 HydrophobicContact CG-CE2 4Å; R215-D281 IonicContact CZ-OD2 3.48Å; R215-D281 IonicContact NE-OD1 2.64Å; R215-D281 IonicContact NE-OD2 2.64Å; R215-D281 PolarHBondContact NE-OD2 3.31Å; R215-D281 IonicContact NH2-OD1 3.42Å; R215-D281 IonicContact NH2-OD2 3.37Å
216V97Very high91.4Very high0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-102.7135.1179.5173.80000108.5L187 F189 I214 L236 L240 I250 R251 V252 Y253L187-V216 HydrophobicContact CB-CG2 4.2Å; L187-V216 HydrophobicContact CD1-CG2 4.3Å; L187-V216 CarbonylContact O-C 3.49Å; L187-V216 WeakPolarHBondContact O-CA 3.35Å; F189-V216 HydrophobicContact CD2-CG1 3.74Å; F189-V216 HydrophobicContact CE2-CG1 3.82Å; I214-V216 HydrophobicContact CG2-CG2 4.27Å; V216-L236 HydrophobicContact CG1-CD2 3.93Å; V216-L240 HydrophobicContact CB-CD1 4.5Å; V216-L240 HydrophobicContact CG1-CD1 4.14Å; V216-L240 HydrophobicContact CG2-CD1 3.78Å; V216-I250 HydrophobicContact CB-CG2 4.31Å; V216-I250 HydrophobicContact CG2-CG2 3.56Å; V216-R251 PolarHBondContact N-O 3.07Å; V216-V252 HydrophobicContact CB-CB 4.43Å; V216-V252 HydrophobicContact CB-CG2 3.95Å; V216-V252 HydrophobicContact CG1-CB 4.43Å; V216-V252 HydrophobicContact CG1-CG1 4.12Å; V216-V252 HydrophobicContact CG1-CG2 3.92Å; V216-V252 CarbonylContact O-C 3.53Å; V216-V252 VanDerWaalsContact O-CA 3.28Å; V216-V252 WeakPolarHBondContact O-CA 3.18Å; V216-Y253 WeakPolarHBondContact O-CD2 3.5Å; V216-Y253 PolarHBondContact O-N 3.26Å
217V98Very high91.7Very high0 Ų039.1 Ų39.10%019%0.188CC..EExtended strand (participates in β ladder)trans-119.5116.1176173.30000108.2I186 L187 L188 F189 N219 Y253 F257 L278I186-V217 HydrophobicContact CG2-CB 4.09Å; I186-V217 HydrophobicContact CG2-CG2 3.44Å; I186-V217 VanDerWaalsContact CG2-CG2 3.44Å; L187-V217 PolarHBondContact O-N 3.37Å; L188-V217 WeakPolarHBondContact CA-O 3.14Å; L188-V217 HydrophobicContact CG-CB 4.33Å; F189-V217 PolarHBondContact N-O 3.38Å; V217-N219 HydrophobicContact CG1-CB 4.22Å; V217-N219 PolarHBondContact O-N 2.81Å; V217-Y253 CarbonylContact C-O 3.57Å; V217-Y253 WeakPolarHBondContact CA-O 3.36Å; V217-Y253 HydrophobicContact CG2-CD2 4.39Å; V217-F257 HydrophobicContact CG1-CD2 3.63Å; V217-F257 HydrophobicContact CG1-CE2 3.31Å; V217-F257 HydrophobicContact CG1-CZ 4.06Å; V217-L278 HydrophobicContact CG2-CD2 3.75Å
218L97.4Very high92Very high0 Ų043.3 Ų43.30%021%0.208CC..EExtended strand (participates in β ladder)trans-89.890.1169.4-175.259.8000107.8F189 A191 L229 V232 L236 V252 Y253 I254 G255F189-L218 HydrophobicContact CB-CD1 4.07Å; A191-L218 HydrophobicContact CB-CD1 3.88Å; A191-L218 HydrophobicContact CB-CG 3.98Å; L218-L229 HydrophobicContact CD2-CD1 3.98Å; L218-V232 HydrophobicContact CD1-CG1 4.09Å; L218-V232 HydrophobicContact CD2-CG1 4.25Å; L218-L236 HydrophobicContact CB-CD2 4.4Å; L218-L236 HydrophobicContact CD1-CD2 4.21Å; L218-V252 HydrophobicContact CB-CG1 4.06Å; L218-Y253 PolarHBondContact N-O 3.45Å; L218-I254 HydrophobicContact CB-CG1 4.45Å; L218-G255 PolarHBondContact O-N 2.84Å; L218-G255 VanDerWaalsContact O-N 3.13Å
219N96.3Very high92.7Very high1 Ų138.9 Ų38.91%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-82.3162.2-174.7-160.915000111.3T69 F189 A191 V217 A221 G255 F257T69-N219 PolarHBondContact O-ND2 3.17Å; F189-N219 WeakPolarHBondContact O-CB 3.34Å; F189-N219 PolarHBondContact O-N 2.96Å; A191-N219 WeakPolarHBondContact CB-O 3.06Å; A191-N219 PolarHBondContact N-O 3.22Å; V217-N219 HydrophobicContact CG1-CB 4.22Å; V217-N219 PolarHBondContact O-N 2.81Å; N219-A221 PolarHBondContact O-N 3.18Å; N219-G255 CarbonylContact C-O 3.55Å; N219-G255 VanDerWaalsContact C-O 3.3Å; N219-G255 VanDerWaalsContact CA-O 3.25Å; N219-G255 WeakPolarHBondContact CA-O 3.33Å; N219-F257 PolarHBondContact OD1-N 3.48Å; N219-F257 VanDerWaalsContact OD1-N 3.11Å
220K94.9Very high93.3Very high30 Ų3038.7 Ų38.713%0.1319%0.185CC..  trans62.727.9179.4-34.7-146.1-176.4143.90113.7S68 D190 D222 Q223 G255 S256 W258S68-K220 VanDerWaalsContact O-CE 3.3Å; S68-K220 WeakPolarHBondContact O-CE 3.46Å; S68-K220 PolarHBondContact O-NZ 2.86Å; D190-K220 WeakPolarHBondContact OD2-CD 3.36Å; D190-K220 VanDerWaalsContact OD2-CE 3.26Å; D190-K220 WeakPolarHBondContact OD2-CE 3.37Å; D190-K220 IonicContact OD2-NZ 3.46Å; D190-K220 PolarHBondContact OD2-NZ 3.43Å; K220-D222 PolarHBondContact O-N 3.18Å; K220-Q223 HydrophobicContact CB-CG 4.01Å; K220-Q223 WeakPolarHBondContact O-CB 3.34Å; K220-Q223 WeakPolarHBondContact O-CG 3.49Å; K220-Q223 PolarHBondContact O-N 3.33Å; K220-Q223 VanDerWaalsContact O-N 3.13Å; K220-G255 PolarHBondContact N-O 2.87Å; K220-S256 VanDerWaalsContact CA-OG 3.3Å; K220-S256 WeakPolarHBondContact CA-OG 3.36Å; K220-W258 HydrophobicContact CB-CH2 3.75Å; K220-W258 HydrophobicContact CB-CZ3 4Å; K220-W258 HydrophobicContact CD-CH2 3.96Å; K220-W258 HydrophobicContact CD-CZ3 3.7Å; K220-W258 HydrophobicContact CG-CH2 3.85Å; K220-W258 HydrophobicContact CG-CZ3 3.57Å
221A95.3Very high93.7Very high0 Ų046.3 Ų46.30%021%0.213CC..G310 helixtrans-64.6-23.1-176.300000112.9A191 N219 Q223 I224 L229 I254 G255 S256 F271A191-A221 HydrophobicContact CB-CB 4.46Å; N219-A221 PolarHBondContact O-N 3.18Å; A221-Q223 PolarHBondContact O-N 2.98Å; A221-I224 WeakPolarHBondContact O-CG1 3.47Å; A221-L229 HydrophobicContact CB-CD1 3.88Å; A221-I254 HydrophobicContact CB-CG2 3.58Å; A221-G255 PolarHBondContact N-O 2.91Å; A221-S256 PolarHBondContact N-OG 3.27Å; A221-F271 HydrophobicContact CB-CD1 4.23Å; A221-F271 HydrophobicContact CB-CE1 3.47Å; A221-F271 VanDerWaalsContact CB-CE1 3.47Å; A221-F271 HydrophobicContact CB-CZ 3.69Å
222D91.9Very high94.2Very high0 Ų044.6 Ų44.60%021%0.206CC..G310 helixtrans-69.6-9.1174.976.7-50.5000114.5K220 I224 S256 W258 L262 L263 I264 F271K220-D222 PolarHBondContact O-N 3.18Å; D222-I224 VanDerWaalsContact C-N 3.33Å; D222-S256 PolarHBondContact N-OG 3.15Å; D222-S256 WeakPolarHBondContact OD1-CB 3.06Å; D222-S256 PolarHBondContact OD1-OG 3.37Å; D222-W258 WeakPolarHBondContact OD1-CH2 3.42Å; D222-W258 WeakPolarHBondContact OD1-CZ2 3.45Å; D222-L262 HydrophobicContact CB-CB 4.17Å; D222-L262 HydrophobicContact CB-CD2 3.75Å; D222-L262 WeakPolarHBondContact OD2-CA 3.49Å; D222-L263 PolarHBondContact OD2-N 3.41Å; D222-I264 VanDerWaalsContact O-CB 3.25Å; D222-I264 WeakPolarHBondContact O-CB 3.48Å; D222-I264 WeakPolarHBondContact O-CG1 3.28Å; D222-I264 PolarHBondContact O-N 3.27Å; D222-F271 HydrophobicContact CB-CE2 3.85Å
223Q92.8Very high94.5Very high65 Ų6544.5 Ų44.530%0.30420%0.201SC..G310 helixtrans-87.7-3.1-179.6-53.4-166-12.900113.4H192 K220 A221 W258 L263H192-Q223 HydrophobicContact CB-CB 4.49Å; K220-Q223 HydrophobicContact CB-CG 4.01Å; K220-Q223 WeakPolarHBondContact O-CB 3.34Å; K220-Q223 WeakPolarHBondContact O-CG 3.49Å; K220-Q223 PolarHBondContact O-N 3.33Å; K220-Q223 VanDerWaalsContact O-N 3.13Å; A221-Q223 PolarHBondContact O-N 2.98Å; Q223-W258 HydrophobicContact CG-CH2 4.4Å; Q223-L263 HydrophobicContact CB-CD1 4.49Å; Q223-L263 HydrophobicContact CG-CD1 3.98Å
224I94.3Very high94.6Very high3 Ų346.1 Ų46.12%0.01522%0.218CC..SBendtrans-134.4150.7-176.660.3173.8000110.9A191 H192 A221 D222 Q228 L229 V232A191-I224 HydrophobicContact CB-CD1 3.77Å; A191-I224 HydrophobicContact CB-CG1 4.38Å; H192-I224 HydrophobicContact CB-CG2 4.37Å; A221-I224 WeakPolarHBondContact O-CG1 3.47Å; D222-I224 VanDerWaalsContact C-N 3.33Å; I224-Q228 HydrophobicContact CB-CB 4.24Å; I224-Q228 HydrophobicContact CB-CG 4.14Å; I224-Q228 HydrophobicContact CD1-CG 4.27Å; I224-Q228 HydrophobicContact CG2-CG 4.35Å; I224-L229 HydrophobicContact CD1-CB 3.93Å; I224-L229 HydrophobicContact CD1-CD1 3.93Å; I224-L229 HydrophobicContact CG1-CB 4.16Å; I224-L229 HydrophobicContact CG1-CD1 4.41Å; I224-V232 HydrophobicContact CD1-CB 4.4Å; I224-V232 HydrophobicContact CD1-CG2 4.1Å
225E92.8Very high94.6Very high127 Ų12748.1 Ų48.159%0.59324%0.235SC*.  trans-69157.5177.4-64175.9-172.700111.9Q227 Q228 L229 I264E225-Q227 VanDerWaalsContact C-N 3.28Å; E225-Q227 PolarHBondContact O-N 2.9Å; E225-Q227 VanDerWaalsContact O-N 3.16Å; E225-Q228 PolarHBondContact O-N 3.38Å; E225-L229 PolarHBondContact O-N 3.32Å; E225-I264 HydrophobicContact CG-CD1 4.33Å
226T91.6Very high94.5Very high47 Ų4745.9 Ų45.929%0.28823%0.227SC..Hα-helixtrans-52.1-42-178.3-51.30000113.4L229 M230 N267T226-L229 WeakPolarHBondContact O-CB 3.31Å; T226-L229 PolarHBondContact O-N 3.19Å; T226-M230 WeakPolarHBondContact O-CG 3.29Å; T226-M230 PolarHBondContact O-N 3.39Å; T226-M230 VanDerWaalsContact O-N 3.12Å; T226-N267 WeakPolarHBondContact CG2-OD1 3.46Å; T226-N267 PolarHBondContact OG1-ND2 3.42Å; T226-N267 PolarHBondContact OG1-OD1 3.31Å
227Q92.3Very high94.3Very high142 Ų14248 Ų4866%0.66424%0.237SC*.Hα-helixtrans-66.8-39.6178.8-66-169.612.500112.4E225 R231E225-Q227 VanDerWaalsContact C-N 3.28Å; E225-Q227 PolarHBondContact O-N 2.9Å; E225-Q227 VanDerWaalsContact O-N 3.16Å; Q227-R231 WeakPolarHBondContact O-CG 3.26Å; Q227-R231 PolarHBondContact O-N 3.26Å
228Q94Very high93.9Very high87 Ų8756.2 Ų56.241%0.40727%0.268SS..Hα-helixtrans-68.6-39.6176.8-175.3173.5-1.200110.6I224 E225 M230 R231 V232I224-Q228 HydrophobicContact CB-CB 4.24Å; I224-Q228 HydrophobicContact CB-CG 4.14Å; I224-Q228 HydrophobicContact CD1-CG 4.27Å; I224-Q228 HydrophobicContact CG2-CG 4.35Å; E225-Q228 PolarHBondContact O-N 3.38Å; Q228-M230 VanDerWaalsContact C-N 3.33Å; Q228-M230 PolarHBondContact O-N 2.88Å; Q228-R231 WeakPolarHBondContact O-CB 3.42Å; Q228-R231 PolarHBondContact O-N 2.71Å; Q228-R231 VanDerWaalsContact O-N 3.1Å; Q228-V232 HydrophobicContact CG-CG2 4.31Å; Q228-V232 WeakPolarHBondContact O-CG2 3.44Å; Q228-V232 PolarHBondContact O-N 2.83Å
229L95.3Very high93.6Very high0 Ų058 Ų580%028%0.28CS..Hα-helixtrans-56.1-45.6175.3-178.860.9000112L218 A221 I224 E225 T226 R231 V232 Y233 I254 F271L218-L229 HydrophobicContact CD2-CD1 3.98Å; A221-L229 HydrophobicContact CB-CD1 3.88Å; I224-L229 HydrophobicContact CD1-CB 3.93Å; I224-L229 HydrophobicContact CD1-CD1 3.93Å; I224-L229 HydrophobicContact CG1-CB 4.16Å; I224-L229 HydrophobicContact CG1-CD1 4.41Å; E225-L229 PolarHBondContact O-N 3.32Å; T226-L229 WeakPolarHBondContact O-CB 3.31Å; T226-L229 PolarHBondContact O-N 3.19Å; L229-R231 VanDerWaalsContact C-N 3.32Å; L229-R231 PolarHBondContact O-N 3.12Å; L229-V232 PolarHBondContact O-N 2.58Å; L229-Y233 VanDerWaalsContact O-CB 3.28Å; L229-Y233 WeakPolarHBondContact O-CB 3.35Å; L229-Y233 PolarHBondContact O-N 2.94Å; L229-I254 HydrophobicContact CD1-CG2 3.88Å; L229-I254 HydrophobicContact CD2-CG2 4.08Å; L229-I254 HydrophobicContact CG-CG2 4.43Å; L229-F271 HydrophobicContact CD2-CE1 4.06Å; L229-F271 HydrophobicContact CD2-CZ 4.44Å
230M93.9Very high93.3Very high100 Ų10058.1 Ų58.149%0.49328%0.281SS..Hα-helixtrans-63.8-35.7177.2-64.9-60.5150.500112.8T226 Q228 G234T226-M230 WeakPolarHBondContact O-CG 3.29Å; T226-M230 PolarHBondContact O-N 3.39Å; T226-M230 VanDerWaalsContact O-N 3.12Å; Q228-M230 VanDerWaalsContact C-N 3.33Å; Q228-M230 PolarHBondContact O-N 2.88Å; M230-G234 PolarHBondContact O-N 3.01Å
231R94.8Very high92.9Very high185 Ų18559 Ų5970%0.69830%0.298SS*.Hα-helixtrans-67.7-45175.3-68175.8-176.3174.34.2111.7Q227 Q228 L229 G234 A235Q227-R231 WeakPolarHBondContact O-CG 3.26Å; Q227-R231 PolarHBondContact O-N 3.26Å; Q228-R231 WeakPolarHBondContact O-CB 3.42Å; Q228-R231 PolarHBondContact O-N 2.71Å; Q228-R231 VanDerWaalsContact O-N 3.1Å; L229-R231 VanDerWaalsContact C-N 3.32Å; L229-R231 PolarHBondContact O-N 3.12Å; R231-G234 PolarHBondContact O-N 3.46Å; R231-A235 WeakPolarHBondContact O-CB 3.35Å; R231-A235 PolarHBondContact O-N 3.15Å
232V95.6Very high92.5Very high18 Ų1865.7 Ų65.711%0.10933%0.328CS..Hα-helixtrans-64.1-46178.2172.20000110.5L194 L218 I224 Q228 L229 G234 A235 L236L194-V232 HydrophobicContact CB-CG1 3.96Å; L194-V232 HydrophobicContact CD2-CG1 3.9Å; L194-V232 WeakPolarHBondContact CD2-O 3.48Å; L194-V232 HydrophobicContact CG-CG1 4.37Å; L218-V232 HydrophobicContact CD1-CG1 4.09Å; L218-V232 HydrophobicContact CD2-CG1 4.25Å; I224-V232 HydrophobicContact CD1-CB 4.4Å; I224-V232 HydrophobicContact CD1-CG2 4.1Å; Q228-V232 HydrophobicContact CG-CG2 4.31Å; Q228-V232 WeakPolarHBondContact O-CG2 3.44Å; Q228-V232 PolarHBondContact O-N 2.83Å; L229-V232 PolarHBondContact O-N 2.58Å; V232-G234 PolarHBondContact O-N 3Å; V232-A235 PolarHBondContact O-N 3.31Å; V232-L236 WeakPolarHBondContact O-CB 3.48Å; V232-L236 PolarHBondContact O-N 2.94Å
233Y94.6Very high92.3Very high77 Ų7767 Ų6730%0.30233%0.334SS..Hα-helixtrans-57.4-48.5175.1178.2-101.2000111.9L229 A235 L236 M237 V252 I254L229-Y233 VanDerWaalsContact O-CB 3.28Å; L229-Y233 WeakPolarHBondContact O-CB 3.35Å; L229-Y233 PolarHBondContact O-N 2.94Å; Y233-A235 VanDerWaalsContact C-N 3.35Å; Y233-A235 PolarHBondContact O-N 3.07Å; Y233-L236 PolarHBondContact O-N 3.13Å; Y233-M237 HydrophobicContact CD1-CG 4.43Å; Y233-M237 HydrophobicContact CE1-CG 4.02Å; Y233-M237 HydrophobicContact CE2-CG 4.12Å; Y233-M237 HydrophobicContact CE2-SD 4.42Å; Y233-M237 WeakPolarHBondContact O-CG 3.24Å; Y233-M237 PolarHBondContact O-N 3.1Å; Y233-V252 HydrophobicContact CD2-CG1 4.23Å; Y233-V252 HydrophobicContact CE2-CB 3.85Å; Y233-V252 HydrophobicContact CE2-CG1 3.93Å; Y233-V252 HydrophobicContact CE2-CG2 4.13Å; Y233-I254 HydrophobicContact CD2-CD1 3.75Å; Y233-I254 HydrophobicContact CD2-CG1 4.37Å; Y233-I254 HydrophobicContact CE2-CD1 4.04Å; Y233-I254 HydrophobicContact CG-CD1 4.42Å
234G94.1Very high91.9Very high38 Ų3864.6 Ų64.639%0.39232%0.324SS..Hα-helixtrans-60-42.4176.300000113.1M230 R231 V232 M237 W238M230-G234 PolarHBondContact O-N 3.01Å; R231-G234 PolarHBondContact O-N 3.46Å; V232-G234 PolarHBondContact O-N 3Å; G234-M237 PolarHBondContact O-N 3.3Å; G234-W238 WeakPolarHBondContact O-CB 3.32Å; G234-W238 PolarHBondContact O-N 3.22Å
235A93.8Very high91.2Very high44 Ų4471.3 Ų71.336%0.36436%0.36SS..Hα-helixtrans-65.3-39.7177.100000112.7L194 R231 V232 Y233 S239L194-A235 HydrophobicContact CD2-CB 3.93Å; R231-A235 WeakPolarHBondContact O-CB 3.35Å; R231-A235 PolarHBondContact O-N 3.15Å; V232-A235 PolarHBondContact O-N 3.31Å; Y233-A235 VanDerWaalsContact C-N 3.35Å; Y233-A235 PolarHBondContact O-N 3.07Å; A235-S239 WeakPolarHBondContact O-CB 3.35Å; A235-S239 PolarHBondContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 3.46Å
236L93.9Very high90.6Very high0 Ų066.7 Ų66.70%034%0.341CS..Hα-helixtrans-62.4-51.3175.2173.963.2000110.8F189 L194 I196 V216 L218 V232 Y233 W238 S239 L240 V252F189-L236 HydrophobicContact CD1-CD1 3.73Å; F189-L236 HydrophobicContact CD2-CD1 3.83Å; F189-L236 HydrophobicContact CD2-CD2 4.36Å; F189-L236 HydrophobicContact CE1-CD1 3.73Å; F189-L236 HydrophobicContact CE2-CD1 3.84Å; F189-L236 HydrophobicContact CG-CD1 3.77Å; F189-L236 HydrophobicContact CG-CD2 4.47Å; F189-L236 HydrophobicContact CZ-CD1 3.79Å; L194-L236 HydrophobicContact CD1-CB 4.18Å; L194-L236 HydrophobicContact CD1-CD1 3.99Å; L194-L236 HydrophobicContact CD2-CB 4Å; I196-L236 HydrophobicContact CD1-CD1 4.18Å; V216-L236 HydrophobicContact CG1-CD2 3.93Å; L218-L236 HydrophobicContact CB-CD2 4.4Å; L218-L236 HydrophobicContact CD1-CD2 4.21Å; V232-L236 WeakPolarHBondContact O-CB 3.48Å; V232-L236 PolarHBondContact O-N 2.94Å; Y233-L236 PolarHBondContact O-N 3.13Å; L236-W238 VanDerWaalsContact C-N 3.33Å; L236-W238 PolarHBondContact O-N 3.41Å; L236-S239 PolarHBondContact O-N 3.36Å; L236-S239 VanDerWaalsContact O-N 3.14Å; L236-L240 HydrophobicContact CD1-CD1 3.81Å; L236-L240 HydrophobicContact CD1-CG 3.93Å; L236-L240 HydrophobicContact CG-CD1 3.95Å; L236-L240 HydrophobicContact CG-CG 4.4Å; L236-L240 WeakPolarHBondContact O-CG 3.47Å; L236-L240 PolarHBondContact O-N 3.05Å; L236-V252 HydrophobicContact CD2-CG1 4.32Å
237M92.2Very high90.1Very high43 Ų4370.7 Ų70.721%0.21237%0.367CS..Hα-helixtrans-61.4-42-179.8-69.3-55.5-7000112.2Y233 G234 S239 G241 V249 V252Y233-M237 HydrophobicContact CD1-CG 4.43Å; Y233-M237 HydrophobicContact CE1-CG 4.02Å; Y233-M237 HydrophobicContact CE2-CG 4.12Å; Y233-M237 HydrophobicContact CE2-SD 4.42Å; Y233-M237 WeakPolarHBondContact O-CG 3.24Å; Y233-M237 PolarHBondContact O-N 3.1Å; G234-M237 PolarHBondContact O-N 3.3Å; M237-S239 VanDerWaalsContact C-N 3.31Å; M237-S239 PolarHBondContact O-N 3.1Å; M237-G241 PolarHBondContact O-N 2.93Å; M237-V249 HydrophobicContact CE-CG1 3.33Å; M237-V252 HydrophobicContact SD-CG2 3.42Å; M237-V252 WeakPolarHBondContact SD-CG2 3.35Å
238W90.7Very high89.6Confident173 Ų17370.5 Ų70.566%0.65537%0.366SS*.Hα-helixtrans-59.7-42.3174.7177.8-100.1000112.3G234 L236 K242G234-W238 WeakPolarHBondContact O-CB 3.32Å; G234-W238 PolarHBondContact O-N 3.22Å; L236-W238 VanDerWaalsContact C-N 3.33Å; L236-W238 PolarHBondContact O-N 3.41Å; W238-K242 VanDerWaalsContact CE2-CE 3.45Å; W238-K242 VanDerWaalsContact NE1-CE 3.27Å; W238-K242 VanDerWaalsContact NE1-NZ 3.18Å; W238-K242 WeakPolarHBondContact O-CG 3.38Å; W238-K242 PolarHBondContact O-N 3Å
239S90.4Very high89.2Confident37 Ų3772 Ų7226%0.25938%0.382SS..Hα-helixtrans-72.6-44.1-178.7-55.20000111.8I196 A235 L236 M237 G241 K242 I243I196-S239 VanDerWaalsContact CD1-CB 3.5Å; A235-S239 WeakPolarHBondContact O-CB 3.35Å; A235-S239 PolarHBondContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 3.46Å; L236-S239 PolarHBondContact O-N 3.36Å; L236-S239 VanDerWaalsContact O-N 3.14Å; M237-S239 VanDerWaalsContact C-N 3.31Å; M237-S239 PolarHBondContact O-N 3.1Å; S239-G241 PolarHBondContact O-N 3.23Å; S239-K242 PolarHBondContact O-N 2.93Å; S239-I243 WeakPolarHBondContact O-CD1 3.28Å; S239-I243 VanDerWaalsContact O-CG1 3.3Å; S239-I243 WeakPolarHBondContact O-CG1 3.38Å; S239-I243 PolarHBondContact O-N 3.33Å
240L89.8Confident88.9Confident5 Ų573.1 Ų73.13%0.02639%0.387CS..Hα-helixtrans-61.6-42.6175-71.8177.8000111.9F189 I204 V216 L236 K242 I243 V244F189-L240 HydrophobicContact CZ-CD2 4.12Å; I204-L240 HydrophobicContact CD1-CD2 4.2Å; V216-L240 HydrophobicContact CB-CD1 4.5Å; V216-L240 HydrophobicContact CG1-CD1 4.14Å; V216-L240 HydrophobicContact CG2-CD1 3.78Å; L236-L240 HydrophobicContact CD1-CD1 3.81Å; L236-L240 HydrophobicContact CD1-CG 3.93Å; L236-L240 HydrophobicContact CG-CD1 3.95Å; L236-L240 HydrophobicContact CG-CG 4.4Å; L236-L240 WeakPolarHBondContact O-CG 3.47Å; L236-L240 PolarHBondContact O-N 3.05Å; L240-K242 VanDerWaalsContact C-N 3.25Å; L240-K242 PolarHBondContact O-N 3.32Å; L240-I243 PolarHBondContact O-N 3.25Å; L240-V244 WeakPolarHBondContact O-CG2 3.4Å; L240-V244 PolarHBondContact O-N 2.91Å
241G87.4Confident88.9Confident47 Ų4772.7 Ų72.749%0.48538%0.38SS..Hα-helixtrans-57.4-38.1177.200000112.8M237 S239 N245M237-G241 PolarHBondContact O-N 2.93Å; S239-G241 PolarHBondContact O-N 3.23Å; G241-N245 PolarHBondContact O-N 3.48Å
242K86.9Confident89Confident142 Ų14264 Ų6462%0.61735%0.347SS*.Hα-helixtrans-70.5-34.4175.4-72.5-179176.5-175.30113.8W238 S239 L240W238-K242 VanDerWaalsContact CE2-CE 3.45Å; W238-K242 VanDerWaalsContact NE1-CE 3.27Å; W238-K242 VanDerWaalsContact NE1-NZ 3.18Å; W238-K242 WeakPolarHBondContact O-CG 3.38Å; W238-K242 PolarHBondContact O-N 3Å; S239-K242 PolarHBondContact O-N 2.93Å; L240-K242 VanDerWaalsContact C-N 3.25Å; L240-K242 PolarHBondContact O-N 3.32Å
243I87.8Confident89.1Confident27 Ų2763.7 Ų63.714%0.13834%0.344CS..Hα-helixtrans-85.2-45.9-172.2-64.6165.5000111.3I196 S201 I204 K205 S239 L240I196-I243 HydrophobicContact CG2-CD1 3.79Å; S201-I243 WeakPolarHBondContact OG-CD1 3.47Å; I204-I243 HydrophobicContact CB-CG2 3.83Å; I204-I243 HydrophobicContact CG2-CB 4.49Å; I204-I243 HydrophobicContact CG2-CG2 3.57Å; K205-I243 HydrophobicContact CG-CG2 4Å; S239-I243 WeakPolarHBondContact O-CD1 3.28Å; S239-I243 VanDerWaalsContact O-CG1 3.3Å; S239-I243 WeakPolarHBondContact O-CG1 3.38Å; S239-I243 PolarHBondContact O-N 3.33Å; L240-I243 PolarHBondContact O-N 3.25Å
244V83.6Confident89.2Confident15 Ų1560.8 Ų60.89%0.09133%0.334CS..Hα-helixtrans-77.2-34.9-175.5-174.20000110.7I204 L240 T246 I250I204-V244 HydrophobicContact CG2-CG2 3.88Å; L240-V244 WeakPolarHBondContact O-CG2 3.4Å; L240-V244 PolarHBondContact O-N 2.91Å; V244-T246 HydrophobicContact CB-CG2 4.3Å; V244-T246 HydrophobicContact CG1-CG2 3.47Å; V244-T246 VanDerWaalsContact CG1-CG2 3.47Å; V244-T246 PolarHBondContact O-N 3.4Å; V244-I250 HydrophobicContact CB-CD1 4.38Å; V244-I250 HydrophobicContact CG1-CD1 4.18Å; V244-I250 HydrophobicContact CG2-CD1 3.76Å
245N80.1Confident89.2Confident143 Ų14359 Ų5977%0.76532%0.315SS*.  trans54.241.1175.9-170.659.2000113G241G241-N245 PolarHBondContact O-N 3.48Å
246T79.9Confident89.1Confident31 Ų3157.4 Ų57.419%0.1930%0.301CS..  trans-113.9144.8172.3-173.30000109E211 V244 E248E211-T246 PolarHBondContact OE1-OG1 3.32Å; E211-T246 WeakPolarHBondContact OE2-CB 3.34Å; E211-T246 VanDerWaalsContact OE2-CG2 3.31Å; E211-T246 WeakPolarHBondContact OE2-CG2 3.42Å; E211-T246 PolarHBondContact OE2-OG1 3.47Å; V244-T246 HydrophobicContact CB-CG2 4.3Å; V244-T246 HydrophobicContact CG1-CG2 3.47Å; V244-T246 VanDerWaalsContact CG1-CG2 3.47Å; V244-T246 PolarHBondContact O-N 3.4Å; T246-E248 HydrophobicContact CG2-CB 4.38Å; T246-E248 WeakPolarHBondContact CG2-O 3.45Å; T246-E248 PolarHBondContact O-N 3.21Å
247P81.1Confident88.9Confident130 Ų13057.4 Ų57.484%0.84430%0.301SS*.SBendtrans-68.5-16.2174.229-35.8000112.7
248E82.4Confident88.5Confident138 Ų13857.5 Ų57.565%0.64530%0.299SS*.SBendtrans-79.8130.3-179.6-61.6-170.2178.900111.8T246 I250T246-E248 HydrophobicContact CG2-CB 4.38Å; T246-E248 WeakPolarHBondContact CG2-O 3.45Å; T246-E248 PolarHBondContact O-N 3.21Å; E248-I250 PolarHBondContact O-N 3.31Å
249V85.2Confident87.8Confident120 Ų12053.9 Ų53.973%0.72730%0.301SS*.PPolyproline II helixtrans-81.7121.3179.5-177.50000109.3M237 R251M237-V249 HydrophobicContact CE-CG1 3.33Å; V249-R251 PolarHBondContact O-N 3.06Å
250I89.6Confident87.1Confident22 Ų2258 Ų5811%0.11332%0.316CS..PPolyproline II helixtrans-69.3131.4176.5-61.8172.4000109.9I214 V216 V244 E248 V252I214-I250 HydrophobicContact CG2-CD1 4.35Å; I214-I250 HydrophobicContact CG2-CG2 4.07Å; V216-I250 HydrophobicContact CB-CG2 4.31Å; V216-I250 HydrophobicContact CG2-CG2 3.56Å; V244-I250 HydrophobicContact CB-CD1 4.38Å; V244-I250 HydrophobicContact CG1-CD1 4.18Å; V244-I250 HydrophobicContact CG2-CD1 3.76Å; E248-I250 PolarHBondContact O-N 3.31Å; I250-V252 PolarHBondContact O-N 2.99Å
251R93.1Very high86.4Confident92 Ų9263.2 Ų63.235%0.34735%0.35SS..PPolyproline II helixtrans-65.5123.6173.5-178.662.5167.8131.2-9.6110.2V216 V249 Y253 E274 D277V216-R251 PolarHBondContact N-O 3.07Å; V249-R251 PolarHBondContact O-N 3.06Å; R251-Y253 HydrophobicContact CG-CD2 4.48Å; R251-Y253 HydrophobicContact CG-CE1 4.02Å; R251-Y253 HydrophobicContact CG-CE2 3.9Å; R251-E274 IonicContact CZ-OE1 2.8Å; R251-E274 IonicContact CZ-OE2 3.79Å; R251-E274 VanDerWaalsContact NH1-CD 3.3Å; R251-E274 IonicContact NH1-OE1 2.75Å; R251-E274 PolarHBondContact NH1-OE1 3.26Å; R251-E274 IonicContact NH1-OE2 2.74Å; R251-E274 PolarHBondContact NH1-OE2 3.39Å; R251-E274 IonicContact NH2-OE1 3.71Å; R251-E274 PolarHBondContact NH2-OE1 3.35Å; R251-E274 IonicContact NH2-OE2 3.45Å; R251-E274 PolarHBondContact NH2-OE2 3.48Å; R251-D277 IonicContact NH2-OD2 3.74Å; R251-D277 PolarHBondContact NH2-OD2 2.94Å
252V96.4Very high86.1Confident2 Ų263.1 Ų63.11%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-105133171.5-179.60000108.7V216 L218 Y233 L236 M237 I250 I254V216-V252 HydrophobicContact CB-CB 4.43Å; V216-V252 HydrophobicContact CB-CG2 3.95Å; V216-V252 HydrophobicContact CG1-CB 4.43Å; V216-V252 HydrophobicContact CG1-CG1 4.12Å; V216-V252 HydrophobicContact CG1-CG2 3.92Å; V216-V252 CarbonylContact O-C 3.53Å; V216-V252 VanDerWaalsContact O-CA 3.28Å; V216-V252 WeakPolarHBondContact O-CA 3.18Å; L218-V252 HydrophobicContact CB-CG1 4.06Å; Y233-V252 HydrophobicContact CD2-CG1 4.23Å; Y233-V252 HydrophobicContact CE2-CB 3.85Å; Y233-V252 HydrophobicContact CE2-CG1 3.93Å; Y233-V252 HydrophobicContact CE2-CG2 4.13Å; L236-V252 HydrophobicContact CD2-CG1 4.32Å; M237-V252 HydrophobicContact SD-CG2 3.42Å; M237-V252 WeakPolarHBondContact SD-CG2 3.35Å; I250-V252 PolarHBondContact O-N 2.99Å; V252-I254 HydrophobicContact CG1-CG1 4.2Å
253Y97.6Very high86Confident12 Ų1262.3 Ų62.35%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-104.5128.1170.6-55.6-85.1000109.5R215 V216 V217 L218 R251 E274 D277 L278R215-Y253 HydrophobicContact CB-CD2 4.42Å; R215-Y253 HydrophobicContact CB-CE2 3.88Å; R215-Y253 HydrophobicContact CG-CE2 4Å; V216-Y253 WeakPolarHBondContact O-CD2 3.5Å; V216-Y253 PolarHBondContact O-N 3.26Å; V217-Y253 CarbonylContact C-O 3.57Å; V217-Y253 WeakPolarHBondContact CA-O 3.36Å; V217-Y253 HydrophobicContact CG2-CD2 4.39Å; L218-Y253 PolarHBondContact N-O 3.45Å; R251-Y253 HydrophobicContact CG-CD2 4.48Å; R251-Y253 HydrophobicContact CG-CE1 4.02Å; R251-Y253 HydrophobicContact CG-CE2 3.9Å; Y253-E274 WeakPolarHBondContact CA-OE2 3.44Å; Y253-E274 VanDerWaalsContact CD1-O 3.28Å; Y253-E274 WeakPolarHBondContact CD1-O 3.44Å; Y253-D277 HydrophobicContact CD1-CB 4.22Å; Y253-D277 HydrophobicContact CE1-CB 3.77Å; Y253-L278 HydrophobicContact CD1-CB 3.75Å; Y253-L278 HydrophobicContact CD2-CB 4.25Å; Y253-L278 HydrophobicContact CD2-CD1 3.76Å; Y253-L278 HydrophobicContact CD2-CG 4.41Å; Y253-L278 HydrophobicContact CE1-CB 3.94Å; Y253-L278 HydrophobicContact CE2-CB 4.42Å; Y253-L278 HydrophobicContact CE2-CD1 3.66Å; Y253-L278 HydrophobicContact CG-CB 3.89Å; Y253-L278 HydrophobicContact CG-CD1 4.27Å; Y253-L278 HydrophobicContact CG-CG 4.46Å
254I96.7Very high85.8Confident15 Ų1563.1 Ų63.18%0.07734%0.344CS..EExtended strand (participates in β ladder)trans-110.6124.1-174.2-55.5174.9000108.5L218 A221 L229 Y233 V252 F271 E274L218-I254 HydrophobicContact CB-CG1 4.45Å; A221-I254 HydrophobicContact CB-CG2 3.58Å; L229-I254 HydrophobicContact CD1-CG2 3.88Å; L229-I254 HydrophobicContact CD2-CG2 4.08Å; L229-I254 HydrophobicContact CG-CG2 4.43Å; Y233-I254 HydrophobicContact CD2-CD1 3.75Å; Y233-I254 HydrophobicContact CD2-CG1 4.37Å; Y233-I254 HydrophobicContact CE2-CD1 4.04Å; Y233-I254 HydrophobicContact CG-CD1 4.42Å; V252-I254 HydrophobicContact CG1-CG1 4.2Å; I254-F271 HydrophobicContact CG2-CD1 4.22Å; I254-F271 HydrophobicContact CG2-CE1 3.97Å; I254-E274 WeakPolarHBondContact O-CB 3.43Å
