A0A5K4F082_SCHMA Loading...

CUB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F082, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,065 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
1M44.6Very low47.7Very low28 Ų2895.9 Ų95.914%0.13845%0.451CS..  000-122.9-159.5-143.600110.3F5 I458 I459 V461 S462 F463M1-F5 WeakPolarHBondContact O-CA 3.42Å; M1-F5 WeakPolarHBondContact O-CB 3.49Å; M1-F5 PolarHBondContact O-N 2.97Å; M1-I458 HydrophobicContact CE-CG2 3.99Å; M1-I458 WeakPolarHBondContact CE-O 2.71Å; M1-I458 WeakPolarHBondContact CG-O 2.21Å; M1-I458 HydrophobicContact SD-CG2 4.04Å; M1-I458 CovalentContact SD-O 1.67Å; M1-I459 CarbonylContact C-O 3.4Å; M1-I459 VanDerWaalsContact C-O 3.28Å; M1-I459 WeakPolarHBondContact CA-O 3.12Å; M1-I459 WeakPolarHBondContact CB-O 2.94Å; M1-I459 WeakPolarHBondContact CG-O 2.79Å; M1-I459 VanDerWaalsContact SD-C 3.59Å; M1-I459 WeakPolarHBondContact SD-CA 3.41Å; M1-V461 HydrophobicContact CE-CB 4.34Å; M1-V461 HydrophobicContact CE-CG1 4.48Å; M1-V461 VanDerWaalsContact SD-C 3.57Å; M1-S462 WeakPolarHBondContact CA-O 3.19Å; M1-S462 CovalentContact CB-C 1.8Å; M1-S462 WeakPolarHBondContact CB-O 3.11Å; M1-S462 WeakPolarHBondContact CB-OG 3.35Å; M1-S462 CovalentContact CE-OG 1.26Å; M1-S462 WeakPolarHBondContact CE-OG 3.01Å; M1-S462 CovalentContact CG-CA 1.54Å; M1-S462 CovalentContact CG-CB 0.66Å; M1-S462 WeakPolarHBondContact CG-O 3.47Å; M1-S462 WeakPolarHBondContact CG-OG 3.07Å; M1-S462 PolarHBondContact N-O 2.67Å; M1-S462 VanDerWaalsContact SD-C 3.58Å; M1-S462 WeakPolarHBondContact SD-CA 3.15Å; M1-S462 CovalentContact SD-CB 1.7Å; M1-S462 WeakPolarHBondContact SD-CB 3.17Å; M1-S462 PolarHBondContact SD-N 3.48Å; M1-S462 CovalentContact SD-OG 1.35Å; M1-S462 PolarHBondContact SD-OG 3.41Å; M1-F463 VanDerWaalsContact C-N 3.26Å; M1-F463 HydrophobicContact CB-CB 3.38Å; M1-F463 CovalentContact CB-N 1.66Å; M1-F463 CovalentContact N-CA 1.39Å; M1-F463 PolarHBondContact N-O 3.4Å
2I46.1Very low47.1Very low78 Ų7893.8 Ų93.840%0.446%0.455SS..Hα-helix0-260-69.6171.6000109.8F5 I6 I459 F463I2-F5 CarbonylContact O-C 3.6Å; I2-I6 HydrophobicContact CG2-CD1 3.96Å; I2-I6 HydrophobicContact CG2-CG1 4.33Å; I2-I6 VanDerWaalsContact O-CB 3.26Å; I2-I6 WeakPolarHBondContact O-CB 2.72Å; I2-I6 WeakPolarHBondContact O-CD1 2.59Å; I2-I6 WeakPolarHBondContact O-CG1 3.04Å; I2-I6 PolarHBondContact O-N 3.41Å; I2-I459 HydrophobicContact CB-CG2 4.37Å; I2-I459 HydrophobicContact CD1-CG2 4.38Å; I2-I459 HydrophobicContact CG1-CG2 3.3Å; I2-I459 PolarHBondContact N-O 3.5Å; I2-F463 HydrophobicContact CB-CB 3.82Å; I2-F463 HydrophobicContact CB-CD1 4.29Å; I2-F463 HydrophobicContact CB-CD2 2.96Å; I2-F463 HydrophobicContact CB-CE2 3.52Å; I2-F463 HydrophobicContact CB-CG 3.44Å; I2-F463 VanDerWaalsContact CB-CG 3.44Å; I2-F463 HydrophobicContact CB-CZ 4.35Å; I2-F463 HydrophobicContact CG1-CB 4.01Å; I2-F463 HydrophobicContact CG1-CD2 4.09Å; I2-F463 HydrophobicContact CG1-CG 4.09Å; I2-F463 HydrophobicContact CG2-CD2 3.96Å; I2-F463 HydrophobicContact CG2-CE2 3.99Å
3F41.5Very low46.9Very low119 Ų11994 Ų9452%0.52247%0.465SS..Hα-helixtrans-89.6-24.2173.1-143.7-92.8000109.2I6 L7 F463F3-I6 PolarHBondContact O-N 3.4Å; F3-L7 WeakPolarHBondContact O-CB 3.16Å; F3-L7 PolarHBondContact O-N 3.48Å; F3-F463 HydrophobicContact CB-CD2 3.43Å; F3-F463 VanDerWaalsContact CB-CD2 3.43Å; F3-F463 HydrophobicContact CB-CE2 2.89Å; F3-F463 HydrophobicContact CB-CZ 3.85Å; F3-F463 AromaticContact CD2-CE2 3.82Å; F3-F463 HydrophobicContact CD2-CE2 3.82Å; F3-F463 HydrophobicContact CD2-CZ 4.17Å; F3-F463 AromaticContact CG-CE2 3.83Å; F3-F463 HydrophobicContact CG-CE2 3.83Å; F3-F463 HydrophobicContact CG-CZ 4.48Å
4R44.6Very low46.1Very low133 Ų13393.4 Ų93.450%0.50246%0.464SS..Hα-helixtrans-83.9-22.5164.7-80.8-156.8176.1-179.42110.7L7 V8 I466R4-L7 CarbonylContact O-C 3.26Å; R4-V8 VanDerWaalsContact O-CA 3.25Å; R4-V8 WeakPolarHBondContact O-CA 3.06Å; R4-V8 WeakPolarHBondContact O-CB 2.6Å; R4-V8 WeakPolarHBondContact O-CG2 3.47Å; R4-V8 PolarHBondContact O-N 3.28Å; R4-I466 HydrophobicContact CB-CB 4.37Å; R4-I466 CovalentContact CB-CD1 1.95Å; R4-I466 HydrophobicContact CB-CD1 1.95Å; R4-I466 HydrophobicContact CB-CG1 3.46Å; R4-I466 VanDerWaalsContact CB-CG1 3.46Å; R4-I466 HydrophobicContact CB-CG2 4.48Å; R4-I466 HydrophobicContact CG-CB 3.39Å; R4-I466 CovalentContact CG-CD1 1.48Å; R4-I466 HydrophobicContact CG-CD1 1.48Å; R4-I466 HydrophobicContact CG-CG1 2.5Å; R4-I466 HydrophobicContact CG-CG2 3.3Å; R4-I466 VanDerWaalsContact CZ-CG1 3.41Å
5F48.1Very low45.3Very low105 Ų10591.7 Ų91.746%0.46146%0.464SS..Hα-helixtrans-83.20172-144.1-93.9000109.6M1 I2 V8 I9 I459M1-F5 WeakPolarHBondContact O-CA 3.42Å; M1-F5 WeakPolarHBondContact O-CB 3.49Å; M1-F5 PolarHBondContact O-N 2.97Å; I2-F5 CarbonylContact O-C 3.6Å; F5-V8 PolarHBondContact O-N 3.11Å; F5-I9 HydrophobicContact CD1-CD1 4.1Å; F5-I9 HydrophobicContact CD1-CG1 4.39Å; F5-I9 HydrophobicContact CE1-CD1 4.47Å; F5-I9 WeakPolarHBondContact O-CB 2.97Å; F5-I9 WeakPolarHBondContact O-CG1 2.23Å; F5-I9 PolarHBondContact O-N 3.08Å; F5-I459 HydrophobicContact CD2-CG1 4.23Å; F5-I459 HydrophobicContact CE2-CD1 4.3Å; F5-I459 HydrophobicContact CE2-CG1 4.18Å; F5-I459 HydrophobicContact CZ-CD1 4.32Å
6I52.7Low44.8Very low92 Ų9293 Ų9347%0.47248%0.478SS..Hα-helix0-17.70-68.9177.1000108.8I2 F3 Y10I2-I6 HydrophobicContact CG2-CD1 3.96Å; I2-I6 HydrophobicContact CG2-CG1 4.33Å; I2-I6 VanDerWaalsContact O-CB 3.26Å; I2-I6 WeakPolarHBondContact O-CB 2.72Å; I2-I6 WeakPolarHBondContact O-CD1 2.59Å; I2-I6 WeakPolarHBondContact O-CG1 3.04Å; I2-I6 PolarHBondContact O-N 3.41Å; F3-I6 PolarHBondContact O-N 3.4Å; I6-Y10 WeakPolarHBondContact O-CA 3.14Å; I6-Y10 WeakPolarHBondContact O-CB 3.13Å; I6-Y10 PolarHBondContact O-N 3.47Å
7L53.6Low44.3Very low84 Ų8495.2 Ų95.244%0.4448%0.484SS..Hα-helixtrans-95.60174.9-167.4101000109.8F3 R4 Y10 I11F3-L7 WeakPolarHBondContact O-CB 3.16Å; F3-L7 PolarHBondContact O-N 3.48Å; R4-L7 CarbonylContact O-C 3.26Å; L7-Y10 CarbonylContact O-C 3.58Å; L7-Y10 PolarHBondContact O-N 3.06Å; L7-I11 HydrophobicContact CD2-CD1 3.32Å; L7-I11 HydrophobicContact CD2-CG1 4.27Å; L7-I11 HydrophobicContact CG-CD1 3.59Å; L7-I11 HydrophobicContact CG-CG1 3.95Å; L7-I11 WeakPolarHBondContact O-CA 3.35Å; L7-I11 WeakPolarHBondContact O-CB 3.09Å; L7-I11 WeakPolarHBondContact O-CG1 3.44Å; L7-I11 PolarHBondContact O-N 3.37Å
8V49.2Very low44.2Very low81 Ų8191.8 Ų91.849%0.49148%0.476SS..Hα-helix000170.50000108.6R4 F5 S12R4-V8 VanDerWaalsContact O-CA 3.25Å; R4-V8 WeakPolarHBondContact O-CA 3.06Å; R4-V8 WeakPolarHBondContact O-CB 2.6Å; R4-V8 WeakPolarHBondContact O-CG2 3.47Å; R4-V8 PolarHBondContact O-N 3.28Å; F5-V8 PolarHBondContact O-N 3.11Å; V8-S12 WeakPolarHBondContact O-CA 2.89Å; V8-S12 WeakPolarHBondContact O-CB 3.22Å; V8-S12 PolarHBondContact O-N 3.31Å; V8-S12 CovalentContact O-OG 1.35Å; V8-S12 PolarHBondContact O-OG 2.72Å
9I52.2Low44.8Very low98 Ų9888.8 Ų88.850%0.50346%0.46SS..Hα-helix000-68.6179.2000109F5 S12 T13F5-I9 HydrophobicContact CD1-CD1 4.1Å; F5-I9 HydrophobicContact CD1-CG1 4.39Å; F5-I9 HydrophobicContact CE1-CD1 4.47Å; F5-I9 WeakPolarHBondContact O-CB 2.97Å; F5-I9 WeakPolarHBondContact O-CG1 2.23Å; F5-I9 PolarHBondContact O-N 3.08Å; I9-S12 WeakPolarHBondContact CA-OG 3.01Å; I9-S12 PolarHBondContact N-OG 3.46Å; I9-T13 WeakPolarHBondContact O-CB 2.29Å; I9-T13 WeakPolarHBondContact O-CG2 3.45Å; I9-T13 PolarHBondContact O-N 3.45Å; I9-T13 PolarHBondContact O-OG1 3.09Å
10Y44.2Very low45.6Very low152 Ų15286 Ų8660%0.59645%0.448SS*.Hα-helix000-146.2-96.3000110I6 L7 T13 L14I6-Y10 WeakPolarHBondContact O-CA 3.14Å; I6-Y10 WeakPolarHBondContact O-CB 3.13Å; I6-Y10 PolarHBondContact O-N 3.47Å; L7-Y10 CarbonylContact O-C 3.58Å; L7-Y10 PolarHBondContact O-N 3.06Å; Y10-T13 VanDerWaalsContact C-OG1 3.28Å; Y10-T13 WeakPolarHBondContact CA-OG1 3.46Å; Y10-T13 PolarHBondContact N-OG1 3.3Å; Y10-T13 PolarHBondContact O-OG1 3.29Å; Y10-T13 VanDerWaalsContact O-OG1 3.11Å; Y10-L14 HydrophobicContact CD1-CD1 2.47Å; Y10-L14 HydrophobicContact CD1-CG 4.01Å; Y10-L14 HydrophobicContact CD2-CD1 4.38Å; Y10-L14 HydrophobicContact CE1-CD1 2.85Å; Y10-L14 HydrophobicContact CE1-CG 4.21Å; Y10-L14 HydrophobicContact CG-CD1 3.4Å; Y10-L14 VanDerWaalsContact CG-CD1 3.4Å; Y10-L14 VanDerWaalsContact O-CA 3.27Å; Y10-L14 WeakPolarHBondContact O-CA 2.13Å; Y10-L14 WeakPolarHBondContact O-CB 3.36Å; Y10-L14 WeakPolarHBondContact O-CD1 3.44Å; Y10-L14 WeakPolarHBondContact O-CG 3.05Å; Y10-L14 PolarHBondContact O-N 2.91Å
11I47.9Very low46.3Very low85 Ų8585.4 Ų85.444%0.43645%0.445SS..Hα-helix0-18.40-67.2176.8000108.1L7 L14 S15L7-I11 HydrophobicContact CD2-CD1 3.32Å; L7-I11 HydrophobicContact CD2-CG1 4.27Å; L7-I11 HydrophobicContact CG-CD1 3.59Å; L7-I11 HydrophobicContact CG-CG1 3.95Å; L7-I11 WeakPolarHBondContact O-CA 3.35Å; L7-I11 WeakPolarHBondContact O-CB 3.09Å; L7-I11 WeakPolarHBondContact O-CG1 3.44Å; L7-I11 PolarHBondContact O-N 3.37Å; I11-L14 CarbonylContact O-C 3.57Å; I11-L14 PolarHBondContact O-N 2.62Å; I11-S15 WeakPolarHBondContact O-CB 3.46Å; I11-S15 PolarHBondContact O-N 3.39Å; I11-S15 PolarHBondContact O-OG 3.01Å
12S40.5Very low47.2Very low71 Ų7186.4 Ų86.450%0.49745%0.448SS..Hα-helixtrans-87.50171.7-11.80000109.7V8 I9V8-S12 WeakPolarHBondContact O-CA 2.89Å; V8-S12 WeakPolarHBondContact O-CB 3.22Å; V8-S12 PolarHBondContact O-N 3.31Å; V8-S12 CovalentContact O-OG 1.35Å; V8-S12 PolarHBondContact O-OG 2.72Å; I9-S12 WeakPolarHBondContact CA-OG 3.01Å; I9-S12 PolarHBondContact N-OG 3.46Å
13T44.4Very low48Very low96 Ų9685.1 Ų85.159%0.58944%0.438SS*.Hα-helix00043.30000109.4I9 Y10I9-T13 WeakPolarHBondContact O-CB 2.29Å; I9-T13 WeakPolarHBondContact O-CG2 3.45Å; I9-T13 PolarHBondContact O-N 3.45Å; I9-T13 PolarHBondContact O-OG1 3.09Å; Y10-T13 VanDerWaalsContact C-OG1 3.28Å; Y10-T13 WeakPolarHBondContact CA-OG1 3.46Å; Y10-T13 PolarHBondContact N-OG1 3.3Å; Y10-T13 PolarHBondContact O-OG1 3.29Å; Y10-T13 VanDerWaalsContact O-OG1 3.11Å
14L36.6Very low49.1Very low86 Ų8679.5 Ų79.545%0.4541%0.414SS..Hα-helix000-97.7138.7000109.2Y10 I11 F17Y10-L14 HydrophobicContact CD1-CD1 2.47Å; Y10-L14 HydrophobicContact CD1-CG 4.01Å; Y10-L14 HydrophobicContact CD2-CD1 4.38Å; Y10-L14 HydrophobicContact CE1-CD1 2.85Å; Y10-L14 HydrophobicContact CE1-CG 4.21Å; Y10-L14 HydrophobicContact CG-CD1 3.4Å; Y10-L14 VanDerWaalsContact CG-CD1 3.4Å; Y10-L14 VanDerWaalsContact O-CA 3.27Å; Y10-L14 WeakPolarHBondContact O-CA 2.13Å; Y10-L14 WeakPolarHBondContact O-CB 3.36Å; Y10-L14 WeakPolarHBondContact O-CD1 3.44Å; Y10-L14 WeakPolarHBondContact O-CG 3.05Å; Y10-L14 PolarHBondContact O-N 2.91Å; I11-L14 CarbonylContact O-C 3.57Å; I11-L14 PolarHBondContact O-N 2.62Å; L14-F17 WeakPolarHBondContact O-CD2 3.43Å; L14-F17 WeakPolarHBondContact O-CE2 2.77Å
15S33.2Very low49.7Very low67 Ų6773.4 Ų73.447%0.46939%0.392SS..  00051.40000109.1I11 F17I11-S15 WeakPolarHBondContact O-CB 3.46Å; I11-S15 PolarHBondContact O-N 3.39Å; I11-S15 PolarHBondContact O-OG 3.01Å; S15-F17 PolarHBondContact O-N 3.29Å
16V37.8Very low50.3Low113 Ų11374.2 Ų74.269%0.68540%0.397SS*.  000-178.50000109.3
17F36Very low50.8Low131 Ų13173.4 Ų73.458%0.57539%0.391SS*.  000-84.7-80.3000110.1L14 S15L14-F17 WeakPolarHBondContact O-CD2 3.43Å; L14-F17 WeakPolarHBondContact O-CE2 2.77Å; S15-F17 PolarHBondContact O-N 3.29Å
18G42.6Very low51.1Low33 Ų3370.2 Ų70.234%0.3438%0.375SS..SBend077.8000000110.3
19I56Low51.4Low35 Ų3571.4 Ų71.418%0.17938%0.375CS..  trans91.2106.5161.2-62.2168000109G45 V47 L356 D359 I361I19-G45 VanDerWaalsContact CA-O 3.3Å; I19-G45 WeakPolarHBondContact CA-O 3.34Å; I19-V47 HydrophobicContact CG2-CG2 4.29Å; I19-L356 HydrophobicContact CG1-CD2 3.89Å; I19-D359 HydrophobicContact CD1-CB 2.83Å; I19-D359 WeakPolarHBondContact CD1-OD2 2.6Å; I19-D359 HydrophobicContact CG1-CB 4.18Å; I19-D359 VanDerWaalsContact CG1-OD2 3.23Å; I19-D359 WeakPolarHBondContact CG1-OD2 3.26Å; I19-I361 HydrophobicContact CD1-CD1 3.95Å; I19-I361 HydrophobicContact CG2-CD1 3.5Å; I19-I361 VanDerWaalsContact CG2-CD1 3.5Å
20S61.4Low51.2Low32 Ų3273.8 Ų73.822%0.22439%0.389CS..EExtended strand (participates in β ladder)trans-89.4115.1175-62.80000110.4Y22 G45 A46 V47S20-Y22 VanDerWaalsContact CB-OH 3.25Å; S20-Y22 WeakPolarHBondContact CB-OH 3.03Å; S20-Y22 PolarHBondContact OG-OH 3.35Å; S20-G45 PolarHBondContact N-O 3.03Å; S20-A46 WeakPolarHBondContact O-CA 3.25Å; S20-V47 PolarHBondContact O-N 2.49Å
21I59.9Low51.2Low75 Ų7571.3 Ų71.339%0.38539%0.385SS..EExtended strand (participates in β ladder)trans-90.8120.6174.7-62.4174000108.7Y23 V47 Y49I21-Y23 HydrophobicContact CG2-CE1 4.18Å; I21-Y23 HydrophobicContact CG2-CE2 3.9Å; I21-V47 WeakPolarHBondContact CA-O 3.14Å; I21-Y49 HydrophobicContact CG2-CD2 3.63Å; I21-Y49 HydrophobicContact CG2-CE2 3.49Å; I21-Y49 VanDerWaalsContact CG2-CE2 3.49Å
22Y63.1Low50.8Low49 Ų4973.3 Ų73.319%0.19240%0.404CS..EExtended strand (participates in β ladder)trans-114.7136-177.6-67.4-88.3000109.6S20 F41 A46 V47 Y49S20-Y22 VanDerWaalsContact CB-OH 3.25Å; S20-Y22 WeakPolarHBondContact CB-OH 3.03Å; S20-Y22 PolarHBondContact OG-OH 3.35Å; Y22-F41 HydrophobicContact CE1-CD1 4.49Å; Y22-F41 HydrophobicContact CE2-CD1 4.41Å; Y22-F41 HydrophobicContact CE2-CD2 4.23Å; Y22-F41 HydrophobicContact CE2-CE2 4.42Å; Y22-F41 HydrophobicContact CE2-CG 4.22Å; Y22-F41 WeakPolarHBondContact OH-CB 3.34Å; Y22-A46 HydrophobicContact CD2-CB 4.32Å; Y22-A46 HydrophobicContact CE2-CB 4.13Å; Y22-V47 PolarHBondContact N-O 3.4Å; Y22-Y49 PolarHBondContact O-N 3.1Å
23Y61.8Low51Low51 Ų5174 Ų7420%0.242%0.422CS..EExtended strand (participates in β ladder)trans-109.3117.8175-57.6-83.5000110.4I21 S25 Q26 H27 Y49 P52 A55I21-Y23 HydrophobicContact CG2-CE1 4.18Å; I21-Y23 HydrophobicContact CG2-CE2 3.9Å; Y23-S25 PolarHBondContact O-N 2.4Å; Y23-Q26 PolarHBondContact O-N 2.9Å; Y23-H27 AromaticContact CD2-NE2 4Å; Y23-H27 PolarHBondContact N-CD2 2.86Å; Y23-H27 PolarHBondContact N-NE2 3.38Å; Y23-H27 WeakPolarHBondContact O-CB 3.15Å; Y23-H27 PolarHBondContact O-CD2 3.41Å; Y23-H27 PolarHBondContact O-N 2.74Å; Y23-Y49 HydrophobicContact CD1-CD2 4.37Å; Y23-Y49 HydrophobicContact CE1-CD2 4.09Å; Y23-Y49 HydrophobicContact CE1-CG 4.47Å; Y23-P52 HydrophobicContact CD1-CB 3.8Å; Y23-P52 HydrophobicContact CD1-CG 4.15Å; Y23-P52 HydrophobicContact CE1-CB 4.27Å; Y23-P52 HydrophobicContact CG-CB 4.14Å; Y23-P52 HydrophobicContact CG-CG 4.14Å; Y23-A55 HydrophobicContact CD1-CB 3.86Å; Y23-A55 HydrophobicContact CE1-CB 2.86Å
24L65Low51Low1 Ų175.2 Ų75.21%0.00542%0.424CS..Hα-helixtrans-66.2-30.4-172.8-75.1166.9000110.5Q26 C28 I48 Y49 C159 I161 F236 F253L24-Q26 VanDerWaalsContact C-N 3.26Å; L24-Q26 PolarHBondContact O-N 3.42Å; L24-C28 WeakPolarHBondContact O-CA 3.2Å; L24-C28 WeakPolarHBondContact O-CB 3.32Å; L24-C28 PolarHBondContact O-N 3.42Å; L24-C28 PolarHBondContact O-SG 2.86Å; L24-I48 HydrophobicContact CD1-CG2 4.1Å; L24-I48 HydrophobicContact CD2-CG2 4.37Å; L24-I48 HydrophobicContact CG-CG2 3.94Å; L24-Y49 WeakPolarHBondContact CG-O 3.49Å; L24-Y49 PolarHBondContact N-O 3.29Å; L24-C159 HydrophobicContact CD2-CB 4.17Å; L24-C159 VanDerWaalsContact CD2-SG 3.52Å; L24-I161 HydrophobicContact CD1-CD1 4.47Å; L24-I161 HydrophobicContact CD2-CD1 2.93Å; L24-I161 HydrophobicContact CD2-CG1 3.8Å; L24-I161 HydrophobicContact CG-CD1 4.08Å; L24-F236 HydrophobicContact CD1-CD1 4.24Å; L24-F253 HydrophobicContact CD1-CE1 4.1Å; L24-F253 HydrophobicContact CD1-CE2 3.78Å; L24-F253 HydrophobicContact CD1-CZ 3.18Å
25S58.2Low51.6Low5 Ų577 Ų774%0.03544%0.439CS..Hα-helixtrans-75.2-27-177.6640000111.4Y23 H29 S50 H51 P52Y23-S25 PolarHBondContact O-N 2.4Å; S25-H29 VanDerWaalsContact C-NE2 3.26Å; S25-H29 VanDerWaalsContact O-CB 3.26Å; S25-H29 WeakPolarHBondContact O-CB 3.49Å; S25-H29 CovalentContact O-CD2 1.61Å; S25-H29 PolarHBondContact O-CD2 3.25Å; S25-H29 PolarHBondContact O-CE1 3.14Å; S25-H29 PolarHBondContact O-ND1 2.77Å; S25-H29 PolarHBondContact O-NE2 2.96Å; S25-S50 PolarHBondContact N-O 2.6Å; S25-H51 VanDerWaalsContact CB-CD2 3.43Å; S25-H51 WeakPolarHBondContact CB-CD2 2.63Å; S25-P52 VanDerWaalsContact CB-CD 3.46Å; S25-P52 WeakPolarHBondContact OG-CD 3.31Å; S25-P52 WeakPolarHBondContact OG-CG 3.47Å
26Q60.4Low52.7Low122 Ų12276.9 Ų76.957%0.5743%0.433SS*.Hα-helixtrans-94.4-32.4-178.2-171.9173.42.600110Y23 L24 C28 P52Y23-Q26 PolarHBondContact O-N 2.9Å; L24-Q26 VanDerWaalsContact C-N 3.26Å; L24-Q26 PolarHBondContact O-N 3.42Å; Q26-C28 PolarHBondContact O-N 3.28Å; Q26-P52 HydrophobicContact CB-CG 4.26Å
27H62.3Low53.6Low75 Ų7573.4 Ų73.435%0.34741%0.408SS..Hα-helixtrans-93.7-9.7-170.3-68.8-66000109.8Y23 L39Y23-H27 AromaticContact CD2-NE2 4Å; Y23-H27 PolarHBondContact N-CD2 2.86Å; Y23-H27 PolarHBondContact N-NE2 3.38Å; Y23-H27 WeakPolarHBondContact O-CB 3.15Å; Y23-H27 PolarHBondContact O-CD2 3.41Å; Y23-H27 PolarHBondContact O-N 2.74Å; H27-L39 HydrophobicContact CB-CD1 4.24Å; H27-L39 HydrophobicContact CB-CD2 4.41Å
28C60.5Low54.9Low17 Ų1774.4 Ų74.412%0.11541%0.408CS..SBendtrans-114.90-179.2-73.80000109.3L24 Q26 K37 C159L24-C28 WeakPolarHBondContact O-CA 3.2Å; L24-C28 WeakPolarHBondContact O-CB 3.32Å; L24-C28 PolarHBondContact O-N 3.42Å; L24-C28 PolarHBondContact O-SG 2.86Å; Q26-C28 PolarHBondContact O-N 3.28Å; C28-K37 WeakPolarHBondContact O-CD 3.21Å; C28-C159 HydrophobicContact CB-CB 4.01Å; C28-C159 VanDerWaalsContact CB-SG 3.5Å; C28-C159 WeakPolarHBondContact SG-CB 3.18Å; C28-C159 CovalentContact SG-SG 2.1Å; C28-C159 PolarHBondContact SG-SG 3.28Å
29H54.7Low55.9Low106 Ų10674.6 Ų74.649%0.49140%0.401SS..  000-91.6-66.9000110.3S25 K37S25-H29 VanDerWaalsContact C-NE2 3.26Å; S25-H29 VanDerWaalsContact O-CB 3.26Å; S25-H29 WeakPolarHBondContact O-CB 3.49Å; S25-H29 CovalentContact O-CD2 1.61Å; S25-H29 PolarHBondContact O-CD2 3.25Å; S25-H29 PolarHBondContact O-CE1 3.14Å; S25-H29 PolarHBondContact O-ND1 2.77Å; S25-H29 PolarHBondContact O-NE2 2.96Å; H29-K37 PolarHBondContact O-NZ 2.91Å
30D48.7Very low56.4Low147 Ų14780.2 Ų80.279%0.78642%0.421SS*.  081.50-92.9-14.1000111.6
31I43.3Very low56.7Low100 Ų10079.5 Ų79.551%0.51341%0.414SS..  trans-78.3108.9154.3-61.1172.2000108.1G33I31-G33 PolarHBondContact O-N 3.04Å; I31-G33 VanDerWaalsContact O-N 3.11Å
32P41.1Very low56.9Low128 Ų12879 Ų7983%0.83141%0.41SS*.THydrogen-bonded Turntrans-44.10175.26.8-4.1000111.8
33G43Very low57.5Low86 Ų8677 Ų7789%0.88740%0.402SS*.THydrogen-bonded Turn0-5.3000000111.2I31I31-G33 PolarHBondContact O-N 3.04Å; I31-G33 VanDerWaalsContact O-N 3.11Å
34L45Very low57.8Low120 Ų12077.4 Ų77.463%0.62841%0.411SS*.  trans-124.4106175.8-114.8113000109.1I36L34-I36 WeakPolarHBondContact CD2-O 2.89Å
35T50.6Low58.3Low125 Ų12577.5 Ų77.577%0.76741%0.411SS*.SBendtrans-75.80-17651.20000110.3
36I55.2Low59.3Low64 Ų6477.3 Ų77.333%0.32841%0.41SS..  0121.10-62.2170.5000108.4L34 E160L34-I36 WeakPolarHBondContact CD2-O 2.89Å; I36-E160 HydrophobicContact CG2-CB 3.98Å; I36-E160 HydrophobicContact CG2-CG 3.38Å; I36-E160 VanDerWaalsContact CG2-OE1 3.31Å; I36-E160 WeakPolarHBondContact CG2-OE1 1.59Å; I36-E160 WeakPolarHBondContact CG2-OE2 1.69Å
37K57.3Low60.2Low40 Ų4071.5 Ų71.517%0.17438%0.383CS..EExtended strand (participates in β ladder)trans-105.4132.6175-79.2-167.3178.6-177.50109.9C28 H29 E160C28-K37 WeakPolarHBondContact O-CD 3.21Å; H29-K37 PolarHBondContact O-NZ 2.91Å; K37-E160 CarbonylContact C-O 3.43Å; K37-E160 CarbonylContact O-C 3.51Å; K37-E160 WeakPolarHBondContact O-CA 3.26Å; K37-E160 PolarHBondContact O-N 3.45Å
38R63.1Low61.1Low152 Ų15268 Ų6857%0.57437%0.367SS*.EExtended strand (participates in β ladder)trans-104.5116.7-178.2-65.9-179.2178.3173-0.2109.8Y40 E160 Y162R38-Y40 HydrophobicContact CB-CD2 4.4Å; R38-Y40 HydrophobicContact CB-CE2 3.59Å; R38-Y40 WeakPolarHBondContact CD-OH 3.41Å; R38-E160 CarbonylContact C-O 3.46Å; R38-E160 WeakPolarHBondContact CA-O 2.26Å; R38-E160 HydrophobicContact CG-CB 4.39Å; R38-E160 IonicContact NE-OE2 3.8Å; R38-Y162 HydrophobicContact CB-CD2 3.64Å; R38-Y162 HydrophobicContact CB-CE2 3.31Å; R38-Y162 HydrophobicContact CG-CD2 3.98Å; R38-Y162 HydrophobicContact CG-CE2 3.09Å; R38-Y162 PolarHBondContact NE-OH 3.28Å
39L64.1Low62.1Low36 Ų3667.4 Ų67.419%0.18836%0.362CS..EExtended strand (participates in β ladder)trans-100.40174.2-66.9164.3000109.9H27 E160 I161 Y162H27-L39 HydrophobicContact CB-CD1 4.24Å; H27-L39 HydrophobicContact CB-CD2 4.41Å; L39-E160 PolarHBondContact N-O 3.21Å; L39-I161 HydrophobicContact CB-CG1 4.41Å; L39-I161 HydrophobicContact CB-CG2 4.16Å; L39-I161 HydrophobicContact CD1-CG1 3.96Å; L39-I161 CarbonylContact O-C 3.53Å; L39-Y162 CarbonylContact O-C 2.83Å; L39-Y162 WeakPolarHBondContact O-CA 3.16Å; L39-Y162 WeakPolarHBondContact O-CB 3.19Å; L39-Y162 PolarHBondContact O-N 3.42Å
40Y65.9Low63.2Low153 Ų15362.4 Ų62.460%0.634%0.339SS*.EExtended strand (participates in β ladder)0123.90-66.7-90.7000109.4R38 Y162R38-Y40 HydrophobicContact CB-CD2 4.4Å; R38-Y40 HydrophobicContact CB-CE2 3.59Å; R38-Y40 WeakPolarHBondContact CD-OH 3.41Å; Y40-Y162 VanDerWaalsContact CA-O 3.24Å; Y40-Y162 WeakPolarHBondContact CA-O 1.67Å; Y40-Y162 VanDerWaalsContact CD1-CB 3.44Å; Y40-Y162 HydrophobicContact CD1-CD2 4.21Å; Y40-Y162 HydrophobicContact CD1-CG 4Å; Y40-Y162 HydrophobicContact CE1-CD1 4.23Å; Y40-Y162 AromaticContact CE1-CD2 3.67Å; Y40-Y162 HydrophobicContact CE1-CD2 3.67Å; Y40-Y162 HydrophobicContact CE1-CE2 4.43Å; Y40-Y162 AromaticContact CE1-CG 3.57Å; Y40-Y162 HydrophobicContact CE1-CG 3.57Å; Y40-Y162 HydrophobicContact CE2-CD2 4.18Å; Y40-Y162 AromaticContact CZ-CD2 3.64Å
41F68Low64.1Low18 Ų1856 Ų568%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-145.5152.617244.3-87.6000109.1Y22 L43 A46 I48 I161 Y162 V163 H164Y22-F41 HydrophobicContact CE1-CD1 4.49Å; Y22-F41 HydrophobicContact CE2-CD1 4.41Å; Y22-F41 HydrophobicContact CE2-CD2 4.23Å; Y22-F41 HydrophobicContact CE2-CE2 4.42Å; Y22-F41 HydrophobicContact CE2-CG 4.22Å; Y22-F41 WeakPolarHBondContact OH-CB 3.34Å; F41-L43 HydrophobicContact CD2-CD1 4.32Å; F41-L43 HydrophobicContact CE2-CD1 3.99Å; F41-A46 HydrophobicContact CE2-CB 4.15Å; F41-I48 HydrophobicContact CZ-CD1 4.03Å; F41-I161 HydrophobicContact CD1-CG2 4.22Å; F41-I161 HydrophobicContact CE1-CG2 3.09Å; F41-I161 HydrophobicContact CZ-CG2 3.58Å; F41-Y162 PolarHBondContact N-O 3.49Å; F41-Y162 VanDerWaalsContact N-O 3.13Å; F41-V163 HydrophobicContact CD2-CG1 4.01Å; F41-V163 HydrophobicContact CD2-CG2 4.24Å; F41-V163 HydrophobicContact CE1-CG2 3.63Å; F41-V163 HydrophobicContact CE2-CB 3.91Å; F41-V163 HydrophobicContact CE2-CG1 3.46Å; F41-V163 VanDerWaalsContact CE2-CG1 3.46Å; F41-V163 HydrophobicContact CE2-CG2 3.28Å; F41-V163 HydrophobicContact CZ-CB 4.01Å; F41-V163 HydrophobicContact CZ-CG1 4.09Å; F41-V163 HydrophobicContact CZ-CG2 2.9Å; F41-H164 PolarHBondContact O-N 2.6Å; F41-H164 VanDerWaalsContact O-O 3.14Å
42E64Low64.9Low65 Ų6552.6 Ų52.630%0.30429%0.289SS..EExtended strand (participates in β ladder)trans-86.1127176.1-166.1176.9171.700110.6H164 R166E42-H164 CarbonylContact C-O 2.99Å; E42-H164 WeakPolarHBondContact CA-O 3.22Å; E42-R166 HydrophobicContact CB-CG 3.86Å; E42-R166 CovalentContact CD-NE 1.38Å; E42-R166 VanDerWaalsContact CD-NH2 3.33Å; E42-R166 HydrophobicContact CG-CB 3.6Å; E42-R166 HydrophobicContact CG-CG 2.38Å; E42-R166 WeakPolarHBondContact OE1-CA 3.14Å; E42-R166 WeakPolarHBondContact OE1-CB 3.21Å; E42-R166 CovalentContact OE1-CD 0.77Å; E42-R166 WeakPolarHBondContact OE1-CD 3.23Å; E42-R166 CovalentContact OE1-CG 0.97Å; E42-R166 WeakPolarHBondContact OE1-CG 3.12Å; E42-R166 IonicContact OE1-CZ 3.88Å; E42-R166 IonicContact OE1-NE 3.69Å; E42-R166 PolarHBondContact OE1-NE 3.09Å; E42-R166 IonicContact OE1-NH1 2.33Å; E42-R166 PolarHBondContact OE1-NH1 2.79Å; E42-R166 IonicContact OE1-NH2 2.7Å; E42-R166 WeakPolarHBondContact OE2-CD 3.31Å; E42-R166 WeakPolarHBondContact OE2-CG 3.47Å; E42-R166 IonicContact OE2-CZ 3.33Å; E42-R166 CovalentContact OE2-NE 1.25Å; E42-R166 IonicContact OE2-NE 3.89Å; E42-R166 PolarHBondContact OE2-NE 3.07Å; E42-R166 IonicContact OE2-NH1 3.68Å; E42-R166 PolarHBondContact OE2-NH1 2.91Å; E42-R166 IonicContact OE2-NH2 3.42Å; E42-R166 PolarHBondContact OE2-NH2 3.21Å
43L74.4Confident66Low5 Ų550 Ų503%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-107.8120.4-163.3-176.377.9000109.4F41 A46 V163 H164 I171 L257F41-L43 HydrophobicContact CD2-CD1 4.32Å; F41-L43 HydrophobicContact CE2-CD1 3.99Å; L43-A46 HydrophobicContact CD1-CB 3.21Å; L43-V163 HydrophobicContact CB-CG1 3.78Å; L43-V163 HydrophobicContact CD1-CG1 4.26Å; L43-V163 HydrophobicContact CD2-CG1 3.92Å; L43-V163 HydrophobicContact CG-CG1 4.22Å; L43-H164 PolarHBondContact N-O 2.77Å; L43-I171 HydrophobicContact CD2-CB 4.45Å; L43-I171 HydrophobicContact CD2-CD1 4.38Å; L43-I171 HydrophobicContact CD2-CG1 4.12Å; L43-I171 HydrophobicContact CD2-CG2 3.6Å; L43-L257 HydrophobicContact CD1-CB 3.92Å; L43-L257 HydrophobicContact CD2-CB 3.86Å
44T69.8Low66.9Low61 Ų6146.1 Ų46.137%0.37422%0.223SC..SBendtrans-101.6-36.3154.949.20000110A259 L356T44-A259 PolarHBondContact O-N 3.36Å; T44-L356 VanDerWaalsContact O-CD1 3.24Å; T44-L356 WeakPolarHBondContact O-CD1 3.28Å
45G74Confident67.6Low2 Ų240.5 Ų40.52%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-170.90174.900000109.8I19 S20 L257I19-G45 VanDerWaalsContact CA-O 3.3Å; I19-G45 WeakPolarHBondContact CA-O 3.34Å; S20-G45 PolarHBondContact N-O 3.03Å; G45-L257 CarbonylContact C-O 3.5Å; G45-L257 VanDerWaalsContact CA-O 3.3Å; G45-L257 WeakPolarHBondContact CA-O 1.93Å
46A79.4Confident67.7Low1 Ų139.9 Ų39.91%0.00818%0.182CC..EExtended strand (participates in β ladder)0145.8000000109.3S20 Y22 F41 L43 L257S20-A46 WeakPolarHBondContact O-CA 3.25Å; Y22-A46 HydrophobicContact CD2-CB 4.32Å; Y22-A46 HydrophobicContact CE2-CB 4.13Å; F41-A46 HydrophobicContact CE2-CB 4.15Å; L43-A46 HydrophobicContact CD1-CB 3.21Å; A46-L257 PolarHBondContact N-O 2.74Å; A46-L257 PolarHBondContact O-N 3.22Å
47V80.2Confident67.7Low1 Ų139.5 Ų39.51%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-114.7126.5172.4-179.30000108.4I19 S20 I21 Y22 Y49 K254 L255 I361I19-V47 HydrophobicContact CG2-CG2 4.29Å; S20-V47 PolarHBondContact O-N 2.49Å; I21-V47 WeakPolarHBondContact CA-O 3.14Å; Y22-V47 PolarHBondContact N-O 3.4Å; V47-Y49 HydrophobicContact CB-CE2 4.15Å; V47-Y49 HydrophobicContact CG1-CD2 4.01Å; V47-Y49 HydrophobicContact CG1-CE1 4.21Å; V47-Y49 HydrophobicContact CG1-CE2 3.33Å; V47-Y49 VanDerWaalsContact CG1-CZ 3.45Å; V47-K254 HydrophobicContact CG1-CG 3.98Å; V47-L255 CarbonylContact C-O 3.53Å; V47-L255 VanDerWaalsContact CA-O 3.26Å; V47-L255 WeakPolarHBondContact CA-O 2.96Å; V47-I361 HydrophobicContact CG2-CD1 3.15Å; V47-I361 HydrophobicContact CG2-CG1 4.27Å; V47-I361 HydrophobicContact CG2-CG2 4.41Å
48I81.8Confident67.4Low0 Ų041.2 Ų41.20%019%0.186CC..EExtended strand (participates in β ladder)trans-111.9129.4-179.7-62.9174.9000108.8L24 F41 I161 I234 F253 L255 L257L24-I48 HydrophobicContact CD1-CG2 4.1Å; L24-I48 HydrophobicContact CD2-CG2 4.37Å; L24-I48 HydrophobicContact CG-CG2 3.94Å; F41-I48 HydrophobicContact CZ-CD1 4.03Å; I48-I161 HydrophobicContact CD1-CD1 4.24Å; I48-I161 HydrophobicContact CD1-CG2 4.39Å; I48-I161 HydrophobicContact CG2-CD1 4.18Å; I48-I234 HydrophobicContact CD1-CD1 3.95Å; I48-F253 HydrophobicContact CG2-CE2 4.48Å; I48-L255 HydrophobicContact CB-CB 4.21Å; I48-L255 PolarHBondContact N-O 2.87Å; I48-L255 PolarHBondContact O-N 3.35Å; I48-L257 HydrophobicContact CB-CD1 4.46Å; I48-L257 HydrophobicContact CD1-CD1 3.48Å; I48-L257 VanDerWaalsContact CD1-CD1 3.48Å; I48-L257 HydrophobicContact CD1-CD2 4.31Å; I48-L257 HydrophobicContact CG1-CD1 3.82Å
49Y80.6Confident67Low6 Ų637.1 Ų37.12%0.02418%0.176CC..EExtended strand (participates in β ladder)trans-112147.6175.8-66.5-85.7000109.1I21 Y22 Y23 L24 V47 A55 K254I21-Y49 HydrophobicContact CG2-CD2 3.63Å; I21-Y49 HydrophobicContact CG2-CE2 3.49Å; I21-Y49 VanDerWaalsContact CG2-CE2 3.49Å; Y22-Y49 PolarHBondContact O-N 3.1Å; Y23-Y49 HydrophobicContact CD1-CD2 4.37Å; Y23-Y49 HydrophobicContact CE1-CD2 4.09Å; Y23-Y49 HydrophobicContact CE1-CG 4.47Å; L24-Y49 WeakPolarHBondContact CG-O 3.49Å; L24-Y49 PolarHBondContact N-O 3.29Å; V47-Y49 HydrophobicContact CB-CE2 4.15Å; V47-Y49 HydrophobicContact CG1-CD2 4.01Å; V47-Y49 HydrophobicContact CG1-CE1 4.21Å; V47-Y49 HydrophobicContact CG1-CE2 3.33Å; V47-Y49 VanDerWaalsContact CG1-CZ 3.45Å; Y49-A55 HydrophobicContact CD1-CB 4.21Å; Y49-A55 HydrophobicContact CD2-CB 4.03Å; Y49-A55 HydrophobicContact CE1-CB 4.37Å; Y49-A55 HydrophobicContact CE2-CB 4.2Å; Y49-A55 HydrophobicContact CG-CB 4.03Å; Y49-K254 HydrophobicContact CD1-CB 4.27Å; Y49-K254 HydrophobicContact CD1-CG 4.13Å; Y49-K254 HydrophobicContact CE1-CB 4.15Å; Y49-K254 HydrophobicContact CE1-CD 3.67Å; Y49-K254 HydrophobicContact CE1-CG 3.64Å; Y49-K254 WeakPolarHBondContact OH-CE 3.01Å
50S77.4Confident66.1Low0 Ų038.4 Ų38.40%018%0.183CC..SBendtrans-71.1-27.1178.160.70000111.2S25 Y54 G252 F253S25-S50 PolarHBondContact N-O 2.6Å; S50-Y54 WeakPolarHBondContact OG-CD2 3.41Å; S50-Y54 WeakPolarHBondContact OG-CE2 3.36Å; S50-G252 WeakPolarHBondContact OG-CA 2.83Å; S50-F253 PolarHBondContact N-O 3.17Å; S50-F253 VanDerWaalsContact N-O 3.09Å; S50-F253 PolarHBondContact OG-N 3.07Å; S50-F253 VanDerWaalsContact OG-N 3.07Å
51H69Low64.8Low12 Ų1238.9 Ų38.96%0.05619%0.188CC..  trans-155.8142.2-177.4-166.7-80.1000109.2S25 K53 Y54 A55 N150S25-H51 VanDerWaalsContact CB-CD2 3.43Å; S25-H51 WeakPolarHBondContact CB-CD2 2.63Å; H51-K53 WeakPolarHBondContact ND1-CB 3.01Å; H51-K53 PolarHBondContact ND1-N 3.47Å; H51-K53 PolarHBondContact O-N 3.47Å; H51-Y54 VanDerWaalsContact CA-CD2 3.41Å; H51-Y54 HydrophobicContact CB-CD2 2.6Å; H51-Y54 HydrophobicContact CB-CE2 2.99Å; H51-Y54 HydrophobicContact CB-CG 3.83Å; H51-Y54 AromaticContact CG-CD2 3.74Å; H51-Y54 AromaticContact CG-CE2 3.88Å; H51-Y54 WeakPolarHBondContact O-CA 3.35Å; H51-Y54 WeakPolarHBondContact O-CB 2.35Å; H51-Y54 PolarHBondContact O-N 3.18Å; H51-A55 PolarHBondContact O-N 3.41Å; H51-N150 PolarHBondContact CE1-O 2.95Å; H51-N150 PolarHBondContact NE2-O 2.24Å
52P59.5Low63.5Low30 Ų3041.1 Ų41.120%0.19520%0.199CC..Hα-helixtrans-56.1-35.1-178.2-1922.5000111.9Y23 S25 Q26 Y54 A55 Q56Y23-P52 HydrophobicContact CD1-CB 3.8Å; Y23-P52 HydrophobicContact CD1-CG 4.15Å; Y23-P52 HydrophobicContact CE1-CB 4.27Å; Y23-P52 HydrophobicContact CG-CB 4.14Å; Y23-P52 HydrophobicContact CG-CG 4.14Å; S25-P52 VanDerWaalsContact CB-CD 3.46Å; S25-P52 WeakPolarHBondContact OG-CD 3.31Å; S25-P52 WeakPolarHBondContact OG-CG 3.47Å; Q26-P52 HydrophobicContact CB-CG 4.26Å; P52-Y54 PolarHBondContact O-N 2.83Å; P52-A55 WeakPolarHBondContact O-CB 3.38Å; P52-A55 PolarHBondContact O-N 3.05Å; P52-Q56 PolarHBondContact O-N 3.19Å
53K63.5Low62.1Low74 Ų7443.6 Ų43.632%0.32221%0.209SC..Hα-helixtrans-65.5-27.5176.7-161.7176.4174.6177.40111.5H51 A55 Q56 L57 S151H51-K53 WeakPolarHBondContact ND1-CB 3.01Å; H51-K53 PolarHBondContact ND1-N 3.47Å; H51-K53 PolarHBondContact O-N 3.47Å; K53-A55 PolarHBondContact O-N 2.82Å; K53-Q56 WeakPolarHBondContact O-CB 3.41Å; K53-Q56 PolarHBondContact O-N 3.01Å; K53-L57 HydrophobicContact CG-CD1 4.48Å; K53-L57 VanDerWaalsContact O-CG 3.32Å; K53-L57 WeakPolarHBondContact O-CG 3.34Å; K53-L57 PolarHBondContact O-N 3.1Å; K53-S151 VanDerWaalsContact CD-CA 3.49Å
54Y62.2Low60.2Low4 Ų448.7 Ų48.72%0.01624%0.236CC..Hα-helixtrans-72.4-26.7178.9-70.8-73.5000111S50 H51 P52 Q56 L57 Y58 Y153 E250 P251S50-Y54 WeakPolarHBondContact OG-CD2 3.41Å; S50-Y54 WeakPolarHBondContact OG-CE2 3.36Å; H51-Y54 VanDerWaalsContact CA-CD2 3.41Å; H51-Y54 HydrophobicContact CB-CD2 2.6Å; H51-Y54 HydrophobicContact CB-CE2 2.99Å; H51-Y54 HydrophobicContact CB-CG 3.83Å; H51-Y54 AromaticContact CG-CD2 3.74Å; H51-Y54 AromaticContact CG-CE2 3.88Å; H51-Y54 WeakPolarHBondContact O-CA 3.35Å; H51-Y54 WeakPolarHBondContact O-CB 2.35Å; H51-Y54 PolarHBondContact O-N 3.18Å; P52-Y54 PolarHBondContact O-N 2.83Å; Y54-Q56 VanDerWaalsContact C-N 3.27Å; Y54-L57 HydrophobicContact CD1-CD1 4.37Å; Y54-Y58 HydrophobicContact CD1-CE2 4.19Å; Y54-Y58 VanDerWaalsContact O-CB 3.25Å; Y54-Y58 WeakPolarHBondContact O-CB 3.41Å; Y54-Y58 WeakPolarHBondContact O-CD2 1.26Å; Y54-Y58 VanDerWaalsContact O-CG 3.3Å; Y54-Y58 PolarHBondContact O-N 2.79Å; Y54-Y153 HydrophobicContact CE2-CD2 4.12Å; Y54-Y153 AromaticContact CZ-CD2 3.91Å; Y54-Y153 WeakPolarHBondContact OH-CD2 2.75Å; Y54-E250 HydrophobicContact CD1-CG 4.35Å; Y54-E250 HydrophobicContact CE1-CB 4.41Å; Y54-E250 HydrophobicContact CE1-CG 3.58Å; Y54-P251 WeakPolarHBondContact CD1-O 2Å; Y54-P251 WeakPolarHBondContact CE1-O 2.99Å; Y54-P251 WeakPolarHBondContact CE2-O 1.7Å; Y54-P251 WeakPolarHBondContact OH-CB 3.45Å; Y54-P251 WeakPolarHBondContact OH-CG 2.4Å; Y54-P251 PolarHBondContact OH-O 1.46Å
55A58.8Low58.6Low1 Ų147.9 Ų47.91%0.00823%0.231CC..Hα-helixtrans-68.50173.700000111.4Y23 Y49 H51 P52 K53 Y58 D59Y23-A55 HydrophobicContact CD1-CB 3.86Å; Y23-A55 HydrophobicContact CE1-CB 2.86Å; Y49-A55 HydrophobicContact CD1-CB 4.21Å; Y49-A55 HydrophobicContact CD2-CB 4.03Å; Y49-A55 HydrophobicContact CE1-CB 4.37Å; Y49-A55 HydrophobicContact CE2-CB 4.2Å; Y49-A55 HydrophobicContact CG-CB 4.03Å; H51-A55 PolarHBondContact O-N 3.41Å; P52-A55 WeakPolarHBondContact O-CB 3.38Å; P52-A55 PolarHBondContact O-N 3.05Å; K53-A55 PolarHBondContact O-N 2.82Å; A55-Y58 PolarHBondContact O-N 1.89Å; A55-D59 VanDerWaalsContact O-CA 3.26Å; A55-D59 WeakPolarHBondContact O-CA 3.26Å; A55-D59 WeakPolarHBondContact O-CB 2.77Å; A55-D59 PolarHBondContact O-N 3.3Å
56Q54.1Low56.7Low113 Ų11352.3 Ų52.353%0.52825%0.251SS..Hα-helix0-35.70-73.3178.43.600110.7P52 K53 Y54 Y58 D59 N60P52-Q56 PolarHBondContact O-N 3.19Å; K53-Q56 WeakPolarHBondContact O-CB 3.41Å; K53-Q56 PolarHBondContact O-N 3.01Å; Y54-Q56 VanDerWaalsContact C-N 3.27Å; Q56-Y58 PolarHBondContact O-N 3.35Å; Q56-D59 PolarHBondContact O-N 3.16Å; Q56-N60 WeakPolarHBondContact CB-ND2 3.4Å; Q56-N60 WeakPolarHBondContact O-CA 2.7Å; Q56-N60 WeakPolarHBondContact O-CB 3.33Å; Q56-N60 PolarHBondContact O-N 3.16Å; Q56-N60 PolarHBondContact O-ND2 2.83Å; Q56-N60 VanDerWaalsContact O-ND2 3.1Å
57L54Low54.6Low55 Ų5559.1 Ų59.129%0.28828%0.283SS..Hα-helixtrans-68.2-29.5-178.1-76.3166.9000110.4K53 Y54 F61 E250K53-L57 HydrophobicContact CG-CD1 4.48Å; K53-L57 VanDerWaalsContact O-CG 3.32Å; K53-L57 WeakPolarHBondContact O-CG 3.34Å; K53-L57 PolarHBondContact O-N 3.1Å; Y54-L57 HydrophobicContact CD1-CD1 4.37Å; L57-F61 WeakPolarHBondContact O-CD2 3.07Å; L57-E250 HydrophobicContact CD1-CG 3.94Å; L57-E250 WeakPolarHBondContact CD1-OE1 3.03Å; L57-E250 WeakPolarHBondContact CD1-OE2 2.79Å; L57-E250 WeakPolarHBondContact CG-OE2 3.03Å
58Y51.4Low52.5Low76 Ų7662.7 Ų62.730%0.29831%0.308SS..Hα-helixtrans-98.70-172.7-77.7-70.3000110.5Y54 A55 Q56Y54-Y58 HydrophobicContact CD1-CE2 4.19Å; Y54-Y58 VanDerWaalsContact O-CB 3.25Å; Y54-Y58 WeakPolarHBondContact O-CB 3.41Å; Y54-Y58 WeakPolarHBondContact O-CD2 1.26Å; Y54-Y58 VanDerWaalsContact O-CG 3.3Å; Y54-Y58 PolarHBondContact O-N 2.79Å; A55-Y58 PolarHBondContact O-N 1.89Å; Q56-Y58 PolarHBondContact O-N 3.35Å
59D55.9Low50.3Low67 Ų6768.1 Ų68.136%0.35834%0.337SS..Hα-helix000-76.2-17000110.3A55 Q56 H62A55-D59 VanDerWaalsContact O-CA 3.26Å; A55-D59 WeakPolarHBondContact O-CA 3.26Å; A55-D59 WeakPolarHBondContact O-CB 2.77Å; A55-D59 PolarHBondContact O-N 3.3Å; Q56-D59 PolarHBondContact O-N 3.16Å; D59-H62 PolarHBondContact O-N 3.28Å
60N43.6Very low48Very low63 Ų6372.1 Ų72.134%0.33737%0.366SS..THydrogen-bonded Turn050-80.9-18000110Q56 H62 K63Q56-N60 WeakPolarHBondContact CB-ND2 3.4Å; Q56-N60 WeakPolarHBondContact O-CA 2.7Å; Q56-N60 WeakPolarHBondContact O-CB 3.33Å; Q56-N60 PolarHBondContact O-N 3.16Å; Q56-N60 PolarHBondContact O-ND2 2.83Å; Q56-N60 VanDerWaalsContact O-ND2 3.1Å; N60-H62 PolarHBondContact O-N 2.89Å; N60-K63 PolarHBondContact O-N 3.31Å
61F39.5Very low45.8Very low162 Ų16281.4 Ų81.471%0.71141%0.406SS*.THydrogen-bonded Turntrans-73.37.2166.6-94.8-83000110.6L57L57-F61 WeakPolarHBondContact O-CD2 3.07Å