255G93.8Very high85.6Confident1 Ų165.3 Ų65.31%0.0136%0.358CS..SBendtrans175.6-167.2178.700000113.6L218 N219 K220 A221L218-G255 PolarHBondContact O-N 2.84Å; L218-G255 VanDerWaalsContact O-N 3.13Å; N219-G255 CarbonylContact C-O 3.55Å; N219-G255 VanDerWaalsContact C-O 3.3Å; N219-G255 VanDerWaalsContact CA-O 3.25Å; N219-G255 WeakPolarHBondContact CA-O 3.33Å; K220-G255 PolarHBondContact N-O 2.87Å; A221-G255 PolarHBondContact N-O 2.91Å
256S91.7Very high85.8Confident10 Ų1064.1 Ų64.17%0.0735%0.352CS..  trans-132.499.4176.8-67.40000108.9K220 A221 D222 W258K220-S256 VanDerWaalsContact CA-OG 3.3Å; K220-S256 WeakPolarHBondContact CA-OG 3.36Å; A221-S256 PolarHBondContact N-OG 3.27Å; D222-S256 PolarHBondContact N-OG 3.15Å; D222-S256 WeakPolarHBondContact OD1-CB 3.06Å; D222-S256 PolarHBondContact OD1-OG 3.37Å; S256-W258 VanDerWaalsContact C-N 3.33Å; S256-W258 PolarHBondContact O-N 3.26Å
257F90.9Very high86Confident0 Ų063.7 Ų63.70%035%0.349CS..  trans-90.269.6-167.6-63.2-93.2000110.8F74 Y77 V217 N219 E275 L278 F279F74-F257 HydrophobicContact CD2-CB 3.42Å; F74-F257 VanDerWaalsContact CD2-CB 3.42Å; F74-F257 HydrophobicContact CD2-CD1 4.05Å; F74-F257 HydrophobicContact CD2-CD2 4.33Å; F74-F257 AromaticContact CD2-CG 3.68Å; F74-F257 HydrophobicContact CD2-CG 3.68Å; F74-F257 HydrophobicContact CE2-CB 3.85Å; F74-F257 AromaticContact CE2-CD1 3.52Å; F74-F257 HydrophobicContact CE2-CD1 3.52Å; F74-F257 HydrophobicContact CE2-CD2 4.25Å; F74-F257 HydrophobicContact CE2-CE1 4.11Å; F74-F257 AromaticContact CE2-CG 3.6Å; F74-F257 HydrophobicContact CE2-CG 3.6Å; F74-F257 HydrophobicContact CG-CB 4.48Å; Y77-F257 HydrophobicContact CD1-CB 3.95Å; Y77-F257 HydrophobicContact CE1-CB 4.31Å; Y77-F257 HydrophobicContact CE1-CD1 4.37Å; V217-F257 HydrophobicContact CG1-CD2 3.63Å; V217-F257 HydrophobicContact CG1-CE2 3.31Å; V217-F257 HydrophobicContact CG1-CZ 4.06Å; N219-F257 PolarHBondContact OD1-N 3.48Å; N219-F257 VanDerWaalsContact OD1-N 3.11Å; F257-E275 HydrophobicContact CD1-CG 4.31Å; F257-E275 HydrophobicContact CE1-CB 4.05Å; F257-E275 HydrophobicContact CE1-CG 3.99Å; F257-L278 HydrophobicContact CD1-CD2 4.28Å; F257-L278 HydrophobicContact CE1-CD2 3.52Å; F257-L278 HydrophobicContact CZ-CD2 3.8Å; F257-F279 HydrophobicContact CD1-CE1 4.32Å; F257-F279 HydrophobicContact CE1-CE1 4.45Å
258W82.8Confident86Confident45 Ų4563.6 Ų63.617%0.1733%0.331CS..SBendtrans-152169.1176.258.750.5000111Y77 K220 D222 Q223 S256 H260Y77-W258 VanDerWaalsContact CD2-C 3.43Å; Y77-W258 VanDerWaalsContact CE2-C 3.48Å; Y77-W258 WeakPolarHBondContact CE2-O 3.48Å; K220-W258 HydrophobicContact CB-CH2 3.75Å; K220-W258 HydrophobicContact CB-CZ3 4Å; K220-W258 HydrophobicContact CD-CH2 3.96Å; K220-W258 HydrophobicContact CD-CZ3 3.7Å; K220-W258 HydrophobicContact CG-CH2 3.85Å; K220-W258 HydrophobicContact CG-CZ3 3.57Å; D222-W258 WeakPolarHBondContact OD1-CH2 3.42Å; D222-W258 WeakPolarHBondContact OD1-CZ2 3.45Å; Q223-W258 HydrophobicContact CG-CH2 4.4Å; S256-W258 VanDerWaalsContact C-N 3.33Å; S256-W258 PolarHBondContact O-N 3.26Å; W258-H260 VanDerWaalsContact CD1-O 3.25Å; W258-H260 HydrophobicContact CG-CB 4.36Å; W258-H260 PolarHBondContact NE1-O 3.44Å; W258-H260 PolarHBondContact O-N 2.88Å
259S76.3Confident85.8Confident98 Ų9863.2 Ų63.269%0.68533%0.327SS*.SBendtrans-87.84.6-179.661.50000115.2
260H76.9Confident85.9Confident124 Ų12460.2 Ų60.257%0.57431%0.307SS*.SBendtrans-83.6151.1176.8-5982.3000112.2W258W258-H260 VanDerWaalsContact CD1-O 3.25Å; W258-H260 HydrophobicContact CG-CB 4.36Å; W258-H260 PolarHBondContact NE1-O 3.44Å; W258-H260 PolarHBondContact O-N 2.88Å
261P73.9Confident85.9Confident113 Ų11359.5 Ų59.573%0.73430%0.303SS*.PPolyproline II helixtrans-55.9146.7173.5-24.234000112.9
262L82.3Confident85.4Confident46 Ų4659.1 Ų59.124%0.24131%0.305CS..PPolyproline II helixtrans-64133.2174-58.8177.2000110.6D222 R268 F271D222-L262 HydrophobicContact CB-CB 4.17Å; D222-L262 HydrophobicContact CB-CD2 3.75Å; D222-L262 WeakPolarHBondContact OD2-CA 3.49Å; L262-R268 HydrophobicContact CD1-CB 3.75Å; L262-R268 HydrophobicContact CD1-CG 3.86Å; L262-F271 HydrophobicContact CD1-CD2 4.15Å; L262-F271 HydrophobicContact CD2-CD2 4.1Å
263L83.1Confident84.8Confident124 Ų12460.8 Ų60.865%0.64932%0.32SS*.SBendtrans-70.2-48.8173.6-62.4-175.7000111.4D222 Q223D222-L263 PolarHBondContact OD2-N 3.41Å; Q223-L263 HydrophobicContact CB-CD1 4.49Å; Q223-L263 HydrophobicContact CG-CD1 3.98Å
264I84Confident84.6Confident44 Ų4461.2 Ų61.223%0.22632%0.322CS..SBendtrans-118.4105.5176.1-56.3172.6000108.3D222 E225 D266D222-I264 VanDerWaalsContact O-CB 3.25Å; D222-I264 WeakPolarHBondContact O-CB 3.48Å; D222-I264 WeakPolarHBondContact O-CG1 3.28Å; D222-I264 PolarHBondContact O-N 3.27Å; E225-I264 HydrophobicContact CG-CD1 4.33Å; I264-D266 VanDerWaalsContact C-N 3.33Å; I264-D266 HydrophobicContact CG2-CB 4.19Å; I264-D266 PolarHBondContact O-N 3.13Å
265P80.8Confident84.2Confident61 Ų6161.9 Ų61.940%0.39633%0.325SS..G310 helixtrans-83.7-1.7-172.533.7-36000114.4N267 R268P265-N267 PolarHBondContact O-N 3.11Å; P265-R268 VanDerWaalsContact O-CB 3.23Å; P265-R268 WeakPolarHBondContact O-CB 3.48Å; P265-R268 PolarHBondContact O-N 3.42Å
266D83.2Confident83.9Confident118 Ų11862.9 Ų62.963%0.63133%0.329SS*.G310 helixtrans-51.1-34.8-173.9-66.710.6000114.1I264I264-D266 VanDerWaalsContact C-N 3.33Å; I264-D266 HydrophobicContact CG2-CB 4.19Å; I264-D266 PolarHBondContact O-N 3.13Å
267N84.6Confident83.9Confident23 Ų2365.6 Ų65.612%0.12334%0.343CS..G310 helixtrans-106.518.3-179-58.2-67.9000113.1T226 P265 K269 L270 F271T226-N267 WeakPolarHBondContact CG2-OD1 3.46Å; T226-N267 PolarHBondContact OG1-ND2 3.42Å; T226-N267 PolarHBondContact OG1-OD1 3.31Å; P265-N267 PolarHBondContact O-N 3.11Å; N267-K269 VanDerWaalsContact C-N 3.26Å; N267-K269 PolarHBondContact O-N 3.33Å; N267-K269 VanDerWaalsContact O-N 3.16Å; N267-L270 HydrophobicContact CB-CB 4.44Å; N267-L270 WeakPolarHBondContact O-CA 3.46Å; N267-L270 WeakPolarHBondContact O-CB 3.33Å; N267-L270 PolarHBondContact O-N 3.27Å; N267-F271 HydrophobicContact CB-CD1 4.31Å; N267-F271 HydrophobicContact CB-CE1 3.7Å; N267-F271 HydrophobicContact CB-CE2 4.04Å; N267-F271 HydrophobicContact CB-CZ 3.57Å; N267-F271 WeakPolarHBondContact O-CG 3.37Å; N267-F271 PolarHBondContact O-N 3.5Å
268R81.6Confident84Confident128 Ų12865.6 Ų65.648%0.48334%0.343SS..Hα-helixtrans-46.9-48.3-177.6175.7-179.4-65.8164-0.5112.7L262 P265 L270 F271 E272L262-R268 HydrophobicContact CD1-CB 3.75Å; L262-R268 HydrophobicContact CD1-CG 3.86Å; P265-R268 VanDerWaalsContact O-CB 3.23Å; P265-R268 WeakPolarHBondContact O-CB 3.48Å; P265-R268 PolarHBondContact O-N 3.42Å; R268-L270 VanDerWaalsContact C-N 3.28Å; R268-L270 PolarHBondContact O-N 2.85Å; R268-F271 WeakPolarHBondContact O-CB 3.44Å; R268-F271 PolarHBondContact O-N 3.5Å; R268-E272 VanDerWaalsContact CD-OE1 3.27Å; R268-E272 WeakPolarHBondContact CD-OE1 3.42Å; R268-E272 HydrophobicContact CG-CG 4.29Å; R268-E272 WeakPolarHBondContact CG-OE1 3.48Å; R268-E272 WeakPolarHBondContact O-CG 3.4Å; R268-E272 PolarHBondContact O-N 3.03Å
269K78.5Confident84.5Confident129 Ų12963.4 Ų63.456%0.56134%0.335SS*.Hα-helixtrans-55.9-43179.8-56.5-176.2178.4-138.40112.6N267 A273 E428N267-K269 VanDerWaalsContact C-N 3.26Å; N267-K269 PolarHBondContact O-N 3.33Å; N267-K269 VanDerWaalsContact O-N 3.16Å; K269-A273 WeakPolarHBondContact O-CB 3.37Å; K269-A273 PolarHBondContact O-N 3.17Å; K269-A273 VanDerWaalsContact O-N 3.11Å; K269-E428 WeakPolarHBondContact CD-OE1 3.46Å; K269-E428 WeakPolarHBondContact CE-OE1 2.88Å; K269-E428 VanDerWaalsContact CG-OE1 3.28Å; K269-E428 WeakPolarHBondContact CG-OE1 3.09Å; K269-E428 IonicContact NZ-OE1 2.77Å; K269-E428 PolarHBondContact NZ-OE1 3.15Å
270L86.4Confident85.1Confident57 Ų5762.4 Ų62.430%0.29832%0.318SS..Hα-helixtrans-65.8-45.4177175.265.8000110.2N267 R268 E272 A273 E274N267-L270 HydrophobicContact CB-CB 4.44Å; N267-L270 WeakPolarHBondContact O-CA 3.46Å; N267-L270 WeakPolarHBondContact O-CB 3.33Å; N267-L270 PolarHBondContact O-N 3.27Å; R268-L270 VanDerWaalsContact C-N 3.28Å; R268-L270 PolarHBondContact O-N 2.85Å; L270-E272 PolarHBondContact O-N 3.37Å; L270-A273 PolarHBondContact O-N 3.03Å; L270-E274 HydrophobicContact CD1-CG 3.87Å; L270-E274 HydrophobicContact CG-CG 4.3Å; L270-E274 WeakPolarHBondContact O-CB 3.3Å; L270-E274 WeakPolarHBondContact O-CG 3.47Å; L270-E274 PolarHBondContact O-N 2.93Å
271F89.1Confident85.8Confident8 Ų857.6 Ų57.64%0.03530%0.296CS..Hα-helixtrans-61.6-45.8-178.6-56.4-24.1000112.1A221 D222 L229 I254 L262 N267 R268 E274 E275A221-F271 HydrophobicContact CB-CD1 4.23Å; A221-F271 HydrophobicContact CB-CE1 3.47Å; A221-F271 VanDerWaalsContact CB-CE1 3.47Å; A221-F271 HydrophobicContact CB-CZ 3.69Å; D222-F271 HydrophobicContact CB-CE2 3.85Å; L229-F271 HydrophobicContact CD2-CE1 4.06Å; L229-F271 HydrophobicContact CD2-CZ 4.44Å; I254-F271 HydrophobicContact CG2-CD1 4.22Å; I254-F271 HydrophobicContact CG2-CE1 3.97Å; L262-F271 HydrophobicContact CD1-CD2 4.15Å; L262-F271 HydrophobicContact CD2-CD2 4.1Å; N267-F271 HydrophobicContact CB-CD1 4.31Å; N267-F271 HydrophobicContact CB-CE1 3.7Å; N267-F271 HydrophobicContact CB-CE2 4.04Å; N267-F271 HydrophobicContact CB-CZ 3.57Å; N267-F271 WeakPolarHBondContact O-CG 3.37Å; N267-F271 PolarHBondContact O-N 3.5Å; R268-F271 WeakPolarHBondContact O-CB 3.44Å; R268-F271 PolarHBondContact O-N 3.5Å; F271-E274 PolarHBondContact O-N 3.26Å; F271-E275 VanDerWaalsContact O-CB 3.24Å; F271-E275 WeakPolarHBondContact O-CB 3.29Å; F271-E275 PolarHBondContact O-N 3.1Å
272E83Confident86.7Confident83 Ų8352.3 Ų52.339%0.38826%0.262SS..Hα-helixtrans-65.2-42.1178.5-70.2169.1-176.700111.9R268 L270 E275 Q276R268-E272 VanDerWaalsContact CD-OE1 3.27Å; R268-E272 WeakPolarHBondContact CD-OE1 3.42Å; R268-E272 HydrophobicContact CG-CG 4.29Å; R268-E272 WeakPolarHBondContact CG-OE1 3.48Å; R268-E272 WeakPolarHBondContact O-CG 3.4Å; R268-E272 PolarHBondContact O-N 3.03Å; L270-E272 PolarHBondContact O-N 3.37Å; E272-E275 PolarHBondContact O-N 2.87Å; E272-Q276 VanDerWaalsContact O-CG 3.26Å; E272-Q276 WeakPolarHBondContact O-CG 3.41Å; E272-Q276 PolarHBondContact O-N 2.96Å
273A83.6Confident87Confident38 Ų3851 Ų5131%0.31425%0.254SS..Hα-helixtrans-63.8-44.7177.100000112.1K269 L270 Q276 D277K269-A273 WeakPolarHBondContact O-CB 3.37Å; K269-A273 PolarHBondContact O-N 3.17Å; K269-A273 VanDerWaalsContact O-N 3.11Å; L270-A273 PolarHBondContact O-N 3.03Å; A273-Q276 PolarHBondContact O-N 3.25Å; A273-D277 PolarHBondContact O-N 3.16Å
274E93Very high87.2Confident20 Ų2046.4 Ų46.49%0.09323%0.233CC..Hα-helixtrans-68-36.1178.2-70-67.7144.200112.2R251 Y253 I254 L270 F271 D277 L278R251-E274 IonicContact CZ-OE1 2.8Å; R251-E274 IonicContact CZ-OE2 3.79Å; R251-E274 VanDerWaalsContact NH1-CD 3.3Å; R251-E274 IonicContact NH1-OE1 2.75Å; R251-E274 PolarHBondContact NH1-OE1 3.26Å; R251-E274 IonicContact NH1-OE2 2.74Å; R251-E274 PolarHBondContact NH1-OE2 3.39Å; R251-E274 IonicContact NH2-OE1 3.71Å; R251-E274 PolarHBondContact NH2-OE1 3.35Å; R251-E274 IonicContact NH2-OE2 3.45Å; R251-E274 PolarHBondContact NH2-OE2 3.48Å; Y253-E274 WeakPolarHBondContact CA-OE2 3.44Å; Y253-E274 VanDerWaalsContact CD1-O 3.28Å; Y253-E274 WeakPolarHBondContact CD1-O 3.44Å; I254-E274 WeakPolarHBondContact O-CB 3.43Å; L270-E274 HydrophobicContact CD1-CG 3.87Å; L270-E274 HydrophobicContact CG-CG 4.3Å; L270-E274 WeakPolarHBondContact O-CB 3.3Å; L270-E274 WeakPolarHBondContact O-CG 3.47Å; L270-E274 PolarHBondContact O-N 2.93Å; F271-E274 PolarHBondContact O-N 3.26Å; E274-D277 PolarHBondContact O-N 2.98Å; E274-L278 PolarHBondContact O-N 3.31Å
275E89.7Confident87.6Confident30 Ų3044.3 Ų44.314%0.1422%0.222CC..Hα-helixtrans-61.8-48.7173.1178.8-180171.800111.6Y77 F257 F271 E272 D277 L278 F279Y77-E275 WeakPolarHBondContact CE1-OE1 3.26Å; Y77-E275 VanDerWaalsContact CZ-OE1 3.25Å; Y77-E275 PolarHBondContact OH-OE1 3.21Å; F257-E275 HydrophobicContact CD1-CG 4.31Å; F257-E275 HydrophobicContact CE1-CB 4.05Å; F257-E275 HydrophobicContact CE1-CG 3.99Å; F271-E275 VanDerWaalsContact O-CB 3.24Å; F271-E275 WeakPolarHBondContact O-CB 3.29Å; F271-E275 PolarHBondContact O-N 3.1Å; E272-E275 PolarHBondContact O-N 2.87Å; E275-D277 VanDerWaalsContact C-N 3.33Å; E275-D277 PolarHBondContact O-N 3.49Å; E275-L278 WeakPolarHBondContact O-CB 3.46Å; E275-L278 PolarHBondContact O-N 2.95Å; E275-F279 HydrophobicContact CG-CD1 4.38Å; E275-F279 HydrophobicContact CG-CD2 4.24Å; E275-F279 HydrophobicContact CG-CE1 4.01Å; E275-F279 HydrophobicContact CG-CE2 3.82Å; E275-F279 HydrophobicContact CG-CG 4.49Å; E275-F279 HydrophobicContact CG-CZ 3.71Å; E275-F279 WeakPolarHBondContact O-CB 3.35Å; E275-F279 WeakPolarHBondContact O-CD1 3.48Å; E275-F279 WeakPolarHBondContact O-CG 3.31Å; E275-F279 PolarHBondContact O-N 3.13Å; E275-F279 VanDerWaalsContact OE1-CE2 3.26Å; E275-F279 WeakPolarHBondContact OE1-CE2 3.36Å; E275-F279 WeakPolarHBondContact OE1-CZ 3.45Å
276Q86.8Confident87.9Confident22 Ų2242.8 Ų42.810%0.10321%0.212CC..Hα-helixtrans-61.5-41.1177.4-72175.113.200112.1E272 A273 L278 F279 K280 T417 H424E272-Q276 VanDerWaalsContact O-CG 3.26Å; E272-Q276 WeakPolarHBondContact O-CG 3.41Å; E272-Q276 PolarHBondContact O-N 2.96Å; A273-Q276 PolarHBondContact O-N 3.25Å; Q276-L278 VanDerWaalsContact C-N 3.33Å; Q276-L278 PolarHBondContact O-N 2.87Å; Q276-F279 PolarHBondContact O-N 3.3Å; Q276-K280 WeakPolarHBondContact O-CB 3.4Å; Q276-K280 VanDerWaalsContact O-CG 3.25Å; Q276-K280 WeakPolarHBondContact O-CG 3.39Å; Q276-K280 PolarHBondContact O-N 2.89Å; Q276-T417 HydrophobicContact CG-CG2 4.04Å; Q276-H424 PolarHBondContact OE1-CD2 3.48Å; Q276-H424 PolarHBondContact OE1-NE2 2.81Å
277D91.1Very high87.8Confident66 Ų6642.9 Ų42.935%0.35320%0.204SC..Hα-helixtrans-62-41.1175.7-82-3.3000111.7R251 Y253 A273 E274 E275 D281R251-D277 IonicContact NH2-OD2 3.74Å; R251-D277 PolarHBondContact NH2-OD2 2.94Å; Y253-D277 HydrophobicContact CD1-CB 4.22Å; Y253-D277 HydrophobicContact CE1-CB 3.77Å; A273-D277 PolarHBondContact O-N 3.16Å; E274-D277 PolarHBondContact O-N 2.98Å; E275-D277 VanDerWaalsContact C-N 3.33Å; E275-D277 PolarHBondContact O-N 3.49Å; D277-D281 PolarHBondContact O-N 2.8Å; D277-D281 VanDerWaalsContact O-N 3.11Å
278L93.8Very high87.7Confident0 Ų043.9 Ų43.90%021%0.209CC..Hα-helixtrans-64.6-43.5175.1178.759.6000111.1F74 I186 V217 Y253 F257 E274 E275 Q276 D281 I282F74-L278 HydrophobicContact CE2-CD2 3.81Å; F74-L278 HydrophobicContact CZ-CD2 3.7Å; I186-L278 HydrophobicContact CD1-CD1 4.49Å; V217-L278 HydrophobicContact CG2-CD2 3.75Å; Y253-L278 HydrophobicContact CD1-CB 3.75Å; Y253-L278 HydrophobicContact CD2-CB 4.25Å; Y253-L278 HydrophobicContact CD2-CD1 3.76Å; Y253-L278 HydrophobicContact CD2-CG 4.41Å; Y253-L278 HydrophobicContact CE1-CB 3.94Å; Y253-L278 HydrophobicContact CE2-CB 4.42Å; Y253-L278 HydrophobicContact CE2-CD1 3.66Å; Y253-L278 HydrophobicContact CG-CB 3.89Å; Y253-L278 HydrophobicContact CG-CD1 4.27Å; Y253-L278 HydrophobicContact CG-CG 4.46Å; F257-L278 HydrophobicContact CD1-CD2 4.28Å; F257-L278 HydrophobicContact CE1-CD2 3.52Å; F257-L278 HydrophobicContact CZ-CD2 3.8Å; E274-L278 PolarHBondContact O-N 3.31Å; E275-L278 WeakPolarHBondContact O-CB 3.46Å; E275-L278 PolarHBondContact O-N 2.95Å; Q276-L278 VanDerWaalsContact C-N 3.33Å; Q276-L278 PolarHBondContact O-N 2.87Å; L278-D281 WeakPolarHBondContact O-CB 3.28Å; L278-D281 PolarHBondContact O-N 3.48Å; L278-I282 HydrophobicContact CD1-CD1 4.1Å; L278-I282 HydrophobicContact CD1-CG1 4.39Å; L278-I282 HydrophobicContact CG-CD1 4.03Å; L278-I282 WeakPolarHBondContact O-CG1 3.32Å; L278-I282 PolarHBondContact O-N 3.5Å
279F92.1Very high87.9Confident0 Ų038.3 Ų38.30%019%0.191CC..Hα-helixtrans-68.6-38.5-178-74.29.5000111.8Y77 L78 F257 E275 Q276 D281 I282 Q283 A413 F414 T417Y77-F279 HydrophobicContact CD1-CZ 4.07Å; Y77-F279 HydrophobicContact CE1-CE2 4.36Å; Y77-F279 AromaticContact CE1-CZ 3.63Å; Y77-F279 HydrophobicContact CE1-CZ 3.63Å; L78-F279 HydrophobicContact CD2-CD1 4Å; L78-F279 HydrophobicContact CD2-CE1 3.36Å; L78-F279 HydrophobicContact CD2-CZ 3.74Å; F257-F279 HydrophobicContact CD1-CE1 4.32Å; F257-F279 HydrophobicContact CE1-CE1 4.45Å; E275-F279 HydrophobicContact CG-CD1 4.38Å; E275-F279 HydrophobicContact CG-CD2 4.24Å; E275-F279 HydrophobicContact CG-CE1 4.01Å; E275-F279 HydrophobicContact CG-CE2 3.82Å; E275-F279 HydrophobicContact CG-CG 4.49Å; E275-F279 HydrophobicContact CG-CZ 3.71Å; E275-F279 WeakPolarHBondContact O-CB 3.35Å; E275-F279 WeakPolarHBondContact O-CD1 3.48Å; E275-F279 WeakPolarHBondContact O-CG 3.31Å; E275-F279 PolarHBondContact O-N 3.13Å; E275-F279 VanDerWaalsContact OE1-CE2 3.26Å; E275-F279 WeakPolarHBondContact OE1-CE2 3.36Å; E275-F279 WeakPolarHBondContact OE1-CZ 3.45Å; Q276-F279 PolarHBondContact O-N 3.3Å; F279-D281 VanDerWaalsContact C-N 3.32Å; F279-D281 PolarHBondContact O-N 2.93Å; F279-I282 PolarHBondContact O-N 3.23Å; F279-Q283 VanDerWaalsContact O-CB 3.3Å; F279-Q283 WeakPolarHBondContact O-CB 3.46Å; F279-Q283 VanDerWaalsContact O-CG 3.29Å; F279-Q283 WeakPolarHBondContact O-CG 3.44Å; F279-Q283 PolarHBondContact O-N 2.92Å; F279-A413 HydrophobicContact CD2-CB 4.48Å; F279-A413 HydrophobicContact CE2-CB 3.57Å; F279-A413 WeakPolarHBondContact CE2-O 3.49Å; F279-A413 HydrophobicContact CZ-CB 3.93Å; F279-F414 HydrophobicContact CB-CD1 3.91Å; F279-F414 HydrophobicContact CB-CE1 3.88Å; F279-F414 HydrophobicContact CD1-CE1 4.22Å; F279-F414 HydrophobicContact CD2-CD1 4.23Å; F279-F414 HydrophobicContact CD2-CE1 4.41Å; F279-F414 HydrophobicContact CG-CD1 4.09Å; F279-F414 AromaticContact CG-CE1 3.92Å; F279-F414 HydrophobicContact CG-CE1 3.92Å; F279-T417 HydrophobicContact CD2-CG2 3.57Å; F279-T417 HydrophobicContact CE2-CG2 4.23Å
280K89.2Confident88.1Confident77 Ų7733.2 Ų33.234%0.33517%0.173SC..Hα-helixtrans-59.8-41.5170.5-73.7168-172.6161.90111.5Q276 Q283 S284Q276-K280 WeakPolarHBondContact O-CB 3.4Å; Q276-K280 VanDerWaalsContact O-CG 3.25Å; Q276-K280 WeakPolarHBondContact O-CG 3.39Å; Q276-K280 PolarHBondContact O-N 2.89Å; K280-Q283 PolarHBondContact O-N 3.08Å; K280-S284 WeakPolarHBondContact O-CB 3.29Å; K280-S284 PolarHBondContact O-N 3.39Å; K280-S284 VanDerWaalsContact O-N 3.1Å
281D91.9Very high88.1Confident23 Ų2333 Ų3312%0.12317%0.171CC..Hα-helixtrans-62-44.7176-171.751000111.5R184 R215 D277 L278 F279 S284R184-D281 IonicContact CZ-OD1 2.87Å; R184-D281 IonicContact CZ-OD2 3.48Å; R184-D281 IonicContact NE-OD1 3.58Å; R184-D281 PolarHBondContact NE-OD1 2.67Å; R184-D281 IonicContact NE-OD2 2.76Å; R184-D281 PolarHBondContact NE-OD2 3.32Å; R184-D281 IonicContact NH2-OD1 3.67Å; R184-D281 PolarHBondContact NH2-OD1 2.85Å; R184-D281 IonicContact NH2-OD2 2.68Å; R215-D281 IonicContact CZ-OD2 3.48Å; R215-D281 IonicContact NE-OD1 2.64Å; R215-D281 IonicContact NE-OD2 2.64Å; R215-D281 PolarHBondContact NE-OD2 3.31Å; R215-D281 IonicContact NH2-OD1 3.42Å; R215-D281 IonicContact NH2-OD2 3.37Å; D277-D281 PolarHBondContact O-N 2.8Å; D277-D281 VanDerWaalsContact O-N 3.11Å; L278-D281 WeakPolarHBondContact O-CB 3.28Å; L278-D281 PolarHBondContact O-N 3.48Å; F279-D281 VanDerWaalsContact C-N 3.32Å; F279-D281 PolarHBondContact O-N 2.93Å; D281-S284 PolarHBondContact O-N 3.4Å; D281-S284 PolarHBondContact O-OG 3.02Å
282I92.5Very high88Confident2 Ų234 Ų341%0.0118%0.175CC..Hα-helixtrans-69.5-41.8178.2-62.7169.3000111.8F74 L78 I149 I186 L278 F279 S284 L285 F414F74-I282 HydrophobicContact CZ-CD1 4.48Å; L78-I282 HydrophobicContact CD1-CD1 4.39Å; I149-I282 HydrophobicContact CD1-CG2 3.8Å; I186-I282 HydrophobicContact CD1-CD1 3.99Å; L278-I282 HydrophobicContact CD1-CD1 4.1Å; L278-I282 HydrophobicContact CD1-CG1 4.39Å; L278-I282 HydrophobicContact CG-CD1 4.03Å; L278-I282 WeakPolarHBondContact O-CG1 3.32Å; L278-I282 PolarHBondContact O-N 3.5Å; F279-I282 PolarHBondContact O-N 3.23Å; I282-S284 PolarHBondContact O-N 3.42Å; I282-L285 HydrophobicContact CB-CD1 4.49Å; I282-L285 HydrophobicContact CG2-CD1 4.11Å; I282-L285 VanDerWaalsContact O-CB 3.32Å; I282-L285 WeakPolarHBondContact O-CB 3.47Å; I282-L285 WeakPolarHBondContact O-CG 3.33Å; I282-L285 PolarHBondContact O-N 3Å; I282-L285 VanDerWaalsContact O-N 3.09Å; I282-F414 HydrophobicContact CB-CE1 4.07Å; I282-F414 HydrophobicContact CB-CZ 4.21Å; I282-F414 HydrophobicContact CG2-CE1 4Å; I282-F414 HydrophobicContact CG2-CZ 3.67Å
283Q89.5Confident88.2Confident17 Ų1731.9 Ų31.98%0.07916%0.164CC..Hα-helixtrans-60.3-31176.4-80.9173.9-2100112.5F279 K280 L285 P286 V408 V409 F414F279-Q283 VanDerWaalsContact O-CB 3.3Å; F279-Q283 WeakPolarHBondContact O-CB 3.46Å; F279-Q283 VanDerWaalsContact O-CG 3.29Å; F279-Q283 WeakPolarHBondContact O-CG 3.44Å; F279-Q283 PolarHBondContact O-N 2.92Å; K280-Q283 PolarHBondContact O-N 3.08Å; Q283-L285 PolarHBondContact O-N 3.28Å; Q283-P286 WeakPolarHBondContact O-CD 3.3Å; Q283-V408 WeakPolarHBondContact O-CA 3.5Å; Q283-V409 HydrophobicContact CB-CB 4.5Å; Q283-V409 HydrophobicContact CG-CB 4.06Å; Q283-V409 PolarHBondContact O-N 3.47Å; Q283-F414 HydrophobicContact CG-CB 4.36Å; Q283-F414 HydrophobicContact CG-CD1 3.44Å; Q283-F414 VanDerWaalsContact CG-CD1 3.44Å; Q283-F414 HydrophobicContact CG-CE1 4Å; Q283-F414 HydrophobicContact CG-CG 4.1Å; Q283-F414 PolarHBondContact NE2-O 2.97Å
284S87.6Confident88.5Confident29 Ų2930 Ų3020%0.20315%0.149CC..THydrogen-bonded Turntrans-73.6-9.7178.683.50000114K280 D281 I282 R287 N288K280-S284 WeakPolarHBondContact O-CB 3.29Å; K280-S284 PolarHBondContact O-N 3.39Å; K280-S284 VanDerWaalsContact O-N 3.1Å; D281-S284 PolarHBondContact O-N 3.4Å; D281-S284 PolarHBondContact O-OG 3.02Å; I282-S284 PolarHBondContact O-N 3.42Å; S284-R287 PolarHBondContact O-N 3.19Å; S284-N288 PolarHBondContact O-N 3.09Å; S284-N288 VanDerWaalsContact O-N 3.13Å; S284-N288 PolarHBondContact O-ND2 2.95Å
285L90.8Very high88.3Confident0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-61.3-49.6-171.9-63.5174.7000114.1P59 V61 I149 D183 R184 I282 Q283 R287 N288 A289 R292P59-L285 HydrophobicContact CB-CB 3.98Å; P59-L285 HydrophobicContact CG-CB 4.37Å; V61-L285 HydrophobicContact CG2-CD1 3.47Å; V61-L285 VanDerWaalsContact CG2-CD1 3.47Å; I149-L285 HydrophobicContact CG2-CB 4.32Å; D183-L285 HydrophobicContact CB-CD2 4.18Å; R184-L285 HydrophobicContact CB-CD1 4.41Å; R184-L285 HydrophobicContact CB-CD2 4.49Å; R184-L285 HydrophobicContact CG-CD1 3.93Å; R184-L285 HydrophobicContact CG-CD2 3.35Å; R184-L285 HydrophobicContact CG-CG 4.22Å; I282-L285 HydrophobicContact CB-CD1 4.49Å; I282-L285 HydrophobicContact CG2-CD1 4.11Å; I282-L285 VanDerWaalsContact O-CB 3.32Å; I282-L285 WeakPolarHBondContact O-CB 3.47Å; I282-L285 WeakPolarHBondContact O-CG 3.33Å; I282-L285 PolarHBondContact O-N 3Å; I282-L285 VanDerWaalsContact O-N 3.09Å; Q283-L285 PolarHBondContact O-N 3.28Å; L285-R287 VanDerWaalsContact C-N 3.33Å; L285-R287 PolarHBondContact O-N 2.91Å; L285-N288 CarbonylContact O-C 3.56Å; L285-N288 PolarHBondContact O-N 2.79Å; L285-A289 PolarHBondContact O-N 2.87Å; L285-R292 PolarHBondContact O-NH1 2.82Å
286P87.1Confident88.3Confident28 Ų2832.8 Ų32.818%0.18217%0.165CC..Hα-helixtrans-63.5-39.5-178.2-17.330.7000112.3P59 I149 Q283 N288 A289 A407 V409P59-P286 HydrophobicContact CG-CB 4.46Å; I149-P286 HydrophobicContact CG2-CG 4.09Å; Q283-P286 WeakPolarHBondContact O-CD 3.3Å; P286-N288 VanDerWaalsContact C-N 3.33Å; P286-N288 PolarHBondContact O-N 3.3Å; P286-A289 WeakPolarHBondContact O-CB 3.26Å; P286-A289 PolarHBondContact O-N 2.83Å; P286-A407 WeakPolarHBondContact CB-O 3.37Å; P286-V409 HydrophobicContact CG-CG2 4.03Å
287R81.2Confident88.5Confident120 Ų12032 Ų3245%0.45316%0.162SC..Hα-helixtrans-58.4-43.8175-178.8177.1174174.5-0.4112.4S284 L285 A407S284-R287 PolarHBondContact O-N 3.19Å; L285-R287 VanDerWaalsContact C-N 3.33Å; L285-R287 PolarHBondContact O-N 2.91Å; R287-A407 PolarHBondContact N-O 3.31Å
288N83Confident88.6Confident44 Ų4430.1 Ų30.124%0.23515%0.152CC..Hα-helixtrans-93.44.2-174.2-66.3-28.1000113.3S284 L285 P286 A290 L291 R292S284-N288 PolarHBondContact O-N 3.09Å; S284-N288 VanDerWaalsContact O-N 3.13Å; S284-N288 PolarHBondContact O-ND2 2.95Å; L285-N288 CarbonylContact O-C 3.56Å; L285-N288 PolarHBondContact O-N 2.79Å; P286-N288 VanDerWaalsContact C-N 3.33Å; P286-N288 PolarHBondContact O-N 3.3Å; N288-A290 PolarHBondContact O-N 2.79Å; N288-L291 PolarHBondContact O-N 3.07Å; N288-R292 VanDerWaalsContact CB-NH1 3.28Å; N288-R292 WeakPolarHBondContact O-CG 3.4Å; N288-R292 PolarHBondContact O-N 3.32Å
289A85.1Confident88.4Confident12 Ų1234.3 Ų34.310%0.09917%0.17CC..Hα-helixtrans-62.4-44.3-172.900000112.8P59 L285 P286 L291 R292 K293P59-A289 HydrophobicContact CG-CB 3.78Å; L285-A289 PolarHBondContact O-N 2.87Å; P286-A289 WeakPolarHBondContact O-CB 3.26Å; P286-A289 PolarHBondContact O-N 2.83Å; A289-L291 PolarHBondContact O-N 3.29Å; A289-R292 PolarHBondContact O-N 2.89Å; A289-K293 WeakPolarHBondContact O-CG 3.4Å; A289-K293 PolarHBondContact O-N 3.18Å
290A84Confident88.5Confident22 Ų2235.4 Ų35.418%0.18217%0.174CC..Hα-helixtrans-61-45.1178.600000111.9V21 N288 R292 K293 L294 V397V21-A290 HydrophobicContact CB-CB 4.11Å; V21-A290 HydrophobicContact CG1-CB 3.8Å; V21-A290 HydrophobicContact CG2-CB 4.49Å; N288-A290 PolarHBondContact O-N 2.79Å; A290-R292 PolarHBondContact O-N 2.82Å; A290-K293 PolarHBondContact O-N 2.85Å; A290-L294 WeakPolarHBondContact O-CB 3.47Å; A290-L294 PolarHBondContact O-N 2.9Å; A290-V397 HydrophobicContact CB-CG2 4.39Å