62H39.3Very low43.8Very low66 Ų6685.3 Ų85.331%0.30644%0.435SS..THydrogen-bonded Turntrans-119-7.5-179.4-92.4-64.9000111.1D59 N60 T395 P396D59-H62 PolarHBondContact O-N 3.28Å; N60-H62 PolarHBondContact O-N 2.89Å; H62-T395 WeakPolarHBondContact CE1-CA 2.84Å; H62-P396 HydrophobicContact CB-CG 3.35Å; H62-P396 VanDerWaalsContact CD2-CG 3.41Å; H62-P396 WeakPolarHBondContact CD2-CG 3.45Å; H62-P396 CovalentContact CE1-CD 1.59Å; H62-P396 WeakPolarHBondContact CE1-CD 3.37Å; H62-P396 WeakPolarHBondContact CE1-CG 3.19Å; H62-P396 WeakPolarHBondContact ND1-CB 3.16Å; H62-P396 CovalentContact ND1-CD 1.69Å; H62-P396 WeakPolarHBondContact ND1-CD 3.42Å; H62-P396 CovalentContact ND1-CG 1.67Å; H62-P396 WeakPolarHBondContact ND1-CG 3.24Å; H62-P396 WeakPolarHBondContact NE2-CD 3.09Å; H62-P396 WeakPolarHBondContact NE2-CG 2.98Å
63K35.1Very low42.4Very low116 Ų11691.2 Ų91.250%0.50447%0.465SS..Hα-helixtrans-97.3-5.5179-98.4-179.1-176.4-178.20110.4N60 V65N60-K63 PolarHBondContact O-N 3.31Å; K63-V65 PolarHBondContact O-N 3.46Å
64N34.4Very low40.8Very low112 Ų11293.9 Ų93.960%0.59949%0.487SS*.Hα-helixtrans-102.65.1177.1-77.8-24.7000110.7S68N64-S68 PolarHBondContact O-OG 3.46Å
65V37Very low39.3Very low45 Ų45103.9 Ų103.927%0.27353%0.531SS..Hα-helixtrans-100.6-4175.1175.30000109.2K63 S68K63-V65 PolarHBondContact O-N 3.46Å; V65-S68 PolarHBondContact O-OG 3.02Å; V65-S68 VanDerWaalsContact O-OG 3.06Å
66H34Very low38Very low94 Ų94112.8 Ų112.844%0.43557%0.569SS.*Hα-helixtrans-111.2-3176.8-82.5-63.6000110.3S68H66-S68 VanDerWaalsContact C-N 3.3Å
67Q35.9Very low36.9Very low145 Ų145116 Ų11668%0.67859%0.585SS**Hα-helixtrans-97.5-4.4168.1-118171.57.900110.5
68S34.7Very low35.8Very low76 Ų76120.9 Ų120.953%0.53161%0.611SS.*Hα-helixtrans-104.2017560.30000110.6N64 V65 H66N64-S68 PolarHBondContact O-OG 3.46Å; V65-S68 PolarHBondContact O-OG 3.02Å; V65-S68 VanDerWaalsContact O-OG 3.06Å; H66-S68 VanDerWaalsContact C-N 3.3Å
69N35.4Very low34.9Very low113 Ų113125.1 Ų125.160%0.60464%0.638SS**SBend019.10-79.4-11.2000110.5
70S32.5Very low33.8Very low91 Ų91131.6 Ų131.664%0.63666%0.664SS**SBendtrans-124.5017173.50000109.7
71K31.1Very low33.3Very low195 Ų195134.9 Ų134.985%0.84869%0.686SS**SBend0470-95.5-179.4-177.5174.60109.7
72S28.5Very low32.9Very low94 Ų94132.7 Ų132.766%0.65769%0.691SS**  trans-135.760167.391.50000109.6
73N29.1Very low32.7Very low154 Ų154136.4 Ų136.482%0.82471%0.711SS**  trans-147.364151.7-80.7-15.2000109.6
74V31Very low32.7Very low130 Ų130136.9 Ų136.979%0.78872%0.72SS**  trans-144.70154.4177.70000108.1K76V74-K76 VanDerWaalsContact C-N 3.34Å
75F29Very low32.6Very low213 Ų213139.6 Ų139.693%0.93473%0.728SS**  000-109.1-85.3000109.9Q77F75-Q77 VanDerWaalsContact C-N 3.34Å
76K31.9Very low32.4Very low188 Ų188143.9 Ų143.982%0.81776%0.757SS**  093.30-100.2-177.7-176.8178.90111.5V74 N78V74-K76 VanDerWaalsContact C-N 3.34Å; K76-N78 PolarHBondContact O-N 3Å
77Q32.3Very low32.5Very low182 Ų182148.4 Ų148.485%0.8578%0.775SS**  -280.2126.3-101.6-178.2-2.400111.7F75F75-Q77 VanDerWaalsContact C-N 3.34Å
78N31Very low32.4Very low156 Ų156150.2 Ų150.283%0.83478%0.781SS**  trans-147.176146.1-85-6.9000109.7K76 K80K76-N78 PolarHBondContact O-N 3Å; N78-K80 VanDerWaalsContact C-N 3.31Å
79N32.6Very low32.3Very low165 Ų165150.8 Ų150.888%0.88279%0.785SS**  trans-64.485.3146.9-80.6-13.4000111.4
80K32.6Very low32.2Very low204 Ų204152 Ų15289%0.88779%0.792SS**  trans-70.890.7151.8-111.5176.9-177.5173.70110.3N78N78-K80 VanDerWaalsContact C-N 3.31Å
81T33.2Very low32.3Very low132 Ų132157 Ų15781%0.8180%0.802SS**  trans-76.789145.439.50000110.6
82S31.3Very low32.3Very low116 Ų116155.3 Ų155.381%0.81180%0.801SS**  trans-80.1100.4154.770.90000110.4
83I35.1Very low32.6Very low143 Ų143154.8 Ų154.873%0.73380%0.796SS**  trans-104.3100.1154.2-63.9174.4000108.9
84N34Very low32.7Very low127 Ų127151.9 Ų151.968%0.67979%0.788SS**  trans170.7104130.1-82.8-18000109.6
85H31.9Very low32.7Very low168 Ų168154.4 Ų154.478%0.77879%0.788SS**  1030111.5-78.7-62.2000110
86P34.2Very low32.6Very low135 Ų135152.9 Ų152.988%0.87778%0.781SS**  00032.7-5.4000111.7
87K34.7Very low32.5Very low189 Ų189150.5 Ų150.582%0.82278%0.782SS**  0106.80-94.4-176.8-177.5178.60111.5
88K34.4Very low32.2Very low183 Ų183147.6 Ų147.680%0.79678%0.777SS**  121.2111.5111.5-104.4-179.5-177.2178.10109.7
89S32.7Very low32Very low89 Ų89145.5 Ų145.562%0.62277%0.77SS**  110.9110.294.870.90000109.9
90N34.3Very low31.9Very low139 Ų139144.2 Ų144.274%0.74376%0.763SS**  152.3103.2114.5-84.2-7.9000109.5
91K33.9Very low31.6Very low194 Ų194142.3 Ų142.384%0.84376%0.757SS**  9897.4105.4-108.4178.2-176.5179.80110
92L31Very low31.4Very low160 Ų160141 Ų14184%0.83875%0.749SS**  48.5152109-121.1103.6000110.7
93P34.2Very low31.4Very low84 Ų84142.5 Ų142.555%0.54575%0.748SS.*  cis177.9144.9-3.234.6-5.7000112.1
94S30.8Very low31Very low93 Ų93145 Ų14565%0.6575%0.754SS**  112.9113.2112.567.50000109.9
95K32.2Very low31Very low183 Ų183143.2 Ų143.280%0.79675%0.749SS**  121.1111.9105.6-111.7178.1-175.5178.60109.8
96F26.1Very low31Very low180 Ų180143.5 Ų143.579%0.78975%0.751SS**  66.5115.1105.4-81.8-81.1000110.1
97V30.3Very low30.5Very low138 Ų138141.3 Ų141.384%0.83674%0.739SS**  trans175.70131.1175.60000108
98T26.6Very low30.4Very low121 Ų121143 Ų14374%0.74274%0.741SS**  0124.3016.40000111.4
99V26.7Very low30.4Very low112 Ų112139.9 Ų139.968%0.67974%0.738SS**  117.8118117.5179.80000108.5
100D29.2Very low30.1Very low139 Ų139140 Ų14074%0.74374%0.739SS**  147.70119-97.3-13.8000109.4
101E27.6Very low30.1Very low163 Ų163141.8 Ų141.876%0.76274%0.742SS**  0112.30-107.5-176173.600111.5
102T27.6Very low29.9Very low104 Ų104139.4 Ų139.464%0.63874%0.739SS**  103.6113.7119.340.10000109.5
103N32.1Very low30Very low148 Ų148143.1 Ų143.179%0.79174%0.744SS**  1620128.1-84.2-17.2000109.7
104F26.2Very low29.7Very low196 Ų196149.4 Ų149.486%0.8676%0.756SS**  0155.70-100.7-85.9000111.1
105P34.6Very low29.6Very low89 Ų89151.1 Ų151.158%0.57875%0.754SS**  cis-178.1142.616.933.6-4.7000112.1
106Q31.8Very low29.6Very low175 Ų175149 Ų14982%0.81875%0.751SS**  140110.9125.6-98179-9.300109.5
107S24Very low29.7Very low89 Ų89149 Ų14962%0.62275%0.753SS**  43.1117.1107.6700000111.3
108Y32.5Very low29.9Very low223 Ų223149 Ų14988%0.87575%0.754SS**  trans-152.30135.4-85-81.9000109.2
109T33Very low29.9Very low119 Ų119150.5 Ų150.573%0.7376%0.757SS**  0120.2038.40000111
110S27.5Very low30Very low91 Ų91150.5 Ų150.564%0.63676%0.762SS**  68.511697.41010000110.9
111H34.8Very low30Very low177 Ų177149.8 Ų149.882%0.81976%0.763SS**  -167.40127-92.9-63000109.3
112N28.8Very low30.1Very low144 Ų144148.3 Ų148.377%0.7776%0.764SS**  0112.60-82.8-17.8000111.8
113Y33.6Very low30.1Very low238 Ų238150.8 Ų150.893%0.93377%0.772SS**  -167.40129.7-108.8-87.9000109
114R27.8Very low30Very low216 Ų216149.1 Ų149.182%0.81577%0.768SS**  0122.60-120.7-176.5173.8174.70.1111.8
115E29.1Very low30Very low129 Ų129145.3 Ų145.360%0.60376%0.76SS**  114.7118.9107.2-97-177.617800109.9
116N31.5Very low29.9Very low138 Ų138147.7 Ų147.774%0.73877%0.774SS**  155.50113.2-80.2-15.7000109.7
117H28.6Very low29.8Very low179 Ų179145.1 Ų145.183%0.82977%0.77SS**  0111.30-94.2-62000111.7
118V33.4Very low30.1Very low140 Ų140146.6 Ų146.685%0.84878%0.775SS**  trans-167.50140.3177.80000107.9
119N27.8Very low30.2Very low152 Ų152145.1 Ų145.181%0.81377%0.774SS**  0119.20-81.4-7.5000112
120S28.8Very low30.2Very low111 Ų111146.9 Ų146.978%0.77678%0.778SS**  146.2107.2129.8-1340000109.4
121T28.3Very low30.4Very low124 Ų124149.8 Ų149.876%0.76179%0.785SS**  43.4115116.4-4.80000110.9
122V29.8Very low30.3Very low132 Ų132151 Ų15180%0.879%0.788SS**  trans1630133.5177.40000107.7
123I27.7Very low30.6Very low156 Ų156153.3 Ų153.380%0.879%0.794SS**  0112.20-57.8176.2000109.9
124T30.4Very low30.4Very low114 Ų114146.5 Ų146.570%0.69978%0.782SS**  trans174.4104.6131.3-15.80000108.9
125T26.9Very low31Very low115 Ų115143.1 Ų143.171%0.70678%0.778SS**  58102.3112.922.60000110.6
126T32Very low31.2Very low139 Ų139145.1 Ų145.185%0.85379%0.787SS**  trans-165.80137.4280000108.9
127T28.7Very low31.1Very low121 Ų121144.8 Ų144.874%0.74279%0.791SS**  0107.7038.60000111.2
128T31.6Very low31.1Very low120 Ų120143.3 Ų143.374%0.73679%0.794SS**  152.995.2125.634.70000108.8
129K34.6Very low30.9Very low193 Ų193142.3 Ų142.384%0.83979%0.789SS**  165.40122.6-85.5-173.6-178.2179.90109.5
130L32.9Very low31.3Very low156 Ų156141 Ų14182%0.81778%0.781SS**  000-102.1147.1000110.4
131L30.9Very low31.5Very low152 Ų152142.1 Ų142.180%0.79678%0.779SS**  0990-123.9121000110.6
132K34.1Very low31.9Very low203 Ų203142.9 Ų142.988%0.88378%0.778SS**  trans-149.588.2142.7-105.9178.6-177.7-177.90109.6
133Q33.6Very low32.2Very low191 Ų191141.5 Ų141.589%0.89377%0.766SS**  1500117-140.6169.93.500109.5
134S30.9Very low32.6Very low96 Ų96141 Ų14167%0.67176%0.76SS**  0105.4057.60000111.7
135I39Very low32.7Very low145 Ų145141.3 Ų141.374%0.74476%0.757SS**  trans178.10132.2-65.3173.1000107.8
136E33.5Very low33.1Very low170 Ų170142.1 Ų142.179%0.79475%0.753SS**SBend085.70-91.4-179.3-178.900109.5
137T29.6Very low33.5Very low132 Ų132141.1 Ų141.181%0.8174%0.742SS**  161.474.2112.533.60000108.9T139T137-T139 PolarHBondContact O-N 3.01Å
138V28.9Very low34.1Very low147 Ų147143.3 Ų143.389%0.89174%0.742SS**  trans-29.90136.8-178.20000110.4
139T29.5Very low34.5Very low120 Ų120144.2 Ų144.274%0.73674%0.741SS**SBend00034.80000108.8T137T137-T139 PolarHBondContact O-N 3.01Å
140N35.1Very low35.3Very low124 Ų124139.6 Ų139.666%0.66373%0.726SS**SBend037.40-110.7-5.6000109.8
141D34.1Very low36.2Very low134 Ų134134.5 Ų134.572%0.71770%0.703SS**SBendtrans-117.70178.7-80.8-16.3000109.5
142N36.6Very low37.6Very low140 Ų140133.5 Ų133.575%0.74969%0.693SS**Hα-helix000-81.1-13.2000110.5
143N35.1Very low39.2Very low103 Ų103124.1 Ų124.155%0.55165%0.652SS**Hα-helix0-2.70-88-11.7000110.3N147N143-N147 WeakPolarHBondContact O-CB 2.76Å; N143-N147 VanDerWaalsContact O-CG 3.28Å; N143-N147 PolarHBondContact O-ND2 1.35Å; N143-N147 VanDerWaalsContact O-ND2 3.09Å
144Q35.9Very low40.8Very low145 Ų145115.7 Ų115.768%0.67861%0.613SS**Hα-helixtrans-107.3-11.6178-83.9-154.35.700110K148Q144-K148 WeakPolarHBondContact O-CB 3.11Å; Q144-K148 PolarHBondContact O-N 2.77Å
145L32.9Very low42.7Very low122 Ų122113.5 Ų113.564%0.63960%0.596SS**Hα-helixtrans-98.50174.4-156.978.1000110.2
146E36.6Very low44.3Very low131 Ų131112.6 Ų112.661%0.61259%0.593SS**Hα-helix0-6.10-104.3-176.9176.300110.7N150E146-N150 VanDerWaalsContact O-CG 3.25Å; E146-N150 PolarHBondContact O-ND2 3.08Å
147N40.4Very low46.1Very low118 Ų118106.2 Ų106.263%0.63156%0.562SS**Hα-helixtrans-105.20175.6-84.8-15.6000110.5N143N143-N147 WeakPolarHBondContact O-CB 2.76Å; N143-N147 VanDerWaalsContact O-CG 3.28Å; N143-N147 PolarHBondContact O-ND2 1.35Å; N143-N147 VanDerWaalsContact O-ND2 3.09Å
148K39.4Very low48.4Very low168 Ų168101.1 Ų101.173%0.7353%0.532SS*.Hα-helix000-126.5-179.9-179.1-177.80110.1Q144Q144-K148 WeakPolarHBondContact O-CB 3.11Å; Q144-K148 PolarHBondContact O-N 2.77Å
149L41.4Very low50.8Low139 Ų13994.1 Ų94.173%0.72849%0.49SS*.THydrogen-bonded Turn000-107.1119.2000110
150N50.8Low53.4Low95 Ų9589.4 Ų89.451%0.50846%0.459SS..THydrogen-bonded Turn000-91.2-9000110.1H51 E146H51-N150 PolarHBondContact CE1-O 2.95Å; H51-N150 PolarHBondContact NE2-O 2.24Å; E146-N150 VanDerWaalsContact O-CG 3.25Å; E146-N150 PolarHBondContact O-ND2 3.08Å
151S51.2Low55.8Low49 Ų4983.6 Ų83.634%0.34343%0.428SS..SBend03.9066.80000110.3K53K53-S151 VanDerWaalsContact CD-CA 3.49Å
152K61.9Low58.2Low132 Ų13277.9 Ų77.957%0.57440%0.397SS*.SBendtrans-1010-172-166.8172179.6178.70109.2
153Y66.5Low60.5Low6 Ų671.3 Ų71.32%0.02436%0.362CS..  000-170.1-103.5000111.2Y54 V155 I180 P181 F236 S238 F241 P251Y54-Y153 HydrophobicContact CE2-CD2 4.12Å; Y54-Y153 AromaticContact CZ-CD2 3.91Å; Y54-Y153 WeakPolarHBondContact OH-CD2 2.75Å; Y153-V155 PolarHBondContact O-N 2.75Å; Y153-I180 WeakPolarHBondContact OH-CG2 3.36Å; Y153-P181 HydrophobicContact CD1-CG 4.39Å; Y153-P181 HydrophobicContact CE1-CG 4.26Å; Y153-F236 HydrophobicContact CE1-CZ 4.19Å; Y153-F236 HydrophobicContact CE2-CZ 4.44Å; Y153-F236 AromaticContact CZ-CZ 3.64Å; Y153-F236 WeakPolarHBondContact OH-CE2 3.32Å; Y153-F236 WeakPolarHBondContact OH-CZ 3.14Å; Y153-S238 WeakPolarHBondContact CE1-OG 3.11Å; Y153-F241 HydrophobicContact CD1-CD2 4.25Å; Y153-P251 HydrophobicContact CD2-CB 3.24Å; Y153-P251 HydrophobicContact CD2-CG 3.7Å; Y153-P251 HydrophobicContact CE2-CB 3.69Å; Y153-P251 HydrophobicContact CG-CB 3.73Å; Y153-P251 HydrophobicContact CG-CG 3.88Å
154P66.5Low62.9Low13 Ų1370.9 Ų70.98%0.08436%0.356CS..  00021.5-23.8000111.7F157 F236 S238P154-F157 HydrophobicContact CB-CD1 3.06Å; P154-F157 HydrophobicContact CB-CE1 2.75Å; P154-F157 HydrophobicContact CB-CE2 4.34Å; P154-F157 HydrophobicContact CB-CG 3.99Å; P154-F157 HydrophobicContact CB-CZ 3.49Å; P154-F157 VanDerWaalsContact CB-CZ 3.49Å; P154-F157 HydrophobicContact CG-CD1 3.83Å; P154-F157 HydrophobicContact CG-CE1 2.91Å; P154-F157 HydrophobicContact CG-CE2 4.35Å; P154-F157 HydrophobicContact CG-CZ 3.25Å; P154-F157 WeakPolarHBondContact O-CD1 2.9Å; P154-F157 WeakPolarHBondContact O-CE1 2.95Å; P154-F236 HydrophobicContact CG-CE1 4.41Å; P154-S238 VanDerWaalsContact O-CB 3.32Å; P154-S238 WeakPolarHBondContact O-CB 3.5Å; P154-S238 PolarHBondContact O-OG 3.47Å
155V71.4Confident65.1Low50 Ų5064 Ų6430%0.30332%0.324SS..  0148.60-70.40000108.4Y153 F157 F241Y153-V155 PolarHBondContact O-N 2.75Å; V155-F157 PolarHBondContact O-N 2.45Å; V155-F241 HydrophobicContact CG1-CB 3.3Å; V155-F241 HydrophobicContact CG1-CG 4.34Å
156N71.9Confident66.8Low127 Ų12766.6 Ų66.668%0.67933%0.325SS*.SBendtrans66.542.5177.6-69.2-24.1000111.5S238 T239N156-S238 CarbonylContact C-O 3.59Å; N156-S238 VanDerWaalsContact C-O 3.26Å; N156-S238 WeakPolarHBondContact CA-O 3.4Å; N156-S238 PolarHBondContact N-O 2.75Å; N156-T239 WeakPolarHBondContact OD1-CA 3.43Å; N156-T239 PolarHBondContact OD1-O 2.62Å
157F72.6Confident68.2Low35 Ų3564.9 Ų64.915%0.15432%0.324CS..EExtended strand (participates in β ladder)trans-136.5142.3179.378.2-89.8000109.1P154 V155 C159 F236 S238P154-F157 HydrophobicContact CB-CD1 3.06Å; P154-F157 HydrophobicContact CB-CE1 2.75Å; P154-F157 HydrophobicContact CB-CE2 4.34Å; P154-F157 HydrophobicContact CB-CG 3.99Å; P154-F157 HydrophobicContact CB-CZ 3.49Å; P154-F157 VanDerWaalsContact CB-CZ 3.49Å; P154-F157 HydrophobicContact CG-CD1 3.83Å; P154-F157 HydrophobicContact CG-CE1 2.91Å; P154-F157 HydrophobicContact CG-CE2 4.35Å; P154-F157 HydrophobicContact CG-CZ 3.25Å; P154-F157 WeakPolarHBondContact O-CD1 2.9Å; P154-F157 WeakPolarHBondContact O-CE1 2.95Å; V155-F157 PolarHBondContact O-N 2.45Å; F157-C159 HydrophobicContact CE2-CB 4.49Å; F157-F236 HydrophobicContact CD1-CE1 4.21Å; F157-F236 AromaticContact CD2-CD1 3.91Å; F157-F236 HydrophobicContact CD2-CD1 3.91Å; F157-F236 AromaticContact CD2-CE1 3.99Å; F157-F236 HydrophobicContact CD2-CE1 3.99Å; F157-F236 AromaticContact CE1-CD1 3.96Å; F157-F236 HydrophobicContact CE1-CD1 3.96Å; F157-F236 AromaticContact CE1-CE1 3.04Å; F157-F236 HydrophobicContact CE1-CE1 3.04Å; F157-F236 AromaticContact CE1-CZ 3.76Å; F157-F236 HydrophobicContact CE1-CZ 3.76Å; F157-F236 AromaticContact CE2-CD1 2.68Å; F157-F236 HydrophobicContact CE2-CD1 2.68Å; F157-F236 AromaticContact CE2-CE1 2.72Å; F157-F236 HydrophobicContact CE2-CE1 2.72Å; F157-F236 AromaticContact CE2-CG 3.99Å; F157-F236 HydrophobicContact CE2-CG 3.99Å; F157-F236 HydrophobicContact CE2-CZ 4.05Å; F157-F236 AromaticContact CZ-CD1 2.73Å; F157-F236 HydrophobicContact CZ-CD1 2.73Å; F157-F236 AromaticContact CZ-CE1 2.03Å; F157-F236 HydrophobicContact CZ-CE1 2.03Å; F157-F236 HydrophobicContact CZ-CE2 4.37Å; F157-F236 HydrophobicContact CZ-CG 4.07Å; F157-F236 AromaticContact CZ-CZ 3.15Å; F157-F236 HydrophobicContact CZ-CZ 3.15Å; F157-S238 PolarHBondContact N-O 2.82Å; F157-S238 PolarHBondContact O-N 3.31Å
158S76.9Confident69.5Low26 Ų2667.2 Ų67.218%0.18234%0.336CS..EExtended strand (participates in β ladder)trans-123.5132.5175.5179.80000109.8F236S158-F236 CarbonylContact C-O 3.59Å; S158-F236 WeakPolarHBondContact CA-O 3.47Å
159C79.9Confident71.4Confident0 Ų059.4 Ų59.40%030%0.303CS..EExtended strand (participates in β ladder)trans-134.6126.4-176.6-172.70000108.7L24 C28 F157 V235 F236L24-C159 HydrophobicContact CD2-CB 4.17Å; L24-C159 VanDerWaalsContact CD2-SG 3.52Å; C28-C159 HydrophobicContact CB-CB 4.01Å; C28-C159 VanDerWaalsContact CB-SG 3.5Å; C28-C159 WeakPolarHBondContact SG-CB 3.18Å; C28-C159 CovalentContact SG-SG 2.1Å; C28-C159 PolarHBondContact SG-SG 3.28Å; F157-C159 HydrophobicContact CE2-CB 4.49Å; C159-V235 CarbonylContact O-C 3.54Å; C159-V235 WeakPolarHBondContact O-CA 3.32Å; C159-F236 PolarHBondContact N-O 3.42Å; C159-F236 PolarHBondContact O-N 3.15Å
160E84.7Confident73.7Confident20 Ų2056.6 Ų56.69%0.09328%0.283CS..EExtended strand (participates in β ladder)trans-108.8126.7172.4-64.7179.5-179.300110.6I36 K37 R38 L39 Y162 I234 V235I36-E160 HydrophobicContact CG2-CB 3.98Å; I36-E160 HydrophobicContact CG2-CG 3.38Å; I36-E160 VanDerWaalsContact CG2-OE1 3.31Å; I36-E160 WeakPolarHBondContact CG2-OE1 1.59Å; I36-E160 WeakPolarHBondContact CG2-OE2 1.69Å; K37-E160 CarbonylContact C-O 3.43Å; K37-E160 CarbonylContact O-C 3.51Å; K37-E160 WeakPolarHBondContact O-CA 3.26Å; K37-E160 PolarHBondContact O-N 3.45Å; R38-E160 CarbonylContact C-O 3.46Å; R38-E160 WeakPolarHBondContact CA-O 2.26Å; R38-E160 HydrophobicContact CG-CB 4.39Å; R38-E160 IonicContact NE-OE2 3.8Å; L39-E160 PolarHBondContact N-O 3.21Å; E160-Y162 HydrophobicContact CB-CE2 4.01Å; E160-Y162 PolarHBondContact OE2-OH 3.19Å; E160-I234 CarbonylContact C-O 3.18Å; E160-I234 WeakPolarHBondContact CA-O 3.16Å; E160-V235 HydrophobicContact CG-CG1 4.18Å; E160-V235 HydrophobicContact CG-CG2 3.96Å
161I84.6Confident75.4Confident3 Ų352.1 Ų52.12%0.01526%0.258CS..EExtended strand (participates in β ladder)trans-116.1122.3-177.3-58.2168000107.8L24 L39 F41 I48 V163 T233 I234L24-I161 HydrophobicContact CD1-CD1 4.47Å; L24-I161 HydrophobicContact CD2-CD1 2.93Å; L24-I161 HydrophobicContact CD2-CG1 3.8Å; L24-I161 HydrophobicContact CG-CD1 4.08Å; L39-I161 HydrophobicContact CB-CG1 4.41Å; L39-I161 HydrophobicContact CB-CG2 4.16Å; L39-I161 HydrophobicContact CD1-CG1 3.96Å; L39-I161 CarbonylContact O-C 3.53Å; F41-I161 HydrophobicContact CD1-CG2 4.22Å; F41-I161 HydrophobicContact CE1-CG2 3.09Å; F41-I161 HydrophobicContact CZ-CG2 3.58Å; I48-I161 HydrophobicContact CD1-CD1 4.24Å; I48-I161 HydrophobicContact CD1-CG2 4.39Å; I48-I161 HydrophobicContact CG2-CD1 4.18Å; I161-V163 HydrophobicContact CG2-CG2 3.83Å; I161-T233 CarbonylContact O-C 3.6Å; I161-T233 VanDerWaalsContact O-CA 3.25Å; I161-T233 WeakPolarHBondContact O-CA 3.42Å; I161-I234 HydrophobicContact CB-CB 4.11Å; I161-I234 PolarHBondContact N-O 1.61Å; I161-I234 PolarHBondContact O-N 2.17Å
162Y85.3Confident77.3Confident13 Ų1349.9 Ų49.95%0.05124%0.243CC..EExtended strand (participates in β ladder)trans-104.8124176.6-60.8-91.6000110.6R38 L39 Y40 F41 E160 N199 T233R38-Y162 HydrophobicContact CB-CD2 3.64Å; R38-Y162 HydrophobicContact CB-CE2 3.31Å; R38-Y162 HydrophobicContact CG-CD2 3.98Å; R38-Y162 HydrophobicContact CG-CE2 3.09Å; R38-Y162 PolarHBondContact NE-OH 3.28Å; L39-Y162 CarbonylContact O-C 2.83Å; L39-Y162 WeakPolarHBondContact O-CA 3.16Å; L39-Y162 WeakPolarHBondContact O-CB 3.19Å; L39-Y162 PolarHBondContact O-N 3.42Å; Y40-Y162 VanDerWaalsContact CA-O 3.24Å; Y40-Y162 WeakPolarHBondContact CA-O 1.67Å; Y40-Y162 VanDerWaalsContact CD1-CB 3.44Å; Y40-Y162 HydrophobicContact CD1-CD2 4.21Å; Y40-Y162 HydrophobicContact CD1-CG 4Å; Y40-Y162 HydrophobicContact CE1-CD1 4.23Å; Y40-Y162 AromaticContact CE1-CD2 3.67Å; Y40-Y162 HydrophobicContact CE1-CD2 3.67Å; Y40-Y162 HydrophobicContact CE1-CE2 4.43Å; Y40-Y162 AromaticContact CE1-CG 3.57Å; Y40-Y162 HydrophobicContact CE1-CG 3.57Å; Y40-Y162 HydrophobicContact CE2-CD2 4.18Å; Y40-Y162 AromaticContact CZ-CD2 3.64Å; F41-Y162 PolarHBondContact N-O 3.49Å; F41-Y162 VanDerWaalsContact N-O 3.13Å; E160-Y162 HydrophobicContact CB-CE2 4.01Å; E160-Y162 PolarHBondContact OE2-OH 3.19Å; Y162-N199 WeakPolarHBondContact CD1-O 3.37Å; Y162-N199 WeakPolarHBondContact CE1-O 3.19Å; Y162-T233 HydrophobicContact CD1-CG2 3.97Å; Y162-T233 WeakPolarHBondContact CD1-OG1 3.24Å; Y162-T233 HydrophobicContact CE1-CG2 3.8Å
163V85.2Confident78.7Confident3 Ų343.6 Ų43.62%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-119.50-175.9-178.80000107.8F41 L43 I161 I171 F231 V232 L257F41-V163 HydrophobicContact CD2-CG1 4.01Å; F41-V163 HydrophobicContact CD2-CG2 4.24Å; F41-V163 HydrophobicContact CE1-CG2 3.63Å; F41-V163 HydrophobicContact CE2-CB 3.91Å; F41-V163 HydrophobicContact CE2-CG1 3.46Å; F41-V163 VanDerWaalsContact CE2-CG1 3.46Å; F41-V163 HydrophobicContact CE2-CG2 3.28Å; F41-V163 HydrophobicContact CZ-CB 4.01Å; F41-V163 HydrophobicContact CZ-CG1 4.09Å; F41-V163 HydrophobicContact CZ-CG2 2.9Å; L43-V163 HydrophobicContact CB-CG1 3.78Å; L43-V163 HydrophobicContact CD1-CG1 4.26Å; L43-V163 HydrophobicContact CD2-CG1 3.92Å; L43-V163 HydrophobicContact CG-CG1 4.22Å; I161-V163 HydrophobicContact CG2-CG2 3.83Å; V163-I171 HydrophobicContact CB-CD1 4.39Å; V163-I171 HydrophobicContact CG1-CD1 3.88Å; V163-F231 CarbonylContact O-C 3.6Å; V163-F231 WeakPolarHBondContact O-CA 3.33Å; V163-V232 HydrophobicContact CB-CG1 3.51Å; V163-V232 HydrophobicContact CG1-CG1 4.19Å; V163-V232 HydrophobicContact CG2-CG1 4.06Å; V163-V232 PolarHBondContact N-O 3.31Å; V163-V232 PolarHBondContact O-N 3.46Å; V163-L257 HydrophobicContact CB-CD2 4.34Å; V163-L257 HydrophobicContact CG1-CD2 4.16Å; V163-L257 HydrophobicContact CG2-CD2 3.85Å
164H85.1Confident79.7Confident93 Ų9347.3 Ų47.343%0.43123%0.229SC..EExtended strand (participates in β ladder)0136.50-179.3-98.3000110.1F41 E42 L43 S230F41-H164 PolarHBondContact O-N 2.6Å; F41-H164 VanDerWaalsContact O-O 3.14Å; E42-H164 CarbonylContact C-O 2.99Å; E42-H164 WeakPolarHBondContact CA-O 3.22Å; L43-H164 PolarHBondContact N-O 2.77Å; H164-S230 CarbonylContact C-O 3.45Å; H164-S230 VanDerWaalsContact CA-O 3.32Å; H164-S230 WeakPolarHBondContact CA-O 3.29Å
165S81.3Confident80.7Confident1 Ų147.3 Ų47.31%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-95.5130.4175.8172.10000109.4V167 S169 S230S165-V167 PolarHBondContact O-N 2.91Å; S165-V167 PolarHBondContact OG-O 3.4Å; S165-S169 WeakPolarHBondContact CB-OG 3.09Å; S165-S169 PolarHBondContact OG-OG 3.1Å; S165-S230 PolarHBondContact N-O 3.44Å
166R68.8Low81.2Confident176 Ų17649.1 Ų49.166%0.66423%0.233SC*.SBendtrans-62.80-174.7-78.9-171.7-178.7173.24.2110.7E42E42-R166 HydrophobicContact CB-CG 3.86Å; E42-R166 CovalentContact CD-NE 1.38Å; E42-R166 VanDerWaalsContact CD-NH2 3.33Å; E42-R166 HydrophobicContact CG-CB 3.6Å; E42-R166 HydrophobicContact CG-CG 2.38Å; E42-R166 WeakPolarHBondContact OE1-CA 3.14Å; E42-R166 WeakPolarHBondContact OE1-CB 3.21Å; E42-R166 CovalentContact OE1-CD 0.77Å; E42-R166 WeakPolarHBondContact OE1-CD 3.23Å; E42-R166 CovalentContact OE1-CG 0.97Å; E42-R166 WeakPolarHBondContact OE1-CG 3.12Å; E42-R166 IonicContact OE1-CZ 3.88Å; E42-R166 IonicContact OE1-NE 3.69Å; E42-R166 PolarHBondContact OE1-NE 3.09Å; E42-R166 IonicContact OE1-NH1 2.33Å; E42-R166 PolarHBondContact OE1-NH1 2.79Å; E42-R166 IonicContact OE1-NH2 2.7Å; E42-R166 WeakPolarHBondContact OE2-CD 3.31Å; E42-R166 WeakPolarHBondContact OE2-CG 3.47Å; E42-R166 IonicContact OE2-CZ 3.33Å; E42-R166 CovalentContact OE2-NE 1.25Å; E42-R166 IonicContact OE2-NE 3.89Å; E42-R166 PolarHBondContact OE2-NE 3.07Å; E42-R166 IonicContact OE2-NH1 3.68Å; E42-R166 PolarHBondContact OE2-NH1 2.91Å; E42-R166 IonicContact OE2-NH2 3.42Å; E42-R166 PolarHBondContact OE2-NH2 3.21Å
167V65.4Low81.5Confident96 Ų9643.9 Ų43.958%0.58221%0.206SC*.SBend000-170.30000108.1S165 S169S165-V167 PolarHBondContact O-N 2.91Å; S165-V167 PolarHBondContact OG-O 3.4Å; V167-S169 WeakPolarHBondContact O-CA 3.39Å; V167-S169 WeakPolarHBondContact O-CB 3.47Å; V167-S169 CovalentContact O-N 1.7Å; V167-S169 PolarHBondContact O-N 2.68Å; V167-S169 PolarHBondContact O-OG 2.73Å
168N67.9Low82.2Confident166 Ų16642.8 Ų42.889%0.88820%0.202SC*.SBend046.40-73.5-15.9000111.7
169S80.4Confident82.5Confident5 Ų542.8 Ų42.84%0.03520%0.198CC..  trans-103.6140.5179.956.70000109.1S165 V167 S230 I260S165-S169 WeakPolarHBondContact CB-OG 3.09Å; S165-S169 PolarHBondContact OG-OG 3.1Å; V167-S169 WeakPolarHBondContact O-CA 3.39Å; V167-S169 WeakPolarHBondContact O-CB 3.47Å; V167-S169 CovalentContact O-N 1.7Å; V167-S169 PolarHBondContact O-N 2.68Å; V167-S169 PolarHBondContact O-OG 2.73Å; S169-S230 WeakPolarHBondContact O-CA 3.01Å; S169-S230 WeakPolarHBondContact O-CB 3.08Å; S169-I260 CarbonylContact C-O 3.51Å; S169-I260 WeakPolarHBondContact CA-O 2.58Å; S169-I260 WeakPolarHBondContact CB-O 2.96Å
170R88.3Confident82.7Confident80 Ų8042.8 Ų42.830%0.30220%0.198SC..EExtended strand (participates in β ladder)trans-72.5161.2175.2-65.8-171.1-65.8173.61.3111T227 A259 I260 D262R170-T227 WeakPolarHBondContact CB-O 3.41Å; R170-T227 WeakPolarHBondContact CD-O 2.99Å; R170-T227 WeakPolarHBondContact CG-O 3.2Å; R170-A259 CarbonylContact O-C 3.58Å; R170-I260 HydrophobicContact CB-CD1 4.34Å; R170-I260 HydrophobicContact CB-CG1 3.91Å; R170-I260 PolarHBondContact N-O 2.68Å; R170-I260 VanDerWaalsContact O-CG1 3.24Å; R170-I260 WeakPolarHBondContact O-CG1 3.26Å; R170-I260 PolarHBondContact O-N 3.5Å; R170-D262 VanDerWaalsContact CZ-CG 3.43Å; R170-D262 IonicContact CZ-OD1 3.16Å; R170-D262 IonicContact CZ-OD2 1.77Å; R170-D262 VanDerWaalsContact CZ-OD2 3.3Å; R170-D262 IonicContact NE-OD1 2.04Å; R170-D262 PolarHBondContact NE-OD1 2.02Å; R170-D262 VanDerWaalsContact NE-OD1 3.16Å; R170-D262 IonicContact NE-OD2 2.77Å; R170-D262 PolarHBondContact NE-OD2 2.74Å; R170-D262 IonicContact NH1-OD1 2.69Å; R170-D262 CovalentContact NH2-OD1 1.77Å; R170-D262 IonicContact NH2-OD1 3.91Å; R170-D262 PolarHBondContact NH2-OD1 3.15Å; R170-D262 IonicContact NH2-OD2 3.16Å; R170-D262 PolarHBondContact NH2-OD2 2.83Å
171I87.8Confident82.3Confident0 Ų042.2 Ų42.20%020%0.196CC..EExtended strand (participates in β ladder)trans-113.4127.3-175.2-63.2172.1000107.5L43 V163 I173 T227 S230 V232 L257 T258L43-I171 HydrophobicContact CD2-CB 4.45Å; L43-I171 HydrophobicContact CD2-CD1 4.38Å; L43-I171 HydrophobicContact CD2-CG1 4.12Å; L43-I171 HydrophobicContact CD2-CG2 3.6Å; V163-I171 HydrophobicContact CB-CD1 4.39Å; V163-I171 HydrophobicContact CG1-CD1 3.88Å; I171-I173 HydrophobicContact CG2-CG1 4.23Å; I171-T227 WeakPolarHBondContact CA-OG1 3.02Å; I171-T227 HydrophobicContact CB-CG2 3.96Å; I171-T227 PolarHBondContact N-OG1 2.3Å; I171-T227 WeakPolarHBondContact O-CG2 3.37Å; I171-T227 PolarHBondContact O-N 3.31Å; I171-T227 PolarHBondContact O-OG1 3.34Å; I171-S230 WeakPolarHBondContact CD1-O 3.5Å; I171-V232 HydrophobicContact CD1-CB 4.35Å; I171-V232 HydrophobicContact CD1-CG1 3.79Å; I171-V232 HydrophobicContact CG2-CG1 4.23Å; I171-L257 HydrophobicContact CG2-CB 4.42Å; I171-L257 HydrophobicContact CG2-CD2 4.4Å; I171-T258 CarbonylContact C-O 3.48Å; I171-T258 WeakPolarHBondContact CA-O 3.49Å
172M90Very high81.9Confident2 Ų242.9 Ų42.91%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-98.1133.9173.7-179.4-167.571.300110.7P224 I225 F226 L257 T258 I260 Y350 H363M172-P224 HydrophobicContact CG-CB 3.79Å; M172-P224 HydrophobicContact SD-CB 4.08Å; M172-I225 CarbonylContact C-O 3.54Å; M172-I225 WeakPolarHBondContact CA-O 3.44Å; M172-F226 HydrophobicContact CB-CD1 3.89Å; M172-F226 HydrophobicContact CB-CE1 3.76Å; M172-F226 HydrophobicContact CG-CD1 3.92Å; M172-F226 HydrophobicContact CG-CE1 3.46Å; M172-F226 VanDerWaalsContact CG-CE1 3.46Å; M172-F226 HydrophobicContact CG-CZ 3.92Å; M172-F226 HydrophobicContact SD-CE1 3.82Å; M172-F226 HydrophobicContact SD-CZ 4.04Å; M172-L257 CarbonylContact O-C 3.56Å; M172-L257 VanDerWaalsContact O-CA 3.29Å; M172-L257 WeakPolarHBondContact O-CA 3.27Å; M172-T258 PolarHBondContact N-O 3.46Å; M172-T258 PolarHBondContact O-N 3.41Å; M172-I260 HydrophobicContact CB-CD1 4Å; M172-I260 HydrophobicContact CB-CG1 4.37Å; M172-I260 HydrophobicContact CB-CG2 3.77Å; M172-Y350 HydrophobicContact SD-CE2 4.04Å; M172-H363 WeakPolarHBondContact CE-O 3.12Å
173I91.1Very high81.1Confident0 Ų047.1 Ų47.10%022%0.221CC..EExtended strand (participates in β ladder)trans-120.2129.2-179.3-58.7164.6000107.8I171 F175 L195 P224 I225 T227 V232 I256 L257I171-I173 HydrophobicContact CG2-CG1 4.23Å; I173-F175 HydrophobicContact CG2-CE2 4.25Å; I173-L195 HydrophobicContact CB-CD2 4.37Å; I173-L195 HydrophobicContact CD1-CD2 3.32Å; I173-L195 HydrophobicContact CG1-CD2 4.43Å; I173-L195 HydrophobicContact CG2-CD2 3.98Å; I173-P224 CarbonylContact O-C 3.51Å; I173-P224 WeakPolarHBondContact O-CA 3.12Å; I173-I225 HydrophobicContact CB-CB 4.36Å; I173-I225 PolarHBondContact N-O 2.85Å; I173-I225 PolarHBondContact O-N 2.69Å; I173-T227 HydrophobicContact CD1-CG2 4.36Å; I173-V232 HydrophobicContact CD1-CB 4.37Å; I173-V232 HydrophobicContact CD1-CG1 4.37Å; I173-V232 HydrophobicContact CD1-CG2 3.61Å; I173-I256 WeakPolarHBondContact CA-O 2.57Å; I173-L257 HydrophobicContact CG1-CD2 4.46Å; I173-L257 HydrophobicContact CG1-CG 4.26Å
174R88.3Confident80.2Confident85 Ų8551.2 Ų51.232%0.32124%0.24SC..EExtended strand (participates in β ladder)trans-126.20179.3-173.5177.9168.1175.6-1.4109L255 I256R174-L255 WeakPolarHBondContact O-CA 2.96Å; R174-I256 HydrophobicContact CB-CB 4.24Å; R174-I256 PolarHBondContact N-O 3.32Å; R174-I256 PolarHBondContact O-N 3.48Å
175F88.2Confident79Confident13 Ų1353.4 Ų53.46%0.05725%0.25CS..EExtended strand (participates in β ladder)0122.10-67.6-98.6000109.6I173 F178 L193 L195 L215 F220 P221 I225 L255I173-F175 HydrophobicContact CG2-CE2 4.25Å; F175-F178 HydrophobicContact CD1-CD2 4.05Å; F175-F178 HydrophobicContact CE1-CD2 4.27Å; F175-F178 HydrophobicContact CE1-CE2 4.5Å; F175-L193 HydrophobicContact CE1-CD2 3.78Å; F175-L193 HydrophobicContact CZ-CD2 4.38Å; F175-L195 HydrophobicContact CZ-CD1 3.92Å; F175-L195 HydrophobicContact CZ-CD2 4.28Å; F175-L215 HydrophobicContact CE1-CD1 3.72Å; F175-L215 HydrophobicContact CE2-CD1 4.39Å; F175-L215 HydrophobicContact CZ-CD1 3.51Å; F175-F220 HydrophobicContact CB-CB 4.35Å; F175-F220 HydrophobicContact CB-CD2 3.41Å; F175-F220 VanDerWaalsContact CB-CD2 3.41Å; F175-F220 HydrophobicContact CB-CE2 4Å; F175-F220 HydrophobicContact CB-CG 4.14Å; F175-F220 HydrophobicContact CD1-CB 4.3Å; F175-F220 HydrophobicContact CG-CB 4.29Å; F175-F220 HydrophobicContact CG-CD2 4.2Å; F175-P221 HydrophobicContact CD2-CG 4.5Å; F175-P221 HydrophobicContact CE2-CG 4.23Å; F175-I225 HydrophobicContact CE2-CD1 3.55Å; F175-I225 HydrophobicContact CE2-CG1 4.44Å; F175-I225 HydrophobicContact CZ-CD1 4.29Å; F175-L255 HydrophobicContact CD1-CD2 3.01Å; F175-L255 HydrophobicContact CD2-CD2 4.42Å; F175-L255 HydrophobicContact CE1-CD2 2.98Å; F175-L255 HydrophobicContact CE1-CG 4.4Å; F175-L255 HydrophobicContact CE2-CD2 4.4Å; F175-L255 HydrophobicContact CG-CD2 3.78Å; F175-L255 HydrophobicContact CZ-CD2 3.75Å
176Q81.1Confident78Confident88 Ų8860 Ų6041%0.41128%0.284SS..EExtended strand (participates in β ladder)trans-97.1-38.6179-1711720.400110.4K254Q176-K254 HydrophobicContact CB-CB 4.23Å; Q176-K254 HydrophobicContact CB-CD 3.96Å; Q176-K254 HydrophobicContact CB-CG 4.2Å; Q176-K254 HydrophobicContact CG-CD 4.23Å; Q176-K254 PolarHBondContact N-O 3.36Å
177S79.3Confident77.9Confident16 Ų1655.5 Ų55.511%0.11227%0.273CS..EExtended strand (participates in β ladder)trans-146.8140.417864.70000109.1F253 K254S177-F253 CarbonylContact O-C 3.57Å; S177-F253 WeakPolarHBondContact O-CA 2.96Å; S177-F253 WeakPolarHBondContact O-CB 3.22Å; S177-K254 PolarHBondContact O-N 2.91Å; S177-K254 VanDerWaalsContact OG-CB 3.26Å; S177-K254 WeakPolarHBondContact OG-CB 2.88Å; S177-K254 PolarHBondContact OG-N 2.92Å
178F86.1Confident78.1Confident13 Ų1351.3 Ų51.36%0.05725%0.248CC..EExtended strand (participates in β ladder)trans-155119-173.7-179.1-92.7000108.9F175 I180 L193 L215 Q217 H219 F220 G252 F253F175-F178 HydrophobicContact CD1-CD2 4.05Å; F175-F178 HydrophobicContact CE1-CD2 4.27Å; F175-F178 HydrophobicContact CE1-CE2 4.5Å; F178-I180 HydrophobicContact CE1-CD1 4.49Å; F178-I180 HydrophobicContact CE1-CG1 4.43Å; F178-I180 HydrophobicContact CE2-CD1 3.52Å; F178-I180 HydrophobicContact CE2-CG1 4.01Å; F178-I180 HydrophobicContact CZ-CB 4.35Å; F178-I180 HydrophobicContact CZ-CD1 3.5Å; F178-I180 VanDerWaalsContact CZ-CD1 3.5Å; F178-I180 HydrophobicContact CZ-CG1 3.87Å; F178-L193 HydrophobicContact CE2-CB 4.35Å; F178-L193 HydrophobicContact CE2-CD2 3.78Å; F178-L215 HydrophobicContact CE1-CB 4.08Å; F178-L215 HydrophobicContact CE2-CB 3.95Å; F178-L215 HydrophobicContact CZ-CB 3.35Å; F178-Q217 VanDerWaalsContact CD1-O 3.29Å; F178-Q217 WeakPolarHBondContact CD1-O 2.63Å; F178-Q217 WeakPolarHBondContact CE1-O 2.82Å; F178-H219 WeakPolarHBondContact CE1-O 2.87Å; F178-F220 HydrophobicContact CB-CB 3.79Å; F178-F220 HydrophobicContact CB-CD1 3.27Å; F178-F220 HydrophobicContact CB-CD2 4.4Å; F178-F220 HydrophobicContact CB-CE1 3.89Å; F178-F220 HydrophobicContact CB-CG 3.57Å; F178-F220 HydrophobicContact CD1-CB 3.79Å; F178-F220 AromaticContact CD1-CD1 3.95Å; F178-F220 HydrophobicContact CD1-CD1 3.95Å; F178-F220 HydrophobicContact CD1-CG 4.29Å; F178-F220 HydrophobicContact CD2-CB 4.37Å; F178-F220 HydrophobicContact CE1-CB 4.47Å; F178-F220 HydrophobicContact CG-CB 3.74Å; F178-F220 AromaticContact CG-CD1 3.96Å; F178-F220 HydrophobicContact CG-CD1 3.96Å; F178-F220 HydrophobicContact CG-CG 4.1Å; F178-G252 CarbonylContact C-O 3.28Å; F178-F253 HydrophobicContact CB-CB 4.44Å; F178-F253 HydrophobicContact CD2-CB 3.59Å; F178-F253 HydrophobicContact CD2-CG 4.33Å; F178-F253 HydrophobicContact CE2-CB 4.27Å; F178-F253 HydrophobicContact CG-CB 4.35Å
179Y84.4Confident78.1Confident25 Ų2547.1 Ų47.110%0.09823%0.226CC..EExtended strand (participates in β ladder)trans-153.1112.7169.2177.8-108.5000108.9Q217 H218 S245 I249 P251 G252Y179-Q217 WeakPolarHBondContact CA-O 2.84Å; Y179-H218 HydrophobicContact CD2-CB 4.37Å; Y179-S245 WeakPolarHBondContact OH-CB 3.49Å; Y179-S245 PolarHBondContact OH-OG 2.56Å; Y179-S245 VanDerWaalsContact OH-OG 3.1Å; Y179-I249 HydrophobicContact CD1-CB 4.47Å; Y179-I249 HydrophobicContact CD1-CG2 3.95Å; Y179-I249 HydrophobicContact CD2-CG2 4.05Å; Y179-I249 HydrophobicContact CE1-CG2 4.49Å; Y179-I249 HydrophobicContact CG-CG2 3.71Å; Y179-P251 HydrophobicContact CD1-CB 3.97Å; Y179-P251 HydrophobicContact CE1-CB 4.26Å; Y179-P251 CarbonylContact O-C 3.54Å; Y179-P251 WeakPolarHBondContact O-CA 3.32Å; Y179-G252 PolarHBondContact N-O 3.09Å; Y179-G252 PolarHBondContact O-N 3.1Å
180I82.9Confident77.6Confident0 Ų049 Ų490%023%0.234CC..BIsolated β-bridgetrans-120.4118.6175-64.6177.3000108.4Y153 F178 S182 N191 L193 Q217 F236 F253Y153-I180 WeakPolarHBondContact OH-CG2 3.36Å; F178-I180 HydrophobicContact CE1-CD1 4.49Å; F178-I180 HydrophobicContact CE1-CG1 4.43Å; F178-I180 HydrophobicContact CE2-CD1 3.52Å; F178-I180 HydrophobicContact CE2-CG1 4.01Å; F178-I180 HydrophobicContact CZ-CB 4.35Å; F178-I180 HydrophobicContact CZ-CD1 3.5Å; F178-I180 VanDerWaalsContact CZ-CD1 3.5Å; F178-I180 HydrophobicContact CZ-CG1 3.87Å; I180-S182 PolarHBondContact O-N 2.69Å; I180-N191 HydrophobicContact CG2-CB 3.37Å; I180-L193 HydrophobicContact CD1-CB 3.83Å; I180-Q217 PolarHBondContact N-O 2.83Å; I180-Q217 WeakPolarHBondContact O-CA 2.73Å; I180-Q217 PolarHBondContact O-N 2.57Å; I180-F236 HydrophobicContact CD1-CD2 4.22Å; I180-F236 HydrophobicContact CD1-CE2 3.8Å; I180-F236 HydrophobicContact CG1-CE2 4.4Å; I180-F236 HydrophobicContact CG2-CE2 4.48Å; I180-F253 HydrophobicContact CD1-CD1 3.85Å; I180-F253 HydrophobicContact CD1-CE1 4.17Å; I180-F253 HydrophobicContact CG1-CD1 4.09Å
181P76.5Confident77Confident8 Ų845.3 Ų45.35%0.05222%0.22CC..  trans-67.80-177.321.6-23.7000111.7Y153 N191 F241 P251Y153-P181 HydrophobicContact CD1-CG 4.39Å; Y153-P181 HydrophobicContact CE1-CG 4.26Å; P181-N191 WeakPolarHBondContact O-CB 3.26Å; P181-N191 PolarHBondContact O-ND2 2.41Å; P181-F241 HydrophobicContact CG-CD2 4.07Å; P181-F241 HydrophobicContact CG-CE2 4.06Å; P181-P251 HydrophobicContact CG-CB 3.95Å
182S76.1Confident76.8Confident17 Ų1747 Ų4712%0.11923%0.227CC..  0141.70175.80000109.4I180 Q184 L187I180-S182 PolarHBondContact O-N 2.69Å; S182-Q184 PolarHBondContact O-N 3.09Å; S182-Q184 PolarHBondContact OG-N 3.09Å; S182-Q184 PolarHBondContact OG-O 2.72Å; S182-L187 PolarHBondContact OG-O 3.2Å