291L85.6Confident88.8Confident52 Ų5231.8 Ų31.827%0.27216%0.158SC..Hα-helixtrans-61.2-43175.6-171.192.4000111.5N288 A289 L294 N295 M394 V397N288-L291 PolarHBondContact O-N 3.07Å; A289-L291 PolarHBondContact O-N 3.29Å; L291-L294 WeakPolarHBondContact O-CB 3.38Å; L291-L294 PolarHBondContact O-N 3.05Å; L291-N295 PolarHBondContact O-N 3.43Å; L291-N295 PolarHBondContact O-ND2 2.97Å; L291-M394 HydrophobicContact CD1-CE 3.88Å; L291-M394 HydrophobicContact CD1-SD 4.14Å; L291-V397 HydrophobicContact CB-CG1 4.21Å; L291-V397 HydrophobicContact CD1-CG1 4.12Å
292R86.8Confident88.9Confident30 Ų3036.4 Ų36.411%0.11317%0.174CC..Hα-helixtrans-64.6-46.6178.1-71.5-169-168.589.53.1112.1L285 N288 A289 A290 L294 N295 D296L285-R292 PolarHBondContact O-NH1 2.82Å; N288-R292 VanDerWaalsContact CB-NH1 3.28Å; N288-R292 WeakPolarHBondContact O-CG 3.4Å; N288-R292 PolarHBondContact O-N 3.32Å; A289-R292 PolarHBondContact O-N 2.89Å; A290-R292 PolarHBondContact O-N 2.82Å; R292-L294 VanDerWaalsContact C-N 3.27Å; R292-L294 PolarHBondContact O-N 2.81Å; R292-N295 WeakPolarHBondContact O-CB 3.3Å; R292-N295 PolarHBondContact O-N 3.16Å; R292-N295 VanDerWaalsContact O-N 3.1Å; R292-D296 PolarHBondContact O-N 2.97Å
293K88.6Confident89Confident37 Ų3738.5 Ų38.516%0.16119%0.185CC..Hα-helixtrans-58.7-39.8175.7-73.4176.5174174.30112.1L25 F55 N57 A289 A290 D296 L297L25-K293 HydrophobicContact CD1-CB 3.74Å; F55-K293 PolarHBondContact O-NZ 2.91Å; N57-K293 PolarHBondContact O-NZ 3.12Å; N57-K293 WeakPolarHBondContact OD1-CE 3.41Å; N57-K293 PolarHBondContact OD1-NZ 3.22Å; A289-K293 WeakPolarHBondContact O-CG 3.4Å; A289-K293 PolarHBondContact O-N 3.18Å; A290-K293 PolarHBondContact O-N 2.85Å; K293-D296 PolarHBondContact O-N 3.22Å; K293-L297 WeakPolarHBondContact O-CB 3.21Å; K293-L297 PolarHBondContact O-N 3.3Å
294L90Very high89.3Confident0 Ų037.8 Ų37.80%018%0.182CC..Hα-helixtrans-62.3-47.3173.4178.968.4000111.8L25 A290 L291 R292 D296 L297 I298 I390 L393 M394L25-L294 HydrophobicContact CD2-CB 4.08Å; L25-L294 HydrophobicContact CD2-CD1 3.54Å; L25-L294 HydrophobicContact CD2-CG 4.43Å; A290-L294 WeakPolarHBondContact O-CB 3.47Å; A290-L294 PolarHBondContact O-N 2.9Å; L291-L294 WeakPolarHBondContact O-CB 3.38Å; L291-L294 PolarHBondContact O-N 3.05Å; R292-L294 VanDerWaalsContact C-N 3.27Å; R292-L294 PolarHBondContact O-N 2.81Å; L294-D296 VanDerWaalsContact C-N 3.34Å; L294-D296 PolarHBondContact O-N 3.09Å; L294-L297 PolarHBondContact O-N 3.45Å; L294-I298 HydrophobicContact CG-CD1 4.2Å; L294-I298 WeakPolarHBondContact O-CG1 3.46Å; L294-I298 PolarHBondContact O-N 3.04Å; L294-I390 HydrophobicContact CD1-CD1 4.34Å; L294-I390 HydrophobicContact CD1-CG1 4.1Å; L294-I390 HydrophobicContact CD1-CG2 4.14Å; L294-I390 HydrophobicContact CD2-CG2 4.45Å; L294-L393 HydrophobicContact CD1-CB 4.37Å; L294-L393 HydrophobicContact CD1-CD1 4.06Å; L294-M394 HydrophobicContact CD2-CG 3.91Å; L294-M394 HydrophobicContact CD2-SD 3.23Å; L294-M394 WeakPolarHBondContact CD2-SD 3.34Å
295N88.8Confident89.8Confident67 Ų6738 Ų3836%0.35818%0.18SC..Hα-helixtrans-61.3-41.4177.4-73.1-24000112.3L291 R292 I298 K299L291-N295 PolarHBondContact O-N 3.43Å; L291-N295 PolarHBondContact O-ND2 2.97Å; R292-N295 WeakPolarHBondContact O-CB 3.3Å; R292-N295 PolarHBondContact O-N 3.16Å; R292-N295 VanDerWaalsContact O-N 3.1Å; N295-I298 WeakPolarHBondContact O-CB 3.46Å; N295-I298 PolarHBondContact O-N 3.43Å; N295-K299 WeakPolarHBondContact O-CG 3.24Å; N295-K299 PolarHBondContact O-N 2.73Å
296D88.4Confident90.1Very high40 Ų4038.1 Ų38.121%0.21418%0.18CC..Hα-helixtrans-66-38.5177.1-75.2-14.8000111.4K213 R292 K293 L294 I298 K299 R300K213-D296 IonicContact NZ-OD1 2.75Å; K213-D296 IonicContact NZ-OD2 3.32Å; K213-D296 PolarHBondContact NZ-OD2 3.37Å; R292-D296 PolarHBondContact O-N 2.97Å; K293-D296 PolarHBondContact O-N 3.22Å; L294-D296 VanDerWaalsContact C-N 3.34Å; L294-D296 PolarHBondContact O-N 3.09Å; D296-I298 PolarHBondContact O-N 3.19Å; D296-K299 PolarHBondContact O-N 2.71Å; D296-R300 VanDerWaalsContact O-CB 3.31Å; D296-R300 WeakPolarHBondContact O-CB 3.34Å; D296-R300 PolarHBondContact O-N 3.37Å
297L91.9Very high90.6Very high6 Ų636.9 Ų36.93%0.03117%0.172CC..Hα-helixtrans-64.1-38.4173-172.266.1000112L25 Y29 L33 K293 L294 R300 A301L25-L297 HydrophobicContact CB-CD2 4.44Å; L25-L297 HydrophobicContact CD2-CD2 3.62Å; Y29-L297 HydrophobicContact CD2-CD1 3.92Å; Y29-L297 HydrophobicContact CG-CD1 4.47Å; L33-L297 HydrophobicContact CD2-CD1 3.8Å; K293-L297 WeakPolarHBondContact O-CB 3.21Å; K293-L297 PolarHBondContact O-N 3.3Å; L294-L297 PolarHBondContact O-N 3.45Å; L297-R300 PolarHBondContact O-N 2.88Å; L297-A301 VanDerWaalsContact O-CB 3.28Å; L297-A301 WeakPolarHBondContact O-CB 3.47Å; L297-A301 PolarHBondContact O-N 3.38Å
298I92.4Very high91.4Very high27 Ų2731.1 Ų31.114%0.13815%0.15CC..Hα-helixtrans-62.5-50.6174.4-69.1163.3000110.8L294 N295 D296 R300 A301 R302 L386 I390L294-I298 HydrophobicContact CG-CD1 4.2Å; L294-I298 WeakPolarHBondContact O-CG1 3.46Å; L294-I298 PolarHBondContact O-N 3.04Å; N295-I298 WeakPolarHBondContact O-CB 3.46Å; N295-I298 PolarHBondContact O-N 3.43Å; D296-I298 PolarHBondContact O-N 3.19Å; I298-R300 VanDerWaalsContact C-N 3.3Å; I298-R300 PolarHBondContact O-N 2.99Å; I298-A301 PolarHBondContact O-N 2.84Å; I298-R302 WeakPolarHBondContact O-CG 3.47Å; I298-R302 PolarHBondContact O-N 3.48Å; I298-L386 HydrophobicContact CB-CD2 4.47Å; I298-L386 HydrophobicContact CG1-CD2 4.3Å; I298-L386 HydrophobicContact CG2-CD2 4.15Å; I298-I390 HydrophobicContact CD1-CD1 3.91Å; I298-I390 HydrophobicContact CD1-CG2 4.04Å; I298-I390 HydrophobicContact CG1-CD1 3.33Å
299K90.3Very high92.1Very high87 Ų8730 Ų3038%0.37814%0.143SC..Hα-helixtrans-57-46.9178.4-72176.9-176.4176.20110D212 N295 D296 A301 R302 L303D212-K299 IonicContact OD1-NZ 2.67Å; D212-K299 PolarHBondContact OD1-NZ 3.06Å; D212-K299 IonicContact OD2-NZ 2.96Å; D212-K299 PolarHBondContact OD2-NZ 3.2Å; N295-K299 WeakPolarHBondContact O-CG 3.24Å; N295-K299 PolarHBondContact O-N 2.73Å; D296-K299 PolarHBondContact O-N 2.71Å; K299-A301 PolarHBondContact O-N 3.13Å; K299-R302 PolarHBondContact O-N 3.13Å; K299-L303 PolarHBondContact O-N 2.88Å; K299-L303 VanDerWaalsContact O-N 3.08Å
300R93.3Very high92.7Very high24 Ų2429.5 Ų29.59%0.09114%0.138CC..Hα-helixtrans-61.1-44.3176.8-172.2179.3179.796.13.5112.6L33 E37 F42 S47 P48 D296 L297 I298 R302 L303 A304L33-R300 HydrophobicContact CD2-CG 4.22Å; E37-R300 WeakPolarHBondContact OE1-CD 3.38Å; E37-R300 IonicContact OE1-CZ 2.9Å; E37-R300 IonicContact OE1-NE 2.9Å; E37-R300 PolarHBondContact OE1-NE 3.07Å; E37-R300 IonicContact OE1-NH2 2.65Å; E37-R300 PolarHBondContact OE1-NH2 2.99Å; E37-R300 IonicContact OE2-CZ 3.79Å; E37-R300 IonicContact OE2-NE 3.42Å; E37-R300 PolarHBondContact OE2-NE 2.74Å; E37-R300 IonicContact OE2-NH2 3.45Å; E37-R300 PolarHBondContact OE2-NH2 3.22Å; F42-R300 HydrophobicContact CZ-CG 4.4Å; S47-R300 PolarHBondContact O-NH2 2.84Å; S47-R300 PolarHBondContact OG-NH1 2.95Å; P48-R300 PolarHBondContact O-NH2 3.36Å; D296-R300 VanDerWaalsContact O-CB 3.31Å; D296-R300 WeakPolarHBondContact O-CB 3.34Å; D296-R300 PolarHBondContact O-N 3.37Å; L297-R300 PolarHBondContact O-N 2.88Å; I298-R300 VanDerWaalsContact C-N 3.3Å; I298-R300 PolarHBondContact O-N 2.99Å; R300-R302 PolarHBondContact O-N 3.21Å; R300-L303 PolarHBondContact O-N 3.21Å; R300-A304 WeakPolarHBondContact O-CB 3.44Å; R300-A304 PolarHBondContact O-N 3.29Å
301A95.5Very high93.3Very high0 Ų028.5 Ų28.50%013%0.13CC..Hα-helixtrans-62.1-42.2179.100000112.5L33 L297 I298 K299 A304 K305 V382 M385 L386L33-A301 HydrophobicContact CD1-CB 4.13Å; L33-A301 HydrophobicContact CD2-CB 3.99Å; L297-A301 VanDerWaalsContact O-CB 3.28Å; L297-A301 WeakPolarHBondContact O-CB 3.47Å; L297-A301 PolarHBondContact O-N 3.38Å; I298-A301 PolarHBondContact O-N 2.84Å; K299-A301 PolarHBondContact O-N 3.13Å; A301-A304 PolarHBondContact O-N 3.13Å; A301-K305 WeakPolarHBondContact O-CG 3.3Å; A301-K305 PolarHBondContact O-N 3.42Å; A301-V382 HydrophobicContact CB-CG1 4.01Å; A301-M385 HydrophobicContact CB-CE 3.59Å; A301-L386 HydrophobicContact CB-CD1 4.45Å; A301-L386 HydrophobicContact CB-CD2 4.02Å; A301-L386 HydrophobicContact CB-CG 4.44Å
302R94.6Very high93.9Very high120 Ų12026.4 Ų26.445%0.45312%0.12SC..Hα-helixtrans-62.1-48.6174.8-69.5-179.8-173.8174.82.5111.3I298 K299 R300 A304 K305 V306I298-R302 WeakPolarHBondContact O-CG 3.47Å; I298-R302 PolarHBondContact O-N 3.48Å; K299-R302 PolarHBondContact O-N 3.13Å; R300-R302 PolarHBondContact O-N 3.21Å; R302-A304 VanDerWaalsContact C-N 3.32Å; R302-A304 PolarHBondContact O-N 3.19Å; R302-K305 WeakPolarHBondContact O-CB 3.47Å; R302-K305 PolarHBondContact O-N 3.22Å; R302-V306 WeakPolarHBondContact O-CG2 3.48Å; R302-V306 PolarHBondContact O-N 3.42Å
303L94.3Very high94.3Very high46 Ų4626 Ų2624%0.24112%0.121CC..Hα-helixtrans-59.6-42.3177.4-177.261.3000111.9F42 H46 K299 R300 K305 V306 H307 P354F42-L303 HydrophobicContact CE2-CB 4.48Å; F42-L303 HydrophobicContact CE2-CD2 4.25Å; F42-L303 HydrophobicContact CE2-CG 4Å; F42-L303 HydrophobicContact CZ-CD2 4.11Å; F42-L303 HydrophobicContact CZ-CG 4.33Å; H46-L303 HydrophobicContact CB-CD2 4.3Å; K299-L303 PolarHBondContact O-N 2.88Å; K299-L303 VanDerWaalsContact O-N 3.08Å; R300-L303 PolarHBondContact O-N 3.21Å; L303-K305 PolarHBondContact O-N 3.45Å; L303-V306 PolarHBondContact O-N 2.83Å; L303-H307 VanDerWaalsContact O-CB 3.29Å; L303-H307 WeakPolarHBondContact O-CB 3.38Å; L303-H307 PolarHBondContact O-N 3.07Å; L303-P354 HydrophobicContact CD1-CB 4.15Å; L303-P354 HydrophobicContact CD1-CG 4.39Å
304A96.9Very high94.7Very high3 Ų324.2 Ų24.23%0.02511%0.114CC..Hα-helixtrans-63.6-39.2177.600000112.7L33 L36 E37 F42 R300 A301 R302 H307 A308L33-A304 HydrophobicContact CD1-CB 3.74Å; L36-A304 HydrophobicContact CD2-CB 4.22Å; E37-A304 HydrophobicContact CG-CB 4.12Å; F42-A304 HydrophobicContact CD2-CB 3.92Å; F42-A304 HydrophobicContact CE2-CB 3.88Å; R300-A304 WeakPolarHBondContact O-CB 3.44Å; R300-A304 PolarHBondContact O-N 3.29Å; A301-A304 PolarHBondContact O-N 3.13Å; R302-A304 VanDerWaalsContact C-N 3.32Å; R302-A304 PolarHBondContact O-N 3.19Å; A304-H307 PolarHBondContact O-N 3.32Å; A304-A308 WeakPolarHBondContact O-CB 3.39Å; A304-A308 PolarHBondContact O-N 3.22Å
305K96.5Very high95Very high34 Ų3427.3 Ų27.315%0.14813%0.127CC..Hα-helixtrans-62.8-48.5172.9-74.6-17869.5-160.70111.9L36 A301 R302 L303 H307 A308 Y309 L379 V382 D383 L386L36-K305 HydrophobicContact CD2-CG 4.14Å; A301-K305 WeakPolarHBondContact O-CG 3.3Å; A301-K305 PolarHBondContact O-N 3.42Å; R302-K305 WeakPolarHBondContact O-CB 3.47Å; R302-K305 PolarHBondContact O-N 3.22Å; L303-K305 PolarHBondContact O-N 3.45Å; K305-H307 VanDerWaalsContact C-N 3.31Å; K305-H307 PolarHBondContact O-N 3.28Å; K305-A308 WeakPolarHBondContact O-CB 3.26Å; K305-A308 PolarHBondContact O-N 3.3Å; K305-Y309 WeakPolarHBondContact O-CD2 3.23Å; K305-Y309 PolarHBondContact O-N 3.42Å; K305-L379 HydrophobicContact CB-CD2 4.36Å; K305-L379 HydrophobicContact CG-CD2 4.1Å; K305-V382 HydrophobicContact CD-CB 4.41Å; K305-V382 HydrophobicContact CD-CG1 3.85Å; K305-V382 HydrophobicContact CG-CB 4.37Å; K305-V382 HydrophobicContact CG-CG1 3.87Å; K305-D383 VanDerWaalsContact CE-OD1 3.26Å; K305-D383 WeakPolarHBondContact CE-OD1 3.34Å; K305-D383 IonicContact NZ-OD1 2.77Å; K305-D383 PolarHBondContact NZ-OD1 3.23Å; K305-D383 IonicContact NZ-OD2 2.82Å; K305-L386 HydrophobicContact CD-CD1 4.18Å
306V97.1Very high95.2Very high2 Ų233 Ų331%0.01215%0.148CC..Hα-helixtrans-58.9-46177.8175.90000110.7R302 L303 A308 Y309 I310 I348 D352 F353R302-V306 WeakPolarHBondContact O-CG2 3.48Å; R302-V306 PolarHBondContact O-N 3.42Å; L303-V306 PolarHBondContact O-N 2.83Å; V306-A308 VanDerWaalsContact C-N 3.35Å; V306-A308 PolarHBondContact O-N 3.39Å; V306-Y309 PolarHBondContact O-N 3.42Å; V306-I310 HydrophobicContact CG1-CD1 3.83Å; V306-I310 HydrophobicContact CG1-CG1 4.45Å; V306-I310 WeakPolarHBondContact O-CG1 3.31Å; V306-I310 PolarHBondContact O-N 3.26Å; V306-I348 HydrophobicContact CG2-CD1 3.96Å; V306-I348 HydrophobicContact CG2-CG2 3.66Å; V306-D352 HydrophobicContact CG2-CB 4Å; V306-F353 HydrophobicContact CG1-CD1 3.55Å; V306-F353 HydrophobicContact CG1-CD2 4.45Å; V306-F353 HydrophobicContact CG1-CE1 3.75Å; V306-F353 HydrophobicContact CG1-CG 3.95Å; V306-F353 HydrophobicContact CG1-CZ 4.29Å
307H97.8Very high95.5Very high1 Ų133.6 Ų33.61%0.00515%0.15CC..Hα-helixtrans-58.3-44.8175.4-177.673.7000112.2Y40 F42 F45 H46 L303 A304 K305 Y309 I310 I311Y40-H307 PolarHBondContact O-CD2 3.29Å; Y40-H307 PolarHBondContact O-NE2 3.47Å; F42-H307 HydrophobicContact CD2-CB 4.18Å; F45-H307 AromaticContact CD2-CE1 3.39Å; F45-H307 WeakPolarHBondContact CD2-CE1 3.32Å; F45-H307 AromaticContact CD2-NE2 3.8Å; F45-H307 AromaticContact CE2-CE1 3.92Å; F45-H307 AromaticContact CG-CE1 3.59Å; H46-H307 AromaticContact CD2-CG 3.85Å; H46-H307 AromaticContact CD2-ND1 3.65Å; H46-H307 AromaticContact NE2-CE1 3.66Å; H46-H307 AromaticContact NE2-CG 3.44Å; H46-H307 AromaticContact NE2-ND1 2.93Å; H46-H307 PolarHBondContact NE2-ND1 3.41Å; L303-H307 VanDerWaalsContact O-CB 3.29Å; L303-H307 WeakPolarHBondContact O-CB 3.38Å; L303-H307 PolarHBondContact O-N 3.07Å; A304-H307 PolarHBondContact O-N 3.32Å; K305-H307 VanDerWaalsContact C-N 3.31Å; K305-H307 PolarHBondContact O-N 3.28Å; H307-Y309 VanDerWaalsContact C-N 3.31Å; H307-Y309 PolarHBondContact O-N 2.81Å; H307-I310 PolarHBondContact O-N 3.5Å; H307-I311 WeakPolarHBondContact NE2-CG1 3.32Å; H307-I311 VanDerWaalsContact O-CG1 3.31Å; H307-I311 WeakPolarHBondContact O-CG1 3.35Å; H307-I311 PolarHBondContact O-N 3.49Å
308A97.9Very high95.6Very high0 Ų034.3 Ų34.30%015%0.153CC..Hα-helixtrans-59.4-40.4176.500000112.5L36 Y40 A304 K305 V306 S312 L379L36-A308 HydrophobicContact CD1-CB 4.02Å; L36-A308 HydrophobicContact CG-CB 4.4Å; Y40-A308 HydrophobicContact CD1-CB 4.25Å; Y40-A308 HydrophobicContact CD2-CB 3.43Å; Y40-A308 VanDerWaalsContact CD2-CB 3.43Å; Y40-A308 HydrophobicContact CE2-CB 3.77Å; Y40-A308 HydrophobicContact CG-CB 3.72Å; A304-A308 WeakPolarHBondContact O-CB 3.39Å; A304-A308 PolarHBondContact O-N 3.22Å; K305-A308 WeakPolarHBondContact O-CB 3.26Å; K305-A308 PolarHBondContact O-N 3.3Å; V306-A308 VanDerWaalsContact C-N 3.35Å; V306-A308 PolarHBondContact O-N 3.39Å; A308-S312 WeakPolarHBondContact O-CB 3.15Å; A308-S312 PolarHBondContact O-N 3Å; A308-S312 PolarHBondContact O-OG 2.88Å; A308-L379 HydrophobicContact CB-CD2 4.33Å
309Y98.1Very high95.5Very high21 Ų2135 Ų358%0.08216%0.16CC..Hα-helixtrans-64.9-43.4174-66.9-52.9000112.4K305 V306 H307 S312 S313 I342 H346 I348 L374 L379K305-Y309 WeakPolarHBondContact O-CD2 3.23Å; K305-Y309 PolarHBondContact O-N 3.42Å; V306-Y309 PolarHBondContact O-N 3.42Å; H307-Y309 VanDerWaalsContact C-N 3.31Å; H307-Y309 PolarHBondContact O-N 2.81Å; Y309-S312 PolarHBondContact O-N 3.47Å; Y309-S313 WeakPolarHBondContact O-CB 3.48Å; Y309-S313 PolarHBondContact O-N 3.43Å; Y309-S313 PolarHBondContact O-OG 3.38Å; Y309-I342 HydrophobicContact CD2-CG2 4.38Å; Y309-I342 HydrophobicContact CG-CG2 4.34Å; Y309-H346 AromaticContact CD1-CD2 3.97Å; Y309-H346 AromaticContact CD1-CE1 3.75Å; Y309-H346 AromaticContact CD1-NE2 3.54Å; Y309-H346 AromaticContact CE1-CE1 3.37Å; Y309-H346 WeakPolarHBondContact CE1-CE1 3.41Å; Y309-H346 AromaticContact CE1-ND1 3.65Å; Y309-H346 AromaticContact CE1-NE2 3.67Å; Y309-H346 HydrophobicContact CE2-CB 4.29Å; Y309-H346 AromaticContact CZ-CE1 3.84Å; Y309-H346 AromaticContact CZ-CG 3.93Å; Y309-H346 AromaticContact CZ-ND1 3.61Å; Y309-I348 HydrophobicContact CD2-CD1 3.69Å; Y309-I348 HydrophobicContact CE2-CD1 3.77Å; Y309-L374 HydrophobicContact CD1-CD1 3.8Å; Y309-L374 HydrophobicContact CD1-CD2 4.24Å; Y309-L374 HydrophobicContact CE1-CD1 4.13Å; Y309-L374 HydrophobicContact CE1-CD2 4.11Å; Y309-L379 HydrophobicContact CD1-CD1 4.37Å; Y309-L379 HydrophobicContact CE1-CD1 3.53Å; Y309-L379 HydrophobicContact CE1-CD2 4.41Å
310I97.6Very high95.2Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-59.9-54.4177.8-67.1162.8000110.1V306 H307 S312 S313 L314 L335 Y339 I342 F353 P354 M359V306-I310 HydrophobicContact CG1-CD1 3.83Å; V306-I310 HydrophobicContact CG1-CG1 4.45Å; V306-I310 WeakPolarHBondContact O-CG1 3.31Å; V306-I310 PolarHBondContact O-N 3.26Å; H307-I310 PolarHBondContact O-N 3.5Å; I310-S312 VanDerWaalsContact C-N 3.3Å; I310-S312 PolarHBondContact O-N 3Å; I310-S313 PolarHBondContact O-N 3.27Å; I310-L314 HydrophobicContact CG2-CD1 4.06Å; I310-L314 WeakPolarHBondContact O-CG 3.45Å; I310-L314 PolarHBondContact O-N 2.91Å; I310-L335 HydrophobicContact CG2-CD1 4.16Å; I310-Y339 HydrophobicContact CD1-CD1 4.17Å; I310-Y339 HydrophobicContact CD1-CE1 3.44Å; I310-Y339 VanDerWaalsContact CD1-CE1 3.44Å; I310-Y339 HydrophobicContact CG1-CD1 4.16Å; I310-Y339 HydrophobicContact CG1-CE1 3.75Å; I310-Y339 HydrophobicContact CG2-CE1 4.19Å; I310-I342 HydrophobicContact CB-CD1 4.38Å; I310-I342 HydrophobicContact CG1-CD1 3.81Å; I310-F353 HydrophobicContact CD1-CD1 4.28Å; I310-P354 HydrophobicContact CD1-CG 3.99Å; I310-M359 HydrophobicContact CG2-CE 4.37Å
311I97.7Very high94.5Very high1 Ų139.8 Ų39.81%0.00520%0.203CC..Hα-helixtrans-60.5-41.3-178.4-65.1-60.1000111.3Y40 F45 H307 L314 K315 M359 F371Y40-I311 HydrophobicContact CD1-CB 4.13Å; Y40-I311 HydrophobicContact CD1-CG2 3.87Å; F45-I311 HydrophobicContact CE2-CD1 4.1Å; F45-I311 HydrophobicContact CZ-CD1 4.03Å; H307-I311 WeakPolarHBondContact NE2-CG1 3.32Å; H307-I311 VanDerWaalsContact O-CG1 3.31Å; H307-I311 WeakPolarHBondContact O-CG1 3.35Å; H307-I311 PolarHBondContact O-N 3.49Å; I311-L314 PolarHBondContact O-N 3.49Å; I311-K315 WeakPolarHBondContact O-CB 3.42Å; I311-K315 PolarHBondContact O-N 3.44Å; I311-M359 HydrophobicContact CD1-CE 4.13Å; I311-F371 HydrophobicContact CD1-CD2 4.17Å; I311-F371 HydrophobicContact CD1-CE1 4.37Å; I311-F371 HydrophobicContact CD1-CE2 3.66Å; I311-F371 HydrophobicContact CD1-CZ 3.79Å; I311-F371 HydrophobicContact CG2-CB 3.73Å; I311-F371 HydrophobicContact CG2-CD1 4.11Å; I311-F371 HydrophobicContact CG2-CD2 3.73Å; I311-F371 HydrophobicContact CG2-CE2 4.31Å; I311-F371 HydrophobicContact CG2-CG 3.61Å
312S96.8Very high94.1Very high9 Ų948.3 Ų48.36%0.06324%0.241CC..Hα-helixtrans-68.8-38.9179-60.60000112.8Y40 A308 Y309 I310 K315 K316 L374Y40-S312 WeakPolarHBondContact CE1-OG 3.47Å; A308-S312 WeakPolarHBondContact O-CB 3.15Å; A308-S312 PolarHBondContact O-N 3Å; A308-S312 PolarHBondContact O-OG 2.88Å; Y309-S312 PolarHBondContact O-N 3.47Å; I310-S312 VanDerWaalsContact C-N 3.3Å; I310-S312 PolarHBondContact O-N 3Å; S312-K315 PolarHBondContact O-N 2.89Å; S312-K316 WeakPolarHBondContact O-CB 3.26Å; S312-K316 PolarHBondContact O-N 3.47Å; S312-L374 WeakPolarHBondContact OG-CA 3.33Å; S312-L374 WeakPolarHBondContact OG-CD1 3.49Å; S312-L374 PolarHBondContact OG-N 2.92Å
313S96.4Very high93.9Very high20 Ų2044.8 Ų44.814%0.1424%0.242CC..Hα-helixtrans-63.9-44.8174.5-83.70000111.5Y309 I310 K315 K316 E317Y309-S313 WeakPolarHBondContact O-CB 3.48Å; Y309-S313 PolarHBondContact O-N 3.43Å; Y309-S313 PolarHBondContact O-OG 3.38Å; I310-S313 PolarHBondContact O-N 3.27Å; S313-K315 VanDerWaalsContact C-N 3.32Å; S313-K315 PolarHBondContact O-N 3.24Å; S313-K316 PolarHBondContact O-N 3.35Å; S313-E317 PolarHBondContact O-N 3.25Å; S313-E317 VanDerWaalsContact O-N 3.12Å
314L96.1Very high93.7Very high0 Ų045.9 Ų45.90%025%0.245CC..Hα-helixtrans-58.5-45.3173.8-68.3172.3000111.2I310 I311 K316 E317 M318 L331 L335 I338 L363 L368 F371I310-L314 HydrophobicContact CG2-CD1 4.06Å; I310-L314 WeakPolarHBondContact O-CG 3.45Å; I310-L314 PolarHBondContact O-N 2.91Å; I311-L314 PolarHBondContact O-N 3.49Å; L314-K316 VanDerWaalsContact C-N 3.34Å; L314-K316 PolarHBondContact O-N 3.09Å; L314-E317 PolarHBondContact O-N 3.27Å; L314-M318 VanDerWaalsContact O-CG 3.26Å; L314-M318 WeakPolarHBondContact O-CG 3.49Å; L314-M318 PolarHBondContact O-N 3Å; L314-L331 HydrophobicContact CD2-CB 3.82Å; L314-L331 HydrophobicContact CD2-CD1 4.27Å; L314-L331 HydrophobicContact CD2-CD2 4.48Å; L314-L331 HydrophobicContact CD2-CG 4.43Å; L314-L335 HydrophobicContact CD2-CD1 4.37Å; L314-I338 HydrophobicContact CD2-CD1 3.76Å; L314-L363 HydrophobicContact CD1-CD1 3.8Å; L314-L363 HydrophobicContact CD1-CD2 3.75Å; L314-L363 HydrophobicContact CD1-CG 4.47Å; L314-L368 HydrophobicContact CB-CD2 4.34Å; L314-L368 HydrophobicContact CD2-CD2 4.37Å; L314-F371 HydrophobicContact CB-CD2 4.28Å; L314-F371 HydrophobicContact CB-CE2 4.45Å; L314-F371 HydrophobicContact CD1-CE2 4.17Å
315K95.7Very high93.5Very high66 Ų6651.5 Ų51.529%0.28727%0.27SS..Hα-helixtrans-60.6-41.6176.3178.654.2177.3179.10112.6I311 S312 S313 E317 M318 T369 F371I311-K315 WeakPolarHBondContact O-CB 3.42Å; I311-K315 PolarHBondContact O-N 3.44Å; S312-K315 PolarHBondContact O-N 2.89Å; S313-K315 VanDerWaalsContact C-N 3.32Å; S313-K315 PolarHBondContact O-N 3.24Å; K315-E317 VanDerWaalsContact C-N 3.3Å; K315-E317 PolarHBondContact O-N 2.85Å; K315-M318 PolarHBondContact O-N 3.21Å; K315-T369 PolarHBondContact NZ-O 2.7Å; K315-F371 HydrophobicContact CB-CB 3.86Å; K315-F371 HydrophobicContact CD-CB 4.29Å; K315-F371 WeakPolarHBondContact CD-O 3.21Å; K315-F371 WeakPolarHBondContact CE-O 3.32Å; K315-F371 HydrophobicContact CG-CB 4.33Å; K315-F371 WeakPolarHBondContact CG-O 3.28Å
316K94.8Very high93.4Very high185 Ų18555.6 Ų55.680%0.80429%0.294SS*.Hα-helixtrans-63.9-35-179.4-174.2-179177.5-175.70112.3S312 S313 L314S312-K316 WeakPolarHBondContact O-CB 3.26Å; S312-K316 PolarHBondContact O-N 3.47Å; S313-K316 PolarHBondContact O-N 3.35Å; L314-K316 VanDerWaalsContact C-N 3.34Å; L314-K316 PolarHBondContact O-N 3.09Å
317E93.9Very high93.3Very high54 Ų5457.7 Ų57.725%0.25230%0.303SS..Hα-helixtrans-87.5-7.6-179.5-65.1-166.6-149.300114.3S313 L314 K315 K327 L331 R341S313-E317 PolarHBondContact O-N 3.25Å; S313-E317 VanDerWaalsContact O-N 3.12Å; L314-E317 PolarHBondContact O-N 3.27Å; K315-E317 VanDerWaalsContact C-N 3.3Å; K315-E317 PolarHBondContact O-N 2.85Å; E317-K327 WeakPolarHBondContact O-CE 3.39Å; E317-L331 HydrophobicContact CB-CD1 4.12Å; E317-L331 HydrophobicContact CB-CD2 3.7Å; E317-L331 HydrophobicContact CG-CD2 4.32Å; E317-L331 WeakPolarHBondContact OE2-CD2 3.13Å; E317-R341 IonicContact OE1-CZ 3.99Å; E317-R341 IonicContact OE1-NH1 3.34Å; E317-R341 PolarHBondContact OE1-NH1 3.18Å; E317-R341 IonicContact OE1-NH2 3.01Å
318M93.3Very high93.1Very high20 Ų2058.7 Ų58.710%0.09931%0.307CS..SBendtrans-78.6131.8179.6-80.1-67.1-68.600112.8L314 K315 K324 K327 K328 L331 L368 T369L314-M318 VanDerWaalsContact O-CG 3.26Å; L314-M318 WeakPolarHBondContact O-CG 3.49Å; L314-M318 PolarHBondContact O-N 3Å; K315-M318 PolarHBondContact O-N 3.21Å; M318-K324 HydrophobicContact CE-CB 4.03Å; M318-K324 HydrophobicContact CE-CG 4.28Å; M318-K327 HydrophobicContact SD-CG 4.43Å; M318-K328 HydrophobicContact SD-CB 4.47Å; M318-L331 HydrophobicContact CG-CD1 4.07Å; M318-L331 HydrophobicContact SD-CD1 3.85Å; M318-L368 HydrophobicContact CE-CB 3.99Å; M318-L368 HydrophobicContact CG-CB 3.76Å; M318-L368 HydrophobicContact CG-CD2 4.27Å; M318-L368 HydrophobicContact SD-CB 3.91Å; M318-L368 HydrophobicContact SD-CD2 3.96Å; M318-T369 HydrophobicContact CE-CG2 3.63Å
319P90.9Very high93Very high43 Ų4364.9 Ų64.928%0.27933%0.334SS..  trans-72.8146.217729.8-35.7000111.6F322 K324 K327P319-F322 WeakPolarHBondContact CB-O 3.26Å; P319-F322 VanDerWaalsContact CG-O 3.25Å; P319-F322 WeakPolarHBondContact CG-O 3.41Å; P319-K324 HydrophobicContact CG-CG 4.15Å; P319-K324 VanDerWaalsContact O-CE 3.29Å; P319-K324 WeakPolarHBondContact O-CE 3.45Å; P319-K327 HydrophobicContact CG-CB 4.23Å
320S84.2Confident92.9Very high108 Ų10868.9 Ų68.976%0.75535%0.354SS*.SBendtrans-76.4-28.4-176.7-67.30000113.7K324S320-K324 VanDerWaalsContact C-CE 3.48Å; S320-K324 WeakPolarHBondContact O-CE 3.39Å; S320-K324 PolarHBondContact O-NZ 2.95Å
321V79.5Confident92.9Very high102 Ų10268.9 Ų68.962%0.61835%0.354SS*.SBendtrans-123.8-63.2-166.7-164.60000113.5
322F86.8Confident92.8Very high179 Ų17969.1 Ų69.179%0.78536%0.355SS*.SBendtrans-118.1157.6-175.5-69.2-79.4000112.9P319 K324P319-F322 WeakPolarHBondContact CB-O 3.26Å; P319-F322 VanDerWaalsContact CG-O 3.25Å; P319-F322 WeakPolarHBondContact CG-O 3.41Å; F322-K324 PolarHBondContact O-N 3.36Å
323G89.6Confident92.8Very high46 Ų4672.4 Ų72.447%0.47438%0.383SS..  trans78.612.4173.300000116.1E325 N326 K327G323-E325 PolarHBondContact O-N 3.46Å; G323-N326 PolarHBondContact O-N 2.76Å; G323-K327 WeakPolarHBondContact O-CB 3.21Å; G323-K327 PolarHBondContact O-N 3.13Å
324K91Very high92.8Very high70 Ų7073 Ų7330%0.30439%0.387SS..Hα-helixtrans-56.2-46.7-174.3-68.9169.7173.5-179.40113.8M318 P319 S320 F322 K327 K328 T369M318-K324 HydrophobicContact CE-CB 4.03Å; M318-K324 HydrophobicContact CE-CG 4.28Å; P319-K324 HydrophobicContact CG-CG 4.15Å; P319-K324 VanDerWaalsContact O-CE 3.29Å; P319-K324 WeakPolarHBondContact O-CE 3.45Å; S320-K324 VanDerWaalsContact C-CE 3.48Å; S320-K324 WeakPolarHBondContact O-CE 3.39Å; S320-K324 PolarHBondContact O-NZ 2.95Å; F322-K324 PolarHBondContact O-N 3.36Å; K324-K327 PolarHBondContact O-N 3.06Å; K324-K328 WeakPolarHBondContact O-CB 3.41Å; K324-K328 PolarHBondContact O-N 3.42Å; K324-T369 HydrophobicContact CD-CG2 3.82Å; K324-T369 HydrophobicContact CG-CG2 4.24Å
325E91.6Very high92.8Very high120 Ų12073 Ų7356%0.56139%0.387SS*.Hα-helixtrans-65.8-44.3-178.7-73.6-56.7137.100112.7G323 K328 K329G323-E325 PolarHBondContact O-N 3.46Å; E325-K328 PolarHBondContact O-N 2.85Å; E325-K329 WeakPolarHBondContact O-CG 3.43Å; E325-K329 PolarHBondContact O-N 2.55Å; E325-K329 VanDerWaalsContact O-N 3.1Å
326N93.7Very high92.9Very high120 Ų12070.9 Ų70.964%0.64238%0.384SS*.Hα-helixtrans-65.3-43.4177.4-70.5-14000110.7G323 K328 K329 E330G323-N326 PolarHBondContact O-N 2.76Å; N326-K328 PolarHBondContact O-N 2.53Å; N326-K329 PolarHBondContact O-N 2.95Å; N326-E330 PolarHBondContact O-N 2.91Å