183Q68.2Low76.8Confident103 Ų10347 Ų4748%0.48123%0.227SC..SBendtrans-68.4-28.4-178.1-72.3-178.5-7.800110.8E190Q183-E190 WeakPolarHBondContact CG-OE2 2.87Å; Q183-E190 PolarHBondContact NE2-OE2 2.56Å; Q183-E190 PolarHBondContact OE1-OE1 3.46Å; Q183-E190 PolarHBondContact OE1-OE2 3.17Å
184Q66.8Low76.8Confident89 Ų8949 Ų4942%0.41624%0.235SC..SBendtrans-109.20-178.3-71.2178.7-6.100110.5S182 L186 L187 D189 Q217S182-Q184 PolarHBondContact O-N 3.09Å; S182-Q184 PolarHBondContact OG-N 3.09Å; S182-Q184 PolarHBondContact OG-O 2.72Å; Q184-L186 PolarHBondContact O-N 3.32Å; Q184-L187 HydrophobicContact CB-CB 4.23Å; Q184-L187 VanDerWaalsContact CB-O 3.31Å; Q184-L187 WeakPolarHBondContact CB-O 2.88Å; Q184-D189 PolarHBondContact OE1-OD2 3.23Å; Q184-Q217 PolarHBondContact O-NE2 3.29Å
185H60.5Low76.9Confident138 Ų13845 Ų4564%0.63922%0.22SC*.SBend000-147.6-83.6000110.6Q217H185-Q217 PolarHBondContact O-NE2 3.44Å; H185-Q217 VanDerWaalsContact O-NE2 3.11Å; H185-Q217 PolarHBondContact O-OE1 1.35Å; H185-Q217 VanDerWaalsContact O-OE1 3.07Å
186L60.9Low77.1Confident139 Ų13945.4 Ų45.473%0.72822%0.221SC*.SBend0-10.50-91.4121.3000109.9Q184Q184-L186 PolarHBondContact O-N 3.32Å
187L64.8Low77.5Confident82 Ų8243 Ų4343%0.42921%0.211SC..  trans-131.30179.5-82.8136.9000110S182 Q184 D189S182-L187 PolarHBondContact OG-O 3.2Å; Q184-L187 HydrophobicContact CB-CB 4.23Å; Q184-L187 VanDerWaalsContact CB-O 3.31Å; Q184-L187 WeakPolarHBondContact CB-O 2.88Å; L187-D189 PolarHBondContact O-N 3.23Å; L187-D189 VanDerWaalsContact O-N 3.09Å
188C71.3Confident77.8Confident9 Ų942.3 Ų42.36%0.06121%0.207CC..  072.90-64.70000110.2R213 L215 C216C188-R213 WeakPolarHBondContact CB-O 3.46Å; C188-L215 VanDerWaalsContact SG-C 3.57Å; C188-C216 WeakPolarHBondContact CA-SG 3.46Å; C188-C216 HydrophobicContact CB-CB 3.39Å; C188-C216 WeakPolarHBondContact CB-SG 3.26Å; C188-C216 WeakPolarHBondContact SG-CA 3.17Å; C188-C216 WeakPolarHBondContact SG-CB 2.88Å; C188-C216 PolarHBondContact SG-N 2.74Å; C188-C216 CovalentContact SG-SG 1.46Å; C188-C216 PolarHBondContact SG-SG 3.49Å
189D68Low77.7Confident77 Ų7746.1 Ų46.141%0.41223%0.228SC..SBendtrans-92.8-18.2-170.6-69.6-15.4000110.5Q184 L187Q184-D189 PolarHBondContact OE1-OD2 3.23Å; L187-D189 PolarHBondContact O-N 3.23Å; L187-D189 VanDerWaalsContact O-N 3.09Å
190E69.2Low77.4Confident46 Ų4646.7 Ų46.722%0.21523%0.234CC..SBendtrans-113.4-38.5-171.9-67.2-176.7176.800110.2Q183 T239 T240Q183-E190 WeakPolarHBondContact CG-OE2 2.87Å; Q183-E190 PolarHBondContact NE2-OE2 2.56Å; Q183-E190 PolarHBondContact OE1-OE1 3.46Å; Q183-E190 PolarHBondContact OE1-OE2 3.17Å; E190-T239 WeakPolarHBondContact CB-OG1 3.28Å; E190-T239 PolarHBondContact O-OG1 3.33Å; E190-T239 VanDerWaalsContact O-OG1 3.09Å; E190-T240 PolarHBondContact OE2-OG1 3.18Å; E190-T240 VanDerWaalsContact OE2-OG1 3.09Å
191N75.6Confident77.1Confident2 Ų248.7 Ų48.71%0.01125%0.247CC..SBendtrans-128.2115.1176.1-61.6-45.2000109.9I180 P181 C216 R237 S238 T239 T240I180-N191 HydrophobicContact CG2-CB 3.37Å; P181-N191 WeakPolarHBondContact O-CB 3.26Å; P181-N191 PolarHBondContact O-ND2 2.41Å; N191-C216 VanDerWaalsContact O-CB 3.3Å; N191-C216 WeakPolarHBondContact O-CB 3.23Å; N191-R237 CarbonylContact C-O 3.53Å; N191-R237 WeakPolarHBondContact CA-O 3.13Å; N191-S238 VanDerWaalsContact OD1-C 3.31Å; N191-S238 WeakPolarHBondContact OD1-CA 3.02Å; N191-S238 PolarHBondContact OD1-OG 2.89Å; N191-T239 PolarHBondContact OD1-N 2.66Å; N191-T240 PolarHBondContact ND2-O 3.06Å
192Y84.4Confident76.7Confident36 Ų3656.5 Ų56.514%0.14128%0.283CS..EExtended strand (participates in β ladder)trans-144.5154.4-176.350.5-95.2000109.6Y194 R237Y192-Y194 HydrophobicContact CD1-CE2 4.32Å; Y192-Y194 AromaticContact CD2-CD2 2.9Å; Y192-Y194 HydrophobicContact CD2-CD2 2.9Å; Y192-Y194 AromaticContact CD2-CE2 2.83Å; Y192-Y194 HydrophobicContact CD2-CE2 2.83Å; Y192-Y194 HydrophobicContact CD2-CG 4.11Å; Y192-Y194 AromaticContact CE2-CD2 3.23Å; Y192-Y194 HydrophobicContact CE2-CD2 3.23Å; Y192-Y194 AromaticContact CE2-CE2 3.18Å; Y192-Y194 HydrophobicContact CE2-CE2 3.18Å; Y192-Y194 AromaticContact CG-CD2 3.95Å; Y192-Y194 HydrophobicContact CG-CD2 3.95Å; Y192-Y194 AromaticContact CG-CE2 3.5Å; Y192-Y194 HydrophobicContact CG-CE2 3.5Å; Y192-Y194 VanDerWaalsContact CG-CE2 3.5Å; Y192-R237 HydrophobicContact CD1-CB 4.31Å; Y192-R237 HydrophobicContact CD2-CB 4.17Å; Y192-R237 HydrophobicContact CE1-CB 3.81Å; Y192-R237 HydrophobicContact CE1-CG 4.1Å; Y192-R237 HydrophobicContact CE2-CB 3.66Å; Y192-R237 HydrophobicContact CG-CB 4.47Å; Y192-R237 VanDerWaalsContact CZ-CB 3.45Å; Y192-R237 PolarHBondContact N-O 2.95Å; Y192-R237 PolarHBondContact O-N 2.97Å; Y192-R237 WeakPolarHBondContact OH-CD 2.85Å
193L89Confident76.4Confident0 Ų062.8 Ų62.80%031%0.305CS..EExtended strand (participates in β ladder)trans-119.30172.7-178.482.8000109.1F175 F178 I180 L195 L215 I234 V235 F236 F253 L255F175-L193 HydrophobicContact CE1-CD2 3.78Å; F175-L193 HydrophobicContact CZ-CD2 4.38Å; F178-L193 HydrophobicContact CE2-CB 4.35Å; F178-L193 HydrophobicContact CE2-CD2 3.78Å; I180-L193 HydrophobicContact CD1-CB 3.83Å; L193-L195 HydrophobicContact CD2-CD1 3.87Å; L193-L195 HydrophobicContact CG-CD1 4.1Å; L193-L215 HydrophobicContact CB-CB 4.17Å; L193-L215 HydrophobicContact CD2-CD1 4.06Å; L193-L215 PolarHBondContact N-O 3.19Å; L193-L215 PolarHBondContact O-N 3.4Å; L193-I234 HydrophobicContact CD1-CG2 3.7Å; L193-I234 HydrophobicContact CG-CG2 4.47Å; L193-V235 CarbonylContact C-O 3.38Å; L193-V235 WeakPolarHBondContact CA-O 3.33Å; L193-F236 HydrophobicContact CD1-CB 3.92Å; L193-F236 HydrophobicContact CD1-CD2 4.11Å; L193-F236 HydrophobicContact CD1-CG 4.43Å; L193-F253 HydrophobicContact CD1-CE1 4.05Å; L193-F253 HydrophobicContact CD1-CE2 4.32Å; L193-F253 HydrophobicContact CD1-CZ 3.76Å; L193-L255 HydrophobicContact CD2-CD1 4.41Å
194Y90.6Very high77.1Confident44 Ų4467.2 Ų67.217%0.17332%0.317CS..EExtended strand (participates in β ladder)0142.70-78.3-70.3000110.6Y192 F196 A205 G211 E212 I234 V235Y192-Y194 HydrophobicContact CD1-CE2 4.32Å; Y192-Y194 AromaticContact CD2-CD2 2.9Å; Y192-Y194 HydrophobicContact CD2-CD2 2.9Å; Y192-Y194 AromaticContact CD2-CE2 2.83Å; Y192-Y194 HydrophobicContact CD2-CE2 2.83Å; Y192-Y194 HydrophobicContact CD2-CG 4.11Å; Y192-Y194 AromaticContact CE2-CD2 3.23Å; Y192-Y194 HydrophobicContact CE2-CD2 3.23Å; Y192-Y194 AromaticContact CE2-CE2 3.18Å; Y192-Y194 HydrophobicContact CE2-CE2 3.18Å; Y192-Y194 AromaticContact CG-CD2 3.95Å; Y192-Y194 HydrophobicContact CG-CD2 3.95Å; Y192-Y194 AromaticContact CG-CE2 3.5Å; Y192-Y194 HydrophobicContact CG-CE2 3.5Å; Y192-Y194 VanDerWaalsContact CG-CE2 3.5Å; Y194-F196 HydrophobicContact CG-CE2 4.28Å; Y194-F196 HydrophobicContact CG-CZ 4.21Å; Y194-A205 HydrophobicContact CD1-CB 3.79Å; Y194-A205 HydrophobicContact CE1-CB 4.42Å; Y194-G211 WeakPolarHBondContact CD1-O 2.49Å; Y194-G211 WeakPolarHBondContact CE1-O 3.1Å; Y194-E212 WeakPolarHBondContact CE1-O 3.37Å; Y194-E212 PolarHBondContact OH-O 3.41Å; Y194-I234 WeakPolarHBondContact O-CA 3.3Å; Y194-V235 PolarHBondContact N-O 2.97Å; Y194-V235 PolarHBondContact O-N 1.93Å
195L91.6Very high78.1Confident0 Ų063.4 Ų63.40%030%0.301CS..EExtended strand (participates in β ladder)trans-118.2131.7174.1-8586.5000109.3I173 F175 L193 A205 M206 A209 L215 I225I173-L195 HydrophobicContact CB-CD2 4.37Å; I173-L195 HydrophobicContact CD1-CD2 3.32Å; I173-L195 HydrophobicContact CG1-CD2 4.43Å; I173-L195 HydrophobicContact CG2-CD2 3.98Å; F175-L195 HydrophobicContact CZ-CD1 3.92Å; F175-L195 HydrophobicContact CZ-CD2 4.28Å; L193-L195 HydrophobicContact CD2-CD1 3.87Å; L193-L195 HydrophobicContact CG-CD1 4.1Å; L195-A205 WeakPolarHBondContact O-CA 2.83Å; L195-M206 HydrophobicContact CB-SD 4.36Å; L195-M206 PolarHBondContact O-N 2.92Å; L195-A209 HydrophobicContact CB-CB 3.8Å; L195-A209 HydrophobicContact CD1-CB 3.89Å; L195-A209 HydrophobicContact CD2-CB 4.41Å; L195-A209 HydrophobicContact CG-CB 4.26Å; L195-L215 HydrophobicContact CD1-CD1 4.01Å; L195-I225 HydrophobicContact CD2-CD1 4.37Å
196F91.3Very high79.5Confident21 Ų2157.8 Ų57.89%0.09228%0.275CS..EExtended strand (participates in β ladder)trans-121.4129.3-178.6-63.3-92.4000109.1Y194 S198 P201 Y203 A205 V232 T233 V235Y194-F196 HydrophobicContact CG-CE2 4.28Å; Y194-F196 HydrophobicContact CG-CZ 4.21Å; F196-S198 PolarHBondContact O-N 3.11Å; F196-P201 HydrophobicContact CD2-CB 4.18Å; F196-P201 HydrophobicContact CE2-CB 3.94Å; F196-P201 HydrophobicContact CZ-CB 4.15Å; F196-Y203 WeakPolarHBondContact CD1-O 2.66Å; F196-Y203 WeakPolarHBondContact CE1-O 3.25Å; F196-A205 HydrophobicContact CD1-CB 4.34Å; F196-A205 HydrophobicContact CE1-CB 4Å; F196-A205 HydrophobicContact CZ-CB 4.4Å; F196-V232 WeakPolarHBondContact O-CA 2.86Å; F196-V232 WeakPolarHBondContact O-CG2 3.33Å; F196-T233 HydrophobicContact CD2-CG2 4.47Å; F196-T233 PolarHBondContact N-O 2.74Å; F196-T233 PolarHBondContact O-N 2.84Å; F196-V235 HydrophobicContact CD2-CG2 3.99Å; F196-V235 HydrophobicContact CE2-CB 4.12Å; F196-V235 HydrophobicContact CE2-CG2 3.6Å
197D89.9Confident80.7Confident37 Ų3755 Ų5520%0.19827%0.273CS..SBendtrans-78.443.5177.2-167.28.8000110M206 T227 T228D197-M206 HydrophobicContact CB-CG 3.77Å; D197-M206 HydrophobicContact CB-SD 4.02Å; D197-T227 VanDerWaalsContact OD1-CB 3.26Å; D197-T227 WeakPolarHBondContact OD1-CB 3.49Å; D197-T228 PolarHBondContact OD1-N 3.07Å; D197-T228 VanDerWaalsContact OD1-N 3.16Å; D197-T228 PolarHBondContact OD1-OG1 2.83Å; D197-T228 VanDerWaalsContact OD2-CB 3.22Å; D197-T228 WeakPolarHBondContact OD2-CB 3.22Å; D197-T228 WeakPolarHBondContact OD2-CG2 3.05Å; D197-T228 PolarHBondContact OD2-N 3.34Å; D197-T228 VanDerWaalsContact OD2-N 3.07Å; D197-T228 PolarHBondContact OD2-OG1 2.75Å
198S86.4Confident81.8Confident3 Ų356.9 Ų56.92%0.02128%0.279CS..SBendtrans-149.3167.5179.268.50000109.8F196 T200 Y203 F231 V232 T233F196-S198 PolarHBondContact O-N 3.11Å; S198-T200 PolarHBondContact O-N 2.99Å; S198-T200 VanDerWaalsContact OG-C 3.26Å; S198-T200 PolarHBondContact OG-N 3.33Å; S198-T200 PolarHBondContact OG-O 3.46Å; S198-Y203 WeakPolarHBondContact OG-CD2 3.47Å; S198-F231 VanDerWaalsContact C-CE2 3.44Å; S198-V232 CarbonylContact O-C 3.47Å; S198-T233 WeakPolarHBondContact O-CB 2.45Å; S198-T233 PolarHBondContact O-N 2.96Å; S198-T233 VanDerWaalsContact O-N 3.1Å; S198-T233 PolarHBondContact O-OG1 2.1Å
199N82.3Confident82.4Confident93 Ų9356.5 Ų56.550%0.49728%0.276SS..SBendtrans-83.51.9179.659.9-10000110.7Y162 F231 T233Y162-N199 WeakPolarHBondContact CD1-O 3.37Å; Y162-N199 WeakPolarHBondContact CE1-O 3.19Å; N199-F231 HydrophobicContact CB-CB 4.21Å; N199-F231 HydrophobicContact CB-CD2 3.96Å; N199-F231 HydrophobicContact CB-CG 4.14Å; N199-F231 VanDerWaalsContact N-CE2 3.29Å; N199-T233 WeakPolarHBondContact CA-OG1 3.4Å; N199-T233 PolarHBondContact O-OG1 3.44Å
200T80Confident83.2Confident37 Ų3754.1 Ų54.123%0.22727%0.27CS..SBendtrans-139150175.558.80000109.1S198 Q202 T233S198-T200 PolarHBondContact O-N 2.99Å; S198-T200 VanDerWaalsContact OG-C 3.26Å; S198-T200 PolarHBondContact OG-N 3.33Å; S198-T200 PolarHBondContact OG-O 3.46Å; T200-Q202 PolarHBondContact O-N 2.89Å; T200-T233 PolarHBondContact N-OG1 2.63Å
201P75.7Confident84Confident42 Ų4252.3 Ų52.327%0.27326%0.264SS..THydrogen-bonded Turntrans-77.534.1176.624.7-26.9000111.9F196 Y203 V235F196-P201 HydrophobicContact CD2-CB 4.18Å; F196-P201 HydrophobicContact CE2-CB 3.94Å; F196-P201 HydrophobicContact CZ-CB 4.15Å; P201-Y203 VanDerWaalsContact C-N 3.26Å; P201-Y203 PolarHBondContact O-N 3.23Å; P201-V235 HydrophobicContact CB-CG2 4.08Å
202Q68.8Low84.3Confident172 Ų17258.9 Ų58.980%0.80430%0.295SS*.THydrogen-bonded Turntrans-101.8-0.8-175.9-69.7-177.2-2.400110.2T200T200-Q202 PolarHBondContact O-N 2.89Å
203Y68.7Low84.1Confident149 Ų14965.8 Ų65.858%0.58432%0.321SS*.SBendtrans-109.3158.5-176.7-70.8-82.2000109.2F196 S198 P201 A205F196-Y203 WeakPolarHBondContact CD1-O 2.66Å; F196-Y203 WeakPolarHBondContact CE1-O 3.25Å; S198-Y203 WeakPolarHBondContact OG-CD2 3.47Å; P201-Y203 VanDerWaalsContact C-N 3.26Å; P201-Y203 PolarHBondContact O-N 3.23Å; Y203-A205 PolarHBondContact O-N 3Å
204R84.4Confident84Confident195 Ų19566.1 Ų66.174%0.73632%0.323SS*.PPolyproline II helixtrans-51.8126.5175.5-167.7174.2179-180-0.7111.2
205A85.8Confident83.8Confident9 Ų964.6 Ų64.67%0.07432%0.318CS..BIsolated β-bridgetrans-59.9149178.600000110.9Y194 L195 F196 Y203 A207 G211Y194-A205 HydrophobicContact CD1-CB 3.79Å; Y194-A205 HydrophobicContact CE1-CB 4.42Å; L195-A205 WeakPolarHBondContact O-CA 2.83Å; F196-A205 HydrophobicContact CD1-CB 4.34Å; F196-A205 HydrophobicContact CE1-CB 4Å; F196-A205 HydrophobicContact CZ-CB 4.4Å; Y203-A205 PolarHBondContact O-N 3Å; A205-A207 PolarHBondContact O-N 2.8Å; A205-G211 WeakPolarHBondContact CB-O 3.19Å
206M89.9Confident83.5Confident20 Ų2065 Ų6510%0.09932%0.321CS..PPolyproline II helixtrans-61.5126.9-177.4-67.3-179.272.300109.8L195 D197 E208 A209 G211 I225L195-M206 HydrophobicContact CB-SD 4.36Å; L195-M206 PolarHBondContact O-N 2.92Å; D197-M206 HydrophobicContact CB-CG 3.77Å; D197-M206 HydrophobicContact CB-SD 4.02Å; M206-E208 PolarHBondContact O-N 3.48Å; M206-A209 HydrophobicContact CB-CB 4.32Å; M206-A209 CarbonylContact O-C 3.58Å; M206-A209 PolarHBondContact O-N 3.4Å; M206-G211 WeakPolarHBondContact O-CA 3.18Å; M206-G211 PolarHBondContact O-N 3.45Å; M206-I225 HydrophobicContact CE-CG2 2.95Å; M206-I225 HydrophobicContact SD-CG2 3.79Å
207A87.8Confident83.1Confident82 Ų8264.7 Ų64.768%0.67832%0.32SS*.G310 helixtrans-59.90-176.900000110.9A205 A209 G210A205-A207 PolarHBondContact O-N 2.8Å; A207-A209 PolarHBondContact O-N 2.93Å; A207-G210 PolarHBondContact O-N 3.43Å
208E86.3Confident82.7Confident120 Ų12066.9 Ų66.956%0.56133%0.329SS*.G310 helix0-14.60-63.4172.5179.900111.2M206 P221 I225M206-E208 PolarHBondContact O-N 3.48Å; E208-P221 WeakPolarHBondContact O-CG 3.47Å; E208-I225 HydrophobicContact CB-CG1 4.22Å; E208-I225 HydrophobicContact CB-CG2 4.49Å
209A85.6Confident82.4Confident1 Ų171.8 Ų71.81%0.00835%0.351CS..G310 helixtrans-11230.4179.900000109.9L195 M206 A207 L215 I225L195-A209 HydrophobicContact CB-CB 3.8Å; L195-A209 HydrophobicContact CD1-CB 3.89Å; L195-A209 HydrophobicContact CD2-CB 4.41Å; L195-A209 HydrophobicContact CG-CB 4.26Å; M206-A209 HydrophobicContact CB-CB 4.32Å; M206-A209 CarbonylContact O-C 3.58Å; M206-A209 PolarHBondContact O-N 3.4Å; A207-A209 PolarHBondContact O-N 2.93Å; A209-L215 HydrophobicContact CB-CD1 4.13Å; A209-L215 VanDerWaalsContact O-CD2 3.25Å; A209-L215 WeakPolarHBondContact O-CD2 3.32Å; A209-L215 WeakPolarHBondContact O-CG 3.36Å; A209-I225 HydrophobicContact CB-CD1 3.55Å
210G83.4Confident82.5Confident28 Ų2870.6 Ų70.629%0.28934%0.342SS..THydrogen-bonded Turntrans99.40172.500000111.5A207 E212 R213 G214A207-G210 PolarHBondContact O-N 3.43Å; G210-E212 PolarHBondContact O-N 3.48Å; G210-R213 WeakPolarHBondContact O-CA 2.42Å; G210-R213 VanDerWaalsContact O-CB 3.25Å; G210-R213 WeakPolarHBondContact O-CB 3.41Å; G210-R213 PolarHBondContact O-N 3.08Å; G210-G214 PolarHBondContact O-N 2.38Å
211G86.1Confident82.7Confident8 Ų870 Ų708%0.08234%0.339CS..G310 helix0-128.9000000112.2Y194 A205 M206 R213 G214Y194-G211 WeakPolarHBondContact CD1-O 2.49Å; Y194-G211 WeakPolarHBondContact CE1-O 3.1Å; A205-G211 WeakPolarHBondContact CB-O 3.19Å; M206-G211 WeakPolarHBondContact O-CA 3.18Å; M206-G211 PolarHBondContact O-N 3.45Å; G211-R213 PolarHBondContact O-N 3.05Å; G211-R213 VanDerWaalsContact O-N 3.13Å; G211-G214 PolarHBondContact O-N 2.7Å
212E82.1Confident83Confident139 Ų13974.3 Ų74.365%0.6536%0.364SS*.G310 helixtrans-75.5-13.7-173.6-68.8-175.6172.700110.6Y194 G210 G214Y194-E212 WeakPolarHBondContact CE1-O 3.37Å; Y194-E212 PolarHBondContact OH-O 3.41Å; G210-E212 PolarHBondContact O-N 3.48Å; E212-G214 VanDerWaalsContact C-N 3.3Å
213R81.6Confident83.7Confident182 Ų18273.2 Ų73.269%0.68736%0.359SS*.G310 helixtrans-85-18.8-178.1-68.9-176.5178.9166.1-0.5110.9C188 G210 G211C188-R213 WeakPolarHBondContact CB-O 3.46Å; G210-R213 WeakPolarHBondContact O-CA 2.42Å; G210-R213 VanDerWaalsContact O-CB 3.25Å; G210-R213 WeakPolarHBondContact O-CB 3.41Å; G210-R213 PolarHBondContact O-N 3.08Å; G211-R213 PolarHBondContact O-N 3.05Å; G211-R213 VanDerWaalsContact O-N 3.13Å
214G84.9Confident84.5Confident6 Ų667.8 Ų67.86%0.06234%0.342CS..  trans66.8169.8-17600000111.6G210 G211 E212G210-G214 PolarHBondContact O-N 2.38Å; G211-G214 PolarHBondContact O-N 2.7Å; E212-G214 VanDerWaalsContact C-N 3.3Å
215L88.1Confident84.8Confident12 Ų1258.5 Ų58.56%0.06331%0.307CS..BIsolated β-bridgetrans-101.5131.4179.9-64.4172.9000110.4F175 F178 C188 L193 L195 A209F175-L215 HydrophobicContact CE1-CD1 3.72Å; F175-L215 HydrophobicContact CE2-CD1 4.39Å; F175-L215 HydrophobicContact CZ-CD1 3.51Å; F178-L215 HydrophobicContact CE1-CB 4.08Å; F178-L215 HydrophobicContact CE2-CB 3.95Å; F178-L215 HydrophobicContact CZ-CB 3.35Å; C188-L215 VanDerWaalsContact SG-C 3.57Å; L193-L215 HydrophobicContact CB-CB 4.17Å; L193-L215 HydrophobicContact CD2-CD1 4.06Å; L193-L215 PolarHBondContact N-O 3.19Å; L193-L215 PolarHBondContact O-N 3.4Å; L195-L215 HydrophobicContact CD1-CD1 4.01Å; A209-L215 HydrophobicContact CB-CD1 4.13Å; A209-L215 VanDerWaalsContact O-CD2 3.25Å; A209-L215 WeakPolarHBondContact O-CD2 3.32Å; A209-L215 WeakPolarHBondContact O-CG 3.36Å
216C85.4Confident85Confident9 Ų961.1 Ų61.16%0.06132%0.317CS..  trans-156.5165.6174.460.80000109.2C188 N191C188-C216 WeakPolarHBondContact CA-SG 3.46Å; C188-C216 HydrophobicContact CB-CB 3.39Å; C188-C216 WeakPolarHBondContact CB-SG 3.26Å; C188-C216 WeakPolarHBondContact SG-CA 3.17Å; C188-C216 WeakPolarHBondContact SG-CB 2.88Å; C188-C216 PolarHBondContact SG-N 2.74Å; C188-C216 CovalentContact SG-SG 1.46Å; C188-C216 PolarHBondContact SG-SG 3.49Å; N191-C216 VanDerWaalsContact O-CB 3.3Å; N191-C216 WeakPolarHBondContact O-CB 3.23Å