327K95.1Very high93Very high46 Ų4666.7 Ų66.720%0.237%0.37CS..Hα-helixtrans-65.2-39.5177.5-170.363.3178.3175.40112E317 M318 P319 G323 K324 K329 E330 L331E317-K327 WeakPolarHBondContact O-CE 3.39Å; M318-K327 HydrophobicContact SD-CG 4.43Å; P319-K327 HydrophobicContact CG-CB 4.23Å; G323-K327 WeakPolarHBondContact O-CB 3.21Å; G323-K327 PolarHBondContact O-N 3.13Å; K324-K327 PolarHBondContact O-N 3.06Å; K327-K329 PolarHBondContact O-N 3.5Å; K327-E330 WeakPolarHBondContact CD-OE2 3.43Å; K327-E330 IonicContact NZ-OE1 2.89Å; K327-E330 PolarHBondContact NZ-OE1 3.42Å; K327-E330 IonicContact NZ-OE2 3.49Å; K327-E330 WeakPolarHBondContact O-CB 3.33Å; K327-E330 PolarHBondContact O-N 3.26Å; K327-L331 HydrophobicContact CD-CG 4.38Å; K327-L331 HydrophobicContact CG-CD1 4.03Å; K327-L331 HydrophobicContact CG-CG 4.21Å; K327-L331 WeakPolarHBondContact O-CB 3.42Å; K327-L331 VanDerWaalsContact O-CG 3.26Å; K327-L331 WeakPolarHBondContact O-CG 3.38Å; K327-L331 PolarHBondContact O-N 3Å
328K95Very high93.1Very high23 Ų2364.1 Ų64.110%0.136%0.358CS..Hα-helixtrans-56.2-49.1173.3171.8179.2172.6-1780111.2M318 K324 E325 N326 E330 L331 I332 L363 Q364 Q366 L368M318-K328 HydrophobicContact SD-CB 4.47Å; K324-K328 WeakPolarHBondContact O-CB 3.41Å; K324-K328 PolarHBondContact O-N 3.42Å; E325-K328 PolarHBondContact O-N 2.85Å; N326-K328 PolarHBondContact O-N 2.53Å; K328-E330 VanDerWaalsContact C-N 3.34Å; K328-E330 PolarHBondContact O-N 3.04Å; K328-L331 PolarHBondContact O-N 3.13Å; K328-I332 HydrophobicContact CG-CD1 3.79Å; K328-I332 VanDerWaalsContact O-CG1 3.29Å; K328-I332 WeakPolarHBondContact O-CG1 3.46Å; K328-I332 PolarHBondContact O-N 3.2Å; K328-L363 WeakPolarHBondContact CE-O 3.3Å; K328-Q364 WeakPolarHBondContact CE-O 3.47Å; K328-Q364 PolarHBondContact NZ-O 3.01Å; K328-Q366 VanDerWaalsContact CE-O 3.32Å; K328-Q366 WeakPolarHBondContact CE-O 3.4Å; K328-Q366 PolarHBondContact NZ-O 3.45Å; K328-L368 HydrophobicContact CB-CD2 4.31Å; K328-L368 HydrophobicContact CD-CD1 3.95Å; K328-L368 HydrophobicContact CG-CD1 3.94Å; K328-L368 HydrophobicContact CG-CD2 4.06Å
329K95.6Very high93.3Very high130 Ų13064.2 Ų64.257%0.56536%0.357SS*.Hα-helixtrans-60.5-43.6178-71.1178.3-178.6179.40112.1E325 N326 K327 I332 A333E325-K329 WeakPolarHBondContact O-CG 3.43Å; E325-K329 PolarHBondContact O-N 2.55Å; E325-K329 VanDerWaalsContact O-N 3.1Å; N326-K329 PolarHBondContact O-N 2.95Å; K327-K329 PolarHBondContact O-N 3.5Å; K329-I332 PolarHBondContact O-N 2.93Å; K329-A333 WeakPolarHBondContact O-CB 3.31Å; K329-A333 PolarHBondContact O-N 2.89Å
330E96.5Very high93.5Very high105 Ų10567.3 Ų67.349%0.49137%0.366SS..Hα-helixtrans-60.9-45.5176.3-172.9-161.9136.400112N326 K327 K328 A333 S334N326-E330 PolarHBondContact O-N 2.91Å; K327-E330 WeakPolarHBondContact CD-OE2 3.43Å; K327-E330 IonicContact NZ-OE1 2.89Å; K327-E330 PolarHBondContact NZ-OE1 3.42Å; K327-E330 IonicContact NZ-OE2 3.49Å; K327-E330 WeakPolarHBondContact O-CB 3.33Å; K327-E330 PolarHBondContact O-N 3.26Å; K328-E330 VanDerWaalsContact C-N 3.34Å; K328-E330 PolarHBondContact O-N 3.04Å; E330-A333 PolarHBondContact O-N 3.29Å; E330-S334 WeakPolarHBondContact O-CB 3.37Å; E330-S334 PolarHBondContact O-N 3.23Å; E330-S334 PolarHBondContact O-OG 3.29Å
331L96.1Very high94.1Very high0 Ų066.8 Ų66.80%035%0.348CS..Hα-helixtrans-65.6-40.4179.2-72.5173.4000112.4L314 E317 M318 K327 K328 S334 L335 I338 L368L314-L331 HydrophobicContact CD2-CB 3.82Å; L314-L331 HydrophobicContact CD2-CD1 4.27Å; L314-L331 HydrophobicContact CD2-CD2 4.48Å; L314-L331 HydrophobicContact CD2-CG 4.43Å; E317-L331 HydrophobicContact CB-CD1 4.12Å; E317-L331 HydrophobicContact CB-CD2 3.7Å; E317-L331 HydrophobicContact CG-CD2 4.32Å; E317-L331 WeakPolarHBondContact OE2-CD2 3.13Å; M318-L331 HydrophobicContact CG-CD1 4.07Å; M318-L331 HydrophobicContact SD-CD1 3.85Å; K327-L331 HydrophobicContact CD-CG 4.38Å; K327-L331 HydrophobicContact CG-CD1 4.03Å; K327-L331 HydrophobicContact CG-CG 4.21Å; K327-L331 WeakPolarHBondContact O-CB 3.42Å; K327-L331 VanDerWaalsContact O-CG 3.26Å; K327-L331 WeakPolarHBondContact O-CG 3.38Å; K327-L331 PolarHBondContact O-N 3Å; K328-L331 PolarHBondContact O-N 3.13Å; L331-S334 CarbonylContact O-C 3.58Å; L331-S334 PolarHBondContact O-N 3.23Å; L331-S334 PolarHBondContact O-OG 3.44Å; L331-L335 PolarHBondContact O-N 3.15Å; L331-I338 HydrophobicContact CD2-CD1 4Å; L331-L368 HydrophobicContact CD1-CD2 4.18Å
332I96.1Very high94.9Very high5 Ų562 Ų623%0.02632%0.318CS..Hα-helixtrans-66.9-42.2176.6-64.5168.2000110.1K328 K329 S334 L335 Q360 L363K328-I332 HydrophobicContact CG-CD1 3.79Å; K328-I332 VanDerWaalsContact O-CG1 3.29Å; K328-I332 WeakPolarHBondContact O-CG1 3.46Å; K328-I332 PolarHBondContact O-N 3.2Å; K329-I332 PolarHBondContact O-N 2.93Å; I332-S334 VanDerWaalsContact C-N 3.34Å; I332-S334 PolarHBondContact O-N 2.95Å; I332-L335 VanDerWaalsContact O-CB 3.31Å; I332-L335 WeakPolarHBondContact O-CB 3.45Å; I332-L335 PolarHBondContact O-N 3.41Å; I332-Q360 HydrophobicContact CG2-CB 3.75Å; I332-Q360 HydrophobicContact CG2-CG 3.87Å; I332-Q360 WeakPolarHBondContact O-CG 3.48Å; I332-Q360 PolarHBondContact O-NE2 3.43Å; I332-L363 HydrophobicContact CD1-CB 3.92Å; I332-L363 HydrophobicContact CG1-CB 3.93Å; I332-L363 HydrophobicContact CG1-CD1 4.49Å
333A96.6Very high95.3Very high79 Ų7956.6 Ų56.665%0.65330%0.296SS*.Hα-helixtrans-63.5-38.817700000112.5K329 E330K329-A333 WeakPolarHBondContact O-CB 3.31Å; K329-A333 PolarHBondContact O-N 2.89Å; E330-A333 PolarHBondContact O-N 3.29Å
334S96.5Very high95.6Very high33 Ų3363.4 Ų63.423%0.23131%0.307CS..THydrogen-bonded Turntrans-91.412.6179.558.40000114.3E330 L331 I332 G336 D337 I338E330-S334 WeakPolarHBondContact O-CB 3.37Å; E330-S334 PolarHBondContact O-N 3.23Å; E330-S334 PolarHBondContact O-OG 3.29Å; L331-S334 CarbonylContact O-C 3.58Å; L331-S334 PolarHBondContact O-N 3.23Å; L331-S334 PolarHBondContact O-OG 3.44Å; I332-S334 VanDerWaalsContact C-N 3.34Å; I332-S334 PolarHBondContact O-N 2.95Å; S334-G336 PolarHBondContact O-N 2.8Å; S334-G336 VanDerWaalsContact O-N 3.1Å; S334-D337 PolarHBondContact O-N 3.5Å; S334-I338 PolarHBondContact O-N 3.07Å
335L96.8Very high95.8Very high0 Ų065.9 Ų65.90%032%0.32CS..Hα-helixtrans-56.7-32.3-176.5-172.565.6000113.1I310 L314 L331 I332 D337 I338 Y339 L356 M359 Q360 L363I310-L335 HydrophobicContact CG2-CD1 4.16Å; L314-L335 HydrophobicContact CD2-CD1 4.37Å; L331-L335 PolarHBondContact O-N 3.15Å; I332-L335 VanDerWaalsContact O-CB 3.31Å; I332-L335 WeakPolarHBondContact O-CB 3.45Å; I332-L335 PolarHBondContact O-N 3.41Å; L335-D337 VanDerWaalsContact C-N 3.3Å; L335-D337 PolarHBondContact O-N 3.11Å; L335-I338 HydrophobicContact CD1-CB 4.45Å; L335-I338 HydrophobicContact CD1-CD1 4.32Å; L335-I338 WeakPolarHBondContact O-CB 3.49Å; L335-I338 PolarHBondContact O-N 2.82Å; L335-Y339 HydrophobicContact CD1-CD1 4.17Å; L335-Y339 HydrophobicContact CD1-CE1 3.73Å; L335-Y339 HydrophobicContact CD2-CE1 4.03Å; L335-Y339 HydrophobicContact CG-CD1 4.07Å; L335-Y339 HydrophobicContact CG-CE1 3.6Å; L335-Y339 VanDerWaalsContact O-CD1 3.26Å; L335-Y339 WeakPolarHBondContact O-CD1 3.36Å; L335-Y339 PolarHBondContact O-N 3.07Å; L335-L356 HydrophobicContact CB-CD1 3.91Å; L335-L356 HydrophobicContact CD2-CD1 3.9Å; L335-L356 HydrophobicContact CG-CD1 3.78Å; L335-M359 HydrophobicContact CD2-CB 4.01Å; L335-M359 HydrophobicContact CD2-CG 3.87Å; L335-Q360 HydrophobicContact CB-CG 4.22Å; L335-Q360 HydrophobicContact CD2-CG 3.79Å; L335-L363 HydrophobicContact CD1-CD1 4.27Å; L335-L363 HydrophobicContact CD2-CD1 3.83Å
336G96.7Very high95.9Very high21 Ų2163.5 Ų63.522%0.21631%0.309CS..Hα-helixtrans-63.8-33.4176.100000113.3S334 Y339 K340S334-G336 PolarHBondContact O-N 2.8Å; S334-G336 VanDerWaalsContact O-N 3.1Å; G336-Y339 PolarHBondContact O-N 3.4Å; G336-K340 WeakPolarHBondContact O-CG 3.25Å; G336-K340 PolarHBondContact O-N 3.07Å
337D96.7Very high95.8Very high96 Ų9666.6 Ų66.651%0.51332%0.319SS..Hα-helixtrans-76.6-33.2175.6-63.5-38.8000111.4S334 L335 Y339 K340 R341S334-D337 PolarHBondContact O-N 3.5Å; L335-D337 VanDerWaalsContact C-N 3.3Å; L335-D337 PolarHBondContact O-N 3.11Å; D337-Y339 VanDerWaalsContact C-N 3.31Å; D337-K340 PolarHBondContact O-N 3.42Å; D337-R341 WeakPolarHBondContact O-CB 3.42Å; D337-R341 PolarHBondContact O-N 3.39Å
338I96.3Very high95.7Very high1 Ų165.6 Ų65.61%0.00532%0.316CS..Hα-helixtrans-61-43.6171-60.5175.8000109.8L314 L331 S334 L335 R341 I342L314-I338 HydrophobicContact CD2-CD1 3.76Å; L331-I338 HydrophobicContact CD2-CD1 4Å; S334-I338 PolarHBondContact O-N 3.07Å; L335-I338 HydrophobicContact CD1-CB 4.45Å; L335-I338 HydrophobicContact CD1-CD1 4.32Å; L335-I338 WeakPolarHBondContact O-CB 3.49Å; L335-I338 PolarHBondContact O-N 2.82Å; I338-R341 WeakPolarHBondContact O-CB 3.14Å; I338-R341 PolarHBondContact O-N 3.39Å; I338-I342 HydrophobicContact CG2-CD1 3.78Å; I338-I342 HydrophobicContact CG2-CG1 4.4Å; I338-I342 WeakPolarHBondContact O-CG1 3.25Å; I338-I342 PolarHBondContact O-N 2.51Å
339Y97.3Very high95.5Very high21 Ų2167.7 Ų67.78%0.08233%0.334CS..Hα-helixtrans-59.7-51.1176.7-78.521.5000111.4I310 L335 G336 D337 R341 I342 E343 F353 P354 L356 M359I310-Y339 HydrophobicContact CD1-CD1 4.17Å; I310-Y339 HydrophobicContact CD1-CE1 3.44Å; I310-Y339 VanDerWaalsContact CD1-CE1 3.44Å; I310-Y339 HydrophobicContact CG1-CD1 4.16Å; I310-Y339 HydrophobicContact CG1-CE1 3.75Å; I310-Y339 HydrophobicContact CG2-CE1 4.19Å; L335-Y339 HydrophobicContact CD1-CD1 4.17Å; L335-Y339 HydrophobicContact CD1-CE1 3.73Å; L335-Y339 HydrophobicContact CD2-CE1 4.03Å; L335-Y339 HydrophobicContact CG-CD1 4.07Å; L335-Y339 HydrophobicContact CG-CE1 3.6Å; L335-Y339 VanDerWaalsContact O-CD1 3.26Å; L335-Y339 WeakPolarHBondContact O-CD1 3.36Å; L335-Y339 PolarHBondContact O-N 3.07Å; G336-Y339 PolarHBondContact O-N 3.4Å; D337-Y339 VanDerWaalsContact C-N 3.31Å; Y339-R341 PolarHBondContact O-N 3Å; Y339-I342 PolarHBondContact O-N 3.01Å; Y339-I342 VanDerWaalsContact O-N 3.16Å; Y339-E343 WeakPolarHBondContact O-CB 3.44Å; Y339-E343 PolarHBondContact O-N 3.4Å; Y339-F353 HydrophobicContact CD1-CD1 4.03Å; Y339-F353 HydrophobicContact CD1-CE1 4.27Å; Y339-F353 HydrophobicContact CD2-CB 3.96Å; Y339-F353 AromaticContact CD2-CD1 3.49Å; Y339-F353 HydrophobicContact CD2-CD1 3.49Å; Y339-F353 VanDerWaalsContact CD2-CD1 3.49Å; Y339-F353 HydrophobicContact CD2-CE1 4.32Å; Y339-F353 AromaticContact CD2-CG 4Å; Y339-F353 HydrophobicContact CD2-CG 4Å; Y339-F353 HydrophobicContact CE1-CD1 4.42Å; Y339-F353 HydrophobicContact CE2-CB 4.02Å; Y339-F353 AromaticContact CE2-CD1 3.93Å; Y339-F353 HydrophobicContact CE2-CD1 3.93Å; Y339-F353 HydrophobicContact CE2-CG 4.41Å; Y339-F353 AromaticContact CG-CD1 3.56Å; Y339-F353 HydrophobicContact CG-CD1 3.56Å; Y339-F353 AromaticContact CG-CE1 3.93Å; Y339-F353 HydrophobicContact CG-CE1 3.93Å; Y339-F353 HydrophobicContact CG-CG 4.43Å; Y339-P354 WeakPolarHBondContact CE2-O 3.3Å; Y339-L356 HydrophobicContact CD2-CD1 4.12Å; Y339-L356 HydrophobicContact CE2-CB 4.43Å; Y339-L356 HydrophobicContact CE2-CD1 3.92Å; Y339-L356 HydrophobicContact CG-CD1 4.5Å; Y339-M359 WeakPolarHBondContact OH-CB 3.3Å; Y339-M359 WeakPolarHBondContact OH-CG 3.5Å
340K96.4Very high95.1Very high108 Ų10865.5 Ų65.547%0.4733%0.333SS..Hα-helixtrans-59.6-28.5177.8-71.8175-176.4169.60113.6G336 D337 R344G336-K340 WeakPolarHBondContact O-CG 3.25Å; G336-K340 PolarHBondContact O-N 3.07Å; D337-K340 PolarHBondContact O-N 3.42Å; K340-R344 WeakPolarHBondContact O-CG 3.35Å; K340-R344 PolarHBondContact O-N 2.79Å; K340-R344 PolarHBondContact O-NE 3.21Å
341R96.7Very high94.5Very high98 Ų9863.8 Ų63.837%0.3734%0.343SS..Hα-helixtrans-74.1-50.5175.9-165.8-170.6-48.5156.58110.5E317 D337 I338 Y339 E343 R344 E345E317-R341 IonicContact OE1-CZ 3.99Å; E317-R341 IonicContact OE1-NH1 3.34Å; E317-R341 PolarHBondContact OE1-NH1 3.18Å; E317-R341 IonicContact OE1-NH2 3.01Å; D337-R341 WeakPolarHBondContact O-CB 3.42Å; D337-R341 PolarHBondContact O-N 3.39Å; I338-R341 WeakPolarHBondContact O-CB 3.14Å; I338-R341 PolarHBondContact O-N 3.39Å; Y339-R341 PolarHBondContact O-N 3Å; R341-E343 VanDerWaalsContact C-N 3.28Å; R341-E343 PolarHBondContact O-N 3.39Å; R341-R344 PolarHBondContact O-N 2.86Å; R341-E345 WeakPolarHBondContact CD-OE1 3.35Å; R341-E345 HydrophobicContact CG-CG 4.37Å; R341-E345 VanDerWaalsContact CG-OE1 3.29Å; R341-E345 WeakPolarHBondContact CG-OE1 3.44Å; R341-E345 WeakPolarHBondContact O-CB 3.43Å; R341-E345 WeakPolarHBondContact O-CG 3.43Å; R341-E345 PolarHBondContact O-N 3.3Å
342I96.4Very high94.2Very high0 Ų066.1 Ų66.10%036%0.355CS..Hα-helixtrans-58.4-42.5176.5-67.4169.5000110.6Y309 I310 I338 Y339 R344 E345 H346 I348 F353Y309-I342 HydrophobicContact CD2-CG2 4.38Å; Y309-I342 HydrophobicContact CG-CG2 4.34Å; I310-I342 HydrophobicContact CB-CD1 4.38Å; I310-I342 HydrophobicContact CG1-CD1 3.81Å; I338-I342 HydrophobicContact CG2-CD1 3.78Å; I338-I342 HydrophobicContact CG2-CG1 4.4Å; I338-I342 WeakPolarHBondContact O-CG1 3.25Å; I338-I342 PolarHBondContact O-N 2.51Å; Y339-I342 PolarHBondContact O-N 3.01Å; Y339-I342 VanDerWaalsContact O-N 3.16Å; I342-R344 VanDerWaalsContact C-N 3.35Å; I342-R344 PolarHBondContact O-N 3.39Å; I342-E345 PolarHBondContact O-N 2.85Å; I342-H346 WeakPolarHBondContact O-CB 3.47Å; I342-H346 PolarHBondContact O-N 3.13Å; I342-I348 HydrophobicContact CG2-CD1 4.19Å; I342-F353 HydrophobicContact CB-CE1 4.14Å; I342-F353 HydrophobicContact CB-CZ 4.1Å; I342-F353 HydrophobicContact CG2-CE1 3.95Å; I342-F353 HydrophobicContact CG2-CZ 3.8Å
343E95.5Very high94Very high66 Ų6667.1 Ų67.131%0.30836%0.36SS..Hα-helixtrans-53.2-50.3176.3-172.2-165.8160.700111.4Y339 R341 Q347 I348 P350 F353Y339-E343 WeakPolarHBondContact O-CB 3.44Å; Y339-E343 PolarHBondContact O-N 3.4Å; R341-E343 VanDerWaalsContact C-N 3.28Å; R341-E343 PolarHBondContact O-N 3.39Å; E343-Q347 WeakPolarHBondContact O-CA 3.47Å; E343-Q347 PolarHBondContact O-N 2.84Å; E343-I348 VanDerWaalsContact CG-O 3.25Å; E343-I348 WeakPolarHBondContact CG-O 3.4Å; E343-I348 PolarHBondContact O-N 3.38Å; E343-I348 VanDerWaalsContact O-N 3.15Å; E343-P350 WeakPolarHBondContact OE1-CG 3.49Å; E343-F353 HydrophobicContact CB-CE2 4.06Å; E343-F353 HydrophobicContact CB-CZ 4.06Å; E343-F353 HydrophobicContact CG-CE2 4.36Å
344R95.6Very high93.8Very high189 Ų18964.1 Ų64.171%0.71333%0.334SS*.Hα-helixtrans-72.3-44.2-179.8-74.7-177.5-105.9176.9-10113.2K340 R341 I342 H346K340-R344 WeakPolarHBondContact O-CG 3.35Å; K340-R344 PolarHBondContact O-N 2.79Å; K340-R344 PolarHBondContact O-NE 3.21Å; R341-R344 PolarHBondContact O-N 2.86Å; I342-R344 VanDerWaalsContact C-N 3.35Å; I342-R344 PolarHBondContact O-N 3.39Å; R344-H346 VanDerWaalsContact C-N 3.35Å
345E94.9Very high93.5Very high123 Ų12366.6 Ų66.658%0.57534%0.344SS*.Hα-helixtrans-66.8-36.9-176.6-74.6178.4-176.100112.1R341 I342R341-E345 WeakPolarHBondContact CD-OE1 3.35Å; R341-E345 HydrophobicContact CG-CG 4.37Å; R341-E345 VanDerWaalsContact CG-OE1 3.29Å; R341-E345 WeakPolarHBondContact CG-OE1 3.44Å; R341-E345 WeakPolarHBondContact O-CB 3.43Å; R341-E345 WeakPolarHBondContact O-CG 3.43Å; R341-E345 PolarHBondContact O-N 3.3Å; I342-E345 PolarHBondContact O-N 2.85Å
346H92.9Very high93.2Very high70 Ų7069.7 Ų69.732%0.32436%0.361SS..Hα-helixtrans-110.42-174.7-62.5-72.1000114.2Y309 I342 R344 I348Y309-H346 AromaticContact CD1-CD2 3.97Å; Y309-H346 AromaticContact CD1-CE1 3.75Å; Y309-H346 AromaticContact CD1-NE2 3.54Å; Y309-H346 AromaticContact CE1-CE1 3.37Å; Y309-H346 WeakPolarHBondContact CE1-CE1 3.41Å; Y309-H346 AromaticContact CE1-ND1 3.65Å; Y309-H346 AromaticContact CE1-NE2 3.67Å; Y309-H346 HydrophobicContact CE2-CB 4.29Å; Y309-H346 AromaticContact CZ-CE1 3.84Å; Y309-H346 AromaticContact CZ-CG 3.93Å; Y309-H346 AromaticContact CZ-ND1 3.61Å; I342-H346 WeakPolarHBondContact O-CB 3.47Å; I342-H346 PolarHBondContact O-N 3.13Å; R344-H346 VanDerWaalsContact C-N 3.35Å; H346-I348 HydrophobicContact CB-CD1 3.69Å; H346-I348 HydrophobicContact CB-CG1 3.76Å; H346-I348 PolarHBondContact O-N 3.24Å
347Q92.4Very high93Very high185 Ų18574.2 Ų74.286%0.86437%0.374SS*.THydrogen-bonded Turntrans54.148.7-179.9-57.2177.222.100112.8E343E343-Q347 WeakPolarHBondContact O-CA 3.47Å; E343-Q347 PolarHBondContact O-N 2.84Å
348I92.6Very high92.7Very high25 Ų2573.7 Ų73.713%0.12837%0.367CS..  trans-97.7141.4-176.8-60.3179.5000109.4V306 Y309 I342 E343 H346 D352 F353V306-I348 HydrophobicContact CG2-CD1 3.96Å; V306-I348 HydrophobicContact CG2-CG2 3.66Å; Y309-I348 HydrophobicContact CD2-CD1 3.69Å; Y309-I348 HydrophobicContact CE2-CD1 3.77Å; I342-I348 HydrophobicContact CG2-CD1 4.19Å; E343-I348 VanDerWaalsContact CG-O 3.25Å; E343-I348 WeakPolarHBondContact CG-O 3.4Å; E343-I348 PolarHBondContact O-N 3.38Å; E343-I348 VanDerWaalsContact O-N 3.15Å; H346-I348 HydrophobicContact CB-CD1 3.69Å; H346-I348 HydrophobicContact CB-CG1 3.76Å; H346-I348 PolarHBondContact O-N 3.24Å; I348-D352 HydrophobicContact CG2-CB 3.88Å; I348-F353 HydrophobicContact CB-CE2 4.03Å; I348-F353 HydrophobicContact CB-CZ 4.43Å; I348-F353 HydrophobicContact CG2-CD2 4.28Å; I348-F353 HydrophobicContact CG2-CE2 3.69Å; I348-F353 HydrophobicContact CG2-CZ 4.33Å
349S90.4Very high92.6Very high67 Ų6773.7 Ų73.747%0.46937%0.367SS..  trans-66.2138.5175-179.60000111.2G351 D352 F353S349-G351 PolarHBondContact O-N 3.1Å; S349-G351 VanDerWaalsContact O-N 3.07Å; S349-G351 PolarHBondContact OG-N 3.35Å; S349-D352 PolarHBondContact O-N 2.91Å; S349-F353 WeakPolarHBondContact O-CD2 3.43Å
350P87.5Confident92.5Very high84 Ų8474.4 Ų74.455%0.54537%0.371SS..G310 helixtrans-52.7-30.4172.4-26.934000113.8E343 D352 F353E343-P350 WeakPolarHBondContact OE1-CG 3.49Å; P350-D352 VanDerWaalsContact C-N 3.28Å; P350-D352 PolarHBondContact O-N 3.07Å; P350-F353 PolarHBondContact O-N 3.19Å
351G85.1Confident92.4Very high69 Ų6973.1 Ų73.171%0.71137%0.37SS*.G310 helixtrans-70.2-18.7179.200000114.7S349 F353S349-G351 PolarHBondContact O-N 3.1Å; S349-G351 VanDerWaalsContact O-N 3.07Å; S349-G351 PolarHBondContact OG-N 3.35Å; G351-F353 VanDerWaalsContact C-N 3.29Å
352D88.3Confident92.2Very high48 Ų4871 Ų7126%0.25736%0.364SS..G310 helixtrans-82.9-9.1177.3-65.3-35.4000112.2V306 I348 S349 P350V306-D352 HydrophobicContact CG2-CB 4Å; I348-D352 HydrophobicContact CG2-CB 3.88Å; S349-D352 PolarHBondContact O-N 2.91Å; P350-D352 VanDerWaalsContact C-N 3.28Å; P350-D352 PolarHBondContact O-N 3.07Å
353F92.7Very high92.2Very high26 Ų2671 Ų7111%0.11436%0.364CS..SBendtrans-80.7138.6179.5-75-97.6000112V306 I310 Y339 I342 E343 I348 S349 P350 G351V306-F353 HydrophobicContact CG1-CD1 3.55Å; V306-F353 HydrophobicContact CG1-CD2 4.45Å; V306-F353 HydrophobicContact CG1-CE1 3.75Å; V306-F353 HydrophobicContact CG1-CG 3.95Å; V306-F353 HydrophobicContact CG1-CZ 4.29Å; I310-F353 HydrophobicContact CD1-CD1 4.28Å; Y339-F353 HydrophobicContact CD1-CD1 4.03Å; Y339-F353 HydrophobicContact CD1-CE1 4.27Å; Y339-F353 HydrophobicContact CD2-CB 3.96Å; Y339-F353 AromaticContact CD2-CD1 3.49Å; Y339-F353 HydrophobicContact CD2-CD1 3.49Å; Y339-F353 VanDerWaalsContact CD2-CD1 3.49Å; Y339-F353 HydrophobicContact CD2-CE1 4.32Å; Y339-F353 AromaticContact CD2-CG 4Å; Y339-F353 HydrophobicContact CD2-CG 4Å; Y339-F353 HydrophobicContact CE1-CD1 4.42Å; Y339-F353 HydrophobicContact CE2-CB 4.02Å; Y339-F353 AromaticContact CE2-CD1 3.93Å; Y339-F353 HydrophobicContact CE2-CD1 3.93Å; Y339-F353 HydrophobicContact CE2-CG 4.41Å; Y339-F353 AromaticContact CG-CD1 3.56Å; Y339-F353 HydrophobicContact CG-CD1 3.56Å; Y339-F353 AromaticContact CG-CE1 3.93Å; Y339-F353 HydrophobicContact CG-CE1 3.93Å; Y339-F353 HydrophobicContact CG-CG 4.43Å; I342-F353 HydrophobicContact CB-CE1 4.14Å; I342-F353 HydrophobicContact CB-CZ 4.1Å; I342-F353 HydrophobicContact CG2-CE1 3.95Å; I342-F353 HydrophobicContact CG2-CZ 3.8Å; E343-F353 HydrophobicContact CB-CE2 4.06Å; E343-F353 HydrophobicContact CB-CZ 4.06Å; E343-F353 HydrophobicContact CG-CE2 4.36Å; I348-F353 HydrophobicContact CB-CE2 4.03Å; I348-F353 HydrophobicContact CB-CZ 4.43Å; I348-F353 HydrophobicContact CG2-CD2 4.28Å; I348-F353 HydrophobicContact CG2-CE2 3.69Å; I348-F353 HydrophobicContact CG2-CZ 4.33Å; S349-F353 WeakPolarHBondContact O-CD2 3.43Å; P350-F353 PolarHBondContact O-N 3.19Å; G351-F353 VanDerWaalsContact C-N 3.29Å
354P91.9Very high92.1Very high17 Ų1772.6 Ų72.611%0.1137%0.372CS..PPolyproline II helixtrans-66.4158.9174.726.3-30.6000111L303 I310 Y339 L356L303-P354 HydrophobicContact CD1-CB 4.15Å; L303-P354 HydrophobicContact CD1-CG 4.39Å; I310-P354 HydrophobicContact CD1-CG 3.99Å; Y339-P354 WeakPolarHBondContact CE2-O 3.3Å; P354-L356 PolarHBondContact O-N 3.36Å; P354-L356 VanDerWaalsContact O-N 3.1Å
355N89.7Confident92Very high85 Ų8568 Ų6846%0.45537%0.373SS..PPolyproline II helixtrans-55.4121.8178.3179.6-87.3000111K357 K358 M359N355-K357 VanDerWaalsContact C-N 3.31Å; N355-K357 PolarHBondContact O-N 3.28Å; N355-K357 PolarHBondContact OD1-N 3.27Å; N355-K357 VanDerWaalsContact OD1-N 3.1Å; N355-K358 HydrophobicContact CB-CB 4.04Å; N355-K358 PolarHBondContact O-N 2.77Å; N355-K358 PolarHBondContact OD1-N 3.48Å; N355-M359 WeakPolarHBondContact O-CB 3.36Å; N355-M359 PolarHBondContact O-N 2.97Å
356L92.2Very high91.9Very high65 Ų6563.6 Ų63.634%0.3435%0.353SS..Hα-helixtrans-55.4-46.6-174.6-178.368.6000112L335 Y339 P354 M359 Q360L335-L356 HydrophobicContact CB-CD1 3.91Å; L335-L356 HydrophobicContact CD2-CD1 3.9Å; L335-L356 HydrophobicContact CG-CD1 3.78Å; Y339-L356 HydrophobicContact CD2-CD1 4.12Å; Y339-L356 HydrophobicContact CE2-CB 4.43Å; Y339-L356 HydrophobicContact CE2-CD1 3.92Å; Y339-L356 HydrophobicContact CG-CD1 4.5Å; P354-L356 PolarHBondContact O-N 3.36Å; P354-L356 VanDerWaalsContact O-N 3.1Å; L356-M359 PolarHBondContact O-N 3.22Å; L356-Q360 VanDerWaalsContact O-CG 3.29Å; L356-Q360 WeakPolarHBondContact O-CG 3.43Å; L356-Q360 PolarHBondContact O-N 2.93Å
357K91.7Very high91.9Very high116 Ų11663.3 Ų63.350%0.50435%0.354SS..Hα-helixtrans-68.3-46.6-175.5-174.854.4177.7146.60111.7N355 M359 Q360 D361N355-K357 VanDerWaalsContact C-N 3.31Å; N355-K357 PolarHBondContact O-N 3.28Å; N355-K357 PolarHBondContact OD1-N 3.27Å; N355-K357 VanDerWaalsContact OD1-N 3.1Å; K357-M359 VanDerWaalsContact C-N 3.29Å; K357-M359 PolarHBondContact O-N 3.12Å; K357-Q360 WeakPolarHBondContact O-CB 3.4Å; K357-Q360 PolarHBondContact O-N 3.36Å; K357-D361 IonicContact NZ-OD1 2.7Å; K357-D361 PolarHBondContact NZ-OD1 2.71Å; K357-D361 IonicContact NZ-OD2 3.97Å; K357-D361 VanDerWaalsContact O-CG 3.27Å; K357-D361 PolarHBondContact O-N 3.09Å
358K89.8Confident91.9Very high84 Ų8454.6 Ų54.637%0.36531%0.313SS..Hα-helixtrans-55.8-45.2174.1-170.9171.6177.91730110.7E176 N355 D361 Q362E176-K358 IonicContact OE1-NZ 3.6Å; E176-K358 PolarHBondContact OE1-NZ 3.23Å; E176-K358 IonicContact OE2-NZ 2.85Å; E176-K358 PolarHBondContact OE2-NZ 3.36Å; N355-K358 HydrophobicContact CB-CB 4.04Å; N355-K358 PolarHBondContact O-N 2.77Å; N355-K358 PolarHBondContact OD1-N 3.48Å; K358-D361 PolarHBondContact O-N 2.91Å; K358-Q362 VanDerWaalsContact O-CG 3.31Å; K358-Q362 WeakPolarHBondContact O-CG 3.41Å; K358-Q362 PolarHBondContact O-N 3.34Å
359M94.5Very high91.8Very high2 Ų255.3 Ų55.31%0.0132%0.319CS..Hα-helixtrans-65.4-43178.3-165.769.9-16500112.5F45 I310 I311 L335 Y339 N355 L356 K357 D361 Q362 L363F45-M359 HydrophobicContact CB-SD 4.47Å; F45-M359 HydrophobicContact CD1-CE 3.3Å; F45-M359 HydrophobicContact CD1-SD 3.62Å; F45-M359 HydrophobicContact CE1-CE 3.38Å; F45-M359 HydrophobicContact CE1-SD 4.2Å; F45-M359 HydrophobicContact CG-CE 3.97Å; F45-M359 HydrophobicContact CG-SD 4.31Å; F45-M359 HydrophobicContact CZ-CE 4.09Å; I310-M359 HydrophobicContact CG2-CE 4.37Å; I311-M359 HydrophobicContact CD1-CE 4.13Å; L335-M359 HydrophobicContact CD2-CB 4.01Å; L335-M359 HydrophobicContact CD2-CG 3.87Å; Y339-M359 WeakPolarHBondContact OH-CB 3.3Å; Y339-M359 WeakPolarHBondContact OH-CG 3.5Å; N355-M359 WeakPolarHBondContact O-CB 3.36Å; N355-M359 PolarHBondContact O-N 2.97Å; L356-M359 PolarHBondContact O-N 3.22Å; K357-M359 VanDerWaalsContact C-N 3.29Å; K357-M359 PolarHBondContact O-N 3.12Å; M359-D361 VanDerWaalsContact C-N 3.32Å; M359-D361 PolarHBondContact O-N 3.31Å; M359-Q362 PolarHBondContact O-N 3.29Å; M359-L363 HydrophobicContact CE-CD1 4.16Å; M359-L363 HydrophobicContact CE-CD2 4.05Å; M359-L363 HydrophobicContact CE-CG 4Å; M359-L363 HydrophobicContact CG-CD1 4.01Å; M359-L363 HydrophobicContact CG-CG 4.43Å; M359-L363 WeakPolarHBondContact O-CB 3.29Å; M359-L363 WeakPolarHBondContact O-CD1 3.38Å; M359-L363 WeakPolarHBondContact O-CG 3.33Å; M359-L363 PolarHBondContact O-N 3.45Å
360Q95.8Very high92Very high35 Ų3558.8 Ų58.816%0.16433%0.326CS..Hα-helixtrans-58.5-45.2175.8-75.6178.2-35.200111.8I332 L335 L356 K357 L363 Q364I332-Q360 HydrophobicContact CG2-CB 3.75Å; I332-Q360 HydrophobicContact CG2-CG 3.87Å; I332-Q360 WeakPolarHBondContact O-CG 3.48Å; I332-Q360 PolarHBondContact O-NE2 3.43Å; L335-Q360 HydrophobicContact CB-CG 4.22Å; L335-Q360 HydrophobicContact CD2-CG 3.79Å; L356-Q360 VanDerWaalsContact O-CG 3.29Å; L356-Q360 WeakPolarHBondContact O-CG 3.43Å; L356-Q360 PolarHBondContact O-N 2.93Å; K357-Q360 WeakPolarHBondContact O-CB 3.4Å; K357-Q360 PolarHBondContact O-N 3.36Å; Q360-L363 PolarHBondContact O-N 3.38Å; Q360-Q364 WeakPolarHBondContact O-CG 3.45Å; Q360-Q364 PolarHBondContact O-N 3.26Å
361D93.6Very high92.4Very high82 Ų8255 Ų5544%0.43930%0.301SS..Hα-helixtrans-67.5-42.2-178.3-64.3-22.5000110.9K357 K358 M359 L363 Q364K357-D361 IonicContact NZ-OD1 2.7Å; K357-D361 PolarHBondContact NZ-OD1 2.71Å; K357-D361 IonicContact NZ-OD2 3.97Å; K357-D361 VanDerWaalsContact O-CG 3.27Å; K357-D361 PolarHBondContact O-N 3.09Å; K358-D361 PolarHBondContact O-N 2.91Å; M359-D361 VanDerWaalsContact C-N 3.32Å; M359-D361 PolarHBondContact O-N 3.31Å; D361-L363 PolarHBondContact O-N 3.37Å; D361-Q364 WeakPolarHBondContact O-CB 3.34Å; D361-Q364 PolarHBondContact O-N 3.06Å