217Q81.1Confident85Confident14 Ų1460.2 Ų60.27%0.06531%0.313CS..BIsolated β-bridgetrans68.4-142-176.8-64.4-178.8-500111.3F178 Y179 I180 Q184 H185F178-Q217 VanDerWaalsContact CD1-O 3.29Å; F178-Q217 WeakPolarHBondContact CD1-O 2.63Å; F178-Q217 WeakPolarHBondContact CE1-O 2.82Å; Y179-Q217 WeakPolarHBondContact CA-O 2.84Å; I180-Q217 PolarHBondContact N-O 2.83Å; I180-Q217 WeakPolarHBondContact O-CA 2.73Å; I180-Q217 PolarHBondContact O-N 2.57Å; Q184-Q217 PolarHBondContact O-NE2 3.29Å; H185-Q217 PolarHBondContact O-NE2 3.44Å; H185-Q217 VanDerWaalsContact O-NE2 3.11Å; H185-Q217 PolarHBondContact O-OE1 1.35Å; H185-Q217 VanDerWaalsContact O-OE1 3.07Å
218H81.9Confident84.9Confident84 Ų8460.9 Ų60.939%0.38931%0.308SS..THydrogen-bonded Turntrans-101.80-17348.9-74.3000109.7Y179 F220Y179-H218 HydrophobicContact CD2-CB 4.37Å; H218-F220 VanDerWaalsContact O-CD1 3.23Å; H218-F220 WeakPolarHBondContact O-CD1 2.98Å
219H80.9Confident84.9Confident106 Ų10660.9 Ų60.949%0.49131%0.307SS..  01180-67.791.6000110F178F178-H219 WeakPolarHBondContact CE1-O 2.87Å
220F85.1Confident84.9Confident67 Ų6761.6 Ų61.629%0.29431%0.311SS..  trans-145151.9176.459.3-87000109.4F175 F178 H218 T222F175-F220 HydrophobicContact CB-CB 4.35Å; F175-F220 HydrophobicContact CB-CD2 3.41Å; F175-F220 VanDerWaalsContact CB-CD2 3.41Å; F175-F220 HydrophobicContact CB-CE2 4Å; F175-F220 HydrophobicContact CB-CG 4.14Å; F175-F220 HydrophobicContact CD1-CB 4.3Å; F175-F220 HydrophobicContact CG-CB 4.29Å; F175-F220 HydrophobicContact CG-CD2 4.2Å; F178-F220 HydrophobicContact CB-CB 3.79Å; F178-F220 HydrophobicContact CB-CD1 3.27Å; F178-F220 HydrophobicContact CB-CD2 4.4Å; F178-F220 HydrophobicContact CB-CE1 3.89Å; F178-F220 HydrophobicContact CB-CG 3.57Å; F178-F220 HydrophobicContact CD1-CB 3.79Å; F178-F220 AromaticContact CD1-CD1 3.95Å; F178-F220 HydrophobicContact CD1-CD1 3.95Å; F178-F220 HydrophobicContact CD1-CG 4.29Å; F178-F220 HydrophobicContact CD2-CB 4.37Å; F178-F220 HydrophobicContact CE1-CB 4.47Å; F178-F220 HydrophobicContact CG-CB 3.74Å; F178-F220 AromaticContact CG-CD1 3.96Å; F178-F220 HydrophobicContact CG-CD1 3.96Å; F178-F220 HydrophobicContact CG-CG 4.1Å; H218-F220 VanDerWaalsContact O-CD1 3.23Å; H218-F220 WeakPolarHBondContact O-CD1 2.98Å; F220-T222 PolarHBondContact O-N 2.58Å
221P84.2Confident85.1Confident26 Ų2662 Ų6217%0.16931%0.305CS..  trans-62.50-179.1-17.223.6000111.7F175 E208 I225F175-P221 HydrophobicContact CD2-CG 4.5Å; F175-P221 HydrophobicContact CE2-CG 4.23Å; E208-P221 WeakPolarHBondContact O-CG 3.47Å; P221-I225 HydrophobicContact CB-CD1 4.23Å; P221-I225 HydrophobicContact CB-CG1 4.32Å; P221-I225 HydrophobicContact CG-CD1 3.74Å; P221-I225 HydrophobicContact CG-CG1 4.37Å
222T81.3Confident85.3Confident131 Ų13161.6 Ų61.680%0.80430%0.301SS*.SBend0-20.2050.90000110.2F220F220-T222 PolarHBondContact O-N 2.58Å
223Q82.7Confident85.6Confident150 Ų15055 Ų5570%0.70127%0.27SS*.SBendtrans-96.6148.2178.2-67.3-178.74.100110.2I225Q223-I225 PolarHBondContact O-N 3.11Å
224P86.5Confident86.1Confident34 Ų3446.3 Ų46.322%0.22124%0.238CC..PPolyproline II helixtrans-63.6141.1-179.821.1-25.6000111.9M172 I173 F226M172-P224 HydrophobicContact CG-CB 3.79Å; M172-P224 HydrophobicContact SD-CB 4.08Å; I173-P224 CarbonylContact O-C 3.51Å; I173-P224 WeakPolarHBondContact O-CA 3.12Å; P224-F226 HydrophobicContact CB-CE2 3.96Å; P224-F226 HydrophobicContact CB-CZ 4.04Å; P224-F226 HydrophobicContact CG-CE2 3.72Å; P224-F226 HydrophobicContact CG-CZ 3.86Å
225I90.4Very high86.2Confident1 Ų146.6 Ų46.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-94.8132.7176.6-61.9172.6000109.8M172 I173 F175 L195 M206 E208 A209 P221 Q223M172-I225 CarbonylContact C-O 3.54Å; M172-I225 WeakPolarHBondContact CA-O 3.44Å; I173-I225 HydrophobicContact CB-CB 4.36Å; I173-I225 PolarHBondContact N-O 2.85Å; I173-I225 PolarHBondContact O-N 2.69Å; F175-I225 HydrophobicContact CE2-CD1 3.55Å; F175-I225 HydrophobicContact CE2-CG1 4.44Å; F175-I225 HydrophobicContact CZ-CD1 4.29Å; L195-I225 HydrophobicContact CD2-CD1 4.37Å; M206-I225 HydrophobicContact CE-CG2 2.95Å; M206-I225 HydrophobicContact SD-CG2 3.79Å; E208-I225 HydrophobicContact CB-CG1 4.22Å; E208-I225 HydrophobicContact CB-CG2 4.49Å; A209-I225 HydrophobicContact CB-CD1 3.55Å; P221-I225 HydrophobicContact CB-CD1 4.23Å; P221-I225 HydrophobicContact CB-CG1 4.32Å; P221-I225 HydrophobicContact CG-CD1 3.74Å; P221-I225 HydrophobicContact CG-CG1 4.37Å; Q223-I225 PolarHBondContact O-N 3.11Å
226F89.5Confident86.2Confident64 Ų6446 Ų4628%0.28124%0.235SC..EExtended strand (participates in β ladder)trans-114.2135.2-177.5-67.3-88.2000109.5M172 P224 I260 Y350M172-F226 HydrophobicContact CB-CD1 3.89Å; M172-F226 HydrophobicContact CB-CE1 3.76Å; M172-F226 HydrophobicContact CG-CD1 3.92Å; M172-F226 HydrophobicContact CG-CE1 3.46Å; M172-F226 VanDerWaalsContact CG-CE1 3.46Å; M172-F226 HydrophobicContact CG-CZ 3.92Å; M172-F226 HydrophobicContact SD-CE1 3.82Å; M172-F226 HydrophobicContact SD-CZ 4.04Å; P224-F226 HydrophobicContact CB-CE2 3.96Å; P224-F226 HydrophobicContact CB-CZ 4.04Å; P224-F226 HydrophobicContact CG-CE2 3.72Å; P224-F226 HydrophobicContact CG-CZ 3.86Å; F226-I260 HydrophobicContact CD1-CD1 3.04Å; F226-I260 HydrophobicContact CD1-CG1 4.46Å; F226-I260 HydrophobicContact CE1-CD1 3.24Å; F226-I260 HydrophobicContact CG-CD1 4.31Å; F226-Y350 HydrophobicContact CE1-CD1 4.27Å; F226-Y350 HydrophobicContact CE1-CE1 4.36Å; F226-Y350 HydrophobicContact CZ-CD1 4.32Å; F226-Y350 HydrophobicContact CZ-CE1 4.11Å
227T90.3Very high86.1Confident1 Ų148.7 Ų48.71%0.00624%0.244CC..  trans-85156177.263.60000109.6R170 I171 I173 D197 K229 V232R170-T227 WeakPolarHBondContact CB-O 3.41Å; R170-T227 WeakPolarHBondContact CD-O 2.99Å; R170-T227 WeakPolarHBondContact CG-O 3.2Å; I171-T227 WeakPolarHBondContact CA-OG1 3.02Å; I171-T227 HydrophobicContact CB-CG2 3.96Å; I171-T227 PolarHBondContact N-OG1 2.3Å; I171-T227 WeakPolarHBondContact O-CG2 3.37Å; I171-T227 PolarHBondContact O-N 3.31Å; I171-T227 PolarHBondContact O-OG1 3.34Å; I173-T227 HydrophobicContact CD1-CG2 4.36Å; D197-T227 VanDerWaalsContact OD1-CB 3.26Å; D197-T227 WeakPolarHBondContact OD1-CB 3.49Å; T227-K229 VanDerWaalsContact C-N 3.31Å; T227-K229 PolarHBondContact OG1-O 2.84Å; T227-V232 HydrophobicContact CG2-CB 3.76Å; T227-V232 HydrophobicContact CG2-CG2 4.04Å
228T85.8Confident86Confident96 Ų9648 Ų4859%0.58924%0.241SC*.SBendtrans-83.7-21.9178.353.80000110.6D197D197-T228 PolarHBondContact OD1-N 3.07Å; D197-T228 VanDerWaalsContact OD1-N 3.16Å; D197-T228 PolarHBondContact OD1-OG1 2.83Å; D197-T228 VanDerWaalsContact OD2-CB 3.22Å; D197-T228 WeakPolarHBondContact OD2-CB 3.22Å; D197-T228 WeakPolarHBondContact OD2-CG2 3.05Å; D197-T228 PolarHBondContact OD2-N 3.34Å; D197-T228 VanDerWaalsContact OD2-N 3.07Å; D197-T228 PolarHBondContact OD2-OG1 2.75Å
229K85Confident85.7Confident120 Ų12045.8 Ų45.852%0.52223%0.233SC..SBendtrans-127.7-174.8-177-65.5-176.7-179.6179.10110T227 F231T227-K229 VanDerWaalsContact C-N 3.31Å; T227-K229 PolarHBondContact OG1-O 2.84Å; K229-F231 HydrophobicContact CB-CD1 3.66Å; K229-F231 HydrophobicContact CB-CE1 3.18Å; K229-F231 HydrophobicContact CB-CE2 4.14Å; K229-F231 HydrophobicContact CB-CG 4.3Å; K229-F231 HydrophobicContact CB-CZ 3.48Å; K229-F231 VanDerWaalsContact CB-CZ 3.48Å; K229-F231 HydrophobicContact CD-CD1 4.25Å; K229-F231 HydrophobicContact CD-CE1 3.02Å; K229-F231 HydrophobicContact CD-CE2 3.76Å; K229-F231 HydrophobicContact CD-CZ 2.69Å; K229-F231 HydrophobicContact CG-CE1 3.73Å; K229-F231 HydrophobicContact CG-CZ 3.7Å; K229-F231 PolarHBondContact O-N 2.93Å
230S86.6Confident85Confident16 Ų1643.7 Ų43.711%0.11223%0.228CC..SBendtrans-88.30-173.856.10000111.1H164 S165 S169 I171H164-S230 CarbonylContact C-O 3.45Å; H164-S230 VanDerWaalsContact CA-O 3.32Å; H164-S230 WeakPolarHBondContact CA-O 3.29Å; S165-S230 PolarHBondContact N-O 3.44Å; S169-S230 WeakPolarHBondContact O-CA 3.01Å; S169-S230 WeakPolarHBondContact O-CB 3.08Å; I171-S230 WeakPolarHBondContact CD1-O 3.5Å
231F87.6Confident84Confident35 Ų3544.3 Ų44.315%0.15423%0.231CC..EExtended strand (participates in β ladder)0152.6045.2-91.2000108.9V163 S198 N199 K229V163-F231 CarbonylContact O-C 3.6Å; V163-F231 WeakPolarHBondContact O-CA 3.33Å; S198-F231 VanDerWaalsContact C-CE2 3.44Å; N199-F231 HydrophobicContact CB-CB 4.21Å; N199-F231 HydrophobicContact CB-CD2 3.96Å; N199-F231 HydrophobicContact CB-CG 4.14Å; N199-F231 VanDerWaalsContact N-CE2 3.29Å; K229-F231 HydrophobicContact CB-CD1 3.66Å; K229-F231 HydrophobicContact CB-CE1 3.18Å; K229-F231 HydrophobicContact CB-CE2 4.14Å; K229-F231 HydrophobicContact CB-CG 4.3Å; K229-F231 HydrophobicContact CB-CZ 3.48Å; K229-F231 VanDerWaalsContact CB-CZ 3.48Å; K229-F231 HydrophobicContact CD-CD1 4.25Å; K229-F231 HydrophobicContact CD-CE1 3.02Å; K229-F231 HydrophobicContact CD-CE2 3.76Å; K229-F231 HydrophobicContact CD-CZ 2.69Å; K229-F231 HydrophobicContact CG-CE1 3.73Å; K229-F231 HydrophobicContact CG-CZ 3.7Å; K229-F231 PolarHBondContact O-N 2.93Å
232V90.3Very high82.5Confident0 Ų044.6 Ų44.60%023%0.233CC..EExtended strand (participates in β ladder)trans-150.6139.6174.863.30000107.8V163 I171 I173 F196 S198 T227 L257V163-V232 HydrophobicContact CB-CG1 3.51Å; V163-V232 HydrophobicContact CG1-CG1 4.19Å; V163-V232 HydrophobicContact CG2-CG1 4.06Å; V163-V232 PolarHBondContact N-O 3.31Å; V163-V232 PolarHBondContact O-N 3.46Å; I171-V232 HydrophobicContact CD1-CB 4.35Å; I171-V232 HydrophobicContact CD1-CG1 3.79Å; I171-V232 HydrophobicContact CG2-CG1 4.23Å; I173-V232 HydrophobicContact CD1-CB 4.37Å; I173-V232 HydrophobicContact CD1-CG1 4.37Å; I173-V232 HydrophobicContact CD1-CG2 3.61Å; F196-V232 WeakPolarHBondContact O-CA 2.86Å; F196-V232 WeakPolarHBondContact O-CG2 3.33Å; S198-V232 CarbonylContact O-C 3.47Å; T227-V232 HydrophobicContact CG2-CB 3.76Å; T227-V232 HydrophobicContact CG2-CG2 4.04Å; V232-L257 HydrophobicContact CG1-CD2 4.19Å
233T89.3Confident81.1Confident0 Ų042.9 Ų42.90%023%0.227CC..EExtended strand (participates in β ladder)trans-114131.3176.5-60.40000109.8I161 Y162 F196 S198 N199 T200 V235I161-T233 CarbonylContact O-C 3.6Å; I161-T233 VanDerWaalsContact O-CA 3.25Å; I161-T233 WeakPolarHBondContact O-CA 3.42Å; Y162-T233 HydrophobicContact CD1-CG2 3.97Å; Y162-T233 WeakPolarHBondContact CD1-OG1 3.24Å; Y162-T233 HydrophobicContact CE1-CG2 3.8Å; F196-T233 HydrophobicContact CD2-CG2 4.47Å; F196-T233 PolarHBondContact N-O 2.74Å; F196-T233 PolarHBondContact O-N 2.84Å; S198-T233 WeakPolarHBondContact O-CB 2.45Å; S198-T233 PolarHBondContact O-N 2.96Å; S198-T233 VanDerWaalsContact O-N 3.1Å; S198-T233 PolarHBondContact O-OG1 2.1Å; N199-T233 WeakPolarHBondContact CA-OG1 3.4Å; N199-T233 PolarHBondContact O-OG1 3.44Å; T200-T233 PolarHBondContact N-OG1 2.63Å; T233-V235 HydrophobicContact CG2-CG2 4.05Å
234I90.3Very high79.3Confident1 Ų140 Ų401%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-115.5126.8-179.6-58.9169.9000107.9I48 E160 I161 L193 Y194 L255 L257I48-I234 HydrophobicContact CD1-CD1 3.95Å; E160-I234 CarbonylContact C-O 3.18Å; E160-I234 WeakPolarHBondContact CA-O 3.16Å; I161-I234 HydrophobicContact CB-CB 4.11Å; I161-I234 PolarHBondContact N-O 1.61Å; I161-I234 PolarHBondContact O-N 2.17Å; L193-I234 HydrophobicContact CD1-CG2 3.7Å; L193-I234 HydrophobicContact CG-CG2 4.47Å; Y194-I234 WeakPolarHBondContact O-CA 3.3Å; I234-L255 HydrophobicContact CD1-CD1 4.34Å; I234-L255 HydrophobicContact CG2-CD1 4.45Å; I234-L257 HydrophobicContact CD1-CD2 3.86Å
235V88.1Confident77.5Confident11 Ų1140.7 Ų40.77%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-120122.4-179.1178.60000108.9C159 E160 L193 Y194 F196 P201 T233C159-V235 CarbonylContact O-C 3.54Å; C159-V235 WeakPolarHBondContact O-CA 3.32Å; E160-V235 HydrophobicContact CG-CG1 4.18Å; E160-V235 HydrophobicContact CG-CG2 3.96Å; L193-V235 CarbonylContact C-O 3.38Å; L193-V235 WeakPolarHBondContact CA-O 3.33Å; Y194-V235 PolarHBondContact N-O 2.97Å; Y194-V235 PolarHBondContact O-N 1.93Å; F196-V235 HydrophobicContact CD2-CG2 3.99Å; F196-V235 HydrophobicContact CE2-CB 4.12Å; F196-V235 HydrophobicContact CE2-CG2 3.6Å; P201-V235 HydrophobicContact CB-CG2 4.08Å; T233-V235 HydrophobicContact CG2-CG2 4.05Å
236F87.2Confident75.3Confident0 Ų046.5 Ų46.50%027%0.269CS..EExtended strand (participates in β ladder)trans-119.3126.4178.6174.9-120.9000109L24 Y153 P154 F157 S158 C159 I180 L193 F253L24-F236 HydrophobicContact CD1-CD1 4.24Å; Y153-F236 HydrophobicContact CE1-CZ 4.19Å; Y153-F236 HydrophobicContact CE2-CZ 4.44Å; Y153-F236 AromaticContact CZ-CZ 3.64Å; Y153-F236 WeakPolarHBondContact OH-CE2 3.32Å; Y153-F236 WeakPolarHBondContact OH-CZ 3.14Å; P154-F236 HydrophobicContact CG-CE1 4.41Å; F157-F236 HydrophobicContact CD1-CE1 4.21Å; F157-F236 AromaticContact CD2-CD1 3.91Å; F157-F236 HydrophobicContact CD2-CD1 3.91Å; F157-F236 AromaticContact CD2-CE1 3.99Å; F157-F236 HydrophobicContact CD2-CE1 3.99Å; F157-F236 AromaticContact CE1-CD1 3.96Å; F157-F236 HydrophobicContact CE1-CD1 3.96Å; F157-F236 AromaticContact CE1-CE1 3.04Å; F157-F236 HydrophobicContact CE1-CE1 3.04Å; F157-F236 AromaticContact CE1-CZ 3.76Å; F157-F236 HydrophobicContact CE1-CZ 3.76Å; F157-F236 AromaticContact CE2-CD1 2.68Å; F157-F236 HydrophobicContact CE2-CD1 2.68Å; F157-F236 AromaticContact CE2-CE1 2.72Å; F157-F236 HydrophobicContact CE2-CE1 2.72Å; F157-F236 AromaticContact CE2-CG 3.99Å; F157-F236 HydrophobicContact CE2-CG 3.99Å; F157-F236 HydrophobicContact CE2-CZ 4.05Å; F157-F236 AromaticContact CZ-CD1 2.73Å; F157-F236 HydrophobicContact CZ-CD1 2.73Å; F157-F236 AromaticContact CZ-CE1 2.03Å; F157-F236 HydrophobicContact CZ-CE1 2.03Å; F157-F236 HydrophobicContact CZ-CE2 4.37Å; F157-F236 HydrophobicContact CZ-CG 4.07Å; F157-F236 AromaticContact CZ-CZ 3.15Å; F157-F236 HydrophobicContact CZ-CZ 3.15Å; S158-F236 CarbonylContact C-O 3.59Å; S158-F236 WeakPolarHBondContact CA-O 3.47Å; C159-F236 PolarHBondContact N-O 3.42Å; C159-F236 PolarHBondContact O-N 3.15Å; I180-F236 HydrophobicContact CD1-CD2 4.22Å; I180-F236 HydrophobicContact CD1-CE2 3.8Å; I180-F236 HydrophobicContact CG1-CE2 4.4Å; I180-F236 HydrophobicContact CG2-CE2 4.48Å; L193-F236 HydrophobicContact CD1-CB 3.92Å; L193-F236 HydrophobicContact CD1-CD2 4.11Å; L193-F236 HydrophobicContact CD1-CG 4.43Å; F236-F253 HydrophobicContact CD1-CE1 4.5Å; F236-F253 AromaticContact CD2-CE1 3.71Å; F236-F253 HydrophobicContact CD2-CE1 3.71Å; F236-F253 HydrophobicContact CD2-CZ 4.31Å; F236-F253 AromaticContact CE2-CE1 3.79Å; F236-F253 HydrophobicContact CE2-CE1 3.79Å; F236-F253 HydrophobicContact CG-CE1 4.09Å; F236-F253 HydrophobicContact CG-CZ 4.31Å; F236-F253 HydrophobicContact CZ-CE1 4.22Å
237R83.5Confident73.6Confident65 Ų6548.7 Ų48.725%0.24528%0.282CS..EExtended strand (participates in β ladder)trans-129.6133.2178-170.6174173.1146.60.8109.9N191 Y192 T239 D884N191-R237 CarbonylContact C-O 3.53Å; N191-R237 WeakPolarHBondContact CA-O 3.13Å; Y192-R237 HydrophobicContact CD1-CB 4.31Å; Y192-R237 HydrophobicContact CD2-CB 4.17Å; Y192-R237 HydrophobicContact CE1-CB 3.81Å; Y192-R237 HydrophobicContact CE1-CG 4.1Å; Y192-R237 HydrophobicContact CE2-CB 3.66Å; Y192-R237 HydrophobicContact CG-CB 4.47Å; Y192-R237 VanDerWaalsContact CZ-CB 3.45Å; Y192-R237 PolarHBondContact N-O 2.95Å; Y192-R237 PolarHBondContact O-N 2.97Å; Y192-R237 WeakPolarHBondContact OH-CD 2.85Å; R237-T239 HydrophobicContact CG-CG2 4.49Å; R237-D884 IonicContact CZ-OD1 3.64Å; R237-D884 IonicContact NH1-OD1 3.3Å; R237-D884 PolarHBondContact NH1-OD1 2.94Å; R237-D884 IonicContact NH1-OD2 3.46Å; R237-D884 IonicContact NH2-OD1 3.55Å; R237-D884 PolarHBondContact NH2-OD1 3.31Å; R237-D884 IonicContact NH2-OD2 3.21Å; R237-D884 PolarHBondContact NH2-OD2 3.19Å
238S80.5Confident72.1Confident1 Ų157.2 Ų57.21%0.00733%0.327CS..EExtended strand (participates in β ladder)trans-132121.9177.7175.30000109.2Y153 P154 N156 F157 N191Y153-S238 WeakPolarHBondContact CE1-OG 3.11Å; P154-S238 VanDerWaalsContact O-CB 3.32Å; P154-S238 WeakPolarHBondContact O-CB 3.5Å; P154-S238 PolarHBondContact O-OG 3.47Å; N156-S238 CarbonylContact C-O 3.59Å; N156-S238 VanDerWaalsContact C-O 3.26Å; N156-S238 WeakPolarHBondContact CA-O 3.4Å; N156-S238 PolarHBondContact N-O 2.75Å; F157-S238 PolarHBondContact N-O 2.82Å; F157-S238 PolarHBondContact O-N 3.31Å; N191-S238 VanDerWaalsContact OD1-C 3.31Å; N191-S238 WeakPolarHBondContact OD1-CA 3.02Å; N191-S238 PolarHBondContact OD1-OG 2.89Å
239T74.3Confident71.1Confident36 Ų3656.3 Ų56.322%0.22132%0.318CS..  trans-107.9-53.6-174.553.10000109.7N156 E190 N191 R237N156-T239 WeakPolarHBondContact OD1-CA 3.43Å; N156-T239 PolarHBondContact OD1-O 2.62Å; E190-T239 WeakPolarHBondContact CB-OG1 3.28Å; E190-T239 PolarHBondContact O-OG1 3.33Å; E190-T239 VanDerWaalsContact O-OG1 3.09Å; N191-T239 PolarHBondContact OD1-N 2.66Å; R237-T239 HydrophobicContact CG-CG2 4.49Å
240T66.3Low70.4Confident62 Ų6253.9 Ų53.938%0.3831%0.308SS..  trans-140.7143.4-17752.90000108.9E190 N191E190-T240 PolarHBondContact OE2-OG1 3.18Å; E190-T240 VanDerWaalsContact OE2-OG1 3.09Å; N191-T240 PolarHBondContact ND2-O 3.06Å
241F63.7Low70Confident81 Ų8154 Ų5436%0.35531%0.309SS..  trans-95.8104.2176.9-175.8-104.6000109.3Y153 V155 P181 P251Y153-F241 HydrophobicContact CD1-CD2 4.25Å; V155-F241 HydrophobicContact CG1-CB 3.3Å; V155-F241 HydrophobicContact CG1-CG 4.34Å; P181-F241 HydrophobicContact CG-CD2 4.07Å; P181-F241 HydrophobicContact CG-CE2 4.06Å; F241-P251 HydrophobicContact CE2-CB 4.44Å; F241-P251 HydrophobicContact CE2-CG 3.86Å; F241-P251 HydrophobicContact CZ-CG 4.47Å
242S53.8Low69.6Low31 Ų3152.3 Ų52.322%0.21730%0.301CS..  trans-99.394.5168.694.50000110.2S244S242-S244 PolarHBondContact O-N 3.04Å; S242-S244 PolarHBondContact OG-OG 3.25Å
243S52Low69.3Low96 Ų9652.3 Ų52.367%0.67130%0.301SS*.  trans-49.949.7174.381.60000110.9
244S45.1Very low69.2Low89 Ų8953.3 Ų53.362%0.62231%0.306SS*.  trans-1030177.5640000109.9S242 S246S242-S244 PolarHBondContact O-N 3.04Å; S242-S244 PolarHBondContact OG-OG 3.25Å; S244-S246 PolarHBondContact O-N 2.98Å; S244-S246 VanDerWaalsContact O-N 3.14Å
245S47.3Very low69.1Low49 Ų4953.3 Ų53.334%0.34331%0.306SS..  092.5080.80000109.9Y179 M247Y179-S245 WeakPolarHBondContact OH-CB 3.49Å; Y179-S245 PolarHBondContact OH-OG 2.56Å; Y179-S245 VanDerWaalsContact OH-OG 3.1Å; S245-M247 PolarHBondContact O-N 2.88Å; S245-M247 PolarHBondContact OG-O 3.41Å
246S45Very low69Low122 Ų12253 Ų5385%0.85330%0.303SS*.  trans-30.5016174.10000111.7S244S244-S246 PolarHBondContact O-N 2.98Å; S244-S246 VanDerWaalsContact O-N 3.14Å
247M52.6Low69.1Low111 Ų11153 Ų5355%0.54730%0.303SS..SBend0990-81.3-151.1-138.300110.4S245 I249S245-M247 PolarHBondContact O-N 2.88Å; S245-M247 PolarHBondContact OG-O 3.41Å; M247-I249 HydrophobicContact CB-CD1 4Å; M247-I249 HydrophobicContact CB-CG1 4.05Å; M247-I249 PolarHBondContact O-N 2.82Å; M247-I249 HydrophobicContact SD-CD1 3.88Å
248D58.9Low69.3Low179 Ų17949.9 Ų49.996%0.95729%0.292SS*.  trans-25.10170.3-73.9-22.4000111.6
249I66.2Low69.7Low77 Ų7750.5 Ų50.540%0.39530%0.297SS..  0128.40-62.1172000108.2Y179 M247Y179-I249 HydrophobicContact CD1-CB 4.47Å; Y179-I249 HydrophobicContact CD1-CG2 3.95Å; Y179-I249 HydrophobicContact CD2-CG2 4.05Å; Y179-I249 HydrophobicContact CE1-CG2 4.49Å; Y179-I249 HydrophobicContact CG-CG2 3.71Å; M247-I249 HydrophobicContact CB-CD1 4Å; M247-I249 HydrophobicContact CB-CG1 4.05Å; M247-I249 PolarHBondContact O-N 2.82Å; M247-I249 HydrophobicContact SD-CD1 3.88Å
250E70Confident70.3Confident69 Ų6948.9 Ų48.932%0.32229%0.287SS..  trans-77.80-177.9-164.7172.7174.900110.5Y54 L57Y54-E250 HydrophobicContact CD1-CG 4.35Å; Y54-E250 HydrophobicContact CE1-CB 4.41Å; Y54-E250 HydrophobicContact CE1-CG 3.58Å; L57-E250 HydrophobicContact CD1-CG 3.94Å; L57-E250 WeakPolarHBondContact CD1-OE1 3.03Å; L57-E250 WeakPolarHBondContact CD1-OE2 2.79Å; L57-E250 WeakPolarHBondContact CG-OE2 3.03Å
251P77Confident71.2Confident18 Ų1847.4 Ų47.412%0.11728%0.278CS..  0136.6024.5-29.8000111.7Y54 Y153 Y179 P181 F241Y54-P251 WeakPolarHBondContact CD1-O 2Å; Y54-P251 WeakPolarHBondContact CE1-O 2.99Å; Y54-P251 WeakPolarHBondContact CE2-O 1.7Å; Y54-P251 WeakPolarHBondContact OH-CB 3.45Å; Y54-P251 WeakPolarHBondContact OH-CG 2.4Å; Y54-P251 PolarHBondContact OH-O 1.46Å; Y153-P251 HydrophobicContact CD2-CB 3.24Å; Y153-P251 HydrophobicContact CD2-CG 3.7Å; Y153-P251 HydrophobicContact CE2-CB 3.69Å; Y153-P251 HydrophobicContact CG-CB 3.73Å; Y153-P251 HydrophobicContact CG-CG 3.88Å; Y179-P251 HydrophobicContact CD1-CB 3.97Å; Y179-P251 HydrophobicContact CE1-CB 4.26Å; Y179-P251 CarbonylContact O-C 3.54Å; Y179-P251 WeakPolarHBondContact O-CA 3.32Å; P181-P251 HydrophobicContact CG-CB 3.95Å; F241-P251 HydrophobicContact CE2-CB 4.44Å; F241-P251 HydrophobicContact CE2-CG 3.86Å; F241-P251 HydrophobicContact CZ-CG 4.47Å
252G79.4Confident72.1Confident0 Ų048.1 Ų48.10%029%0.286CS..EExtended strand (participates in β ladder)trans148.20175.100000110.3S50 F178 Y179S50-G252 WeakPolarHBondContact OG-CA 2.83Å; F178-G252 CarbonylContact C-O 3.28Å; Y179-G252 PolarHBondContact N-O 3.09Å; Y179-G252 PolarHBondContact O-N 3.1Å
253F85.4Confident73.1Confident1 Ų147.2 Ų47.20%0.00428%0.28CS..EExtended strand (participates in β ladder)00057.3-97.5000109.9L24 I48 S50 S177 F178 I180 L193 F236 L255L24-F253 HydrophobicContact CD1-CE1 4.1Å; L24-F253 HydrophobicContact CD1-CE2 3.78Å; L24-F253 HydrophobicContact CD1-CZ 3.18Å; I48-F253 HydrophobicContact CG2-CE2 4.48Å; S50-F253 PolarHBondContact N-O 3.17Å; S50-F253 VanDerWaalsContact N-O 3.09Å; S50-F253 PolarHBondContact OG-N 3.07Å; S50-F253 VanDerWaalsContact OG-N 3.07Å; S177-F253 CarbonylContact O-C 3.57Å; S177-F253 WeakPolarHBondContact O-CA 2.96Å; S177-F253 WeakPolarHBondContact O-CB 3.22Å; F178-F253 HydrophobicContact CB-CB 4.44Å; F178-F253 HydrophobicContact CD2-CB 3.59Å; F178-F253 HydrophobicContact CD2-CG 4.33Å; F178-F253 HydrophobicContact CE2-CB 4.27Å; F178-F253 HydrophobicContact CG-CB 4.35Å; I180-F253 HydrophobicContact CD1-CD1 3.85Å; I180-F253 HydrophobicContact CD1-CE1 4.17Å; I180-F253 HydrophobicContact CG1-CD1 4.09Å; L193-F253 HydrophobicContact CD1-CE1 4.05Å; L193-F253 HydrophobicContact CD1-CE2 4.32Å; L193-F253 HydrophobicContact CD1-CZ 3.76Å; F236-F253 HydrophobicContact CD1-CE1 4.5Å; F236-F253 AromaticContact CD2-CE1 3.71Å; F236-F253 HydrophobicContact CD2-CE1 3.71Å; F236-F253 HydrophobicContact CD2-CZ 4.31Å; F236-F253 AromaticContact CE2-CE1 3.79Å; F236-F253 HydrophobicContact CE2-CE1 3.79Å; F236-F253 HydrophobicContact CG-CE1 4.09Å; F236-F253 HydrophobicContact CG-CZ 4.31Å; F236-F253 HydrophobicContact CZ-CE1 4.22Å; F253-L255 HydrophobicContact CD2-CD1 3.73Å; F253-L255 HydrophobicContact CD2-CD2 4.25Å; F253-L255 HydrophobicContact CD2-CG 3.52Å; F253-L255 HydrophobicContact CE2-CD1 3.46Å; F253-L255 VanDerWaalsContact CE2-CD1 3.46Å; F253-L255 HydrophobicContact CE2-CG 3.81Å
254K85.8Confident74.1Confident21 Ų2149.1 Ų49.19%0.09128%0.276CS..EExtended strand (participates in β ladder)0117.20179.3-179.9177.9179.70109V47 Y49 Q176 S177V47-K254 HydrophobicContact CG1-CG 3.98Å; Y49-K254 HydrophobicContact CD1-CB 4.27Å; Y49-K254 HydrophobicContact CD1-CG 4.13Å; Y49-K254 HydrophobicContact CE1-CB 4.15Å; Y49-K254 HydrophobicContact CE1-CD 3.67Å; Y49-K254 HydrophobicContact CE1-CG 3.64Å; Y49-K254 WeakPolarHBondContact OH-CE 3.01Å; Q176-K254 HydrophobicContact CB-CB 4.23Å; Q176-K254 HydrophobicContact CB-CD 3.96Å; Q176-K254 HydrophobicContact CB-CG 4.2Å; Q176-K254 HydrophobicContact CG-CD 4.23Å; Q176-K254 PolarHBondContact N-O 3.36Å; S177-K254 PolarHBondContact O-N 2.91Å; S177-K254 VanDerWaalsContact OG-CB 3.26Å; S177-K254 WeakPolarHBondContact OG-CB 2.88Å; S177-K254 PolarHBondContact OG-N 2.92Å
255L88.4Confident74.7Confident0 Ų049.7 Ų49.70%028%0.28CS..EExtended strand (participates in β ladder)trans-111.2136.2179-59.8172.8000110.2V47 I48 R174 F175 L193 I234 F253 L257V47-L255 CarbonylContact C-O 3.53Å; V47-L255 VanDerWaalsContact CA-O 3.26Å; V47-L255 WeakPolarHBondContact CA-O 2.96Å; I48-L255 HydrophobicContact CB-CB 4.21Å; I48-L255 PolarHBondContact N-O 2.87Å; I48-L255 PolarHBondContact O-N 3.35Å; R174-L255 WeakPolarHBondContact O-CA 2.96Å; F175-L255 HydrophobicContact CD1-CD2 3.01Å; F175-L255 HydrophobicContact CD2-CD2 4.42Å; F175-L255 HydrophobicContact CE1-CD2 2.98Å; F175-L255 HydrophobicContact CE1-CG 4.4Å; F175-L255 HydrophobicContact CE2-CD2 4.4Å; F175-L255 HydrophobicContact CG-CD2 3.78Å; F175-L255 HydrophobicContact CZ-CD2 3.75Å; L193-L255 HydrophobicContact CD2-CD1 4.41Å; I234-L255 HydrophobicContact CD1-CD1 4.34Å; I234-L255 HydrophobicContact CG2-CD1 4.45Å; F253-L255 HydrophobicContact CD2-CD1 3.73Å; F253-L255 HydrophobicContact CD2-CD2 4.25Å; F253-L255 HydrophobicContact CD2-CG 3.52Å; F253-L255 HydrophobicContact CE2-CD1 3.46Å; F253-L255 VanDerWaalsContact CE2-CD1 3.46Å; F253-L255 HydrophobicContact CE2-CG 3.81Å; L255-L257 HydrophobicContact CB-CD1 3.95Å
256I86.7Confident75.3Confident4 Ų451 Ų512%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-111.7119.6175.4-61.4173.1000107.8I173 R174 I361I173-I256 WeakPolarHBondContact CA-O 2.57Å; R174-I256 HydrophobicContact CB-CB 4.24Å; R174-I256 PolarHBondContact N-O 3.32Å; R174-I256 PolarHBondContact O-N 3.48Å; I256-I361 HydrophobicContact CD1-CG2 3.89Å; I256-I361 HydrophobicContact CG1-CG2 4.36Å; I256-I361 HydrophobicContact CG2-CG2 3.98Å
257L90.1Very high76.2Confident0 Ų046.1 Ų46.10%026%0.263CS..EExtended strand (participates in β ladder)trans-110.9131.2178.2-69.385.6000110.2L43 G45 A46 I48 V163 I171 M172 I173 V232 I234 L255L43-L257 HydrophobicContact CD1-CB 3.92Å; L43-L257 HydrophobicContact CD2-CB 3.86Å; G45-L257 CarbonylContact C-O 3.5Å; G45-L257 VanDerWaalsContact CA-O 3.3Å; G45-L257 WeakPolarHBondContact CA-O 1.93Å; A46-L257 PolarHBondContact N-O 2.74Å; A46-L257 PolarHBondContact O-N 3.22Å; I48-L257 HydrophobicContact CB-CD1 4.46Å; I48-L257 HydrophobicContact CD1-CD1 3.48Å; I48-L257 VanDerWaalsContact CD1-CD1 3.48Å; I48-L257 HydrophobicContact CD1-CD2 4.31Å; I48-L257 HydrophobicContact CG1-CD1 3.82Å; V163-L257 HydrophobicContact CB-CD2 4.34Å; V163-L257 HydrophobicContact CG1-CD2 4.16Å; V163-L257 HydrophobicContact CG2-CD2 3.85Å; I171-L257 HydrophobicContact CG2-CB 4.42Å; I171-L257 HydrophobicContact CG2-CD2 4.4Å; M172-L257 CarbonylContact O-C 3.56Å; M172-L257 VanDerWaalsContact O-CA 3.29Å; M172-L257 WeakPolarHBondContact O-CA 3.27Å; I173-L257 HydrophobicContact CG1-CD2 4.46Å; I173-L257 HydrophobicContact CG1-CG 4.26Å; V232-L257 HydrophobicContact CG1-CD2 4.19Å; I234-L257 HydrophobicContact CD1-CD2 3.86Å; L255-L257 HydrophobicContact CB-CD1 3.95Å
258T87.3Confident77Confident0 Ų044.8 Ų44.80%026%0.261CS..EExtended strand (participates in β ladder)trans-137.4134.7-178.1-55.80000108.7I171 M172 I260 I352 L356 H363I171-T258 CarbonylContact C-O 3.48Å; I171-T258 WeakPolarHBondContact CA-O 3.49Å; M172-T258 PolarHBondContact N-O 3.46Å; M172-T258 PolarHBondContact O-N 3.41Å; T258-I260 HydrophobicContact CG2-CG2 4.31Å; T258-I352 HydrophobicContact CG2-CD1 4.37Å; T258-I352 HydrophobicContact CG2-CG1 4.28Å; T258-I352 HydrophobicContact CG2-CG2 3.62Å; T258-L356 HydrophobicContact CG2-CD1 3.47Å; T258-L356 VanDerWaalsContact CG2-CD1 3.47Å; T258-H363 HydrophobicContact CG2-CB 4.38Å; T258-H363 PolarHBondContact OG1-ND1 3.47Å
259A87.5Confident77.9Confident15 Ų1537.4 Ų37.412%0.12422%0.223CC..EExtended strand (participates in β ladder)trans-76.40173.200000110.6T44 R170T44-A259 PolarHBondContact O-N 3.36Å; R170-A259 CarbonylContact O-C 3.58Å
260I88.2Confident78.3Confident1 Ų140 Ų401%0.00523%0.234CC..EExtended strand (participates in β ladder)0152.3057.6169000108S169 R170 M172 F226 T258 Y350 C351 I352S169-I260 CarbonylContact C-O 3.51Å; S169-I260 WeakPolarHBondContact CA-O 2.58Å; S169-I260 WeakPolarHBondContact CB-O 2.96Å; R170-I260 HydrophobicContact CB-CD1 4.34Å; R170-I260 HydrophobicContact CB-CG1 3.91Å; R170-I260 PolarHBondContact N-O 2.68Å; R170-I260 VanDerWaalsContact O-CG1 3.24Å; R170-I260 WeakPolarHBondContact O-CG1 3.26Å; R170-I260 PolarHBondContact O-N 3.5Å; M172-I260 HydrophobicContact CB-CD1 4Å; M172-I260 HydrophobicContact CB-CG1 4.37Å; M172-I260 HydrophobicContact CB-CG2 3.77Å; F226-I260 HydrophobicContact CD1-CD1 3.04Å; F226-I260 HydrophobicContact CD1-CG1 4.46Å; F226-I260 HydrophobicContact CE1-CD1 3.24Å; F226-I260 HydrophobicContact CG-CD1 4.31Å; T258-I260 HydrophobicContact CG2-CG2 4.31Å; I260-Y350 HydrophobicContact CB-CD2 4.34Å; I260-Y350 HydrophobicContact CG2-CD2 3.9Å; I260-Y350 HydrophobicContact CG2-CE2 4.44Å; I260-C351 WeakPolarHBondContact CA-O 2.94Å; I260-I352 HydrophobicContact CG2-CG1 4.1Å
261T85.6Confident78Confident32 Ų3244.3 Ų44.320%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-121.4138.2172.252.70000109A263 E273 Y350 C351T261-A263 PolarHBondContact O-N 2.81Å; T261-E273 PolarHBondContact OG1-OE2 3Å; T261-Y350 CarbonylContact O-C 2.95Å; T261-Y350 WeakPolarHBondContact O-CA 2.84Å; T261-C351 PolarHBondContact N-O 3.04Å; T261-C351 PolarHBondContact O-N 3.19Å; T261-C351 WeakPolarHBondContact OG1-CB 2.76Å; T261-C351 PolarHBondContact OG1-O 2.81Å
262D81Confident77.9Confident96 Ų9649 Ų4951%0.51328%0.283SS..EExtended strand (participates in β ladder)trans-64.4134.1-179.7-70.1-28.5000110.6R170R170-D262 VanDerWaalsContact CZ-CG 3.43Å; R170-D262 IonicContact CZ-OD1 3.16Å; R170-D262 IonicContact CZ-OD2 1.77Å; R170-D262 VanDerWaalsContact CZ-OD2 3.3Å; R170-D262 IonicContact NE-OD1 2.04Å; R170-D262 PolarHBondContact NE-OD1 2.02Å; R170-D262 VanDerWaalsContact NE-OD1 3.16Å; R170-D262 IonicContact NE-OD2 2.77Å; R170-D262 PolarHBondContact NE-OD2 2.74Å; R170-D262 IonicContact NH1-OD1 2.69Å; R170-D262 CovalentContact NH2-OD1 1.77Å; R170-D262 IonicContact NH2-OD1 3.91Å; R170-D262 PolarHBondContact NH2-OD1 3.15Å; R170-D262 IonicContact NH2-OD2 3.16Å; R170-D262 PolarHBondContact NH2-OD2 2.83Å
263A76.7Confident77.9Confident12 Ų1250.9 Ų50.910%0.09929%0.292CS..PPolyproline II helixtrans-71.9135.4-179.300000109.9T261 F275 G349T261-A263 PolarHBondContact O-N 2.81Å; A263-F275 HydrophobicContact CB-CD2 3.57Å; A263-F275 HydrophobicContact CB-CE2 3.35Å; A263-G349 WeakPolarHBondContact CB-O 3.23Å
264K71.3Confident77.6Confident135 Ų13552.8 Ų52.859%0.58730%0.3SS*.BIsolated β-bridgetrans-62.40171.8-67.7-177.9-177.9179.20111.1A266 G267 V268K264-A266 PolarHBondContact O-N 3.26Å; K264-G267 PolarHBondContact O-N 2.69Å; K264-G267 VanDerWaalsContact O-N 3.16Å; K264-V268 HydrophobicContact CB-CB 4.43Å; K264-V268 PolarHBondContact N-O 2.38Å
265S59.4Low77.4Confident101 Ų10152.7 Ų52.771%0.70630%0.3SS*.THydrogen-bonded Turn096.30-11.70000111.3
266A59.2Low77.1Confident76 Ų7652.7 Ų52.763%0.62830%0.3SS*.THydrogen-bonded Turntrans133.312.7173.500000110.2K264 V268K264-A266 PolarHBondContact O-N 3.26Å; A266-V268 VanDerWaalsContact C-N 3.29Å; A266-V268 HydrophobicContact CB-CG2 3.96Å; A266-V268 PolarHBondContact O-N 3.39Å
267G64.5Low76.5Confident21 Ų2152.6 Ų52.622%0.21630%0.3CS..THydrogen-bonded Turntrans76.40178.100000112.1K264 F275K264-G267 PolarHBondContact O-N 2.69Å; K264-G267 VanDerWaalsContact O-N 3.16Å; G267-F275 VanDerWaalsContact CA-CE2 3.46Å
268V68Low75.2Confident83 Ų8358.6 Ų58.650%0.50333%0.328SS..BIsolated β-bridge000-179.80000108.4K264 A266K264-V268 HydrophobicContact CB-CB 4.43Å; K264-V268 PolarHBondContact N-O 2.38Å; A266-V268 VanDerWaalsContact C-N 3.29Å; A266-V268 HydrophobicContact CB-CG2 3.96Å; A266-V268 PolarHBondContact O-N 3.39Å
269C79Confident73.9Confident24 Ų2462.4 Ų62.416%0.16235%0.347CS..  0143.20-660000109.8E273 F275 C351C269-E273 HydrophobicContact CB-CB 3.82Å; C269-F275 WeakPolarHBondContact SG-CA 3.36Å; C269-F275 VanDerWaalsContact SG-CB 3.54Å; C269-C351 WeakPolarHBondContact CA-SG 3.45Å; C269-C351 HydrophobicContact CB-CB 3.69Å; C269-C351 WeakPolarHBondContact CB-SG 3.25Å; C269-C351 WeakPolarHBondContact SG-CB 3.44Å; C269-C351 CovalentContact SG-SG 1.89Å; C269-C351 PolarHBondContact SG-SG 2.12Å
270E74.5Confident71.8Confident130 Ų13067.5 Ų67.561%0.60738%0.382SS*.  trans-54.40176.5-69.4-178177.800111.3N272 E273E270-N272 PolarHBondContact O-N 3.01Å; E270-E273 PolarHBondContact O-N 2.58Å; E270-E273 VanDerWaalsContact O-N 3.15Å
271N62Low69.7Low160 Ų16070 Ų7086%0.85640%0.397SS*.THydrogen-bonded Turn000-68.6-17.9000111.3
272N75.4Confident67.4Low117 Ų11774.5 Ų74.563%0.62642%0.416SS*.THydrogen-bonded Turn011.40-72.1-4.9000110.2E270 R354E270-N272 PolarHBondContact O-N 3.01Å; N272-R354 VanDerWaalsContact C-CG 3.48Å; N272-R354 VanDerWaalsContact O-CB 3.23Å; N272-R354 WeakPolarHBondContact O-CB 2.96Å; N272-R354 WeakPolarHBondContact O-CG 3.35Å; N272-R354 PolarHBondContact O-N 2.84Å
273E80.5Confident65.1Low39 Ų3975.4 Ų75.418%0.18243%0.427CS..EExtended strand (participates in β ladder)trans-124148.1177-63.7179.1164.200109.9T261 C269 E270 C351 I352T261-E273 PolarHBondContact OG1-OE2 3Å; C269-E273 HydrophobicContact CB-CB 3.82Å; E270-E273 PolarHBondContact O-N 2.58Å; E270-E273 VanDerWaalsContact O-N 3.15Å; E273-C351 HydrophobicContact CB-CB 3.96Å; E273-C351 WeakPolarHBondContact OE2-CB 3.08Å; E273-I352 CarbonylContact C-O 3.21Å; E273-I352 WeakPolarHBondContact CA-O 3.32Å; E273-I352 VanDerWaalsContact CB-O 3.22Å; E273-I352 WeakPolarHBondContact CB-O 3.21Å
274F78Confident63.2Low41 Ų4178 Ų7818%0.1845%0.445CS..EExtended strand (participates in β ladder)trans-108.9139.1-179.7150-96.4000108.6C276 C351 I352 R354 C364 R368 D369F274-C276 WeakPolarHBondContact CD1-SG 3.3Å; F274-C276 HydrophobicContact CE1-CB 4.25Å; F274-C276 WeakPolarHBondContact CE1-SG 3.23Å; F274-C351 CarbonylContact O-C 3.48Å; F274-C351 VanDerWaalsContact O-CA 3.25Å; F274-C351 WeakPolarHBondContact O-CA 3.35Å; F274-I352 PolarHBondContact N-O 3.23Å; F274-I352 PolarHBondContact O-N 3.35Å; F274-R354 HydrophobicContact CB-CG 4.4Å; F274-C364 VanDerWaalsContact CD1-SG 3.56Å; F274-C364 HydrophobicContact CE1-CB 4.16Å; F274-C364 WeakPolarHBondContact CE1-SG 3.48Å; F274-R368 HydrophobicContact CE1-CB 3.49Å; F274-R368 VanDerWaalsContact CE1-CB 3.49Å; F274-R368 HydrophobicContact CE2-CB 3.47Å; F274-R368 VanDerWaalsContact CE2-CB 3.47Å; F274-R368 HydrophobicContact CE2-CG 4.37Å; F274-R368 VanDerWaalsContact CZ-C 3.44Å; F274-R368 HydrophobicContact CZ-CB 2.59Å; F274-R368 HydrophobicContact CZ-CG 3.73Å; F274-D369 HydrophobicContact CD1-CB 4.35Å; F274-D369 HydrophobicContact CE1-CB 4.11Å
275F82.6Confident61.7Low20 Ų2078.4 Ų78.49%0.08845%0.449CS..EExtended strand (participates in β ladder)trans-81.6132.1-175.4174.8-102.8000109.9A263 G267 C269 G277 I279 Y350A263-F275 HydrophobicContact CB-CD2 3.57Å; A263-F275 HydrophobicContact CB-CE2 3.35Å; G267-F275 VanDerWaalsContact CA-CE2 3.46Å; C269-F275 WeakPolarHBondContact SG-CA 3.36Å; C269-F275 VanDerWaalsContact SG-CB 3.54Å; F275-G277 VanDerWaalsContact CE1-C 3.5Å; F275-G277 WeakPolarHBondContact CE1-O 3.31Å; F275-I279 HydrophobicContact CD1-CD1 4.41Å; F275-I279 HydrophobicContact CD1-CG1 4.07Å; F275-I279 HydrophobicContact CE1-CD1 4.37Å; F275-I279 HydrophobicContact CE1-CG1 3.53Å; F275-I279 HydrophobicContact CZ-CG1 4.31Å; F275-Y350 CarbonylContact C-O 3.47Å
276C80.6Confident60.6Low0 Ų077.1 Ų77.10%043%0.433CS..EExtended strand (participates in β ladder)trans-120.1110.6177-66.70000108.7F274 G349 Y350 I352 C364F274-C276 WeakPolarHBondContact CD1-SG 3.3Å; F274-C276 HydrophobicContact CE1-CB 4.25Å; F274-C276 WeakPolarHBondContact CE1-SG 3.23Å; C276-G349 CarbonylContact O-C 2.76Å; C276-G349 WeakPolarHBondContact O-CA 3.48Å; C276-Y350 VanDerWaalsContact CA-O 3.3Å; C276-Y350 WeakPolarHBondContact CA-O 3.24Å; C276-Y350 HydrophobicContact CB-CD1 4.4Å; C276-Y350 HydrophobicContact CB-CD2 3.42Å; C276-Y350 VanDerWaalsContact CB-CD2 3.42Å; C276-Y350 HydrophobicContact CB-CE1 4.14Å; C276-Y350 HydrophobicContact CB-CE2 3.08Å; C276-Y350 HydrophobicContact CB-CG 4.08Å; C276-Y350 VanDerWaalsContact CB-CZ 3.48Å; C276-Y350 WeakPolarHBondContact CB-O 3.22Å; C276-Y350 PolarHBondContact N-O 3.13Å; C276-Y350 PolarHBondContact O-N 2.33Å; C276-Y350 VanDerWaalsContact O-O 3.12Å; C276-I352 HydrophobicContact CB-CD1 4.13Å; C276-I352 WeakPolarHBondContact SG-CD1 2.75Å; C276-C364 HydrophobicContact CB-CB 3.91Å; C276-C364 WeakPolarHBondContact CB-SG 3.15Å; C276-C364 WeakPolarHBondContact SG-CB 3.45Å; C276-C364 CovalentContact SG-SG 1.78Å; C276-C364 PolarHBondContact SG-SG 3.05Å