362Q93.4Very high92.8Very high54 Ų5455.7 Ų55.725%0.25229%0.285SS..Hα-helixtrans-64.6-38.8175.4-72.4174.9-26.500113.1F45 K358 M359 Q364 A365 Q366F45-Q362 HydrophobicContact CD1-CB 3.74Å; F45-Q362 HydrophobicContact CE1-CB 4.02Å; F45-Q362 PolarHBondContact O-NE2 2.91Å; F45-Q362 PolarHBondContact O-OE1 3.16Å; K358-Q362 VanDerWaalsContact O-CG 3.31Å; K358-Q362 WeakPolarHBondContact O-CG 3.41Å; K358-Q362 PolarHBondContact O-N 3.34Å; M359-Q362 PolarHBondContact O-N 3.29Å; Q362-Q364 PolarHBondContact O-N 3.46Å; Q362-A365 PolarHBondContact O-N 2.73Å; Q362-Q366 WeakPolarHBondContact O-CG 3.49Å
363L95.6Very high93.2Very high0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-65.1-22.4178.1-75.9167.8000113.3F45 L314 K328 I332 L335 M359 Q360 D361 A365 Q366 F371F45-L363 HydrophobicContact CE1-CD2 3.7Å; F45-L363 HydrophobicContact CE1-CG 3.97Å; F45-L363 HydrophobicContact CZ-CD2 3.87Å; L314-L363 HydrophobicContact CD1-CD1 3.8Å; L314-L363 HydrophobicContact CD1-CD2 3.75Å; L314-L363 HydrophobicContact CD1-CG 4.47Å; K328-L363 WeakPolarHBondContact CE-O 3.3Å; I332-L363 HydrophobicContact CD1-CB 3.92Å; I332-L363 HydrophobicContact CG1-CB 3.93Å; I332-L363 HydrophobicContact CG1-CD1 4.49Å; L335-L363 HydrophobicContact CD1-CD1 4.27Å; L335-L363 HydrophobicContact CD2-CD1 3.83Å; M359-L363 HydrophobicContact CE-CD1 4.16Å; M359-L363 HydrophobicContact CE-CD2 4.05Å; M359-L363 HydrophobicContact CE-CG 4Å; M359-L363 HydrophobicContact CG-CD1 4.01Å; M359-L363 HydrophobicContact CG-CG 4.43Å; M359-L363 WeakPolarHBondContact O-CB 3.29Å; M359-L363 WeakPolarHBondContact O-CD1 3.38Å; M359-L363 WeakPolarHBondContact O-CG 3.33Å; M359-L363 PolarHBondContact O-N 3.45Å; Q360-L363 PolarHBondContact O-N 3.38Å; D361-L363 PolarHBondContact O-N 3.37Å; L363-A365 VanDerWaalsContact C-N 3.27Å; L363-A365 PolarHBondContact O-N 3.44Å; L363-Q366 PolarHBondContact O-N 3.1Å; L363-Q366 VanDerWaalsContact O-N 3.16Å; L363-F371 HydrophobicContact CD2-CE2 3.96Å; L363-F371 HydrophobicContact CD2-CZ 3.94Å
364Q94Very high93.4Very high99 Ų9959.1 Ų59.146%0.46331%0.309SS..Hα-helixtrans-60-38.5176.4-65.5-63.7-2200111.9K328 Q360 D361 Q362 Q366K328-Q364 WeakPolarHBondContact CE-O 3.47Å; K328-Q364 PolarHBondContact NZ-O 3.01Å; Q360-Q364 WeakPolarHBondContact O-CG 3.45Å; Q360-Q364 PolarHBondContact O-N 3.26Å; D361-Q364 WeakPolarHBondContact O-CB 3.34Å; D361-Q364 PolarHBondContact O-N 3.06Å; Q362-Q364 PolarHBondContact O-N 3.46Å; Q364-Q366 VanDerWaalsContact C-N 3.26Å; Q364-Q366 PolarHBondContact O-N 2.86Å
365A92.8Very high93.6Very high91 Ų9162 Ų6275%0.75232%0.319SS*.THydrogen-bonded Turntrans-79.6-6.1-179.200000113.7Q362 L363Q362-A365 PolarHBondContact O-N 2.73Å; L363-A365 VanDerWaalsContact C-N 3.27Å; L363-A365 PolarHBondContact O-N 3.44Å
366Q93.9Very high93.9Very high32 Ų3261.5 Ų61.515%0.1532%0.321CS..SBendtrans-102.2147.8-168.1-67.7-72.4-12.800112.7E44 F45 K328 Q362 L363 Q364 F371E44-Q366 PolarHBondContact OE2-NE2 2.68Å; E44-Q366 PolarHBondContact OE2-OE1 2.83Å; F45-Q366 HydrophobicContact CE1-CG 4.12Å; F45-Q366 HydrophobicContact CE2-CG 4.42Å; F45-Q366 HydrophobicContact CZ-CB 4.39Å; F45-Q366 HydrophobicContact CZ-CG 3.65Å; K328-Q366 VanDerWaalsContact CE-O 3.32Å; K328-Q366 WeakPolarHBondContact CE-O 3.4Å; K328-Q366 PolarHBondContact NZ-O 3.45Å; Q362-Q366 WeakPolarHBondContact O-CG 3.49Å; L363-Q366 PolarHBondContact O-N 3.1Å; L363-Q366 VanDerWaalsContact O-N 3.16Å; Q364-Q366 VanDerWaalsContact C-N 3.26Å; Q364-Q366 PolarHBondContact O-N 2.86Å; Q366-F371 HydrophobicContact CB-CE1 4.35Å; Q366-F371 HydrophobicContact CB-CZ 4.04Å
367D91.9Very high94.2Very high64 Ų6466.8 Ų66.834%0.34234%0.341SS..  trans-93.998171.9-179.6-2.5000109.8T369 K370D367-T369 VanDerWaalsContact CG-OG1 3.32Å; D367-T369 PolarHBondContact O-N 3.2Å; D367-T369 VanDerWaalsContact O-N 3.08Å; D367-T369 WeakPolarHBondContact OD1-CB 3.46Å; D367-T369 PolarHBondContact OD1-N 3.49Å; D367-T369 PolarHBondContact OD1-OG1 3.29Å; D367-T369 PolarHBondContact OD2-OG1 2.87Å; D367-K370 HydrophobicContact CB-CD 4.1Å; D367-K370 HydrophobicContact CB-CG 4.25Å; D367-K370 WeakPolarHBondContact O-CB 3.25Å; D367-K370 PolarHBondContact O-N 3.11Å; D367-K370 WeakPolarHBondContact OD2-CE 3.24Å; D367-K370 WeakPolarHBondContact OD2-CG 3.4Å; D367-K370 IonicContact OD2-NZ 3.97Å
368L93.4Very high94.4Very high1 Ų163 Ų631%0.00533%0.326CS..G310 helixtrans-61.2-19.3-178.6-77.760.5000112.4L314 M318 K328 L331 K370 F371L314-L368 HydrophobicContact CB-CD2 4.34Å; L314-L368 HydrophobicContact CD2-CD2 4.37Å; M318-L368 HydrophobicContact CE-CB 3.99Å; M318-L368 HydrophobicContact CG-CB 3.76Å; M318-L368 HydrophobicContact CG-CD2 4.27Å; M318-L368 HydrophobicContact SD-CB 3.91Å; M318-L368 HydrophobicContact SD-CD2 3.96Å; K328-L368 HydrophobicContact CB-CD2 4.31Å; K328-L368 HydrophobicContact CD-CD1 3.95Å; K328-L368 HydrophobicContact CG-CD1 3.94Å; K328-L368 HydrophobicContact CG-CD2 4.06Å; L331-L368 HydrophobicContact CD1-CD2 4.18Å; L368-K370 VanDerWaalsContact C-N 3.28Å; L368-K370 PolarHBondContact O-N 2.99Å; L368-F371 HydrophobicContact CB-CD2 4.13Å; L368-F371 HydrophobicContact CB-CE2 4.13Å; L368-F371 HydrophobicContact CD1-CE2 4.12Å; L368-F371 HydrophobicContact CD1-CZ 4.31Å; L368-F371 HydrophobicContact CG-CD2 4.09Å; L368-F371 HydrophobicContact CG-CE2 3.64Å; L368-F371 HydrophobicContact CG-CZ 4.29Å; L368-F371 WeakPolarHBondContact O-CB 3.49Å; L368-F371 PolarHBondContact O-N 3.42Å
369T90.5Very high94.7Very high40 Ų4059.3 Ų59.325%0.24531%0.31CS..G310 helixtrans-72.8-24.217771.70000112.7K315 M318 K324 D367 F371K315-T369 PolarHBondContact NZ-O 2.7Å; M318-T369 HydrophobicContact CE-CG2 3.63Å; K324-T369 HydrophobicContact CD-CG2 3.82Å; K324-T369 HydrophobicContact CG-CG2 4.24Å; D367-T369 VanDerWaalsContact CG-OG1 3.32Å; D367-T369 PolarHBondContact O-N 3.2Å; D367-T369 VanDerWaalsContact O-N 3.08Å; D367-T369 WeakPolarHBondContact OD1-CB 3.46Å; D367-T369 PolarHBondContact OD1-N 3.49Å; D367-T369 PolarHBondContact OD1-OG1 3.29Å; D367-T369 PolarHBondContact OD2-OG1 2.87Å; T369-F371 VanDerWaalsContact C-N 3.28Å
370K92.8Very high94.8Very high141 Ų14164.9 Ų64.961%0.61334%0.336SS*.G310 helixtrans-81.8-6.3176.5-66.6179.5-177.21730113.4D367 L368D367-K370 HydrophobicContact CB-CD 4.1Å; D367-K370 HydrophobicContact CB-CG 4.25Å; D367-K370 WeakPolarHBondContact O-CB 3.25Å; D367-K370 PolarHBondContact O-N 3.11Å; D367-K370 WeakPolarHBondContact OD2-CE 3.24Å; D367-K370 WeakPolarHBondContact OD2-CG 3.4Å; D367-K370 IonicContact OD2-NZ 3.97Å; L368-K370 VanDerWaalsContact C-N 3.28Å; L368-K370 PolarHBondContact O-N 2.99Å
371F95.9Very high94.9Very high5 Ų564.4 Ų64.42%0.02234%0.338CS..PPolyproline II helixtrans-65.8150176.3-67.4-10.4000111.6K41 F45 I311 L314 K315 L363 Q366 L368 T369K41-F371 HydrophobicContact CD-CD1 4.21Å; K41-F371 HydrophobicContact CD-CE1 4.21Å; F45-F371 HydrophobicContact CZ-CZ 4.08Å; I311-F371 HydrophobicContact CD1-CD2 4.17Å; I311-F371 HydrophobicContact CD1-CE1 4.37Å; I311-F371 HydrophobicContact CD1-CE2 3.66Å; I311-F371 HydrophobicContact CD1-CZ 3.79Å; I311-F371 HydrophobicContact CG2-CB 3.73Å; I311-F371 HydrophobicContact CG2-CD1 4.11Å; I311-F371 HydrophobicContact CG2-CD2 3.73Å; I311-F371 HydrophobicContact CG2-CE2 4.31Å; I311-F371 HydrophobicContact CG2-CG 3.61Å; L314-F371 HydrophobicContact CB-CD2 4.28Å; L314-F371 HydrophobicContact CB-CE2 4.45Å; L314-F371 HydrophobicContact CD1-CE2 4.17Å; K315-F371 HydrophobicContact CB-CB 3.86Å; K315-F371 HydrophobicContact CD-CB 4.29Å; K315-F371 WeakPolarHBondContact CD-O 3.21Å; K315-F371 WeakPolarHBondContact CE-O 3.32Å; K315-F371 HydrophobicContact CG-CB 4.33Å; K315-F371 WeakPolarHBondContact CG-O 3.28Å; L363-F371 HydrophobicContact CD2-CE2 3.96Å; L363-F371 HydrophobicContact CD2-CZ 3.94Å; Q366-F371 HydrophobicContact CB-CE1 4.35Å; Q366-F371 HydrophobicContact CB-CZ 4.04Å; L368-F371 HydrophobicContact CB-CD2 4.13Å; L368-F371 HydrophobicContact CB-CE2 4.13Å; L368-F371 HydrophobicContact CD1-CE2 4.12Å; L368-F371 HydrophobicContact CD1-CZ 4.31Å; L368-F371 HydrophobicContact CG-CD2 4.09Å; L368-F371 HydrophobicContact CG-CE2 3.64Å; L368-F371 HydrophobicContact CG-CZ 4.29Å; L368-F371 WeakPolarHBondContact O-CB 3.49Å; L368-F371 PolarHBondContact O-N 3.42Å; T369-F371 VanDerWaalsContact C-N 3.28Å
372Q95.1Very high95.1Very high82 Ų8260.5 Ų60.538%0.38332%0.318SS..PPolyproline II helixtrans-88.6145.7-178.7-64.7-65.8-33.900110.3S39 Y40S39-Q372 WeakPolarHBondContact O-CG 3.34Å; Y40-Q372 HydrophobicContact CE1-CB 4.13Å
373P96Very high95.1Very high77 Ų7760.9 Ų60.950%0.532%0.321SS..PPolyproline II helixtrans-65.4165.6167.630.6-34.7000110.7Y40 K375Y40-P373 PolarHBondContact OH-O 3.48Å; P373-K375 PolarHBondContact O-N 2.88Å
374L95.9Very high95.1Very high70 Ų7063 Ų6337%0.36633%0.332SS..PPolyproline II helixtrans-62.6132.3177.5-158.971.3000110.6Y40 Y309 S312 P376 L379Y40-L374 VanDerWaalsContact OH-CA 3.26Å; Y40-L374 WeakPolarHBondContact OH-CA 3.29Å; Y309-L374 HydrophobicContact CD1-CD1 3.8Å; Y309-L374 HydrophobicContact CD1-CD2 4.24Å; Y309-L374 HydrophobicContact CE1-CD1 4.13Å; Y309-L374 HydrophobicContact CE1-CD2 4.11Å; S312-L374 WeakPolarHBondContact OG-CA 3.33Å; S312-L374 WeakPolarHBondContact OG-CD1 3.49Å; S312-L374 PolarHBondContact OG-N 2.92Å; L374-P376 WeakPolarHBondContact O-CD 3.34Å; L374-L379 HydrophobicContact CD1-CD1 3.72Å; L374-L379 HydrophobicContact CD2-CD1 4.04Å; L374-L379 HydrophobicContact CG-CD1 3.87Å
375K97.5Very high95.2Very high77 Ų7758.2 Ų58.234%0.33531%0.31SS..  trans-114.394.2179.4-68.2178.2-176.6175.80108.7S39 Y40 P373 K377 L378S39-K375 PolarHBondContact OG-NZ 2.85Å; Y40-K375 PolarHBondContact OH-N 3.44Å; P373-K375 PolarHBondContact O-N 2.88Å; K375-K377 VanDerWaalsContact C-N 3.28Å; K375-K377 PolarHBondContact O-N 3.01Å; K375-L378 HydrophobicContact CB-CB 4.45Å; K375-L378 HydrophobicContact CB-CD1 4.03Å; K375-L378 HydrophobicContact CB-CG 4.14Å; K375-L378 HydrophobicContact CD-CD1 3.68Å; K375-L378 HydrophobicContact CD-CG 4.44Å; K375-L378 PolarHBondContact O-N 3.46Å
376P96.3Very high95.2Very high75 Ų7555.9 Ų55.949%0.48729%0.285SS..Hα-helixtrans-54.1-41.2-173.8-28.835.8000113.7L374 L378 L379 E380L374-P376 WeakPolarHBondContact O-CD 3.34Å; P376-L378 VanDerWaalsContact C-N 3.25Å; P376-L378 PolarHBondContact O-N 3.01Å; P376-L378 VanDerWaalsContact O-N 3.17Å; P376-L379 WeakPolarHBondContact O-CB 3.45Å; P376-L379 PolarHBondContact O-N 2.81Å; P376-E380 WeakPolarHBondContact O-CG 3.28Å; P376-E380 PolarHBondContact O-N 3.18Å
377K96.8Very high95Very high175 Ų17557.6 Ų57.676%0.76130%0.304SS*.Hα-helixtrans-56.3-34.6179.2-64.6-172.6177.6-174.80114.2K375 A381K375-K377 VanDerWaalsContact C-N 3.28Å; K375-K377 PolarHBondContact O-N 3.01Å; K377-A381 WeakPolarHBondContact O-CB 3.42Å; K377-A381 PolarHBondContact O-N 3.42Å; K377-A381 VanDerWaalsContact O-N 3.15Å
378L97.3Very high95Very high36 Ų3659.1 Ų59.119%0.18831%0.313CS..Hα-helixtrans-74.9-36.3178.4-64.6-178.6000111.3P35 L36 S39 K375 P376 A381 V382P35-L378 HydrophobicContact CB-CD2 4.07Å; L36-L378 HydrophobicContact CD1-CB 3.73Å; S39-L378 VanDerWaalsContact OG-CD1 3.31Å; S39-L378 WeakPolarHBondContact OG-CD1 3.35Å; K375-L378 HydrophobicContact CB-CB 4.45Å; K375-L378 HydrophobicContact CB-CD1 4.03Å; K375-L378 HydrophobicContact CB-CG 4.14Å; K375-L378 HydrophobicContact CD-CD1 3.68Å; K375-L378 HydrophobicContact CD-CG 4.44Å; K375-L378 PolarHBondContact O-N 3.46Å; P376-L378 VanDerWaalsContact C-N 3.25Å; P376-L378 PolarHBondContact O-N 3.01Å; P376-L378 VanDerWaalsContact O-N 3.17Å; L378-A381 PolarHBondContact O-N 3.35Å; L378-V382 PolarHBondContact O-N 2.87Å
379L96.4Very high94.9Very high8 Ų861 Ų614%0.04232%0.323CS..Hα-helixtrans-68.7-46.3175.2-68.9168.1000111.1L36 K305 A308 Y309 L374 P376 A381 V382 D383L36-L379 HydrophobicContact CD1-CD2 4.08Å; L36-L379 HydrophobicContact CD1-CG 4.43Å; L36-L379 HydrophobicContact CD2-CD2 4.37Å; K305-L379 HydrophobicContact CB-CD2 4.36Å; K305-L379 HydrophobicContact CG-CD2 4.1Å; A308-L379 HydrophobicContact CB-CD2 4.33Å; Y309-L379 HydrophobicContact CD1-CD1 4.37Å; Y309-L379 HydrophobicContact CE1-CD1 3.53Å; Y309-L379 HydrophobicContact CE1-CD2 4.41Å; L374-L379 HydrophobicContact CD1-CD1 3.72Å; L374-L379 HydrophobicContact CD2-CD1 4.04Å; L374-L379 HydrophobicContact CG-CD1 3.87Å; P376-L379 WeakPolarHBondContact O-CB 3.45Å; P376-L379 PolarHBondContact O-N 2.81Å; L379-A381 PolarHBondContact O-N 3.5Å; L379-V382 CarbonylContact O-C 3.6Å; L379-V382 PolarHBondContact O-N 2.84Å; L379-D383 PolarHBondContact O-N 3.19Å
380E96.4Very high94.8Very high119 Ų11959.9 Ų59.956%0.55632%0.315SS*.Hα-helixtrans-55.9-38.2175.1-73.1168.4-166.900111.6P376 V382 D383 D384P376-E380 WeakPolarHBondContact O-CG 3.28Å; P376-E380 PolarHBondContact O-N 3.18Å; E380-V382 PolarHBondContact O-N 3.28Å; E380-D383 PolarHBondContact O-N 2.79Å; E380-D384 VanDerWaalsContact O-CB 3.28Å; E380-D384 WeakPolarHBondContact O-CB 3.42Å; E380-D384 PolarHBondContact O-N 3.19Å
381A97.4Very high94.5Very high25 Ų2555.9 Ų55.921%0.20731%0.308CS..Hα-helixtrans-63.8-39.3176.400000112.8K32 K377 L378 L379 M385K32-A381 HydrophobicContact CD-CB 4.06Å; K377-A381 WeakPolarHBondContact O-CB 3.42Å; K377-A381 PolarHBondContact O-N 3.42Å; K377-A381 VanDerWaalsContact O-N 3.15Å; L378-A381 PolarHBondContact O-N 3.35Å; L379-A381 PolarHBondContact O-N 3.5Å; A381-M385 WeakPolarHBondContact O-CB 3.25Å; A381-M385 PolarHBondContact O-N 3.35Å; A381-M385 VanDerWaalsContact O-N 3.13Å
382V96.9Very high94Very high0 Ų057.5 Ų57.50%033%0.326CS..Hα-helixtrans-76.3-34.1175.8179.80000111.4K32 L33 L36 A301 K305 L378 L379 E380 M385 L386K32-V382 VanDerWaalsContact O-CG2 3.32Å; K32-V382 WeakPolarHBondContact O-CG2 3.3Å; L33-V382 HydrophobicContact CD1-CG1 4.41Å; L33-V382 HydrophobicContact CD1-CG2 4.17Å; L36-V382 HydrophobicContact CB-CG2 4.3Å; L36-V382 HydrophobicContact CD2-CG2 3.85Å; A301-V382 HydrophobicContact CB-CG1 4.01Å; K305-V382 HydrophobicContact CD-CB 4.41Å; K305-V382 HydrophobicContact CD-CG1 3.85Å; K305-V382 HydrophobicContact CG-CB 4.37Å; K305-V382 HydrophobicContact CG-CG1 3.87Å; L378-V382 PolarHBondContact O-N 2.87Å; L379-V382 CarbonylContact O-C 3.6Å; L379-V382 PolarHBondContact O-N 2.84Å; E380-V382 PolarHBondContact O-N 3.28Å; V382-M385 HydrophobicContact CG1-CE 4.1Å; V382-M385 WeakPolarHBondContact O-CB 3.45Å; V382-M385 PolarHBondContact O-N 2.96Å; V382-L386 HydrophobicContact CG1-CD1 4.2Å; V382-L386 HydrophobicContact CG1-CG 4.44Å; V382-L386 WeakPolarHBondContact O-CG 3.42Å; V382-L386 PolarHBondContact O-N 2.84Å
383D94.9Very high93.5Very high62 Ų6253.6 Ų53.633%0.33231%0.308SS..Hα-helixtrans-65.4-44.8173.8-79.1-38.9000112.1K305 L379 E380 M385 L386 A387K305-D383 VanDerWaalsContact CE-OD1 3.26Å; K305-D383 WeakPolarHBondContact CE-OD1 3.34Å; K305-D383 IonicContact NZ-OD1 2.77Å; K305-D383 PolarHBondContact NZ-OD1 3.23Å; K305-D383 IonicContact NZ-OD2 2.82Å; L379-D383 PolarHBondContact O-N 3.19Å; E380-D383 PolarHBondContact O-N 2.79Å; D383-M385 VanDerWaalsContact C-N 3.27Å; D383-M385 PolarHBondContact O-N 3.28Å; D383-L386 PolarHBondContact O-N 2.98Å; D383-A387 VanDerWaalsContact O-CB 3.26Å; D383-A387 WeakPolarHBondContact O-CB 3.46Å; D383-A387 PolarHBondContact O-N 3.49Å
384D95.1Very high93Very high43 Ų4352.6 Ų52.623%0.2330%0.297CS..Hα-helixtrans-58.8-41.3171.9-176.251.5000111.1K13 K32 E380 N388 D389K13-D384 IonicContact NZ-OD2 3.07Å; K13-D384 PolarHBondContact NZ-OD2 3.13Å; K32-D384 IonicContact NZ-OD2 3.12Å; K32-D384 PolarHBondContact NZ-OD2 3.46Å; E380-D384 VanDerWaalsContact O-CB 3.28Å; E380-D384 WeakPolarHBondContact O-CB 3.42Å; E380-D384 PolarHBondContact O-N 3.19Å; D384-N388 WeakPolarHBondContact O-CB 3.38Å; D384-N388 PolarHBondContact O-N 3.28Å; D384-N388 PolarHBondContact OD1-ND2 2.99Å; D384-D389 PolarHBondContact O-N 3.44Å
385M95.3Very high92.5Very high0 Ų053.1 Ų53.10%030%0.303CS..Iπ-helixtrans-59.9-51.4175.4-176.1-1707700111.4L28 K32 A301 A381 V382 D383 D389 I390L28-M385 HydrophobicContact CB-CG 4.23Å; L28-M385 HydrophobicContact CB-SD 3.98Å; L28-M385 HydrophobicContact CD1-CG 4.06Å; L28-M385 HydrophobicContact CD2-CG 4.32Å; L28-M385 HydrophobicContact CG-CG 4.44Å; K32-M385 HydrophobicContact CB-CB 4.18Å; K32-M385 HydrophobicContact CB-CG 4.4Å; K32-M385 HydrophobicContact CB-SD 3.89Å; K32-M385 HydrophobicContact CG-CB 4.23Å; K32-M385 HydrophobicContact CG-CG 4.49Å; K32-M385 HydrophobicContact CG-SD 4.49Å; A301-M385 HydrophobicContact CB-CE 3.59Å; A381-M385 WeakPolarHBondContact O-CB 3.25Å; A381-M385 PolarHBondContact O-N 3.35Å; A381-M385 VanDerWaalsContact O-N 3.13Å; V382-M385 HydrophobicContact CG1-CE 4.1Å; V382-M385 WeakPolarHBondContact O-CB 3.45Å; V382-M385 PolarHBondContact O-N 2.96Å; D383-M385 VanDerWaalsContact C-N 3.27Å; D383-M385 PolarHBondContact O-N 3.28Å; M385-D389 WeakPolarHBondContact CA-OD2 3.35Å; M385-D389 HydrophobicContact CG-CB 4.44Å; M385-D389 PolarHBondContact O-N 2.91Å; M385-I390 VanDerWaalsContact O-CG1 3.31Å; M385-I390 WeakPolarHBondContact O-CG1 3.49Å; M385-I390 PolarHBondContact O-N 2.89Å
386L93.1Very high91.8Very high41 Ų4151.4 Ų51.422%0.21530%0.298CS..Iπ-helixtrans-66.8-37.5-177.7-71.8173000113I298 A301 K305 V382 D383 I390I298-L386 HydrophobicContact CB-CD2 4.47Å; I298-L386 HydrophobicContact CG1-CD2 4.3Å; I298-L386 HydrophobicContact CG2-CD2 4.15Å; A301-L386 HydrophobicContact CB-CD1 4.45Å; A301-L386 HydrophobicContact CB-CD2 4.02Å; A301-L386 HydrophobicContact CB-CG 4.44Å; K305-L386 HydrophobicContact CD-CD1 4.18Å; V382-L386 HydrophobicContact CG1-CD1 4.2Å; V382-L386 HydrophobicContact CG1-CG 4.44Å; V382-L386 WeakPolarHBondContact O-CG 3.42Å; V382-L386 PolarHBondContact O-N 2.84Å; D383-L386 PolarHBondContact O-N 2.98Å; L386-I390 HydrophobicContact CD2-CD1 3.76Å
387A91Very high91.2Very high68 Ų6847.9 Ų47.956%0.56228%0.275SS*.Iπ-helixtrans-84.3-40.6-175.200000113.2D383D383-A387 VanDerWaalsContact O-CB 3.26Å; D383-A387 WeakPolarHBondContact O-CB 3.46Å; D383-A387 PolarHBondContact O-N 3.49Å
388N90.7Very high90.5Very high97 Ų9747.5 Ų47.552%0.51927%0.269SS..Iπ-helixtrans-114.7-53.2-168.6-58.2-47.4000112.5D384 I390 A391 G392D384-N388 WeakPolarHBondContact O-CB 3.38Å; D384-N388 PolarHBondContact O-N 3.28Å; D384-N388 PolarHBondContact OD1-ND2 2.99Å; N388-I390 PolarHBondContact O-N 3.43Å; N388-A391 PolarHBondContact O-N 2.85Å; N388-G392 PolarHBondContact O-N 3.41Å
389D91.1Very high89.7Confident41 Ų4150.4 Ų50.422%0.21928%0.281CS..Iπ-helixtrans-66.7-38.6-172.1-62-41.4000111.5L28 K32 D384 M385 A391 G392 L393L28-D389 HydrophobicContact CD1-CB 3.78Å; L28-D389 HydrophobicContact CD2-CB 3.72Å; L28-D389 HydrophobicContact CG-CB 4.43Å; K32-D389 IonicContact NZ-OD2 3.05Å; K32-D389 PolarHBondContact NZ-OD2 2.92Å; D384-D389 PolarHBondContact O-N 3.44Å; M385-D389 WeakPolarHBondContact CA-OD2 3.35Å; M385-D389 HydrophobicContact CG-CB 4.44Å; M385-D389 PolarHBondContact O-N 2.91Å; D389-A391 VanDerWaalsContact C-N 3.35Å; D389-A391 PolarHBondContact O-N 3.14Å; D389-G392 PolarHBondContact O-N 3.35Å; D389-L393 PolarHBondContact O-N 2.91Å; D389-L393 VanDerWaalsContact O-N 3.13Å
390I89.1Confident88.8Confident15 Ų1552.4 Ų52.48%0.07729%0.29CS..Hα-helixtrans-65.1-36177.4-72.9-174.2000112.6L294 I298 M385 L386 N388 G392 L393 M394L294-I390 HydrophobicContact CD1-CD1 4.34Å; L294-I390 HydrophobicContact CD1-CG1 4.1Å; L294-I390 HydrophobicContact CD1-CG2 4.14Å; L294-I390 HydrophobicContact CD2-CG2 4.45Å; I298-I390 HydrophobicContact CD1-CD1 3.91Å; I298-I390 HydrophobicContact CD1-CG2 4.04Å; I298-I390 HydrophobicContact CG1-CD1 3.33Å; M385-I390 VanDerWaalsContact O-CG1 3.31Å; M385-I390 WeakPolarHBondContact O-CG1 3.49Å; M385-I390 PolarHBondContact O-N 2.89Å; L386-I390 HydrophobicContact CD2-CD1 3.76Å; N388-I390 PolarHBondContact O-N 3.43Å; I390-G392 VanDerWaalsContact C-N 3.26Å; I390-G392 PolarHBondContact O-N 3.04Å; I390-L393 PolarHBondContact O-N 2.58Å; I390-M394 HydrophobicContact CG2-CG 4.41Å; I390-M394 WeakPolarHBondContact O-CG 3.43Å; I390-M394 PolarHBondContact O-N 3.11Å
391A86.3Confident87.7Confident57 Ų5748.8 Ų48.847%0.47127%0.274SS..Hα-helixtrans-61.8-38.2176.200000111.2N388 D389 M394 V395N388-A391 PolarHBondContact O-N 2.85Å; D389-A391 VanDerWaalsContact C-N 3.35Å; D389-A391 PolarHBondContact O-N 3.14Å; A391-M394 PolarHBondContact O-N 3.39Å; A391-V395 PolarHBondContact O-N 3.05Å
392G84.6Confident86.6Confident39 Ų3953 Ų5340%0.40230%0.297SS..Hα-helixtrans-63.6-45.1172.700000112.7N388 D389 I390 M394 V395 L396N388-G392 PolarHBondContact O-N 3.41Å; D389-G392 PolarHBondContact O-N 3.35Å; I390-G392 VanDerWaalsContact C-N 3.26Å; I390-G392 PolarHBondContact O-N 3.04Å; G392-M394 VanDerWaalsContact C-N 3.33Å; G392-M394 PolarHBondContact O-N 3.24Å; G392-V395 PolarHBondContact O-N 2.97Å; G392-L396 PolarHBondContact O-N 2.94Å
393L85.8Confident85.2Confident0 Ų060.3 Ų60.30%033%0.331CS..Hα-helixtrans-63.1-36.9176.4-73.6177.7000112.8F18 L25 L28 L294 D389 I390 V395 L396 V397F18-L393 HydrophobicContact CD2-CD2 4.13Å; F18-L393 HydrophobicContact CE2-CD2 4.39Å; L25-L393 HydrophobicContact CD2-CD1 3.82Å; L25-L393 HydrophobicContact CG-CD1 4.31Å; L28-L393 HydrophobicContact CD1-CD1 3.4Å; L28-L393 HydrophobicContact CD1-CG 4.3Å; L28-L393 HydrophobicContact CG-CD1 4.49Å; L294-L393 HydrophobicContact CD1-CB 4.37Å; L294-L393 HydrophobicContact CD1-CD1 4.06Å; D389-L393 PolarHBondContact O-N 2.91Å; D389-L393 VanDerWaalsContact O-N 3.13Å; I390-L393 PolarHBondContact O-N 2.58Å; L393-V395 PolarHBondContact O-N 2.99Å; L393-L396 HydrophobicContact CD2-CD1 4.23Å; L393-L396 CarbonylContact O-C 3.32Å; L393-L396 WeakPolarHBondContact O-CB 3.22Å; L393-L396 PolarHBondContact O-N 2.96Å; L393-V397 WeakPolarHBondContact O-CG2 3.32Å; L393-V397 PolarHBondContact O-N 3.04Å
394M85.1Confident83.8Confident56 Ų5663.9 Ų63.928%0.27634%0.344SS..Hα-helixtrans-60.3-33.3176.5-76.1-62.4-60.900112.9L291 L294 I390 A391 G392 R398L291-M394 HydrophobicContact CD1-CE 3.88Å; L291-M394 HydrophobicContact CD1-SD 4.14Å; L294-M394 HydrophobicContact CD2-CG 3.91Å; L294-M394 HydrophobicContact CD2-SD 3.23Å; L294-M394 WeakPolarHBondContact CD2-SD 3.34Å; I390-M394 HydrophobicContact CG2-CG 4.41Å; I390-M394 WeakPolarHBondContact O-CG 3.43Å; I390-M394 PolarHBondContact O-N 3.11Å; A391-M394 PolarHBondContact O-N 3.39Å; G392-M394 VanDerWaalsContact C-N 3.33Å; G392-M394 PolarHBondContact O-N 3.24Å; M394-R398 WeakPolarHBondContact O-CG 3.28Å; M394-R398 PolarHBondContact O-N 3.45Å
395V85.4Confident81.9Confident81 Ų8165.2 Ų65.249%0.49135%0.354SS..Hα-helixtrans-68.3-43.5173.9177.40000110.4A391 G392 L393 R398 Q399A391-V395 PolarHBondContact O-N 3.05Å; G392-V395 PolarHBondContact O-N 2.97Å; L393-V395 PolarHBondContact O-N 2.99Å; V395-R398 PolarHBondContact O-N 2.96Å; V395-Q399 WeakPolarHBondContact O-CG 3.27Å; V395-Q399 PolarHBondContact O-N 3.05Å
396L82.8Confident80Confident41 Ų4171 Ų7122%0.21539%0.386CS..Hα-helixtrans-64.5-40.4177.2-69.3172.1000112.4F18 V21 G392 L393 R398 Q399 E400F18-L396 HydrophobicContact CB-CD1 3.93Å; F18-L396 HydrophobicContact CD2-CD1 3.91Å; F18-L396 HydrophobicContact CG-CD1 4.4Å; V21-L396 HydrophobicContact CG2-CB 4.05Å; G392-L396 PolarHBondContact O-N 2.94Å; L393-L396 HydrophobicContact CD2-CD1 4.23Å; L393-L396 CarbonylContact O-C 3.32Å; L393-L396 WeakPolarHBondContact O-CB 3.22Å; L393-L396 PolarHBondContact O-N 2.96Å; L396-R398 VanDerWaalsContact C-N 3.33Å; L396-R398 PolarHBondContact O-N 3.02Å; L396-Q399 WeakPolarHBondContact O-CB 3.07Å; L396-Q399 PolarHBondContact O-N 3.3Å; L396-Q399 VanDerWaalsContact O-N 3.13Å; L396-E400 PolarHBondContact O-N 2.93Å
397V83.9Confident78.5Confident2 Ų270.8 Ų70.81%0.01239%0.389CS..Hα-helixtrans-55.3-49.3173.9171.80000110.5V21 A290 L291 L393 Q399 E400 E401V21-V397 HydrophobicContact CB-CG2 4.45Å; V21-V397 HydrophobicContact CG1-CG2 3.82Å; V21-V397 HydrophobicContact CG2-CB 4.44Å; V21-V397 HydrophobicContact CG2-CG2 3.74Å; A290-V397 HydrophobicContact CB-CG2 4.39Å; L291-V397 HydrophobicContact CB-CG1 4.21Å; L291-V397 HydrophobicContact CD1-CG1 4.12Å; L393-V397 WeakPolarHBondContact O-CG2 3.32Å; L393-V397 PolarHBondContact O-N 3.04Å; V397-Q399 VanDerWaalsContact C-N 3.3Å; V397-Q399 PolarHBondContact O-N 3.07Å; V397-E400 PolarHBondContact O-N 2.77Å; V397-E401 HydrophobicContact CG1-CG 4.45Å; V397-E401 WeakPolarHBondContact O-CB 3.48Å; V397-E401 WeakPolarHBondContact O-CG 3.33Å; V397-E401 PolarHBondContact O-N 2.96Å
398R82.5Confident77.8Confident167 Ų16770 Ų7063%0.6338%0.377SS*.Hα-helixtrans-62.4-37.5178-69.2176.4-177.7-171.81.4112.4M394 V395 L396 T402M394-R398 WeakPolarHBondContact O-CG 3.28Å; M394-R398 PolarHBondContact O-N 3.45Å; V395-R398 PolarHBondContact O-N 2.96Å; L396-R398 VanDerWaalsContact C-N 3.33Å; L396-R398 PolarHBondContact O-N 3.02Å; R398-T402 WeakPolarHBondContact O-CB 3.26Å; R398-T402 PolarHBondContact O-N 3.44Å; R398-T402 VanDerWaalsContact O-N 3.09Å; R398-T402 PolarHBondContact O-OG1 3.49Å
399Q80.5Confident77.3Confident97 Ų9765.5 Ų65.545%0.45335%0.353SS..Hα-helixtrans-67.5-45.6176.7-71.8176.3-0.600111.7V395 L396 V397 T402 Q403V395-Q399 WeakPolarHBondContact O-CG 3.27Å; V395-Q399 PolarHBondContact O-N 3.05Å; L396-Q399 WeakPolarHBondContact O-CB 3.07Å; L396-Q399 PolarHBondContact O-N 3.3Å; L396-Q399 VanDerWaalsContact O-N 3.13Å; V397-Q399 VanDerWaalsContact C-N 3.3Å; V397-Q399 PolarHBondContact O-N 3.07Å; Q399-T402 PolarHBondContact O-N 2.82Å; Q399-Q403 WeakPolarHBondContact O-CG 3.21Å; Q399-Q403 PolarHBondContact O-N 3.04Å
400E76.8Confident76.9Confident50 Ų5069.1 Ų69.123%0.23437%0.367CS..Hα-helixtrans-61.4-43.5175.5-77.8-170-179.700111.9T20 V21 L396 V397 T402 Q403 K404T20-E400 VanDerWaalsContact CA-OE1 3.24Å; T20-E400 WeakPolarHBondContact CA-OE1 3.3Å; V21-E400 HydrophobicContact CG2-CG 4.27Å; V21-E400 WeakPolarHBondContact CG2-OE2 3.49Å; V21-E400 PolarHBondContact N-OE1 2.85Å; L396-E400 PolarHBondContact O-N 2.93Å; V397-E400 PolarHBondContact O-N 2.77Å; E400-T402 VanDerWaalsContact C-N 3.26Å; E400-T402 PolarHBondContact O-N 2.91Å; E400-Q403 PolarHBondContact O-N 2.85Å; E400-K404 PolarHBondContact O-N 3.38Å
401E73.8Confident76.5Confident43 Ų4368.7 Ų68.720%0.20137%0.367CS..Hα-helixtrans-60.9-35.5175.8-76.5177.2-17800112.3V397V397-E401 HydrophobicContact CG1-CG 4.45Å; V397-E401 WeakPolarHBondContact O-CB 3.48Å; V397-E401 WeakPolarHBondContact O-CG 3.33Å; V397-E401 PolarHBondContact O-N 2.96Å
402T73.2Confident76.4Confident114 Ų11466.6 Ų66.670%0.69935%0.35SS*.Hα-helixtrans-75.5-34.1177.9-51.20000111.9R398 Q399 E400R398-T402 WeakPolarHBondContact O-CB 3.26Å; R398-T402 PolarHBondContact O-N 3.44Å; R398-T402 VanDerWaalsContact O-N 3.09Å; R398-T402 PolarHBondContact O-OG1 3.49Å; Q399-T402 PolarHBondContact O-N 2.82Å; E400-T402 VanDerWaalsContact C-N 3.26Å; E400-T402 PolarHBondContact O-N 2.91Å
403Q69.4Low76.3Confident153 Ų15365 Ų6572%0.71533%0.334SS*.Hα-helixtrans-80.4-25.5-179.8-71.4177.516.100113.4Q399 E400 P405Q399-Q403 WeakPolarHBondContact O-CG 3.21Å; Q399-Q403 PolarHBondContact O-N 3.04Å; E400-Q403 PolarHBondContact O-N 2.85Å; Q403-P405 WeakPolarHBondContact O-CD 3.23Å
404K64.7Low76.1Confident137 Ų13765.2 Ų65.260%0.59633%0.334SS*.  trans-119.759.5178-63.8-179.8-178.3171.90112.3E400 N406 A407E400-K404 PolarHBondContact O-N 3.38Å; K404-N406 PolarHBondContact O-N 3.12Å; K404-N406 VanDerWaalsContact O-N 3.12Å; K404-A407 HydrophobicContact CB-CB 4.43Å; K404-A407 PolarHBondContact O-N 3.4Å
405P54.2Low75.4Confident70 Ų7067.6 Ų67.646%0.45535%0.348SS..THydrogen-bonded Turntrans-64.1-22.1-176.126.1-33.4000113.3Q403Q403-P405 WeakPolarHBondContact O-CD 3.23Å
406N55.5Low74Confident123 Ų12365.9 Ų65.966%0.65835%0.347SS*.THydrogen-bonded Turntrans-102.516.3-174.5-65.7-8.3000114.2K404 V408K404-N406 PolarHBondContact O-N 3.12Å; K404-N406 VanDerWaalsContact O-N 3.12Å; N406-V408 PolarHBondContact O-N 3.39Å
407A61.8Low72.7Confident35 Ų3564.4 Ų64.429%0.28934%0.34SS..  trans-74.665.217100000110.3P286 R287 K404P286-A407 WeakPolarHBondContact CB-O 3.37Å; R287-A407 PolarHBondContact N-O 3.31Å; K404-A407 HydrophobicContact CB-CB 4.43Å; K404-A407 PolarHBondContact O-N 3.4Å
408V77.3Confident71.2Confident52 Ų5268.7 Ų68.732%0.31536%0.362SS..  trans-105.7159174.4-67.60000109.6S148 Q283 N406 K410S148-V408 PolarHBondContact OG-O 3.45Å; Q283-V408 WeakPolarHBondContact O-CA 3.5Å; N406-V408 PolarHBondContact O-N 3.39Å; V408-K410 HydrophobicContact CG2-CG 4.29Å
409V79.8Confident69.5Low2 Ų268.3 Ų68.31%0.01237%0.372CS..  trans-65133.3167-176.10000108.5V145 I149 Q283 P286 F414V145-V409 HydrophobicContact CB-CG1 4.22Å; V145-V409 HydrophobicContact CG1-CG1 3.74Å; V145-V409 HydrophobicContact CG2-CG1 4.33Å; I149-V409 HydrophobicContact CD1-CG1 4.44Å; I149-V409 HydrophobicContact CD1-CG2 4.24Å; I149-V409 HydrophobicContact CG1-CG1 4.47Å; I149-V409 HydrophobicContact CG1-CG2 4.23Å; I149-V409 HydrophobicContact CG2-CG2 3.68Å; Q283-V409 HydrophobicContact CB-CB 4.5Å; Q283-V409 HydrophobicContact CG-CB 4.06Å; Q283-V409 PolarHBondContact O-N 3.47Å; P286-V409 HydrophobicContact CG-CG2 4.03Å; V409-F414 HydrophobicContact CB-CD2 4.43Å; V409-F414 HydrophobicContact CG1-CD2 3.52Å; V409-F414 HydrophobicContact CG1-CE2 3.59Å; V409-F414 HydrophobicContact CG1-CG 4.04Å; V409-F414 HydrophobicContact CG1-CZ 4.14Å
410K81.8Confident68Low118 Ų11864.9 Ų64.951%0.51336%0.363SS..  trans-126.5156.1-178.4-63-176.6-179-177.70109.9P144 V145 V408P144-K410 CarbonylContact C-O 3.58Å; P144-K410 VanDerWaalsContact C-O 3.22Å; P144-K410 WeakPolarHBondContact CB-O 3.32Å; V145-K410 WeakPolarHBondContact CA-O 3.41Å; V145-K410 PolarHBondContact N-O 3.42Å; V145-K410 VanDerWaalsContact N-O 3.17Å; V408-K410 HydrophobicContact CG2-CG 4.29Å
411G81.6Confident66.3Low6 Ų667.9 Ų67.96%0.06239%0.387CS..SBendtrans76.9172179.400000113.5V145 F414 D415V145-G411 WeakPolarHBondContact CG2-O 3.31Å; G411-F414 WeakPolarHBondContact O-CB 3.39Å; G411-F414 WeakPolarHBondContact O-CD2 3.36Å; G411-D415 WeakPolarHBondContact CA-OD1 3.28Å; G411-D415 VanDerWaalsContact CA-OD2 3.3Å; G411-D415 WeakPolarHBondContact CA-OD2 3.46Å; G411-D415 PolarHBondContact N-OD1 3.16Å; G411-D415 PolarHBondContact N-OD2 3.1Å
412G84.3Confident65.3Low12 Ų1272.2 Ų72.212%0.12441%0.405CS..G310 helixtrans59.2-147.5-174.900000111.9E80 F414 D415E80-G412 VanDerWaalsContact CD-C 3.4Å; G412-F414 PolarHBondContact O-N 3.01Å; G412-D415 PolarHBondContact O-N 2.87Å
413A82.5Confident64.4Low7 Ų767.6 Ų67.66%0.05838%0.381CS..G310 helixtrans-65.1-7.5-174.700000114.1Y77 L78 E80 F279Y77-A413 WeakPolarHBondContact O-CB 3.29Å; L78-A413 PolarHBondContact O-N 3.45Å; L78-A413 VanDerWaalsContact O-N 3.13Å; E80-A413 HydrophobicContact CG-CB 4.32Å; F279-A413 HydrophobicContact CD2-CB 4.48Å; F279-A413 HydrophobicContact CE2-CB 3.57Å; F279-A413 WeakPolarHBondContact CE2-O 3.49Å; F279-A413 HydrophobicContact CZ-CB 3.93Å
414F81.9Confident63.2Low3 Ų366.9 Ų66.91%0.01338%0.377CS..G310 helixtrans-79.1-26-179.3-65.6-69.3000113.5L78 V145 F279 I282 Q283 V409 G411 G412 T417L78-F414 HydrophobicContact CB-CE2 4.4Å; L78-F414 HydrophobicContact CD2-CE1 4.42Å; L78-F414 HydrophobicContact CD2-CE2 4.15Å; L78-F414 HydrophobicContact CD2-CZ 3.73Å; V145-F414 HydrophobicContact CG1-CD2 4.31Å; V145-F414 HydrophobicContact CG1-CE2 3.78Å; V145-F414 HydrophobicContact CG2-CD2 3.84Å; V145-F414 HydrophobicContact CG2-CE2 4.09Å; F279-F414 HydrophobicContact CB-CD1 3.91Å; F279-F414 HydrophobicContact CB-CE1 3.88Å; F279-F414 HydrophobicContact CD1-CE1 4.22Å; F279-F414 HydrophobicContact CD2-CD1 4.23Å; F279-F414 HydrophobicContact CD2-CE1 4.41Å; F279-F414 HydrophobicContact CG-CD1 4.09Å; F279-F414 AromaticContact CG-CE1 3.92Å; F279-F414 HydrophobicContact CG-CE1 3.92Å; I282-F414 HydrophobicContact CB-CE1 4.07Å; I282-F414 HydrophobicContact CB-CZ 4.21Å; I282-F414 HydrophobicContact CG2-CE1 4Å; I282-F414 HydrophobicContact CG2-CZ 3.67Å; Q283-F414 HydrophobicContact CG-CB 4.36Å; Q283-F414 HydrophobicContact CG-CD1 3.44Å; Q283-F414 VanDerWaalsContact CG-CD1 3.44Å; Q283-F414 HydrophobicContact CG-CE1 4Å; Q283-F414 HydrophobicContact CG-CG 4.1Å; Q283-F414 PolarHBondContact NE2-O 2.97Å; V409-F414 HydrophobicContact CB-CD2 4.43Å; V409-F414 HydrophobicContact CG1-CD2 3.52Å; V409-F414 HydrophobicContact CG1-CE2 3.59Å; V409-F414 HydrophobicContact CG1-CG 4.04Å; V409-F414 HydrophobicContact CG1-CZ 4.14Å; G411-F414 WeakPolarHBondContact O-CB 3.39Å; G411-F414 WeakPolarHBondContact O-CD2 3.36Å; G412-F414 PolarHBondContact O-N 3.01Å; F414-T417 PolarHBondContact O-OG1 3.32Å
415D70.3Confident62.6Low107 Ų10761.9 Ų61.957%0.57236%0.364SS*.THydrogen-bonded Turntrans-74.4-26.1-176.2-75.3-5.5000112.6G411 G412G411-D415 WeakPolarHBondContact CA-OD1 3.28Å; G411-D415 VanDerWaalsContact CA-OD2 3.3Å; G411-D415 WeakPolarHBondContact CA-OD2 3.46Å; G411-D415 PolarHBondContact N-OD1 3.16Å; G411-D415 PolarHBondContact N-OD2 3.1Å; G412-D415 PolarHBondContact O-N 2.87Å
416G56.5Low62.6Low44 Ų4461.5 Ų61.545%0.45435%0.354SS..THydrogen-bonded Turntrans-80.6-13.2-179.700000115.5
417T55.2Low62.9Low11 Ų1157.2 Ų57.27%0.06734%0.338CS..THydrogen-bonded Turntrans-89.7-11-166.252.90000116.3Q276 F279 F414Q276-T417 HydrophobicContact CG-CG2 4.04Å; F279-T417 HydrophobicContact CD2-CG2 3.57Å; F279-T417 HydrophobicContact CE2-CG2 4.23Å; F414-T417 PolarHBondContact O-OG1 3.32Å
418L51.6Low63.1Low91 Ų9158 Ų5848%0.47634%0.336SS..THydrogen-bonded Turntrans-124.6-38-172.5-69.4168000114.4
419D47.5Very low63.2Low159 Ų15955.9 Ų55.985%0.8532%0.324SS*.SBendtrans-146.922.5-171.4-70.8-55.9000114.4
420G48.1Very low63.1Low25 Ų2556.3 Ų56.326%0.25833%0.329SS..SBendtrans-81162.1174.800000112.8F422 G423G420-F422 PolarHBondContact O-N 3.07Å; G420-G423 PolarHBondContact O-N 3.21Å
421P42Very low62.7Low113 Ų11351.3 Ų51.373%0.73431%0.31SS*.THydrogen-bonded Turntrans-61.7-6.1171.724.6-31.2000113.7Y426P421-Y426 VanDerWaalsContact O-CD2 3.28Å; P421-Y426 WeakPolarHBondContact O-CD2 3.45Å
422F51.5Low62.6Low134 Ų13453.2 Ų53.259%0.58832%0.318SS*.THydrogen-bonded Turntrans-115.213.5176-52.6-86.4000113.1G420 Y426G420-F422 PolarHBondContact O-N 3.07Å; F422-Y426 HydrophobicContact CB-CD2 4.13Å; F422-Y426 HydrophobicContact CB-CG 4.23Å; F422-Y426 HydrophobicContact CD1-CD1 4.01Å; F422-Y426 AromaticContact CD1-CD2 3.63Å; F422-Y426 HydrophobicContact CD1-CD2 3.63Å; F422-Y426 AromaticContact CD1-CE1 3.64Å; F422-Y426 HydrophobicContact CD1-CE1 3.64Å; F422-Y426 AromaticContact CD1-CE2 3.18Å; F422-Y426 HydrophobicContact CD1-CE2 3.18Å; F422-Y426 HydrophobicContact CD1-CG 4.01Å; F422-Y426 AromaticContact CD1-CZ 3.21Å; F422-Y426 HydrophobicContact CE1-CD2 4.43Å; F422-Y426 HydrophobicContact CE1-CE1 4.07Å; F422-Y426 AromaticContact CE1-CE2 3.56Å; F422-Y426 HydrophobicContact CE1-CE2 3.56Å; F422-Y426 AromaticContact CE1-CZ 3.35Å; F422-Y426 VanDerWaalsContact CE1-OH 3.22Å; F422-Y426 WeakPolarHBondContact CE1-OH 3.26Å; F422-Y426 HydrophobicContact CG-CD2 4.21Å; F422-Y426 HydrophobicContact CG-CE2 4.09Å
423G54.3Low62.3Low18 Ų1853 Ų5319%0.18632%0.316CS..  trans-69.1167.9178.900000113.4G420 G425 Y426G420-G423 PolarHBondContact O-N 3.21Å; G423-G425 PolarHBondContact O-N 3.19Å; G423-Y426 PolarHBondContact O-N 3.32Å
424H44.9Very low62Low138 Ų13855.6 Ų55.664%0.63933%0.328SS*.THydrogen-bonded Turntrans-15.9112.5-178.5-124.5-56.7000115.6Q276Q276-H424 PolarHBondContact OE1-CD2 3.48Å; Q276-H424 PolarHBondContact OE1-NE2 2.81Å
425G51.9Low61.5Low31 Ų3161.3 Ų61.332%0.3236%0.359SS..THydrogen-bonded Turntrans90.713.9-179.600000115G423 G427 E428G423-G425 PolarHBondContact O-N 3.19Å; G425-G427 PolarHBondContact O-N 2.95Å; G425-E428 PolarHBondContact O-N 3.32Å
426Y55.1Low61.7Low63 Ų6359.9 Ų59.925%0.24735%0.349CS..THydrogen-bonded Turntrans-58125.2167.6-169.5-97.8000110.4P421 F422 G423 E428 I434 D435P421-Y426 VanDerWaalsContact O-CD2 3.28Å; P421-Y426 WeakPolarHBondContact O-CD2 3.45Å; F422-Y426 HydrophobicContact CB-CD2 4.13Å; F422-Y426 HydrophobicContact CB-CG 4.23Å; F422-Y426 HydrophobicContact CD1-CD1 4.01Å; F422-Y426 AromaticContact CD1-CD2 3.63Å; F422-Y426 HydrophobicContact CD1-CD2 3.63Å; F422-Y426 AromaticContact CD1-CE1 3.64Å; F422-Y426 HydrophobicContact CD1-CE1 3.64Å; F422-Y426 AromaticContact CD1-CE2 3.18Å; F422-Y426 HydrophobicContact CD1-CE2 3.18Å; F422-Y426 HydrophobicContact CD1-CG 4.01Å; F422-Y426 AromaticContact CD1-CZ 3.21Å; F422-Y426 HydrophobicContact CE1-CD2 4.43Å; F422-Y426 HydrophobicContact CE1-CE1 4.07Å; F422-Y426 AromaticContact CE1-CE2 3.56Å; F422-Y426 HydrophobicContact CE1-CE2 3.56Å; F422-Y426 AromaticContact CE1-CZ 3.35Å; F422-Y426 VanDerWaalsContact CE1-OH 3.22Å; F422-Y426 WeakPolarHBondContact CE1-OH 3.26Å; F422-Y426 HydrophobicContact CG-CD2 4.21Å; F422-Y426 HydrophobicContact CG-CE2 4.09Å; G423-Y426 PolarHBondContact O-N 3.32Å; Y426-E428 VanDerWaalsContact C-N 3.28Å; Y426-E428 PolarHBondContact O-N 3.04Å; Y426-I434 HydrophobicContact CD1-CG2 4.25Å; Y426-I434 HydrophobicContact CD2-CD1 4.24Å; Y426-I434 HydrophobicContact CD2-CG2 4.22Å; Y426-I434 HydrophobicContact CE1-CG2 3.72Å; Y426-I434 HydrophobicContact CE2-CD1 3.71Å; Y426-I434 HydrophobicContact CE2-CG1 4.17Å; Y426-I434 HydrophobicContact CE2-CG2 3.73Å; Y426-I434 HydrophobicContact CG-CG2 4.48Å; Y426-I434 VanDerWaalsContact CZ-CG2 3.42Å; Y426-D435 WeakPolarHBondContact CE1-OD2 3.31Å; Y426-D435 PolarHBondContact OH-OD1 3.29Å
427G60.8Low62.5Low32 Ų3262.6 Ų62.633%0.3337%0.367SS..THydrogen-bonded Turntrans78.74.2-173.300000115G425 G431 E432G425-G427 PolarHBondContact O-N 2.95Å; G427-G431 CarbonylContact C-O 3.57Å; G427-G431 WeakPolarHBondContact CA-O 3.45Å; G427-G431 PolarHBondContact N-O 3.47Å; G427-E432 WeakPolarHBondContact O-CA 3.45Å
428E65.3Low63.9Low53 Ų5369.5 Ų69.525%0.24840%0.398CS..SBendtrans-125.9155.8-177.7-56.5-164.5148.800113.6K269 G425 Y426 A430 G431 H515K269-E428 WeakPolarHBondContact CD-OE1 3.46Å; K269-E428 WeakPolarHBondContact CE-OE1 2.88Å; K269-E428 VanDerWaalsContact CG-OE1 3.28Å; K269-E428 WeakPolarHBondContact CG-OE1 3.09Å; K269-E428 IonicContact NZ-OE1 2.77Å; K269-E428 PolarHBondContact NZ-OE1 3.15Å; G425-E428 PolarHBondContact O-N 3.32Å; Y426-E428 VanDerWaalsContact C-N 3.28Å; Y426-E428 PolarHBondContact O-N 3.04Å; E428-A430 PolarHBondContact O-N 3.45Å; E428-A430 VanDerWaalsContact O-N 3.08Å; E428-G431 WeakPolarHBondContact O-CA 3.33Å; E428-G431 PolarHBondContact O-N 3.34Å; E428-H515 IonicContact OE2-CE1 2.72Å; E428-H515 PolarHBondContact OE2-CE1 2.96Å
429G81.1Confident65.8Low6 Ų665.8 Ų65.86%0.06238%0.378CS..G310 helixtrans55-116.718000000110.9G431 E432 V510G429-G431 PolarHBondContact O-N 3.4Å; G429-E432 WeakPolarHBondContact O-CB 3.41Å; G429-E432 PolarHBondContact O-N 2.64Å; G429-V510 WeakPolarHBondContact O-CG2 2.99Å
430A76.6Confident67.8Low12 Ų1258.4 Ų58.410%0.09934%0.338CS..G310 helixtrans-78.9-2.1176.200000114.9E428 P518 H524 L525E428-A430 PolarHBondContact O-N 3.45Å; E428-A430 VanDerWaalsContact O-N 3.08Å; A430-P518 HydrophobicContact CB-CB 4.17Å; A430-P518 VanDerWaalsContact CB-CD 3.47Å; A430-P518 HydrophobicContact CB-CG 3.66Å; A430-H524 PolarHBondContact O-CE1 3.08Å; A430-H524 VanDerWaalsContact O-CE1 3.31Å; A430-H524 PolarHBondContact O-NE2 3.08Å; A430-L525 HydrophobicContact CB-CD1 4.08Å; A430-L525 WeakPolarHBondContact O-CD1 3.28Å
431G73.7Confident69.9Low13 Ų1357.2 Ų57.213%0.13433%0.326CS..G310 helixtrans-972.2168.100000113.6G427 E428 G429 G433 I434G427-G431 CarbonylContact C-O 3.57Å; G427-G431 WeakPolarHBondContact CA-O 3.45Å; G427-G431 PolarHBondContact N-O 3.47Å; E428-G431 WeakPolarHBondContact O-CA 3.33Å; E428-G431 PolarHBondContact O-N 3.34Å; G429-G431 PolarHBondContact O-N 3.4Å; G431-G433 PolarHBondContact O-N 2.67Å; G431-I434 VanDerWaalsContact O-CB 3.26Å; G431-I434 WeakPolarHBondContact O-CB 3.26Å; G431-I434 VanDerWaalsContact O-CG2 3.31Å; G431-I434 WeakPolarHBondContact O-CG2 3.44Å; G431-I434 PolarHBondContact O-N 3.16Å; G431-I434 VanDerWaalsContact O-N 3.15Å
432E80.4Confident72.1Confident46 Ų4654.1 Ų54.122%0.21531%0.31CS..THydrogen-bonded Turntrans-58.5129177.9-162.8-168.9164.600110.5G427 G429 I434 V440 R443 H506 H524G427-E432 WeakPolarHBondContact O-CA 3.45Å; G429-E432 WeakPolarHBondContact O-CB 3.41Å; G429-E432 PolarHBondContact O-N 2.64Å; E432-I434 VanDerWaalsContact C-N 3.32Å; E432-I434 PolarHBondContact O-N 2.96Å; E432-V440 HydrophobicContact CB-CG2 4.23Å; E432-V440 HydrophobicContact CG-CG2 3.84Å; E432-V440 WeakPolarHBondContact O-CG1 3.37Å; E432-R443 IonicContact OE1-NH1 3.49Å; E432-H506 IonicContact OE2-CE1 2.73Å; E432-H506 PolarHBondContact OE2-CE1 2.99Å; E432-H524 PolarHBondContact O-CD2 2.66Å; E432-H524 PolarHBondContact O-NE2 2.95Å
433G76.9Confident74Confident8 Ų854.5 Ų54.58%0.08231%0.307CS..THydrogen-bonded Turntrans7219.3-178.500000115.1G431 D435 E436G431-G433 PolarHBondContact O-N 2.67Å; G433-D435 PolarHBondContact O-N 3.27Å; G433-E436 WeakPolarHBondContact O-CB 3.29Å; G433-E436 PolarHBondContact O-N 3.16Å
434I75.9Confident75.7Confident60 Ų6056.2 Ų56.231%0.30831%0.312SS..THydrogen-bonded Turntrans-59.7-29.9176.6-167.6159000114.1Y426 G431 E432Y426-I434 HydrophobicContact CD1-CG2 4.25Å; Y426-I434 HydrophobicContact CD2-CD1 4.24Å; Y426-I434 HydrophobicContact CD2-CG2 4.22Å; Y426-I434 HydrophobicContact CE1-CG2 3.72Å; Y426-I434 HydrophobicContact CE2-CD1 3.71Å; Y426-I434 HydrophobicContact CE2-CG1 4.17Å; Y426-I434 HydrophobicContact CE2-CG2 3.73Å; Y426-I434 HydrophobicContact CG-CG2 4.48Å; Y426-I434 VanDerWaalsContact CZ-CG2 3.42Å; G431-I434 VanDerWaalsContact O-CB 3.26Å; G431-I434 WeakPolarHBondContact O-CB 3.26Å; G431-I434 VanDerWaalsContact O-CG2 3.31Å; G431-I434 WeakPolarHBondContact O-CG2 3.44Å; G431-I434 PolarHBondContact O-N 3.16Å; G431-I434 VanDerWaalsContact O-N 3.15Å; E432-I434 VanDerWaalsContact C-N 3.32Å; E432-I434 PolarHBondContact O-N 2.96Å
435D70.8Confident78Confident124 Ų12451 Ų5166%0.66329%0.288SS*.THydrogen-bonded Turntrans-93.8-0.1175.8-63.8-41.5000113.1Y426 G433Y426-D435 WeakPolarHBondContact CE1-OD2 3.31Å; Y426-D435 PolarHBondContact OH-OD1 3.29Å; G433-D435 PolarHBondContact O-N 3.27Å
436E75.2Confident80.1Confident77 Ų7753.5 Ų53.536%0.3630%0.299SS..  trans-89.5137.7-177.5-63.6-177.7-152.600111.1G433 E438 R443G433-E436 WeakPolarHBondContact O-CB 3.29Å; G433-E436 PolarHBondContact O-N 3.16Å; E436-E438 VanDerWaalsContact C-N 3.29Å; E436-R443 IonicContact OE1-CZ 2.73Å; E436-R443 IonicContact OE1-NH1 2.63Å; E436-R443 IonicContact OE1-NH2 2.74Å; E436-R443 PolarHBondContact OE1-NH2 3.29Å; E436-R443 IonicContact OE2-CZ 3.65Å; E436-R443 IonicContact OE2-NE 3.21Å; E436-R443 IonicContact OE2-NH2 2.71Å; E436-R443 PolarHBondContact OE2-NH2 3.18Å
437A73.6Confident81.9Confident101 Ų10153.1 Ų53.184%0.83531%0.309SS*.SBendtrans-71.1-28.8175.500000112.1
438E84.4Confident83.6Confident155 Ų15552.8 Ų52.872%0.72430%0.297SS*.SBendtrans-89.2153.8178.8-66.9-170.7170.900111.7E436 V440E436-E438 VanDerWaalsContact C-N 3.29Å; E438-V440 PolarHBondContact O-N 3.2Å
439W91.5Very high84.9Confident13 Ų1351.8 Ų51.85%0.04929%0.294CS..  trans-71.4114.1178.5-175.743.8000110.1V441 A442 K445 E499 A502 L503 H524 L525 P527 P528W439-V441 HydrophobicContact CD2-CB 3.83Å; W439-V441 HydrophobicContact CD2-CG2 4.32Å; W439-V441 HydrophobicContact CE3-CB 4.12Å; W439-V441 HydrophobicContact CG-CB 4.49Å; W439-V441 HydrophobicContact CH2-CB 3.88Å; W439-V441 HydrophobicContact CH2-CG1 3.85Å; W439-V441 HydrophobicContact CH2-CG2 4.49Å; W439-V441 HydrophobicContact CZ2-CB 3.58Å; W439-V441 HydrophobicContact CZ2-CG1 3.9Å; W439-V441 HydrophobicContact CZ2-CG2 3.73Å; W439-V441 HydrophobicContact CZ3-CB 4.15Å; W439-V441 HydrophobicContact CZ3-CG1 4.29Å; W439-V441 PolarHBondContact O-N 3.44Å; W439-A442 HydrophobicContact CE3-CB 4.46Å; W439-A442 WeakPolarHBondContact O-CB 3.41Å; W439-A442 PolarHBondContact O-N 3.12Å; W439-K445 HydrophobicContact CZ3-CD 4.32Å; W439-E499 HydrophobicContact CH2-CB 3.94Å; W439-E499 HydrophobicContact CH2-CG 4.46Å; W439-E499 WeakPolarHBondContact CH2-O 3.32Å; W439-E499 HydrophobicContact CZ3-CB 4.25Å; W439-E499 HydrophobicContact CZ3-CG 4.26Å; W439-A502 HydrophobicContact CH2-CB 4.34Å; W439-L503 HydrophobicContact CZ2-CB 4.26Å; W439-H524 VanDerWaalsContact CD1-O 3.24Å; W439-L525 PolarHBondContact NE1-O 3.18Å; W439-P527 HydrophobicContact CH2-CB 4.21Å; W439-P527 HydrophobicContact CH2-CG 4.17Å; W439-P527 HydrophobicContact CZ2-CB 4.07Å; W439-P527 HydrophobicContact CZ2-CG 3.79Å; W439-P528 HydrophobicContact CB-CG 3.88Å; W439-P528 HydrophobicContact CD2-CG 4.32Å; W439-P528 HydrophobicContact CE3-CG 4.28Å; W439-P528 HydrophobicContact CG-CG 4.2Å
440V89.4Confident85.6Confident4 Ų458.5 Ų58.52%0.02432%0.324CS..G310 helixtrans-52.2-35.1-173.771.90000113.9E432 E438 A442 R443 L525E432-V440 HydrophobicContact CB-CG2 4.23Å; E432-V440 HydrophobicContact CG-CG2 3.84Å; E432-V440 WeakPolarHBondContact O-CG1 3.37Å; E438-V440 PolarHBondContact O-N 3.2Å; V440-A442 PolarHBondContact O-N 2.93Å; V440-R443 WeakPolarHBondContact O-CG 3.4Å; V440-R443 PolarHBondContact O-N 3.25Å; V440-L525 HydrophobicContact CG1-CD2 3.43Å; V440-L525 VanDerWaalsContact CG1-CD2 3.43Å
441V92.1Very high86.4Confident0 Ų060.5 Ų60.50%033%0.332CS..G310 helixtrans-66.3-23-179.7-174.30000111.7W439 R443 D444 K445 Y448 A502 L503 H506 L525W439-V441 HydrophobicContact CD2-CB 3.83Å; W439-V441 HydrophobicContact CD2-CG2 4.32Å; W439-V441 HydrophobicContact CE3-CB 4.12Å; W439-V441 HydrophobicContact CG-CB 4.49Å; W439-V441 HydrophobicContact CH2-CB 3.88Å; W439-V441 HydrophobicContact CH2-CG1 3.85Å; W439-V441 HydrophobicContact CH2-CG2 4.49Å; W439-V441 HydrophobicContact CZ2-CB 3.58Å; W439-V441 HydrophobicContact CZ2-CG1 3.9Å; W439-V441 HydrophobicContact CZ2-CG2 3.73Å; W439-V441 HydrophobicContact CZ3-CB 4.15Å; W439-V441 HydrophobicContact CZ3-CG1 4.29Å; W439-V441 PolarHBondContact O-N 3.44Å; V441-R443 PolarHBondContact O-N 3.4Å; V441-R443 VanDerWaalsContact O-N 3.12Å; V441-D444 PolarHBondContact O-N 3.02Å; V441-D444 VanDerWaalsContact O-N 3.15Å; V441-K445 PolarHBondContact O-N 3.4Å; V441-Y448 HydrophobicContact CG1-CD2 4.41Å; V441-Y448 HydrophobicContact CG1-CE2 4.29Å; V441-A502 HydrophobicContact CG1-CB 3.87Å; V441-L503 HydrophobicContact CG2-CD1 4.38Å; V441-H506 HydrophobicContact CG1-CB 3.98Å; V441-H506 HydrophobicContact CG2-CB 3.98Å; V441-L525 HydrophobicContact CG2-CD2 4.45Å
442A89.6Confident87.4Confident48 Ų4860 Ų6040%0.39733%0.326SS..G310 helixtrans-59.2-24.9178.700000113.1W439 V440W439-A442 HydrophobicContact CE3-CB 4.46Å; W439-A442 WeakPolarHBondContact O-CB 3.41Å; W439-A442 PolarHBondContact O-N 3.12Å; V440-A442 PolarHBondContact O-N 2.93Å
443R90.1Very high88Confident142 Ų14264.6 Ų64.654%0.53634%0.342SS..G310 helixtrans-60.8-44.7176.3-65174.7177.5-179.9-4.5112.6E432 E436 V440 V441E432-R443 IonicContact OE1-NH1 3.49Å; E436-R443 IonicContact OE1-CZ 2.73Å; E436-R443 IonicContact OE1-NH1 2.63Å; E436-R443 IonicContact OE1-NH2 2.74Å; E436-R443 PolarHBondContact OE1-NH2 3.29Å; E436-R443 IonicContact OE2-CZ 3.65Å; E436-R443 IonicContact OE2-NE 3.21Å; E436-R443 IonicContact OE2-NH2 2.71Å; E436-R443 PolarHBondContact OE2-NH2 3.18Å; V440-R443 WeakPolarHBondContact O-CG 3.4Å; V440-R443 PolarHBondContact O-N 3.25Å; V441-R443 PolarHBondContact O-N 3.4Å; V441-R443 VanDerWaalsContact O-N 3.12Å
444D91.3Very high88.8Confident54 Ų5469.1 Ų69.129%0.28937%0.369SS..THydrogen-bonded Turntrans-100.2-8.2-176.5-68.4-31000112.4V441 P446 A447 Y448 K509V441-D444 PolarHBondContact O-N 3.02Å; V441-D444 VanDerWaalsContact O-N 3.15Å; D444-P446 VanDerWaalsContact C-CD 3.41Å; D444-P446 VanDerWaalsContact C-N 3.34Å; D444-A447 PolarHBondContact O-N 3.33Å; D444-Y448 HydrophobicContact CB-CD2 4.18Å; D444-Y448 HydrophobicContact CB-CE1 4.37Å; D444-Y448 HydrophobicContact CB-CE2 3.48Å; D444-Y448 VanDerWaalsContact CB-CE2 3.48Å; D444-Y448 PolarHBondContact O-N 3.31Å; D444-K509 IonicContact OD2-NZ 2.71Å; D444-K509 PolarHBondContact OD2-NZ 3.08Å
445K92.9Very high89.5Confident29 Ų2967.5 Ų67.513%0.12636%0.361CS..Hα-helixtrans-50.1-42.6-178.7-169.4-174.2-170.4-52.60113.9W439 V441 A447 Y448 D449 D498 A502W439-K445 HydrophobicContact CZ3-CD 4.32Å; V441-K445 PolarHBondContact O-N 3.4Å; K445-A447 VanDerWaalsContact C-N 3.26Å; K445-A447 PolarHBondContact O-N 3.36Å; K445-Y448 PolarHBondContact O-N 2.79Å; K445-D449 IonicContact NZ-OD1 3.44Å; K445-D449 PolarHBondContact NZ-OD1 3.37Å; K445-D449 IonicContact NZ-OD2 2.88Å; K445-D449 PolarHBondContact NZ-OD2 3.08Å; K445-D449 WeakPolarHBondContact O-CB 2.96Å; K445-D449 VanDerWaalsContact O-CG 3.31Å; K445-D449 PolarHBondContact O-N 2.75Å; K445-D498 IonicContact NZ-OD2 3.52Å; K445-D498 PolarHBondContact NZ-OD2 3.23Å; K445-A502 HydrophobicContact CG-CB 4.07Å
446P95.1Very high90.5Very high84 Ų8465.9 Ų65.955%0.54536%0.359SS..Hα-helixtrans-56.5-38.9178.4-26.635.9000113.5D444 E450D444-P446 VanDerWaalsContact C-CD 3.41Å; D444-P446 VanDerWaalsContact C-N 3.34Å; P446-E450 PolarHBondContact O-N 3.28Å
447A93.6Very high91.3Very high55 Ų5563.8 Ų63.846%0.45535%0.352SS..Hα-helixtrans-72.1-34.7177.400000112D444 K445D444-A447 PolarHBondContact O-N 3.33Å; K445-A447 VanDerWaalsContact C-N 3.26Å; K445-A447 PolarHBondContact O-N 3.36Å
448Y95.5Very high92.1Very high24 Ų2463.9 Ų63.99%0.09434%0.342CS..Hα-helixtrans-71.5-36176-57.1-32.3000112.4V441 D444 K445 E450 I451 F452 A502 N505 H506V441-Y448 HydrophobicContact CG1-CD2 4.41Å; V441-Y448 HydrophobicContact CG1-CE2 4.29Å; D444-Y448 HydrophobicContact CB-CD2 4.18Å; D444-Y448 HydrophobicContact CB-CE1 4.37Å; D444-Y448 HydrophobicContact CB-CE2 3.48Å; D444-Y448 VanDerWaalsContact CB-CE2 3.48Å; D444-Y448 PolarHBondContact O-N 3.31Å; K445-Y448 PolarHBondContact O-N 2.79Å; Y448-E450 VanDerWaalsContact C-N 3.34Å; Y448-I451 PolarHBondContact O-N 3.48Å; Y448-F452 WeakPolarHBondContact O-CB 3.43Å; Y448-F452 PolarHBondContact O-N 2.64Å; Y448-A502 HydrophobicContact CD2-CB 3.88Å; Y448-A502 HydrophobicContact CG-CB 4.47Å; Y448-N505 HydrophobicContact CD1-CB 3.57Å; Y448-N505 HydrophobicContact CD2-CB 4.16Å; Y448-N505 HydrophobicContact CE1-CB 3.61Å; Y448-N505 HydrophobicContact CE2-CB 4.17Å; Y448-N505 HydrophobicContact CG-CB 3.86Å; Y448-H506 HydrophobicContact CE2-CB 4.24Å
449D93.8Very high92.4Very high32 Ų3264.3 Ų64.317%0.17135%0.349CS..Hα-helixtrans-63-40.7176.1-74.1-6000111.1K445 I451 F452 Y453K445-D449 IonicContact NZ-OD1 3.44Å; K445-D449 PolarHBondContact NZ-OD1 3.37Å; K445-D449 IonicContact NZ-OD2 2.88Å; K445-D449 PolarHBondContact NZ-OD2 3.08Å; K445-D449 WeakPolarHBondContact O-CB 2.96Å; K445-D449 VanDerWaalsContact O-CG 3.31Å; K445-D449 PolarHBondContact O-N 2.75Å; D449-I451 VanDerWaalsContact C-N 3.31Å; D449-I451 PolarHBondContact O-N 3.05Å; D449-F452 WeakPolarHBondContact O-CB 3.24Å; D449-F452 PolarHBondContact O-N 3.22Å; D449-Y453 HydrophobicContact CB-CD2 4.42Å; D449-Y453 HydrophobicContact CB-CE2 4.12Å; D449-Y453 WeakPolarHBondContact O-CD2 3.43Å; D449-Y453 PolarHBondContact O-N 2.9Å
450E94.8Very high92.4Very high148 Ų14865.6 Ų65.669%0.69237%0.367SS*.Hα-helixtrans-54.7-48.1173.6-74-175.2179.300111.3P446 Y448 T454P446-E450 PolarHBondContact O-N 3.28Å; Y448-E450 VanDerWaalsContact C-N 3.34Å; E450-T454 VanDerWaalsContact O-CG2 3.28Å; E450-T454 WeakPolarHBondContact O-CG2 3.49Å; E450-T454 PolarHBondContact O-N 2.86Å
451I93.6Very high92.6Very high54 Ų5467.5 Ų67.528%0.27738%0.375SS..Hα-helixtrans-64.1-46177.2-58.4169.4000110.2Y448 D449 Y453 T454 L455 E470 F501Y448-I451 PolarHBondContact O-N 3.48Å; D449-I451 VanDerWaalsContact C-N 3.31Å; D449-I451 PolarHBondContact O-N 3.05Å; I451-Y453 VanDerWaalsContact C-N 3.32Å; I451-Y453 PolarHBondContact O-N 3.25Å; I451-T454 PolarHBondContact O-N 3.32Å; I451-T454 VanDerWaalsContact O-N 3.08Å; I451-T454 PolarHBondContact O-OG1 2.92Å; I451-L455 PolarHBondContact O-N 3.45Å; I451-E470 HydrophobicContact CG2-CG 3.88Å; I451-F501 HydrophobicContact CB-CE1 4.13Å; I451-F501 HydrophobicContact CB-CZ 4.5Å; I451-F501 HydrophobicContact CG2-CE1 3.99Å; I451-F501 HydrophobicContact CG2-CZ 3.85Å
452F94.9Very high92.7Very high1 Ų167.6 Ų67.60%0.00438%0.376CS..Hα-helixtrans-54-47.6-179.6178.8-101.8000112Y448 D449 T454 L455 P457 G460 V462 D497 D498 F501Y448-F452 WeakPolarHBondContact O-CB 3.43Å; Y448-F452 PolarHBondContact O-N 2.64Å; D449-F452 WeakPolarHBondContact O-CB 3.24Å; D449-F452 PolarHBondContact O-N 3.22Å; F452-T454 VanDerWaalsContact C-N 3.33Å; F452-T454 PolarHBondContact O-N 3.15Å; F452-L455 WeakPolarHBondContact O-CB 3.1Å; F452-L455 PolarHBondContact O-N 3.46Å; F452-L455 VanDerWaalsContact O-N 3.11Å; F452-P457 HydrophobicContact CD1-CG 4.09Å; F452-P457 HydrophobicContact CE1-CB 3.72Å; F452-P457 HydrophobicContact CE1-CG 3.64Å; F452-P457 HydrophobicContact CZ-CB 3.75Å; F452-P457 HydrophobicContact CZ-CG 4.2Å; F452-G460 WeakPolarHBondContact CZ-O 3.07Å; F452-V462 HydrophobicContact CD2-CG1 3.88Å; F452-V462 HydrophobicContact CD2-CG2 4.25Å; F452-V462 HydrophobicContact CE2-CB 4.29Å; F452-V462 HydrophobicContact CE2-CG1 3.63Å; F452-V462 HydrophobicContact CE2-CG2 3.88Å; F452-V462 HydrophobicContact CZ-CG1 4.2Å; F452-D497 WeakPolarHBondContact CE2-O 3.47Å; F452-D498 HydrophobicContact CD1-CB 4.01Å; F452-D498 HydrophobicContact CE1-CB 3.82Å; F452-D498 HydrophobicContact CE2-CB 4.46Å; F452-D498 HydrophobicContact CG-CB 4.43Å; F452-D498 HydrophobicContact CZ-CB 4.06Å; F452-F501 HydrophobicContact CB-CD1 3.67Å; F452-F501 HydrophobicContact CB-CE1 3.92Å; F452-F501 HydrophobicContact CB-CG 4.36Å; F452-F501 HydrophobicContact CD2-CB 3.58Å; F452-F501 AromaticContact CD2-CD1 3.81Å; F452-F501 HydrophobicContact CD2-CD1 3.81Å; F452-F501 HydrophobicContact CD2-CD2 4.22Å; F452-F501 AromaticContact CD2-CG 3.61Å; F452-F501 HydrophobicContact CD2-CG 3.61Å; F452-F501 HydrophobicContact CE2-CB 4.01Å; F452-F501 HydrophobicContact CE2-CG 4.43Å; F452-F501 HydrophobicContact CG-CD1 4.22Å; F452-F501 HydrophobicContact CG-CG 4.46Å
453Y93.3Very high92.9Very high143 Ų14368.3 Ų68.356%0.56138%0.375SS*.Hα-helixtrans-69-29.1179.9-69.7-62.6000113.1D449 I451 L455 S456 P457D449-Y453 HydrophobicContact CB-CD2 4.42Å; D449-Y453 HydrophobicContact CB-CE2 4.12Å; D449-Y453 WeakPolarHBondContact O-CD2 3.43Å; D449-Y453 PolarHBondContact O-N 2.9Å; I451-Y453 VanDerWaalsContact C-N 3.32Å; I451-Y453 PolarHBondContact O-N 3.25Å; Y453-L455 PolarHBondContact O-N 3.25Å; Y453-S456 PolarHBondContact O-N 2.96Å; Y453-S456 VanDerWaalsContact O-N 3.16Å; Y453-P457 HydrophobicContact CD1-CG 4.01Å; Y453-P457 HydrophobicContact CE1-CG 4.45Å
454T93.5Very high92.9Very high104 Ų10462.5 Ų62.564%0.63836%0.359SS*.Hα-helixtrans-63.7-23.2172.671.40000113.1E450 I451 F452 S456E450-T454 VanDerWaalsContact O-CG2 3.28Å; E450-T454 WeakPolarHBondContact O-CG2 3.49Å; E450-T454 PolarHBondContact O-N 2.86Å; I451-T454 PolarHBondContact O-N 3.32Å; I451-T454 VanDerWaalsContact O-N 3.08Å; I451-T454 PolarHBondContact O-OG1 2.92Å; F452-T454 VanDerWaalsContact C-N 3.33Å; F452-T454 PolarHBondContact O-N 3.15Å; T454-S456 PolarHBondContact O-N 3.15Å
455L91.6Very high92.9Very high26 Ų2662.9 Ų62.914%0.13637%0.37CS..THydrogen-bonded Turntrans-80.23.1178.7-59.2177.3000113.6I451 F452 Y453 V462 E470 F501I451-L455 PolarHBondContact O-N 3.45Å; F452-L455 WeakPolarHBondContact O-CB 3.1Å; F452-L455 PolarHBondContact O-N 3.46Å; F452-L455 VanDerWaalsContact O-N 3.11Å; Y453-L455 PolarHBondContact O-N 3.25Å; L455-V462 HydrophobicContact CB-CG1 3.88Å; L455-V462 HydrophobicContact CD1-CG1 4.42Å; L455-E470 HydrophobicContact CD1-CB 4.01Å; L455-E470 HydrophobicContact CD1-CG 4.24Å; L455-E470 HydrophobicContact CD2-CB 4.28Å; L455-F501 HydrophobicContact CD1-CE2 3.6Å; L455-F501 HydrophobicContact CD1-CZ 3.67Å
456S90.7Very high92.8Very high90 Ų9064.1 Ų64.163%0.62938%0.378SS*.  trans54.465179.1-54.40000112.6Y453 T454Y453-S456 PolarHBondContact O-N 2.96Å; Y453-S456 VanDerWaalsContact O-N 3.16Å; T454-S456 PolarHBondContact O-N 3.15Å
457P92.2Very high92.7Very high33 Ų3360.1 Ų60.121%0.21435%0.352CS..  trans-60.6142.9178.526.4-34.3000111.1F452 Y453 K461 V462F452-P457 HydrophobicContact CD1-CG 4.09Å; F452-P457 HydrophobicContact CE1-CB 3.72Å; F452-P457 HydrophobicContact CE1-CG 3.64Å; F452-P457 HydrophobicContact CZ-CB 3.75Å; F452-P457 HydrophobicContact CZ-CG 4.2Å; Y453-P457 HydrophobicContact CD1-CG 4.01Å; Y453-P457 HydrophobicContact CE1-CG 4.45Å; P457-K461 CarbonylContact C-O 3.59Å; P457-K461 VanDerWaalsContact CA-O 3.29Å; P457-K461 WeakPolarHBondContact CA-O 3.44Å; P457-V462 HydrophobicContact CB-CG1 3.92Å
458V90.2Very high92.6Very high103 Ų10363.7 Ų63.762%0.62436%0.357SS*.BIsolated β-bridgetrans-108.8124.6175.5-179.40000107.5G460 K461V458-G460 PolarHBondContact O-N 3.12Å; V458-K461 PolarHBondContact N-O 3.45Å; V458-K461 PolarHBondContact O-N 3.05Å; V458-K461 VanDerWaalsContact O-N 3.12Å
459N90.1Very high92.5Very high163 Ų16369.6 Ų69.687%0.87238%0.384SS*.THydrogen-bonded Turntrans53.837.4-173.8-58-34.3000113.5K461N459-K461 VanDerWaalsContact C-N 3.27Å; N459-K461 PolarHBondContact O-N 3.32Å
460G91.3Very high92.5Very high41 Ų4169.7 Ų69.742%0.42338%0.383SS..THydrogen-bonded Turntrans7413.3179.800000114.6F452 V458F452-G460 WeakPolarHBondContact CZ-O 3.07Å; V458-G460 PolarHBondContact O-N 3.12Å
461K93.7Very high92.4Very high44 Ų4463 Ų6319%0.19135%0.352CS..BIsolated β-bridgetrans-129144.8176.6-62.5-160.4171.3-151.60112.8P457 V458 N459 D491 D493 M495 L496 D497P457-K461 CarbonylContact C-O 3.59Å; P457-K461 VanDerWaalsContact CA-O 3.29Å; P457-K461 WeakPolarHBondContact CA-O 3.44Å; V458-K461 PolarHBondContact N-O 3.45Å; V458-K461 PolarHBondContact O-N 3.05Å; V458-K461 VanDerWaalsContact O-N 3.12Å; N459-K461 VanDerWaalsContact C-N 3.27Å; N459-K461 PolarHBondContact O-N 3.32Å; K461-D491 IonicContact NZ-OD1 3.08Å; K461-D491 IonicContact NZ-OD2 2.87Å; K461-D491 PolarHBondContact NZ-OD2 2.87Å; K461-D493 WeakPolarHBondContact CD-OD2 3.39Å; K461-D493 WeakPolarHBondContact CE-OD2 3.45Å; K461-D493 VanDerWaalsContact NZ-CG 3.34Å; K461-D493 IonicContact NZ-OD1 2.87Å; K461-D493 IonicContact NZ-OD2 3.69Å; K461-D493 PolarHBondContact NZ-OD2 3.15Å; K461-M495 HydrophobicContact CB-CB 4.07Å; K461-M495 HydrophobicContact CB-SD 4.42Å; K461-M495 HydrophobicContact CD-CB 4.07Å; K461-L496 CarbonylContact C-O 3.56Å; K461-L496 WeakPolarHBondContact CA-O 3.5Å; K461-D497 HydrophobicContact CG-CB 4.17Å
462V94.4Very high92.4Very high2 Ų263.6 Ų63.61%0.01236%0.358CS..EExtended strand (participates in β ladder)trans-99137.3169.5-65.20000110.5F452 L455 P457 A467 M495 L496 F501F452-V462 HydrophobicContact CD2-CG1 3.88Å; F452-V462 HydrophobicContact CD2-CG2 4.25Å; F452-V462 HydrophobicContact CE2-CB 4.29Å; F452-V462 HydrophobicContact CE2-CG1 3.63Å; F452-V462 HydrophobicContact CE2-CG2 3.88Å; F452-V462 HydrophobicContact CZ-CG1 4.2Å; L455-V462 HydrophobicContact CB-CG1 3.88Å; L455-V462 HydrophobicContact CD1-CG1 4.42Å; P457-V462 HydrophobicContact CB-CG1 3.92Å; V462-A467 HydrophobicContact CG2-CB 4.02Å; V462-M495 WeakPolarHBondContact O-CA 3.35Å; V462-M495 WeakPolarHBondContact O-CB 3.44Å; V462-L496 HydrophobicContact CG2-CB 3.96Å; V462-L496 WeakPolarHBondContact CG2-O 3.36Å; V462-L496 PolarHBondContact N-O 3.22Å; V462-L496 PolarHBondContact O-N 3.04Å; V462-F501 HydrophobicContact CG2-CD2 4.16Å
463T94.1Very high92.3Very high62 Ų6270.1 Ų70.138%0.3839%0.386SS..EExtended strand (participates in β ladder)trans-67.9149.9176.864.90000111.1A465 N466 A467T463-A465 PolarHBondContact O-N 3.35Å; T463-A465 VanDerWaalsContact O-N 3.09Å; T463-N466 PolarHBondContact O-N 2.74Å; T463-N466 PolarHBondContact OG1-N 3.47Å; T463-A467 PolarHBondContact O-N 3.18Å
464G90.5Very high92.2Very high20 Ų2064.6 Ų64.621%0.20637%0.368CS..Hα-helixtrans-57.1-26.9176.200000114.7K468 G494G464-K468 WeakPolarHBondContact O-CB 3.15Å; G464-K468 PolarHBondContact O-N 3.26Å; G464-G494 PolarHBondContact N-O 2.91Å
465A90.9Very high92.2Very high63 Ų6368.8 Ų68.852%0.52138%0.378SS..Hα-helixtrans-66.7-40.5173.200000112.8T463 K469T463-A465 PolarHBondContact O-N 3.35Å; T463-A465 VanDerWaalsContact O-N 3.09Å; A465-K469 WeakPolarHBondContact O-CG 3.36Å; A465-K469 PolarHBondContact O-N 3.26Å
466N92.1Very high92.1Very high55 Ų5568.9 Ų68.929%0.29438%0.378SS..Hα-helixtrans-76.4-44.7179.1-75.2-5.8000111.4T463 K468 K469 E470T463-N466 PolarHBondContact O-N 2.74Å; T463-N466 PolarHBondContact OG1-N 3.47Å; N466-K468 VanDerWaalsContact C-N 3.33Å; N466-K468 PolarHBondContact O-N 3.1Å; N466-K469 WeakPolarHBondContact O-CB 3.42Å; N466-K469 PolarHBondContact O-N 3.14Å; N466-K469 VanDerWaalsContact O-N 3.16Å; N466-E470 PolarHBondContact O-N 2.51Å
467A92.2Very high92.1Very high0 Ų068.1 Ų68.10%037%0.371CS..Hα-helixtrans-59.4-43.5174.900000111.7V462 T463 K469 E470 M471 W485 L496V462-A467 HydrophobicContact CG2-CB 4.02Å; T463-A467 PolarHBondContact O-N 3.18Å; A467-K469 VanDerWaalsContact C-N 3.32Å; A467-K469 PolarHBondContact O-N 3.02Å; A467-E470 WeakPolarHBondContact O-CB 3.41Å; A467-E470 PolarHBondContact O-N 3.34Å; A467-E470 VanDerWaalsContact O-N 3.09Å; A467-M471 VanDerWaalsContact O-CG 3.25Å; A467-M471 WeakPolarHBondContact O-CG 3.4Å; A467-M471 PolarHBondContact O-N 2.93Å; A467-W485 HydrophobicContact CB-CH2 4.42Å; A467-W485 HydrophobicContact CB-CZ3 3.67Å; A467-L496 HydrophobicContact CB-CD1 3.92Å
468K92Very high91.8Very high130 Ų13072 Ų7257%0.56539%0.39SS*.Hα-helixtrans-58.1-41.6174.9-179178.7-179178.90112.7G464 N466 E470 M471 V472G464-K468 WeakPolarHBondContact O-CB 3.15Å; G464-K468 PolarHBondContact O-N 3.26Å; N466-K468 VanDerWaalsContact C-N 3.33Å; N466-K468 PolarHBondContact O-N 3.1Å; K468-E470 VanDerWaalsContact C-N 3.25Å; K468-E470 PolarHBondContact O-N 2.8Å; K468-M471 PolarHBondContact O-N 3.34Å; K468-V472 HydrophobicContact CG-CG2 4.34Å; K468-V472 VanDerWaalsContact O-CG2 3.24Å; K468-V472 WeakPolarHBondContact O-CG2 3.41Å; K468-V472 PolarHBondContact O-N 3.49Å; K468-V472 VanDerWaalsContact O-N 3.08Å
469K92.8Very high91.7Very high148 Ų14872.7 Ų72.764%0.64340%0.395SS*.Hα-helixtrans-60.8-37.9177.3-75.9172.4-176.5172.90111.5A465 N466 A467A465-K469 WeakPolarHBondContact O-CG 3.36Å; A465-K469 PolarHBondContact O-N 3.26Å; N466-K469 WeakPolarHBondContact O-CB 3.42Å; N466-K469 PolarHBondContact O-N 3.14Å; N466-K469 VanDerWaalsContact O-N 3.16Å; A467-K469 VanDerWaalsContact C-N 3.32Å; A467-K469 PolarHBondContact O-N 3.02Å
470E93.6Very high91.6Very high33 Ų3366.2 Ų66.215%0.15436%0.361CS..Hα-helixtrans-71.1-51.6176.3-164.958.3-143.900111.6I451 L455 N466 A467 K468 V472 K473 F501I451-E470 HydrophobicContact CG2-CG 3.88Å; L455-E470 HydrophobicContact CD1-CB 4.01Å; L455-E470 HydrophobicContact CD1-CG 4.24Å; L455-E470 HydrophobicContact CD2-CB 4.28Å; N466-E470 PolarHBondContact O-N 2.51Å; A467-E470 WeakPolarHBondContact O-CB 3.41Å; A467-E470 PolarHBondContact O-N 3.34Å; A467-E470 VanDerWaalsContact O-N 3.09Å; K468-E470 VanDerWaalsContact C-N 3.25Å; K468-E470 PolarHBondContact O-N 2.8Å; E470-V472 VanDerWaalsContact C-N 3.25Å; E470-V472 PolarHBondContact O-N 2.9Å; E470-V472 VanDerWaalsContact O-N 3.17Å; E470-K473 VanDerWaalsContact CD-NZ 3.25Å; E470-K473 VanDerWaalsContact O-CB 3.24Å; E470-K473 WeakPolarHBondContact O-CB 3.5Å; E470-K473 WeakPolarHBondContact O-CG 3.19Å; E470-K473 PolarHBondContact O-N 3.49Å; E470-K473 WeakPolarHBondContact OE1-CD 3.28Å; E470-K473 IonicContact OE1-NZ 2.63Å; E470-K473 PolarHBondContact OE1-NZ 2.75Å; E470-K473 VanDerWaalsContact OE1-NZ 3.08Å; E470-K473 VanDerWaalsContact OE2-CE 3.29Å; E470-K473 WeakPolarHBondContact OE2-CE 3.4Å; E470-K473 IonicContact OE2-NZ 2.8Å; E470-K473 PolarHBondContact OE2-NZ 2.95Å; E470-F501 HydrophobicContact CG-CZ 4.12Å
471M92.4Very high91.7Very high8 Ų864.9 Ų64.94%0.03934%0.344CS..Hα-helixtrans-57.3-35.5-177.5-68.117478.200113A467 K468 K473 S474 L481 I484 W485 I508A467-M471 VanDerWaalsContact O-CG 3.25Å; A467-M471 WeakPolarHBondContact O-CG 3.4Å; A467-M471 PolarHBondContact O-N 2.93Å; K468-M471 PolarHBondContact O-N 3.34Å; M471-K473 PolarHBondContact O-N 2.96Å; M471-S474 WeakPolarHBondContact O-CB 3.29Å; M471-S474 PolarHBondContact O-N 2.87Å; M471-S474 PolarHBondContact O-OG 3.46Å; M471-L481 HydrophobicContact CB-CD2 4.19Å; M471-L481 HydrophobicContact CE-CD2 4.39Å; M471-I484 HydrophobicContact CE-CB 4.04Å; M471-I484 HydrophobicContact CE-CG2 3.69Å; M471-W485 HydrophobicContact SD-CE3 4.1Å; M471-I508 HydrophobicContact CB-CD1 4.12Å; M471-I508 HydrophobicContact CE-CD1 4.29Å; M471-I508 HydrophobicContact CG-CD1 3.97Å
472V94Very high91.6Very high67 Ų6764.8 Ų64.841%0.40636%0.355SS..G310 helixtrans-63.8-23.2177.9168.40000112.7K468 E470 S474 K475 L481K468-V472 HydrophobicContact CG-CG2 4.34Å; K468-V472 VanDerWaalsContact O-CG2 3.24Å; K468-V472 WeakPolarHBondContact O-CG2 3.41Å; K468-V472 PolarHBondContact O-N 3.49Å; K468-V472 VanDerWaalsContact O-N 3.08Å; E470-V472 VanDerWaalsContact C-N 3.25Å; E470-V472 PolarHBondContact O-N 2.9Å; E470-V472 VanDerWaalsContact O-N 3.17Å; V472-S474 PolarHBondContact O-N 3.46Å; V472-K475 PolarHBondContact O-N 3.32Å; V472-L481 HydrophobicContact CB-CD1 4.46Å; V472-L481 HydrophobicContact CG2-CD1 3.88Å
473K93.2Very high91.5Very high138 Ų13868.6 Ų68.660%0.637%0.372SS*.G310 helixtrans-64.1-22.1176.5-62.5177.8-175.2168.50113.1E470 M471 K475E470-K473 VanDerWaalsContact CD-NZ 3.25Å; E470-K473 VanDerWaalsContact O-CB 3.24Å; E470-K473 WeakPolarHBondContact O-CB 3.5Å; E470-K473 WeakPolarHBondContact O-CG 3.19Å; E470-K473 PolarHBondContact O-N 3.49Å; E470-K473 WeakPolarHBondContact OE1-CD 3.28Å; E470-K473 IonicContact OE1-NZ 2.63Å; E470-K473 PolarHBondContact OE1-NZ 2.75Å; E470-K473 VanDerWaalsContact OE1-NZ 3.08Å; E470-K473 VanDerWaalsContact OE2-CE 3.29Å; E470-K473 WeakPolarHBondContact OE2-CE 3.4Å; E470-K473 IonicContact OE2-NZ 2.8Å; E470-K473 PolarHBondContact OE2-NZ 2.95Å; M471-K473 PolarHBondContact O-N 2.96Å; K473-K475 PolarHBondContact O-N 2.95Å
474S91.8Very high91.5Very high26 Ų2665.7 Ų65.718%0.18235%0.354CS..G310 helixtrans-63.5-14.7173.2680000113.9M471 V472 L476M471-S474 WeakPolarHBondContact O-CB 3.29Å; M471-S474 PolarHBondContact O-N 2.87Å; M471-S474 PolarHBondContact O-OG 3.46Å; V472-S474 PolarHBondContact O-N 3.46Å; S474-L476 PolarHBondContact O-N 3.47Å; S474-L476 PolarHBondContact OG-N 3.29Å
475K92.4Very high91.8Very high193 Ų19367.5 Ų67.584%0.83935%0.354SS*.  trans61.716.6-175.6-54.6178.9-179.3175.10114.5V472 K473V472-K475 PolarHBondContact O-N 3.32Å; K473-K475 PolarHBondContact O-N 2.95Å
476L89.8Confident91.9Very high27 Ų2772.8 Ų72.814%0.14137%0.366CS..  trans-71.8151171.3-67.6175.4000111.3S474 V480 L481 I484 I508 K511 L512S474-L476 PolarHBondContact O-N 3.47Å; S474-L476 PolarHBondContact OG-N 3.29Å; L476-V480 HydrophobicContact CB-CG1 4.41Å; L476-V480 HydrophobicContact CD1-CG1 4.26Å; L476-L481 HydrophobicContact CB-CD2 3.88Å; L476-L481 HydrophobicContact CB-CG 4.07Å; L476-L481 HydrophobicContact CD1-CD2 4.19Å; L476-I484 HydrophobicContact CD1-CD1 4.19Å; L476-I508 HydrophobicContact CD1-CB 4.43Å; L476-I508 HydrophobicContact CD1-CG1 4.31Å; L476-I508 HydrophobicContact CD1-CG2 4.06Å; L476-K511 HydrophobicContact CD1-CB 4.08Å; L476-K511 HydrophobicContact CD1-CG 4.1Å; L476-K511 HydrophobicContact CD2-CG 3.99Å; L476-L512 HydrophobicContact CD2-CD2 3.9Å; L476-L512 HydrophobicContact CD2-CG 4.48Å; L476-L512 HydrophobicContact CG-CD2 4.19Å
477P90.9Very high92Very high75 Ų7571 Ų7149%0.48736%0.356SS..  trans-57.5143.5175.1-24.233.6000112.5T479 V480 L481P477-T479 PolarHBondContact O-N 3.43Å; P477-T479 VanDerWaalsContact O-N 3.1Å; P477-V480 HydrophobicContact CB-CG2 4.16Å; P477-V480 HydrophobicContact CG-CG2 4.21Å; P477-V480 WeakPolarHBondContact O-CA 3.46Å; P477-V480 WeakPolarHBondContact O-CB 3.19Å; P477-V480 PolarHBondContact O-N 3.32Å; P477-L481 PolarHBondContact O-N 3.03Å
478N86.4Confident92.1Very high113 Ų11371 Ų7160%0.60436%0.356SS*.Hα-helixtrans-56.4-30.8179.4-79.9-32.6000113.5V480 G482N478-V480 VanDerWaalsContact C-N 3.34Å; N478-G482 PolarHBondContact O-N 3.37Å
479T88.1Confident92.3Very high119 Ų11965.5 Ų65.573%0.7333%0.333SS*.Hα-helixtrans-64.7-38.9175.250.40000112P477 K483P477-T479 PolarHBondContact O-N 3.43Å; P477-T479 VanDerWaalsContact O-N 3.1Å; T479-K483 PolarHBondContact O-N 3.09Å
480V87.9Confident92.3Very high27 Ų2760.9 Ų60.916%0.16432%0.315CS..Hα-helixtrans-71.1-47176.6175.70000110.3L476 P477 N478 G482 K483 I484 K511 L517L476-V480 HydrophobicContact CB-CG1 4.41Å; L476-V480 HydrophobicContact CD1-CG1 4.26Å; P477-V480 HydrophobicContact CB-CG2 4.16Å; P477-V480 HydrophobicContact CG-CG2 4.21Å; P477-V480 WeakPolarHBondContact O-CA 3.46Å; P477-V480 WeakPolarHBondContact O-CB 3.19Å; P477-V480 PolarHBondContact O-N 3.32Å; N478-V480 VanDerWaalsContact C-N 3.34Å; V480-G482 VanDerWaalsContact C-N 3.27Å; V480-G482 PolarHBondContact O-N 3.25Å; V480-K483 WeakPolarHBondContact O-CA 3.48Å; V480-K483 WeakPolarHBondContact O-CB 3.43Å; V480-K483 PolarHBondContact O-N 2.77Å; V480-I484 HydrophobicContact CG1-CD1 4.21Å; V480-I484 WeakPolarHBondContact O-CG1 3.48Å; V480-I484 PolarHBondContact O-N 2.93Å; V480-K511 HydrophobicContact CG1-CD 4.5Å; V480-K511 HydrophobicContact CG1-CG 3.77Å; V480-L517 HydrophobicContact CG1-CD1 3.8Å
481L92.2Very high92.1Very high13 Ų1362.6 Ų62.67%0.06833%0.325CS..Hα-helixtrans-60.7-37177-65.3179.7000112.3M471 V472 L476 P477 K483 I484 W485 I508M471-L481 HydrophobicContact CB-CD2 4.19Å; M471-L481 HydrophobicContact CE-CD2 4.39Å; V472-L481 HydrophobicContact CB-CD1 4.46Å; V472-L481 HydrophobicContact CG2-CD1 3.88Å; L476-L481 HydrophobicContact CB-CD2 3.88Å; L476-L481 HydrophobicContact CB-CG 4.07Å; L476-L481 HydrophobicContact CD1-CD2 4.19Å; P477-L481 PolarHBondContact O-N 3.03Å; L481-K483 VanDerWaalsContact C-N 3.34Å; L481-I484 HydrophobicContact CD2-CD1 4.46Å; L481-I484 PolarHBondContact O-N 2.88Å; L481-W485 WeakPolarHBondContact O-CB 3.49Å; L481-W485 PolarHBondContact O-N 3.12Å; L481-I508 HydrophobicContact CD2-CD1 4.33Å; L481-I508 HydrophobicContact CD2-CG1 4.36Å
482G91Very high92.1Very high41 Ų4170.6 Ų70.642%0.42336%0.359SS..Hα-helixtrans-64.5-36.3173.200000113.1N478 V480 K486N478-G482 PolarHBondContact O-N 3.37Å; V480-G482 VanDerWaalsContact C-N 3.27Å; V480-G482 PolarHBondContact O-N 3.25Å; G482-K486 PolarHBondContact O-N 3.18Å; G482-K486 VanDerWaalsContact O-N 3.17Å
483K92.6Very high91.9Very high83 Ų8370.7 Ų70.736%0.36136%0.358SS..Hα-helixtrans-66.6-44173.1-172.4177.9179.4-174.20111.3T479 V480 L481 K486 L487 L517 P518T479-K483 PolarHBondContact O-N 3.09Å; V480-K483 WeakPolarHBondContact O-CA 3.48Å; V480-K483 WeakPolarHBondContact O-CB 3.43Å; V480-K483 PolarHBondContact O-N 2.77Å; L481-K483 VanDerWaalsContact C-N 3.34Å; K483-K486 PolarHBondContact O-N 2.93Å; K483-L487 HydrophobicContact CG-CD1 4.31Å; K483-L487 WeakPolarHBondContact O-CG 3.34Å; K483-L487 PolarHBondContact O-N 2.9Å; K483-L487 VanDerWaalsContact O-N 3.14Å; K483-L517 HydrophobicContact CB-CD1 4.47Å; K483-L517 HydrophobicContact CD-CB 4.09Å; K483-L517 HydrophobicContact CD-CD1 4.25Å; K483-L517 HydrophobicContact CG-CD1 4.45Å; K483-L517 PolarHBondContact NZ-O 2.73Å; K483-P518 WeakPolarHBondContact CE-O 3.4Å; K483-P518 PolarHBondContact NZ-O 2.74Å
484I95.4Very high91.9Very high0 Ų065.8 Ų65.80%035%0.346CS..Hα-helixtrans-60.7-46.7176.6-65.4174.3000110.8M471 L476 V480 L481 K486 L487 A488 A504 L507 I508 L517M471-I484 HydrophobicContact CE-CB 4.04Å; M471-I484 HydrophobicContact CE-CG2 3.69Å; L476-I484 HydrophobicContact CD1-CD1 4.19Å; V480-I484 HydrophobicContact CG1-CD1 4.21Å; V480-I484 WeakPolarHBondContact O-CG1 3.48Å; V480-I484 PolarHBondContact O-N 2.93Å; L481-I484 HydrophobicContact CD2-CD1 4.46Å; L481-I484 PolarHBondContact O-N 2.88Å; I484-K486 VanDerWaalsContact C-N 3.32Å; I484-K486 PolarHBondContact O-N 3.02Å; I484-L487 PolarHBondContact O-N 3.25Å; I484-L487 VanDerWaalsContact O-N 3.1Å; I484-A488 WeakPolarHBondContact O-CB 3.45Å; I484-A488 PolarHBondContact O-N 3.41Å; I484-A504 HydrophobicContact CG2-CB 4.24Å; I484-L507 HydrophobicContact CD1-CB 4.48Å; I484-L507 HydrophobicContact CG1-CB 4.22Å; I484-L507 HydrophobicContact CG2-CB 3.88Å; I484-L507 HydrophobicContact CG2-CD1 4.27Å; I484-I508 HydrophobicContact CD1-CB 4.45Å; I484-I508 HydrophobicContact CD1-CG1 3.63Å; I484-I508 HydrophobicContact CG2-CG1 4.39Å; I484-L517 HydrophobicContact CD1-CD1 4Å; I484-L517 HydrophobicContact CD1-CD2 4.44Å; I484-L517 HydrophobicContact CG1-CD1 3.45Å; I484-L517 VanDerWaalsContact CG1-CD1 3.45Å; I484-L517 HydrophobicContact CG1-CD2 4.08Å; I484-L517 HydrophobicContact CG1-CG 4.43Å
485W95.4Very high92.1Very high58 Ų5868.4 Ų68.422%0.2236%0.357CS..Hα-helixtrans-52.7-50.7175.6177.9-81.5000111.5A467 M471 L481 L487 A488 D489 L496A467-W485 HydrophobicContact CB-CH2 4.42Å; A467-W485 HydrophobicContact CB-CZ3 3.67Å; M471-W485 HydrophobicContact SD-CE3 4.1Å; L481-W485 WeakPolarHBondContact O-CB 3.49Å; L481-W485 PolarHBondContact O-N 3.12Å; W485-L487 PolarHBondContact O-N 3.04Å; W485-A488 PolarHBondContact O-N 2.91Å; W485-A488 VanDerWaalsContact O-N 3.15Å; W485-D489 PolarHBondContact NE1-OD2 2.63Å; W485-D489 WeakPolarHBondContact O-CB 3.33Å; W485-D489 PolarHBondContact O-N 3.17Å; W485-L496 HydrophobicContact CE3-CD1 4.14Å; W485-L496 HydrophobicContact CH2-CD1 4.18Å; W485-L496 HydrophobicContact CH2-CD2 4.23Å; W485-L496 HydrophobicContact CH2-CG 3.81Å; W485-L496 HydrophobicContact CZ3-CD1 3.59Å; W485-L496 HydrophobicContact CZ3-CD2 4.28Å; W485-L496 HydrophobicContact CZ3-CG 3.76Å
486K94.3Very high92.2Very high174 Ų17459.2 Ų59.276%0.75732%0.317SS*.Hα-helixtrans-62.7-29.5-178.9-175.5179.5176.2-170.90113.2G482 K483 I484G482-K486 PolarHBondContact O-N 3.18Å; G482-K486 VanDerWaalsContact O-N 3.17Å; K483-K486 PolarHBondContact O-N 2.93Å; I484-K486 VanDerWaalsContact C-N 3.32Å; I484-K486 PolarHBondContact O-N 3.02Å
487L92.7Very high92.5Very high17 Ų1758.8 Ų58.89%0.08931%0.314CS..Hα-helixtrans-80.3-32.5176.7-70.2169.5000112.1K483 I484 W485 L507 P518 L521K483-L487 HydrophobicContact CG-CD1 4.31Å; K483-L487 WeakPolarHBondContact O-CG 3.34Å; K483-L487 PolarHBondContact O-N 2.9Å; K483-L487 VanDerWaalsContact O-N 3.14Å; I484-L487 PolarHBondContact O-N 3.25Å; I484-L487 VanDerWaalsContact O-N 3.1Å; W485-L487 PolarHBondContact O-N 3.04Å; L487-L507 HydrophobicContact CB-CD1 3.79Å; L487-L507 HydrophobicContact CD1-CD1 4.21Å; L487-P518 HydrophobicContact CD1-CG 4.21Å; L487-L521 HydrophobicContact CD2-CB 4.22Å
488A95.4Very high92.8Very high0 Ų057.5 Ų57.50%030%0.304CS..Hα-helixtrans-86.7-33.7-17600000114.1I484 W485 I490 L496 E500 L503 A504I484-A488 WeakPolarHBondContact O-CB 3.45Å; I484-A488 PolarHBondContact O-N 3.41Å; W485-A488 PolarHBondContact O-N 2.91Å; W485-A488 VanDerWaalsContact O-N 3.15Å; A488-I490 VanDerWaalsContact C-N 3.35Å; A488-I490 PolarHBondContact O-N 3.27Å; A488-L496 HydrophobicContact CB-CD2 4.38Å; A488-E500 WeakPolarHBondContact O-CB 3.42Å; A488-E500 VanDerWaalsContact O-CG 3.29Å; A488-E500 WeakPolarHBondContact O-CG 3.32Å; A488-L503 HydrophobicContact CB-CG 4.46Å; A488-A504 HydrophobicContact CB-CB 3.74Å
489D95.3Very high93.2Very high15 Ų1553.6 Ų53.68%0.0828%0.282CS..  trans-77.880.3176.7-177.95.5000110W485 K492 D493 G494 L496W485-D489 PolarHBondContact NE1-OD2 2.63Å; W485-D489 WeakPolarHBondContact O-CB 3.33Å; W485-D489 PolarHBondContact O-N 3.17Å; D489-K492 WeakPolarHBondContact OD1-CA 3.08Å; D489-K492 PolarHBondContact OD1-N 3.3Å; D489-D493 PolarHBondContact OD1-N 3.36Å; D489-G494 PolarHBondContact OD2-N 2.82Å; D489-L496 HydrophobicContact CB-CD2 4.01Å
490I92.4Very high93.6Very high52 Ų5247.9 Ų47.927%0.26725%0.247SC..SBendtrans-76.6-42.3-168.5-68.9172.8000111.3A488 K492 E500 L503 L521 V526 P527 K530A488-I490 VanDerWaalsContact C-N 3.35Å; A488-I490 PolarHBondContact O-N 3.27Å; I490-K492 VanDerWaalsContact C-N 3.27Å; I490-E500 PolarHBondContact N-OE1 3.26Å; I490-L503 HydrophobicContact CD1-CD2 4Å; I490-L521 HydrophobicContact CD1-CD2 3.8Å; I490-L521 HydrophobicContact CG1-CD2 4.2Å; I490-V526 HydrophobicContact CD1-CG1 4.41Å; I490-P527 HydrophobicContact CD1-CG 3.74Å; I490-K530 HydrophobicContact CG2-CB 4.1Å; I490-K530 HydrophobicContact CG2-CG 4.49Å
491D90.3Very high94Very high69 Ų6946.6 Ų46.637%0.36924%0.239SC..SBendtrans-80.8-8.2177.367.322.4000113.4K461 D493 E500 K530K461-D491 IonicContact NZ-OD1 3.08Å; K461-D491 IonicContact NZ-OD2 2.87Å; K461-D491 PolarHBondContact NZ-OD2 2.87Å; D491-D493 VanDerWaalsContact C-N 3.27Å; D491-D493 PolarHBondContact O-N 2.87Å; D491-D493 WeakPolarHBondContact OD1-CB 3.47Å; D491-D493 VanDerWaalsContact OD1-CG 3.25Å; D491-D493 PolarHBondContact OD1-N 3.31Å; D491-E500 PolarHBondContact N-OE1 3Å; D491-K530 IonicContact OD2-NZ 3.74Å; D491-K530 PolarHBondContact OD2-NZ 3.38Å
492K91.8Very high94.2Very high175 Ų17546 Ų4676%0.76124%0.236SC*.  trans61.932.1173.8-57.5179.7-177.6173.40113D489 I490 G494D489-K492 WeakPolarHBondContact OD1-CA 3.08Å; D489-K492 PolarHBondContact OD1-N 3.3Å; I490-K492 VanDerWaalsContact C-N 3.27Å; K492-G494 VanDerWaalsContact C-N 3.33Å
493D91.4Very high94.5Very high70 Ų7044 Ų4437%0.37422%0.216SC..SBendtrans-87.6-3.9179.484.7-11.1000113.5K461 D489 D491 M495K461-D493 WeakPolarHBondContact CD-OD2 3.39Å; K461-D493 WeakPolarHBondContact CE-OD2 3.45Å; K461-D493 VanDerWaalsContact NZ-CG 3.34Å; K461-D493 IonicContact NZ-OD1 2.87Å; K461-D493 IonicContact NZ-OD2 3.69Å; K461-D493 PolarHBondContact NZ-OD2 3.15Å; D489-D493 PolarHBondContact OD1-N 3.36Å; D491-D493 VanDerWaalsContact C-N 3.27Å; D491-D493 PolarHBondContact O-N 2.87Å; D491-D493 WeakPolarHBondContact OD1-CB 3.47Å; D491-D493 VanDerWaalsContact OD1-CG 3.25Å; D491-D493 PolarHBondContact OD1-N 3.31Å; D493-M495 VanDerWaalsContact C-N 3.28Å; D493-M495 WeakPolarHBondContact OD1-CA 3.49Å; D493-M495 WeakPolarHBondContact OD1-CB 3.39Å; D493-M495 PolarHBondContact OD1-N 3.17Å
494G92.3Very high94.7Very high35 Ų3540.1 Ų40.136%0.36120%0.199SC..SBendtrans79.210.6178.500000114G464 D489 K492G464-G494 PolarHBondContact N-O 2.91Å; D489-G494 PolarHBondContact OD2-N 2.82Å; K492-G494 VanDerWaalsContact C-N 3.33Å
495M95.3Very high94.7Very high80 Ų8041.2 Ų41.239%0.39420%0.204SC..EExtended strand (participates in β ladder)trans-124.2170.5172.4-51.5-166.9-146.400108.8K461 V462 D493K461-M495 HydrophobicContact CB-CB 4.07Å; K461-M495 HydrophobicContact CB-SD 4.42Å; K461-M495 HydrophobicContact CD-CB 4.07Å; V462-M495 WeakPolarHBondContact O-CA 3.35Å; V462-M495 WeakPolarHBondContact O-CB 3.44Å; D493-M495 VanDerWaalsContact C-N 3.28Å; D493-M495 WeakPolarHBondContact OD1-CA 3.49Å; D493-M495 WeakPolarHBondContact OD1-CB 3.39Å; D493-M495 PolarHBondContact OD1-N 3.17Å
496L96.1Very high94.7Very high0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-125.2128.1172.5-58.1174.3000108.5K461 V462 A467 W485 A488 D489 E500 F501 A504K461-L496 CarbonylContact C-O 3.56Å; K461-L496 WeakPolarHBondContact CA-O 3.5Å; V462-L496 HydrophobicContact CG2-CB 3.96Å; V462-L496 WeakPolarHBondContact CG2-O 3.36Å; V462-L496 PolarHBondContact N-O 3.22Å; V462-L496 PolarHBondContact O-N 3.04Å; A467-L496 HydrophobicContact CB-CD1 3.92Å; W485-L496 HydrophobicContact CE3-CD1 4.14Å; W485-L496 HydrophobicContact CH2-CD1 4.18Å; W485-L496 HydrophobicContact CH2-CD2 4.23Å; W485-L496 HydrophobicContact CH2-CG 3.81Å; W485-L496 HydrophobicContact CZ3-CD1 3.59Å; W485-L496 HydrophobicContact CZ3-CD2 4.28Å; W485-L496 HydrophobicContact CZ3-CG 3.76Å; A488-L496 HydrophobicContact CB-CD2 4.38Å; D489-L496 HydrophobicContact CB-CD2 4.01Å; L496-E500 HydrophobicContact CB-CB 4.06Å; L496-E500 HydrophobicContact CD2-CB 3.85Å; L496-F501 HydrophobicContact CB-CB 4.32Å; L496-F501 HydrophobicContact CD1-CD2 4.33Å; L496-A504 HydrophobicContact CD1-CB 4.37Å
497D96.2Very high94.7Very high18 Ų1830.2 Ų30.210%0.09616%0.158CC..  trans-75-177.7162.462.739.3000111.6F452 K461 E499 E500 F501 K530F452-D497 WeakPolarHBondContact CE2-O 3.47Å; K461-D497 HydrophobicContact CG-CB 4.17Å; D497-E499 VanDerWaalsContact C-N 3.35Å; D497-E499 PolarHBondContact O-N 3.34Å; D497-E499 PolarHBondContact OD1-N 2.93Å; D497-E499 VanDerWaalsContact OD1-N 3.17Å; D497-E500 PolarHBondContact N-OE2 3.49Å; D497-E500 VanDerWaalsContact N-OE2 3.08Å; D497-E500 PolarHBondContact O-N 3.1Å; D497-E500 WeakPolarHBondContact OD1-CB 3.21Å; D497-E500 VanDerWaalsContact OD1-CG 3.28Å; D497-E500 WeakPolarHBondContact OD1-CG 3.29Å; D497-E500 PolarHBondContact OD1-N 3.17Å; D497-F501 WeakPolarHBondContact O-CB 3.32Å; D497-F501 PolarHBondContact O-N 3.08Å; D497-K530 WeakPolarHBondContact OD2-CE 3.29Å; D497-K530 IonicContact OD2-NZ 3.26Å; D497-K530 PolarHBondContact OD2-NZ 2.97Å
498D95.5Very high94.8Very high49 Ų4929.9 Ų29.926%0.26216%0.157SC..Hα-helixtrans-66.1-35.5-175.963.9-55.1000112.6K445 F452 A502K445-D498 IonicContact NZ-OD2 3.52Å; K445-D498 PolarHBondContact NZ-OD2 3.23Å; F452-D498 HydrophobicContact CD1-CB 4.01Å; F452-D498 HydrophobicContact CE1-CB 3.82Å; F452-D498 HydrophobicContact CE2-CB 4.46Å; F452-D498 HydrophobicContact CG-CB 4.43Å; F452-D498 HydrophobicContact CZ-CB 4.06Å; D498-A502 VanDerWaalsContact O-CB 3.32Å; D498-A502 WeakPolarHBondContact O-CB 3.49Å; D498-A502 PolarHBondContact O-N 2.9Å
499E96.1Very high94.6Very high30 Ų3032.8 Ų32.814%0.1417%0.169CC..Hα-helixtrans-73.9-41.3176.4-63.1-168.7139.800112.1W439 D497 F501 A502 L503 P527 S529W439-E499 HydrophobicContact CH2-CB 3.94Å; W439-E499 HydrophobicContact CH2-CG 4.46Å; W439-E499 WeakPolarHBondContact CH2-O 3.32Å; W439-E499 HydrophobicContact CZ3-CB 4.25Å; W439-E499 HydrophobicContact CZ3-CG 4.26Å; D497-E499 VanDerWaalsContact C-N 3.35Å; D497-E499 PolarHBondContact O-N 3.34Å; D497-E499 PolarHBondContact OD1-N 2.93Å; D497-E499 VanDerWaalsContact OD1-N 3.17Å; E499-F501 VanDerWaalsContact C-N 3.32Å; E499-F501 PolarHBondContact O-N 3.03Å; E499-A502 PolarHBondContact O-N 2.91Å; E499-L503 WeakPolarHBondContact O-CB 3.05Å; E499-L503 PolarHBondContact O-N 3.06Å; E499-P527 HydrophobicContact CB-CB 3.77Å; E499-P527 HydrophobicContact CB-CG 4.11Å; E499-P527 HydrophobicContact CG-CB 4.42Å; E499-P527 VanDerWaalsContact OE2-CB 3.24Å; E499-P527 WeakPolarHBondContact OE2-CB 3.37Å; E499-S529 WeakPolarHBondContact OE2-CB 3.24Å; E499-S529 PolarHBondContact OE2-N 3.29Å; E499-S529 PolarHBondContact OE2-OG 3.46Å
500E96.6Very high94.3Very high0 Ų032 Ų320%017%0.165CC..Hα-helixtrans-65.6-36.8175.8-69172.7154.500111.5A488 I490 D491 L496 D497 L503 A504 K530A488-E500 WeakPolarHBondContact O-CB 3.42Å; A488-E500 VanDerWaalsContact O-CG 3.29Å; A488-E500 WeakPolarHBondContact O-CG 3.32Å; I490-E500 PolarHBondContact N-OE1 3.26Å; D491-E500 PolarHBondContact N-OE1 3Å; L496-E500 HydrophobicContact CB-CB 4.06Å; L496-E500 HydrophobicContact CD2-CB 3.85Å; D497-E500 PolarHBondContact N-OE2 3.49Å; D497-E500 VanDerWaalsContact N-OE2 3.08Å; D497-E500 PolarHBondContact O-N 3.1Å; D497-E500 WeakPolarHBondContact OD1-CB 3.21Å; D497-E500 VanDerWaalsContact OD1-CG 3.28Å; D497-E500 WeakPolarHBondContact OD1-CG 3.29Å; D497-E500 PolarHBondContact OD1-N 3.17Å; E500-L503 PolarHBondContact O-N 3.28Å; E500-A504 WeakPolarHBondContact O-CB 3.49Å; E500-A504 PolarHBondContact O-N 2.82Å; E500-K530 VanDerWaalsContact CD-NZ 3.32Å; E500-K530 IonicContact OE1-NZ 3.56Å; E500-K530 PolarHBondContact OE1-NZ 3.31Å; E500-K530 IonicContact OE2-NZ 3.52Å
501F96.4Very high94.1Very high0 Ų032.4 Ų32.40%017%0.165CC..Hα-helixtrans-68.5-41.1173.7-173.8-97.7000112.3I451 F452 L455 V462 E470 L496 D497 E499 L503 A504 N505I451-F501 HydrophobicContact CB-CE1 4.13Å; I451-F501 HydrophobicContact CB-CZ 4.5Å; I451-F501 HydrophobicContact CG2-CE1 3.99Å; I451-F501 HydrophobicContact CG2-CZ 3.85Å; F452-F501 HydrophobicContact CB-CD1 3.67Å; F452-F501 HydrophobicContact CB-CE1 3.92Å; F452-F501 HydrophobicContact CB-CG 4.36Å; F452-F501 HydrophobicContact CD2-CB 3.58Å; F452-F501 AromaticContact CD2-CD1 3.81Å; F452-F501 HydrophobicContact CD2-CD1 3.81Å; F452-F501 HydrophobicContact CD2-CD2 4.22Å; F452-F501 AromaticContact CD2-CG 3.61Å; F452-F501 HydrophobicContact CD2-CG 3.61Å; F452-F501 HydrophobicContact CE2-CB 4.01Å; F452-F501 HydrophobicContact CE2-CG 4.43Å; F452-F501 HydrophobicContact CG-CD1 4.22Å; F452-F501 HydrophobicContact CG-CG 4.46Å; L455-F501 HydrophobicContact CD1-CE2 3.6Å; L455-F501 HydrophobicContact CD1-CZ 3.67Å; V462-F501 HydrophobicContact CG2-CD2 4.16Å; E470-F501 HydrophobicContact CG-CZ 4.12Å; L496-F501 HydrophobicContact CB-CB 4.32Å; L496-F501 HydrophobicContact CD1-CD2 4.33Å; D497-F501 WeakPolarHBondContact O-CB 3.32Å; D497-F501 PolarHBondContact O-N 3.08Å; E499-F501 VanDerWaalsContact C-N 3.32Å; E499-F501 PolarHBondContact O-N 3.03Å; F501-L503 VanDerWaalsContact C-N 3.33Å; F501-A504 PolarHBondContact O-N 3.28Å; F501-N505 VanDerWaalsContact CD1-ND2 3.29Å; F501-N505 WeakPolarHBondContact CD1-ND2 3.45Å; F501-N505 WeakPolarHBondContact CE1-ND2 3.44Å; F501-N505 VanDerWaalsContact CZ-ND2 3.34Å; F501-N505 WeakPolarHBondContact CZ-ND2 3.36Å; F501-N505 PolarHBondContact O-N 2.99Å; F501-N505 PolarHBondContact O-ND2 2.89Å
502A96.3Very high93.9Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-60.8-43.5173.500000111.4W439 V441 K445 Y448 D498 E499 A504 N505 H506W439-A502 HydrophobicContact CH2-CB 4.34Å; V441-A502 HydrophobicContact CG1-CB 3.87Å; K445-A502 HydrophobicContact CG-CB 4.07Å; Y448-A502 HydrophobicContact CD2-CB 3.88Å; Y448-A502 HydrophobicContact CG-CB 4.47Å; D498-A502 VanDerWaalsContact O-CB 3.32Å; D498-A502 WeakPolarHBondContact O-CB 3.49Å; D498-A502 PolarHBondContact O-N 2.9Å; E499-A502 PolarHBondContact O-N 2.91Å; A502-A504 PolarHBondContact O-N 3.05Å; A502-N505 PolarHBondContact O-N 3.23Å; A502-H506 WeakPolarHBondContact O-CB 3.34Å; A502-H506 PolarHBondContact O-N 2.82Å
503L96.2Very high93.6Very high0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-60.4-43.8174.5177.859.2000111.9W439 V441 A488 I490 E499 E500 F501 N505 H506 L507 L521 L525 P527W439-L503 HydrophobicContact CZ2-CB 4.26Å; V441-L503 HydrophobicContact CG2-CD1 4.38Å; A488-L503 HydrophobicContact CB-CG 4.46Å; I490-L503 HydrophobicContact CD1-CD2 4Å; E499-L503 WeakPolarHBondContact O-CB 3.05Å; E499-L503 PolarHBondContact O-N 3.06Å; E500-L503 PolarHBondContact O-N 3.28Å; F501-L503 VanDerWaalsContact C-N 3.33Å; L503-N505 VanDerWaalsContact C-N 3.33Å; L503-N505 PolarHBondContact O-N 2.86Å; L503-H506 PolarHBondContact O-N 3.23Å; L503-L507 HydrophobicContact CD1-CD1 4.33Å; L503-L507 HydrophobicContact CD1-CG 4.25Å; L503-L507 HydrophobicContact CG-CD1 4.32Å; L503-L507 WeakPolarHBondContact O-CG 3.43Å; L503-L507 PolarHBondContact O-N 2.87Å; L503-L521 HydrophobicContact CD2-CD1 4.08Å; L503-L521 HydrophobicContact CD1-CD1 4.14Å; L503-L521 HydrophobicContact CD2-CD2 3.63Å; L503-L525 HydrophobicContact CD1-CB 4.26Å; L503-P527 HydrophobicContact CD2-CG 4.38Å
504A96.6Very high92.9Very high0 Ų030.4 Ų30.40%017%0.174CC..Hα-helixtrans-59.9-42.6176.900000112.2I484 A488 L496 E500 F501 A502 L507 I508I484-A504 HydrophobicContact CG2-CB 4.24Å; A488-A504 HydrophobicContact CB-CB 3.74Å; L496-A504 HydrophobicContact CD1-CB 4.37Å; E500-A504 WeakPolarHBondContact O-CB 3.49Å; E500-A504 PolarHBondContact O-N 2.82Å; F501-A504 PolarHBondContact O-N 3.28Å; A502-A504 PolarHBondContact O-N 3.05Å; A504-L507 PolarHBondContact O-N 2.93Å; A504-I508 VanDerWaalsContact O-CG1 3.32Å; A504-I508 WeakPolarHBondContact O-CG1 3.47Å; A504-I508 PolarHBondContact O-N 2.87Å
505N96.3Very high92.4Very high23 Ų2331.1 Ų31.112%0.12317%0.168CC..Hα-helixtrans-69.7-37.7177.9-76.4-77.3000112.5Y448 F501 A502 L503 I508 K509Y448-N505 HydrophobicContact CD1-CB 3.57Å; Y448-N505 HydrophobicContact CD2-CB 4.16Å; Y448-N505 HydrophobicContact CE1-CB 3.61Å; Y448-N505 HydrophobicContact CE2-CB 4.17Å; Y448-N505 HydrophobicContact CG-CB 3.86Å; F501-N505 VanDerWaalsContact CD1-ND2 3.29Å; F501-N505 WeakPolarHBondContact CD1-ND2 3.45Å; F501-N505 WeakPolarHBondContact CE1-ND2 3.44Å; F501-N505 VanDerWaalsContact CZ-ND2 3.34Å; F501-N505 WeakPolarHBondContact CZ-ND2 3.36Å; F501-N505 PolarHBondContact O-N 2.99Å; F501-N505 PolarHBondContact O-ND2 2.89Å; A502-N505 PolarHBondContact O-N 3.23Å; L503-N505 VanDerWaalsContact C-N 3.33Å; L503-N505 PolarHBondContact O-N 2.86Å; N505-I508 WeakPolarHBondContact O-CB 3.33Å; N505-I508 PolarHBondContact O-N 3.44Å; N505-K509 PolarHBondContact O-N 3.36Å
506H94.4Very high91.8Very high1 Ų135.2 Ų35.21%0.00519%0.186CC..Hα-helixtrans-61.8-44.8173.2179.878.2000111.6E432 V441 Y448 A502 L503 I508 K509 V510E432-H506 IonicContact OE2-CE1 2.73Å; E432-H506 PolarHBondContact OE2-CE1 2.99Å; V441-H506 HydrophobicContact CG1-CB 3.98Å; V441-H506 HydrophobicContact CG2-CB 3.98Å; Y448-H506 HydrophobicContact CE2-CB 4.24Å; A502-H506 WeakPolarHBondContact O-CB 3.34Å; A502-H506 PolarHBondContact O-N 2.82Å; L503-H506 PolarHBondContact O-N 3.23Å; H506-I508 PolarHBondContact O-N 3.09Å; H506-I508 VanDerWaalsContact C-N 3.3Å; H506-K509 WeakPolarHBondContact O-CB 3.32Å; H506-K509 PolarHBondContact O-N 3.39Å; H506-K509 VanDerWaalsContact O-N 3.12Å; H506-V510 WeakPolarHBondContact O-CG2 3.34Å; H506-V510 PolarHBondContact O-N 2.83Å
507L94.4Very high91.2Very high0 Ų035.9 Ų35.90%019%0.189CC..Hα-helixtrans-65.3-32175.4-69.1175.7000113I484 L487 L503 A504 K511 L517 L525I484-L507 HydrophobicContact CD1-CB 4.48Å; I484-L507 HydrophobicContact CG1-CB 4.22Å; I484-L507 HydrophobicContact CG2-CB 3.88Å; I484-L507 HydrophobicContact CG2-CD1 4.27Å; L487-L507 HydrophobicContact CB-CD1 3.79Å; L487-L507 HydrophobicContact CD1-CD1 4.21Å; L503-L507 HydrophobicContact CD1-CD1 4.33Å; L503-L507 HydrophobicContact CD1-CG 4.25Å; L503-L507 HydrophobicContact CG-CD1 4.32Å; L503-L507 WeakPolarHBondContact O-CG 3.43Å; L503-L507 PolarHBondContact O-N 2.87Å; A504-L507 PolarHBondContact O-N 2.93Å; L507-K511 WeakPolarHBondContact O-CB 3.29Å; L507-K511 PolarHBondContact O-N 3.42Å; L507-K511 VanDerWaalsContact O-N 3.09Å; L507-L517 HydrophobicContact CD2-CD2 4.2Å; L507-L517 HydrophobicContact CB-CD2 4.11Å; L507-L525 HydrophobicContact CD2-CD1 4.29Å
508I94.5Very high90.6Very high11 Ų1136.2 Ų36.26%0.05619%0.193CC..Hα-helixtrans-64.1-46.6170.6-73.1169.5000110.2M471 L476 L481 I484 A504 N505 H506 K511 L512M471-I508 HydrophobicContact CB-CD1 4.12Å; M471-I508 HydrophobicContact CE-CD1 4.29Å; M471-I508 HydrophobicContact CG-CD1 3.97Å; L476-I508 HydrophobicContact CD1-CB 4.43Å; L476-I508 HydrophobicContact CD1-CG1 4.31Å; L476-I508 HydrophobicContact CD1-CG2 4.06Å; L481-I508 HydrophobicContact CD2-CD1 4.33Å; L481-I508 HydrophobicContact CD2-CG1 4.36Å; I484-I508 HydrophobicContact CD1-CB 4.45Å; I484-I508 HydrophobicContact CD1-CG1 3.63Å; I484-I508 HydrophobicContact CG2-CG1 4.39Å; A504-I508 VanDerWaalsContact O-CG1 3.32Å; A504-I508 WeakPolarHBondContact O-CG1 3.47Å; A504-I508 PolarHBondContact O-N 2.87Å; N505-I508 WeakPolarHBondContact O-CB 3.33Å; N505-I508 PolarHBondContact O-N 3.44Å; H506-I508 PolarHBondContact O-N 3.09Å; H506-I508 VanDerWaalsContact C-N 3.3Å; I508-K511 PolarHBondContact O-N 3.17Å; I508-L512 HydrophobicContact CG2-CD1 3.76Å; I508-L512 HydrophobicContact CG2-CG 4.28Å; I508-L512 WeakPolarHBondContact O-CG 3.25Å; I508-L512 PolarHBondContact O-N 3.34Å
509K92.8Very high90Very high60 Ų6039.1 Ų39.126%0.26122%0.217SC..Hα-helixtrans-57.4-51.9176.4-180-170.5176.9-167.50111D444 N505 H506 K511 L512 E513D444-K509 IonicContact OD2-NZ 2.71Å; D444-K509 PolarHBondContact OD2-NZ 3.08Å; N505-K509 PolarHBondContact O-N 3.36Å; H506-K509 WeakPolarHBondContact O-CB 3.32Å; H506-K509 PolarHBondContact O-N 3.39Å; H506-K509 VanDerWaalsContact O-N 3.12Å; K509-K511 PolarHBondContact O-N 3.18Å; K509-L512 PolarHBondContact O-N 2.63Å; K509-E513 WeakPolarHBondContact CG-OE1 3.01Å; K509-E513 PolarHBondContact O-N 3.41Å; K509-E513 WeakPolarHBondContact O-CG 3.49Å; K509-E513 WeakPolarHBondContact CE-OE1 3.39Å
510V88.2Confident89.4Confident0 Ų045.2 Ų45.20%025%0.245CC..Hα-helixtrans-49.8-44.2174.7164.40000111.3G429 H506 H515G429-V510 WeakPolarHBondContact O-CG2 2.99Å; H506-V510 WeakPolarHBondContact O-CG2 3.34Å; H506-V510 PolarHBondContact O-N 2.83Å; V510-H515 HydrophobicContact CG1-CB 3.83Å; V510-H515 WeakPolarHBondContact O-CB 3.4Å; V510-H515 PolarHBondContact O-N 3.06Å
511K88.1Confident88.9Confident59 Ų5947 Ų4726%0.25725%0.254SS..Hα-helixtrans-74.3-34.1-179.4-169.151.4174.4173.60113.6L476 V480 L507 I508 K509 E513 G514 H515 L517L476-K511 HydrophobicContact CD1-CB 4.08Å; L476-K511 HydrophobicContact CD1-CG 4.1Å; L476-K511 HydrophobicContact CD2-CG 3.99Å; V480-K511 HydrophobicContact CG1-CD 4.5Å; V480-K511 HydrophobicContact CG1-CG 3.77Å; L507-K511 WeakPolarHBondContact O-CB 3.29Å; L507-K511 PolarHBondContact O-N 3.42Å; L507-K511 VanDerWaalsContact O-N 3.09Å; I508-K511 PolarHBondContact O-N 3.17Å; K509-K511 PolarHBondContact O-N 3.18Å; K511-E513 VanDerWaalsContact C-N 3.3Å; K511-G514 PolarHBondContact O-N 3.24Å; K511-H515 WeakPolarHBondContact CD-O 3.39Å; K511-H515 PolarHBondContact NZ-O 3.21Å; K511-L517 HydrophobicContact CD-CG 4.36Å; K511-L517 HydrophobicContact CB-CD2 4.32Å; K511-L517 HydrophobicContact CB-CG 4.47Å
512L86.9Confident88.4Confident104 Ų10448.7 Ų48.755%0.54527%0.265SS..Hα-helixtrans-69.7-29.3175.5-72.5172.2000112.2L476 I508 K509 G514L476-L512 HydrophobicContact CD2-CD2 3.9Å; L476-L512 HydrophobicContact CD2-CG 4.48Å; L476-L512 HydrophobicContact CG-CD2 4.19Å; I508-L512 HydrophobicContact CG2-CD1 3.76Å; I508-L512 HydrophobicContact CG2-CG 4.28Å; I508-L512 WeakPolarHBondContact O-CG 3.25Å; I508-L512 PolarHBondContact O-N 3.34Å; K509-L512 PolarHBondContact O-N 2.63Å; L512-G514 PolarHBondContact O-N 3.22Å
513E84.2Confident88Confident105 Ų10552.6 Ų52.649%0.49130%0.298SS..THydrogen-bonded Turntrans-75.9-3.5173.8-70.8170.9175.200113.2K509 K511K509-E513 WeakPolarHBondContact CG-OE1 3.01Å; K509-E513 PolarHBondContact O-N 3.41Å; K509-E513 WeakPolarHBondContact O-CG 3.49Å; K509-E513 WeakPolarHBondContact CE-OE1 3.39Å; K511-E513 VanDerWaalsContact C-N 3.3Å
514G77.4Confident87.4Confident64 Ų6453.8 Ų53.866%0.6630%0.303SS*.THydrogen-bonded Turntrans98.41.817300000114.8K511 L512K511-G514 PolarHBondContact O-N 3.24Å; L512-G514 PolarHBondContact O-N 3.22Å
515H81.5Confident87.2Confident50 Ų5053.8 Ų53.823%0.23130%0.303CS..PPolyproline II helixtrans-79.8158180-61.9-78.4000112.7E428 V510 K511E428-H515 IonicContact OE2-CE1 2.72Å; E428-H515 PolarHBondContact OE2-CE1 2.96Å; V510-H515 HydrophobicContact CG1-CB 3.83Å; V510-H515 WeakPolarHBondContact O-CB 3.4Å; V510-H515 PolarHBondContact O-N 3.06Å; K511-H515 WeakPolarHBondContact CD-O 3.39Å; K511-H515 PolarHBondContact NZ-O 3.21Å
516E82.2Confident87Confident165 Ų16554 Ų5477%0.77131%0.305SS*.PPolyproline II helixtrans-81.2147.4172.3-65-146149.900111.9
517L84.4Confident86.9Confident14 Ų1454 Ų547%0.07331%0.305CS..PPolyproline II helixtrans-82.9140174.1-66.8171.3000109.2V480 K483 I484 L507 K511V480-L517 HydrophobicContact CG1-CD1 3.8Å; K483-L517 HydrophobicContact CB-CD1 4.47Å; K483-L517 HydrophobicContact CD-CB 4.09Å; K483-L517 HydrophobicContact CD-CD1 4.25Å; K483-L517 HydrophobicContact CG-CD1 4.45Å; K483-L517 PolarHBondContact NZ-O 2.73Å; I484-L517 HydrophobicContact CD1-CD1 4Å; I484-L517 HydrophobicContact CD1-CD2 4.44Å; I484-L517 HydrophobicContact CG1-CD1 3.45Å; I484-L517 VanDerWaalsContact CG1-CD1 3.45Å; I484-L517 HydrophobicContact CG1-CD2 4.08Å; I484-L517 HydrophobicContact CG1-CG 4.43Å; L507-L517 HydrophobicContact CD2-CD2 4.2Å; L507-L517 HydrophobicContact CB-CD2 4.11Å; K511-L517 HydrophobicContact CD-CG 4.36Å; K511-L517 HydrophobicContact CB-CD2 4.32Å; K511-L517 HydrophobicContact CB-CG 4.47Å
518P83.9Confident86.8Confident26 Ų2657 Ų5717%0.16933%0.325CS..PPolyproline II helixtrans-68.9157.5-177.534.3-37.6000110.3A430 K483 L487 E520 P522A430-P518 HydrophobicContact CB-CB 4.17Å; A430-P518 VanDerWaalsContact CB-CD 3.47Å; A430-P518 HydrophobicContact CB-CG 3.66Å; K483-P518 WeakPolarHBondContact CE-O 3.4Å; K483-P518 PolarHBondContact NZ-O 2.74Å; L487-P518 HydrophobicContact CD1-CG 4.21Å; P518-E520 VanDerWaalsContact C-N 3.34Å; P518-E520 VanDerWaalsContact CB-O 3.29Å; P518-E520 WeakPolarHBondContact CB-O 3.43Å; P518-P522 HydrophobicContact CB-CG 4.46Å
519S81.8Confident86.5Confident110 Ų11060.3 Ų60.377%0.76935%0.349SS*.SBendtrans-70.4-34.5174.845.40000111.9
520E84.6Confident86.3Confident157 Ų15759.9 Ų59.973%0.73435%0.347SS*.SBendtrans-134152.3177.2-62.1-173.4169.800109.5P518 P522P518-E520 VanDerWaalsContact C-N 3.34Å; P518-E520 VanDerWaalsContact CB-O 3.29Å; P518-E520 WeakPolarHBondContact CB-O 3.43Å; E520-P522 VanDerWaalsContact O-CD 3.26Å; E520-P522 WeakPolarHBondContact O-CD 3.28Å
521L86Confident86.2Confident37 Ų3764.4 Ų64.419%0.19436%0.364CS..  trans-72.4120.4-177.8-171.271.1000110.3L487 I490 L503 L525 V526L487-L521 HydrophobicContact CD2-CB 4.22Å; I490-L521 HydrophobicContact CD1-CD2 3.8Å; I490-L521 HydrophobicContact CG1-CD2 4.2Å; L503-L521 HydrophobicContact CD2-CD1 4.08Å; L503-L521 HydrophobicContact CD1-CD1 4.14Å; L503-L521 HydrophobicContact CD2-CD2 3.63Å; L521-L525 HydrophobicContact CD1-CB 3.83Å; L521-L525 HydrophobicContact CD1-CD1 4.2Å; L521-L525 HydrophobicContact CG-CB 4.21Å; L521-V526 HydrophobicContact CD2-CG2 4.01Å; L521-V526 HydrophobicContact CG-CG2 4.48Å
522P86.5Confident85.3Confident36 Ų3671.4 Ų71.423%0.23440%0.395CS..  trans-62.1147.8176.1-24.236.2000112.4P518 E520 H524 L525 V526P518-P522 HydrophobicContact CB-CG 4.46Å; E520-P522 VanDerWaalsContact O-CD 3.26Å; E520-P522 WeakPolarHBondContact O-CD 3.28Å; P522-H524 VanDerWaalsContact C-N 3.28Å; P522-H524 VanDerWaalsContact CB-CE1 3.44Å; P522-H524 WeakPolarHBondContact CB-CE1 3.24Å; P522-H524 PolarHBondContact O-N 3.42Å; P522-L525 PolarHBondContact O-N 3.34Å; P522-V526 PolarHBondContact O-N 3.42Å
523A85.9Confident83.4Confident82 Ų8274 Ų7468%0.67841%0.408SS*.G310 helixtrans-57.3-36.5-175.600000113.9L525 V526A523-L525 VanDerWaalsContact C-N 3.31Å; A523-L525 PolarHBondContact O-N 3.11Å; A523-V526 PolarHBondContact O-N 3.17Å; A523-V526 WeakPolarHBondContact O-CB 3.06Å
524H84.4Confident81.2Confident26 Ų2673.6 Ų73.612%0.1242%0.422CS..G310 helixtrans-68.8-28.2179.368.4-85.4000112.6A430 E432 W439 P522 R531A430-H524 PolarHBondContact O-CE1 3.08Å; A430-H524 VanDerWaalsContact O-CE1 3.31Å; A430-H524 PolarHBondContact O-NE2 3.08Å; E432-H524 PolarHBondContact O-CD2 2.66Å; E432-H524 PolarHBondContact O-NE2 2.95Å; W439-H524 VanDerWaalsContact CD1-O 3.24Å; P522-H524 VanDerWaalsContact C-N 3.28Å; P522-H524 VanDerWaalsContact CB-CE1 3.44Å; P522-H524 WeakPolarHBondContact CB-CE1 3.24Å; P522-H524 PolarHBondContact O-N 3.42Å; H524-R531 PolarHBondContact O-NH2 3.16Å; H524-R531 VanDerWaalsContact O-NH2 3.12Å
525L91.9Very high79Confident0 Ų083 Ų830%045%0.448CS..G310 helixtrans-81.9-11.9175.4-67.6-170.3000113.6A430 W439 V440 V441 L503 L507 L521 P522 A523 P527A430-L525 HydrophobicContact CB-CD1 4.08Å; A430-L525 WeakPolarHBondContact O-CD1 3.28Å; W439-L525 PolarHBondContact NE1-O 3.18Å; V440-L525 HydrophobicContact CG1-CD2 3.43Å; V440-L525 VanDerWaalsContact CG1-CD2 3.43Å; V441-L525 HydrophobicContact CG2-CD2 4.45Å; L503-L525 HydrophobicContact CD1-CB 4.26Å; L507-L525 HydrophobicContact CD2-CD1 4.29Å; L521-L525 HydrophobicContact CD1-CB 3.83Å; L521-L525 HydrophobicContact CD1-CD1 4.2Å; L521-L525 HydrophobicContact CG-CB 4.21Å; P522-L525 PolarHBondContact O-N 3.34Å; A523-L525 VanDerWaalsContact C-N 3.31Å; A523-L525 PolarHBondContact O-N 3.11Å; L525-P527 WeakPolarHBondContact O-CD 3.45Å
526V92.6Very high78.9Confident27 Ų2784.6 Ų84.616%0.16446%0.459CS..SBendtrans-64.1125.1175.3-179.50000108.9I490 L521 P522 A523 K530 R531I490-V526 HydrophobicContact CD1-CG1 4.41Å; L521-V526 HydrophobicContact CD2-CG2 4.01Å; L521-V526 HydrophobicContact CG-CG2 4.48Å; P522-V526 PolarHBondContact O-N 3.42Å; A523-V526 PolarHBondContact O-N 3.17Å; A523-V526 WeakPolarHBondContact O-CB 3.06Å; V526-K530 HydrophobicContact CG1-CB 4.26Å; V526-R531 HydrophobicContact CB-CG 4.12Å; V526-R531 HydrophobicContact CG1-CG 3.84Å; V526-R531 PolarHBondContact O-NE 3.4Å; V526-R531 PolarHBondContact O-NH2 3.16Å
527P93.5Very high78.7Confident0 Ų080.4 Ų80.40%044%0.443CS..  trans-50.6137.6175.7-28.936.6000112.2W439 I490 E499 L503 L525 S529 K530 R531W439-P527 HydrophobicContact CH2-CB 4.21Å; W439-P527 HydrophobicContact CH2-CG 4.17Å; W439-P527 HydrophobicContact CZ2-CB 4.07Å; W439-P527 HydrophobicContact CZ2-CG 3.79Å; I490-P527 HydrophobicContact CD1-CG 3.74Å; E499-P527 HydrophobicContact CB-CB 3.77Å; E499-P527 HydrophobicContact CB-CG 4.11Å; E499-P527 HydrophobicContact CG-CB 4.42Å; E499-P527 VanDerWaalsContact OE2-CB 3.24Å; E499-P527 WeakPolarHBondContact OE2-CB 3.37Å; L503-P527 HydrophobicContact CD2-CG 4.38Å; L525-P527 WeakPolarHBondContact O-CD 3.45Å; P527-S529 PolarHBondContact O-N 3.37Å; P527-S529 VanDerWaalsContact O-N 3.15Å; P527-K530 HydrophobicContact CB-CB 4.38Å; P527-K530 PolarHBondContact O-N 2.94Å; P527-K530 HydrophobicContact CB-CG 4.23Å; P527-R531 PolarHBondContact O-N 3.2Å
528P90.5Very high78.4Confident64 Ų6484.1 Ų84.142%0.41646%0.463SS..G310 helixtrans-51.5-40-177.3-28.835.7000113.6W439 K530 R531W439-P528 HydrophobicContact CB-CG 3.88Å; W439-P528 HydrophobicContact CD2-CG 4.32Å; W439-P528 HydrophobicContact CE3-CG 4.28Å; W439-P528 HydrophobicContact CG-CG 4.2Å; P528-K530 PolarHBondContact O-N 3.09Å; P528-R531 PolarHBondContact O-N 3.12Å
529S89.5Confident78.1Confident81 Ų8187.5 Ų87.557%0.56648%0.481SS*.G310 helixtrans-68.4-21.8-179.976.40000114E499 P527E499-S529 WeakPolarHBondContact OE2-CB 3.24Å; E499-S529 PolarHBondContact OE2-N 3.29Å; E499-S529 PolarHBondContact OE2-OG 3.46Å; P527-S529 PolarHBondContact O-N 3.37Å; P527-S529 VanDerWaalsContact O-N 3.15Å
530K87.5Confident77.9Confident50 Ų5086.1 Ų86.122%0.21746%0.463CS..G310 helixtrans-103.8-0.1-176.2-56-66.617597.60113I490 D491 D497 E500 V526 P527 P528 K532I490-K530 HydrophobicContact CG2-CB 4.1Å; I490-K530 HydrophobicContact CG2-CG 4.49Å; D491-K530 IonicContact OD2-NZ 3.74Å; D491-K530 PolarHBondContact OD2-NZ 3.38Å; D497-K530 WeakPolarHBondContact OD2-CE 3.29Å; D497-K530 IonicContact OD2-NZ 3.26Å; D497-K530 PolarHBondContact OD2-NZ 2.97Å; E500-K530 VanDerWaalsContact CD-NZ 3.32Å; E500-K530 IonicContact OE1-NZ 3.56Å; E500-K530 PolarHBondContact OE1-NZ 3.31Å; E500-K530 IonicContact OE2-NZ 3.52Å; V526-K530 HydrophobicContact CG1-CB 4.26Å; P527-K530 HydrophobicContact CB-CB 4.38Å; P527-K530 PolarHBondContact O-N 2.94Å; P527-K530 HydrophobicContact CB-CG 4.23Å; P528-K530 PolarHBondContact O-N 3.09Å; K530-K532 PolarHBondContact O-N 3.3Å
531R87.7Confident77.4Confident96 Ų9681.3 Ų81.336%0.36244%0.444SS..SBendtrans-68.4119.5174-69175.9-172.9-178.6-3.3108.7H524 V526 P527 P528 I533H524-R531 PolarHBondContact O-NH2 3.16Å; H524-R531 VanDerWaalsContact O-NH2 3.12Å; V526-R531 HydrophobicContact CB-CG 4.12Å; V526-R531 HydrophobicContact CG1-CG 3.84Å; V526-R531 PolarHBondContact O-NE 3.4Å; V526-R531 PolarHBondContact O-NH2 3.16Å; P527-R531 PolarHBondContact O-N 3.2Å; P528-R531 PolarHBondContact O-N 3.12Å; R531-I533 PolarHBondContact O-N 3.31Å; R531-I533 VanDerWaalsContact O-N 3.16Å
532K68.8Low76.8Confident205 Ų20584.5 Ų84.589%0.89146%0.462SS*.  trans-58.8121.6172.1-70-176.7179179.80108K530 A534K530-K532 PolarHBondContact O-N 3.3Å; K532-A534 PolarHBondContact O-N 3.23Å; K532-A534 VanDerWaalsContact O-N 3.07Å
533I46.2Very low76.1Confident160 Ų16088.2 Ų88.282%0.82148%0.48SS*.  trans-61.8113.2168.9-59174.2000105.7R531 E535R531-I533 PolarHBondContact O-N 3.31Å; R531-I533 VanDerWaalsContact O-N 3.16Å; I533-E535 PolarHBondContact O-N 2.63Å
534A38.1Very low75.3Confident95 Ų9588.8 Ų88.879%0.78546%0.464SS*.  trans-68.6109.5165.500000106.7K532K532-A534 PolarHBondContact O-N 3.23Å; K532-A534 VanDerWaalsContact O-N 3.07Å
535E32.4Very low74.4Confident261 Ų26194.5 Ų94.5100%1.2250%0.495SS*.  trans-72.30157.6-78.2-172.2160.100110.2I533I533-E535 PolarHBondContact O-N 2.63Å

Retrieved 535 of 535 residues in 977.5 ms (Link to these results)

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