277G74.3Confident59.3Low2 Ų275.9 Ų75.92%0.02142%0.42CS..SBendtrans157.1175.3178.300000109.9F275 G349 H365 N366 R368F275-G277 VanDerWaalsContact CE1-C 3.5Å; F275-G277 WeakPolarHBondContact CE1-O 3.31Å; G277-G349 VanDerWaalsContact CA-CA 3.45Å; G277-H365 VanDerWaalsContact CA-CE1 3.45Å; G277-H365 WeakPolarHBondContact CA-CE1 3.49Å; G277-N366 PolarHBondContact O-ND2 3.13Å; G277-R368 PolarHBondContact O-NH1 3.49Å
278H63.8Low57.9Low125 Ų12583.6 Ų83.658%0.57944%0.444SS*.  trans-86.40179.3-80-79.3000110.3S280H278-S280 PolarHBondContact O-N 2.82Å
279I59.3Low56.3Low81 Ų8187.9 Ų87.942%0.41546%0.461SS..  000-62.6165.8000108.6F275 V281F275-I279 HydrophobicContact CD1-CD1 4.41Å; F275-I279 HydrophobicContact CD1-CG1 4.07Å; F275-I279 HydrophobicContact CE1-CD1 4.37Å; F275-I279 HydrophobicContact CE1-CG1 3.53Å; F275-I279 HydrophobicContact CZ-CG1 4.31Å; I279-V281 HydrophobicContact CB-CG2 4.11Å; I279-V281 HydrophobicContact CG2-CG2 3.22Å; I279-V281 PolarHBondContact O-N 3.11Å
280S44.4Very low54.4Low121 Ų12194.2 Ų94.285%0.84649%0.488SS*.  074.60177.40000110.9H278 E282H278-S280 PolarHBondContact O-N 2.82Å; S280-E282 PolarHBondContact O-N 2.83Å
281V43.3Very low52.5Low54 Ų5496.2 Ų96.233%0.32749%0.49SS..  trans-73.40174.2-175.20000108.5I279 P283 L286I279-V281 HydrophobicContact CB-CG2 4.11Å; I279-V281 HydrophobicContact CG2-CG2 3.22Å; I279-V281 PolarHBondContact O-N 3.11Å; V281-P283 WeakPolarHBondContact O-CD 3.31Å; V281-P283 VanDerWaalsContact O-N 3.17Å; V281-L286 HydrophobicContact CB-CD1 3.57Å; V281-L286 HydrophobicContact CG1-CB 4.1Å; V281-L286 HydrophobicContact CG1-CD1 2.6Å; V281-L286 HydrophobicContact CG1-CG 3.92Å; V281-L286 HydrophobicContact CG2-CD1 3.94Å
282E36.9Very low51.3Low127 Ų12794.6 Ų94.659%0.59348%0.481SS*.  0107.20-134.8-175.6172.900111.5S280 S284 Q285S280-E282 PolarHBondContact O-N 2.83Å; E282-S284 PolarHBondContact O-N 3.37Å; E282-Q285 PolarHBondContact O-N 2.96Å; E282-Q285 VanDerWaalsContact O-N 3.09Å
283P34.3Very low49.5Very low114 Ų11498.8 Ų98.874%0.7449%0.493SS*.Hα-helixtrans-36.4-3.8176.8-4.68.4000111.7V281 Q285V281-P283 WeakPolarHBondContact O-CD 3.31Å; V281-P283 VanDerWaalsContact O-N 3.17Å; P283-Q285 PolarHBondContact O-N 3.36Å
284S37Very low47.3Very low68 Ų68108.2 Ų108.248%0.47653%0.527SS..Hα-helixtrans-102.5-2.3-176.3550000110.9E282 S287E282-S284 PolarHBondContact O-N 3.37Å; S284-S287 PolarHBondContact O-OG 2.65Å
285Q38.5Very low45.2Very low143 Ų143109.5 Ų109.567%0.66854%0.541SS*.Hα-helixtrans-110.3-1.6177.1-71.3-150.9-4.500110.5E282 P283E282-Q285 PolarHBondContact O-N 2.96Å; E282-Q285 VanDerWaalsContact O-N 3.09Å; P283-Q285 PolarHBondContact O-N 3.36Å
286L37.3Very low42.9Very low73 Ų73115.7 Ų115.738%0.38257%0.574SS.*Hα-helixtrans-94.2-7.9176.2-129.692.5000110V281 Y288V281-L286 HydrophobicContact CB-CD1 3.57Å; V281-L286 HydrophobicContact CG1-CB 4.1Å; V281-L286 HydrophobicContact CG1-CD1 2.6Å; V281-L286 HydrophobicContact CG1-CG 3.92Å; V281-L286 HydrophobicContact CG2-CD1 3.94Å; L286-Y288 VanDerWaalsContact C-N 3.3Å; L286-Y288 PolarHBondContact O-N 2.81Å
287S32.3Very low40.8Very low51 Ų51121.6 Ų121.636%0.35761%0.61SS.*Hα-helixtrans-94.5-0.8173.965.30000110.6S284 R291S284-S287 PolarHBondContact O-OG 2.65Å; S287-R291 WeakPolarHBondContact O-CB 3.19Å
288Y34.2Very low39.1Very low182 Ų182128.8 Ų128.871%0.71465%0.648SS**Hα-helixtrans-111.60179.1-100.3-88.3000110.3L286L286-Y288 VanDerWaalsContact C-N 3.3Å; L286-Y288 PolarHBondContact O-N 2.81Å
289M35Very low37.8Very low174 Ų174129.9 Ų129.986%0.85766%0.663SS**Hα-helix000-86.1-127.9128.300110
290H38.4Very low36.7Very low157 Ų157133.8 Ų133.873%0.72768%0.684SS**Hα-helix07.80-97.8-69.1000110.2
291R35.1Very low36.3Very low172 Ų172135.5 Ų135.565%0.64968%0.684SS**SBendtrans-118.40178.4-118.2-177.5-170.8167-0.6109.8S287S287-R291 WeakPolarHBondContact O-CB 3.19Å
292N36.2Very low35.9Very low125 Ų125137.9 Ų137.967%0.66870%0.703SS**THydrogen-bonded Turn000-110.6-3.1000110.3
293K38.7Very low35.7Very low205 Ų205137.1 Ų137.189%0.89171%0.711SS**THydrogen-bonded Turn000-98.2-176.3-175.9-179.10109.5
294R33.7Very low36Very low238 Ų238138.5 Ų138.590%0.89871%0.712SS**THydrogen-bonded Turn000-110.1-178.8-172.3174-0.9109.4
295S32.6Very low35.9Very low67 Ų67145 Ų14547%0.46973%0.732SS.*  00065.70000109.5
296I35.6Very low36Very low150 Ų150144.1 Ų144.177%0.76974%0.737SS**SBend000-66.8172.6000108.6
297T36.4Very low35.8Very low124 Ų124148.5 Ų148.576%0.76176%0.761SS**SBend00026.20000108.9
298N38.4Very low36.1Very low153 Ų153156.3 Ų156.382%0.81878%0.784SS**SBend000-84.1-12.3000109.6
299V36.8Very low36Very low148 Ų148153.6 Ų153.690%0.89779%0.791SS**SBend000176.50000108.2
300L36.6Very low36.4Very low163 Ų163150.3 Ų150.385%0.85378%0.781SS**SBend000-98.5132.9000109.1
301N34.8Very low36.2Very low158 Ų158151 Ų15185%0.84579%0.79SS**  056.60-82.3-12.2000109.5
302S34.6Very low36.5Very low104 Ų104149.7 Ų149.773%0.72780%0.795SS**  trans-144.377.3160.9136.80000109.4
303S33.8Very low37Very low110 Ų110151.5 Ų151.577%0.76980%0.799SS**  trans-38.983.4140.658.70000111.8
304D40.8Very low37.1Very low143 Ų143147.5 Ų147.577%0.76579%0.794SS**  trans-130.292.9156.8-87.2-19.6000109.4
305K33.9Very low37.8Very low206 Ų206140.2 Ų140.290%0.89677%0.772SS**  -6.187124-86.4-175.2-177.4175.30111.6
306T40.2Very low38.9Very low123 Ų123140.9 Ų140.976%0.75577%0.773SS**  trans-148.10150.548.30000108.9
307N34.7Very low39.7Very low166 Ų166139.2 Ų139.289%0.88877%0.77SS**  086.50-80.9-17.9000111.9
308Y37.9Very low40.8Very low215 Ų215140.9 Ų140.984%0.84377%0.767SS**  trans-1320152.7-92.7-83000109.3
309S31.4Very low41.9Very low124 Ų124138.5 Ų138.587%0.86775%0.751SS**  082.10-166.80000111.6
310T43.8Very low43.2Very low106 Ų106135.4 Ų135.465%0.6573%0.729SS**  trans-134.499.2157.414.40000109I312T310-I312 VanDerWaalsContact O-CG1 3.32Å; T310-I312 WeakPolarHBondContact O-CG1 3.41Å; T310-I312 PolarHBondContact O-N 3.02Å
311D34.7Very low44.4Very low171 Ų171132.9 Ų132.991%0.91472%0.715SS**  trans13.174.7138.3-97.9-15.2000111.5
312I41.1Very low46Very low145 Ų145131.3 Ų131.374%0.74470%0.703SS**  trans-99.987.1173.5-62.3175000108.4T310T310-I312 VanDerWaalsContact O-CG1 3.32Å; T310-I312 WeakPolarHBondContact O-CG1 3.41Å; T310-I312 PolarHBondContact O-N 3.02Å
313Q46.9Very low47.5Very low163 Ų163131.5 Ų131.576%0.76270%0.696SS**  trans-2.60146-79.5-151-0.600111.8I315Q313-I315 PolarHBondContact O-N 3.39Å
314P40.3Very low49.3Very low121 Ų121130.4 Ų130.479%0.78668%0.68SS**  069021.6-2.6000111.7T316P314-T316 PolarHBondContact O-N 3.46Å; P314-T316 VanDerWaalsContact O-N 3.11Å
315I49.5Very low50.9Low84 Ų84127.4 Ų127.443%0.43167%0.667SS.*  trans-48.995.4163.2-62.9167.4000109.7Q313 T317 Q319 I320Q313-I315 PolarHBondContact O-N 3.39Å; I315-T317 PolarHBondContact O-N 2.97Å; I315-T317 VanDerWaalsContact O-N 3.08Å; I315-Q319 HydrophobicContact CG2-CB 3.53Å; I315-I320 HydrophobicContact CB-CD1 4.32Å; I315-I320 HydrophobicContact CB-CG1 4.26Å; I315-I320 HydrophobicContact CG2-CD1 4.17Å; I315-I320 HydrophobicContact CG2-CG1 3.55Å
316T55.8Low52.5Low81 Ų81124 Ų12450%0.49765%0.654SS.*  trans-34.7104.3176.336.60000111P314 K318 Q319 I320P314-T316 PolarHBondContact O-N 3.46Å; P314-T316 VanDerWaalsContact O-N 3.11Å; T316-K318 CarbonylContact O-C 3.45Å; T316-K318 WeakPolarHBondContact O-CA 3.3Å; T316-K318 PolarHBondContact O-N 3.42Å; T316-Q319 WeakPolarHBondContact O-CA 3.29Å; T316-Q319 PolarHBondContact O-N 3.23Å; T316-I320 PolarHBondContact O-N 2.7Å
317T51.1Low54.1Low115 Ų115124.9 Ų124.971%0.70665%0.648SS**Hα-helixtrans-15.6-18.9167.6-23.30000111.2I315 L321I315-T317 PolarHBondContact O-N 2.97Å; I315-T317 VanDerWaalsContact O-N 3.08Å; T317-L321 VanDerWaalsContact O-CB 3.24Å; T317-L321 WeakPolarHBondContact O-CB 3.43Å; T317-L321 PolarHBondContact O-N 2.72Å
318K59.3Low55.6Low160 Ų160120.8 Ų120.870%0.69663%0.626SS**Hα-helixtrans-85.4-28.4179.9-138.3179.4177.3179.50111.3T316 L321 Q322T316-K318 CarbonylContact O-C 3.45Å; T316-K318 WeakPolarHBondContact O-CA 3.3Å; T316-K318 PolarHBondContact O-N 3.42Å; K318-L321 PolarHBondContact O-N 2.72Å; K318-Q322 WeakPolarHBondContact O-CB 3.36Å; K318-Q322 PolarHBondContact O-N 2.74Å
319Q61.5Low57Low102 Ų102115.2 Ų115.248%0.47761%0.61SS.*Hα-helixtrans-82.3-26.9-179.6-81.1177-11.800111.3I315 T316 L321 Q322 N323I315-Q319 HydrophobicContact CG2-CB 3.53Å; T316-Q319 WeakPolarHBondContact O-CA 3.29Å; T316-Q319 PolarHBondContact O-N 3.23Å; Q319-L321 VanDerWaalsContact C-N 3.33Å; Q319-Q322 PolarHBondContact O-N 2.69Å; Q319-N323 WeakPolarHBondContact O-CB 3.39Å; Q319-N323 PolarHBondContact O-N 2.79Å
320I64Low58.4Low84 Ų84112.7 Ų112.743%0.43159%0.592SS.*Hα-helixtrans-78.7-29.7176.8-68.1172.9000109.2I315 T316 Q322 N323 I324I315-I320 HydrophobicContact CB-CD1 4.32Å; I315-I320 HydrophobicContact CB-CG1 4.26Å; I315-I320 HydrophobicContact CG2-CD1 4.17Å; I315-I320 HydrophobicContact CG2-CG1 3.55Å; T316-I320 PolarHBondContact O-N 2.7Å; I320-Q322 VanDerWaalsContact C-N 3.34Å; I320-N323 PolarHBondContact O-N 2.9Å; I320-I324 HydrophobicContact CG2-CD1 3.63Å; I320-I324 HydrophobicContact CG2-CG1 4.24Å; I320-I324 WeakPolarHBondContact O-CB 3.47Å; I320-I324 WeakPolarHBondContact O-CD1 3.12Å; I320-I324 WeakPolarHBondContact O-CG1 3.49Å; I320-I324 PolarHBondContact O-N 3Å
321L63.3Low59.1Low110 Ų110112.5 Ų112.558%0.57658%0.584SS**Hα-helixtrans-80.1-26.2179.7-135.2101.6000110.4T317 K318 Q319 I324 V325T317-L321 VanDerWaalsContact O-CB 3.24Å; T317-L321 WeakPolarHBondContact O-CB 3.43Å; T317-L321 PolarHBondContact O-N 2.72Å; K318-L321 PolarHBondContact O-N 2.72Å; Q319-L321 VanDerWaalsContact C-N 3.33Å; L321-I324 PolarHBondContact O-N 3.33Å; L321-V325 VanDerWaalsContact O-CB 3.29Å; L321-V325 WeakPolarHBondContact O-CB 3.42Å; L321-V325 WeakPolarHBondContact O-CG2 3.37Å; L321-V325 PolarHBondContact O-N 3.41Å
322Q67.7Low60.2Low125 Ų125107.8 Ų107.858%0.58456%0.561SS**Hα-helixtrans-78.4-32.3177.6-100.3178-700110.8K318 Q319 I320 I324 V325 Q326K318-Q322 WeakPolarHBondContact O-CB 3.36Å; K318-Q322 PolarHBondContact O-N 2.74Å; Q319-Q322 PolarHBondContact O-N 2.69Å; I320-Q322 VanDerWaalsContact C-N 3.34Å; Q322-I324 VanDerWaalsContact C-N 3.34Å; Q322-V325 PolarHBondContact O-N 3.06Å; Q322-Q326 VanDerWaalsContact O-CB 3.28Å; Q322-Q326 WeakPolarHBondContact O-CB 3.32Å; Q322-Q326 PolarHBondContact O-N 3.12Å
323N65.4Low60.8Low108 Ų108107.5 Ų107.558%0.57856%0.555SS**Hα-helixtrans-75.50177.8-89.2-9.4000111.5Q319 I320 K327Q319-N323 WeakPolarHBondContact O-CB 3.39Å; Q319-N323 PolarHBondContact O-N 2.79Å; I320-N323 PolarHBondContact O-N 2.9Å; N323-K327 VanDerWaalsContact O-CB 3.23Å; N323-K327 WeakPolarHBondContact O-CB 3.19Å; N323-K327 PolarHBondContact O-N 2.47Å
324I71.9Confident61.1Low87 Ų87102.2 Ų102.245%0.44654%0.535SS..Hα-helix0-29.70-69.6174.2000109.1I320 L321 Q322 N328I320-I324 HydrophobicContact CG2-CD1 3.63Å; I320-I324 HydrophobicContact CG2-CG1 4.24Å; I320-I324 WeakPolarHBondContact O-CB 3.47Å; I320-I324 WeakPolarHBondContact O-CD1 3.12Å; I320-I324 WeakPolarHBondContact O-CG1 3.49Å; I320-I324 PolarHBondContact O-N 3Å; L321-I324 PolarHBondContact O-N 3.33Å; Q322-I324 VanDerWaalsContact C-N 3.34Å; I324-N328 WeakPolarHBondContact CG2-ND2 3.01Å; I324-N328 VanDerWaalsContact O-CB 3.31Å; I324-N328 WeakPolarHBondContact O-CB 3.46Å; I324-N328 PolarHBondContact O-N 3.41Å; I324-N328 PolarHBondContact O-ND2 3.48Å
325V73.7Confident61.7Low80 Ų80100.8 Ų100.849%0.48552%0.52SS..Hα-helixtrans-79.90-179.1172.60000108.9L321 Q322 N328 L329L321-V325 VanDerWaalsContact O-CB 3.29Å; L321-V325 WeakPolarHBondContact O-CB 3.42Å; L321-V325 WeakPolarHBondContact O-CG2 3.37Å; L321-V325 PolarHBondContact O-N 3.41Å; Q322-V325 PolarHBondContact O-N 3.06Å; V325-N328 PolarHBondContact O-N 3.24Å; V325-L329 VanDerWaalsContact O-CB 3.23Å; V325-L329 WeakPolarHBondContact O-CB 3.39Å; V325-L329 PolarHBondContact O-N 2.82Å
326Q68.9Low61.6Low134 Ų134103.3 Ų103.363%0.62653%0.528SS*.Hα-helix0-30.30-116.7174.1-8.900111.1Q322 L329 S330Q322-Q326 VanDerWaalsContact O-CB 3.28Å; Q322-Q326 WeakPolarHBondContact O-CB 3.32Å; Q322-Q326 PolarHBondContact O-N 3.12Å; Q326-L329 PolarHBondContact O-N 2.73Å; Q326-S330 WeakPolarHBondContact O-CB 3.25Å; Q326-S330 PolarHBondContact O-N 2.75Å; Q326-S330 PolarHBondContact O-OG 2.81Å
327K74Confident61.2Low142 Ų142104.5 Ų104.562%0.61753%0.531SS*.Hα-helixtrans-760177.4-163.8177.3175.31780110.6N323 S330 E331N323-K327 VanDerWaalsContact O-CB 3.23Å; N323-K327 WeakPolarHBondContact O-CB 3.19Å; N323-K327 PolarHBondContact O-N 2.47Å; K327-S330 PolarHBondContact O-OG 3.42Å; K327-E331 WeakPolarHBondContact O-CB 2.98Å; K327-E331 PolarHBondContact O-N 2.45Å; K327-E331 VanDerWaalsContact O-N 3.15Å
328N65.2Low60.8Low80 Ų80106.6 Ų106.643%0.42853%0.53SS..Hα-helix0-22.90-75.4-27000110.7I324 V325 V332I324-N328 WeakPolarHBondContact CG2-ND2 3.01Å; I324-N328 VanDerWaalsContact O-CB 3.31Å; I324-N328 WeakPolarHBondContact O-CB 3.46Å; I324-N328 PolarHBondContact O-N 3.41Å; I324-N328 PolarHBondContact O-ND2 3.48Å; V325-N328 PolarHBondContact O-N 3.24Å; N328-V332 WeakPolarHBondContact O-CB 3.25Å; N328-V332 WeakPolarHBondContact O-CG2 3.47Å; N328-V332 PolarHBondContact O-N 3.03Å
329L68.3Low60Low98 Ų98105 Ų10551%0.51353%0.525SS..Hα-helixtrans-82.80-180-153.978.2000110V325 Q326 E331 V332 K333V325-L329 VanDerWaalsContact O-CB 3.23Å; V325-L329 WeakPolarHBondContact O-CB 3.39Å; V325-L329 PolarHBondContact O-N 2.82Å; Q326-L329 PolarHBondContact O-N 2.73Å; L329-E331 VanDerWaalsContact C-N 3.29Å; L329-V332 PolarHBondContact O-N 3.37Å; L329-K333 WeakPolarHBondContact O-CB 3.37Å; L329-K333 WeakPolarHBondContact O-CG 3.1Å; L329-K333 PolarHBondContact O-N 2.87Å
330S60.2Low58.9Low71 Ų71110.3 Ų110.350%0.49754%0.541SS..Hα-helix0-25.3063.80000111.6Q326 K327 S334Q326-S330 WeakPolarHBondContact O-CB 3.25Å; Q326-S330 PolarHBondContact O-N 2.75Å; Q326-S330 PolarHBondContact O-OG 2.81Å; K327-S330 PolarHBondContact O-OG 3.42Å; S330-S334 WeakPolarHBondContact O-CB 3.22Å; S330-S334 PolarHBondContact O-N 3.09Å; S330-S334 PolarHBondContact O-OG 2.78Å; S330-S334 VanDerWaalsContact O-OG 3.14Å
331E58.8Low57.6Low102 Ų102116.2 Ų116.248%0.47756%0.558SS.*Hα-helixtrans-81.2-27.6178-115.6-177.9177.300110.6K327 L329 S334 I335K327-E331 WeakPolarHBondContact O-CB 2.98Å; K327-E331 PolarHBondContact O-N 2.45Å; K327-E331 VanDerWaalsContact O-N 3.15Å; L329-E331 VanDerWaalsContact C-N 3.29Å; E331-S334 WeakPolarHBondContact CA-OG 2.99Å; E331-S334 PolarHBondContact O-OG 2.88Å; E331-I335 VanDerWaalsContact O-CB 3.31Å; E331-I335 WeakPolarHBondContact O-CB 3.3Å; E331-I335 WeakPolarHBondContact O-CD1 3.1Å; E331-I335 WeakPolarHBondContact O-CG1 3.28Å; E331-I335 PolarHBondContact O-N 3.23Å
332V57.3Low56.4Low71 Ų71115.1 Ų115.143%0.4356%0.559SS.*Hα-helixtrans-82.30-179.7174.20000109N328 L329 I335 K336N328-V332 WeakPolarHBondContact O-CB 3.25Å; N328-V332 WeakPolarHBondContact O-CG2 3.47Å; N328-V332 PolarHBondContact O-N 3.03Å; L329-V332 PolarHBondContact O-N 3.37Å; V332-I335 PolarHBondContact O-N 3.36Å; V332-K336 WeakPolarHBondContact O-CB 3.24Å; V332-K336 PolarHBondContact O-N 3.47Å
333K54.1Low55.1Low140 Ų140113.5 Ų113.561%0.60956%0.562SS**Hα-helix0-26.60-86.4-176.9-176.9179.70110.9L329 I335 L337L329-K333 WeakPolarHBondContact O-CB 3.37Å; L329-K333 WeakPolarHBondContact O-CG 3.1Å; L329-K333 PolarHBondContact O-N 2.87Å; K333-I335 VanDerWaalsContact C-N 3.32Å; K333-L337 WeakPolarHBondContact O-CB 2.81Å; K333-L337 WeakPolarHBondContact O-CD1 3.36Å; K333-L337 PolarHBondContact O-N 3.31Å
334S52.8Low53.8Low51 Ų51115.3 Ų115.336%0.35756%0.564SS.*Hα-helixtrans-80.80176.562.30000111S330 E331 K338S330-S334 WeakPolarHBondContact O-CB 3.22Å; S330-S334 PolarHBondContact O-N 3.09Å; S330-S334 PolarHBondContact O-OG 2.78Å; S330-S334 VanDerWaalsContact O-OG 3.14Å; E331-S334 WeakPolarHBondContact CA-OG 2.99Å; E331-S334 PolarHBondContact O-OG 2.88Å; S334-K338 WeakPolarHBondContact O-CB 3.44Å; S334-K338 WeakPolarHBondContact O-CG 2.8Å; S334-K338 PolarHBondContact O-N 3.06Å
335I53.1Low52.2Low92 Ų92121.4 Ų121.447%0.47258%0.582SS.*Hα-helix0-25.90-66.7171.6000108.8E331 V332 K333 Q339E331-I335 VanDerWaalsContact O-CB 3.31Å; E331-I335 WeakPolarHBondContact O-CB 3.3Å; E331-I335 WeakPolarHBondContact O-CD1 3.1Å; E331-I335 WeakPolarHBondContact O-CG1 3.28Å; E331-I335 PolarHBondContact O-N 3.23Å; V332-I335 PolarHBondContact O-N 3.36Å; K333-I335 VanDerWaalsContact C-N 3.32Å; I335-Q339 WeakPolarHBondContact O-CB 3.37Å; I335-Q339 PolarHBondContact O-N 2.75Å
336K46.8Very low50.9Low137 Ų137126.2 Ų126.260%0.59660%0.596SS**Hα-helixtrans-87.20-180-91-173.8-177.2-179.30110.4V332 R340V332-K336 WeakPolarHBondContact O-CB 3.24Å; V332-K336 PolarHBondContact O-N 3.47Å; K336-R340 WeakPolarHBondContact O-CB 3.34Å; K336-R340 WeakPolarHBondContact O-CG 3.44Å; K336-R340 PolarHBondContact O-N 2.7Å; K336-R340 VanDerWaalsContact O-N 3.09Å
337L47.2Very low50Low105 Ų105126.1 Ų126.155%0.5560%0.6SS.*Hα-helix0-20.80-112.3123.8000110.9K333 R341K333-L337 WeakPolarHBondContact O-CB 2.81Å; K333-L337 WeakPolarHBondContact O-CD1 3.36Å; K333-L337 PolarHBondContact O-N 3.31Å; L337-R341 WeakPolarHBondContact O-CB 3.21Å; L337-R341 PolarHBondContact O-N 2.65Å
338K44Very low49.3Very low160 Ų160126.9 Ų126.970%0.69660%0.6SS**Hα-helixtrans-87.8-18.9175.3-88.6-175.7-177.4-179.10110.5S334 S342S334-K338 WeakPolarHBondContact O-CB 3.44Å; S334-K338 WeakPolarHBondContact O-CG 2.8Å; S334-K338 PolarHBondContact O-N 3.06Å; K338-S342 WeakPolarHBondContact O-CB 3.25Å; K338-S342 PolarHBondContact O-N 3.28Å
339Q42.3Very low49.7Very low125 Ų125123.3 Ų123.358%0.58458%0.583SS**Hα-helixtrans-89.80178-124.4169.42.100110.3I335I335-Q339 WeakPolarHBondContact O-CB 3.37Å; I335-Q339 PolarHBondContact O-N 2.75Å
340R37.6Very low50.5Low215 Ų215119.5 Ų119.581%0.81156%0.561SS**Hα-helix000-90.6-171.6-179.2174.50.9110.4K336K336-R340 WeakPolarHBondContact O-CB 3.34Å; K336-R340 WeakPolarHBondContact O-CG 3.44Å; K336-R340 PolarHBondContact O-N 2.7Å; K336-R340 VanDerWaalsContact O-N 3.09Å
341R38Very low51.7Low208 Ų208116.1 Ų116.179%0.78554%0.538SS*.Hα-helix0-1.20-86.4-173.4-177.9165.90.2110.7L337L337-R341 WeakPolarHBondContact O-CB 3.21Å; L337-R341 PolarHBondContact O-N 2.65Å
342S37.6Very low53Low86 Ų86111.4 Ų111.460%0.60152%0.516SS*.SBendtrans-108.62.9-179.7125.60000109.7K338 K344K338-S342 WeakPolarHBondContact O-CB 3.25Å; K338-S342 PolarHBondContact O-N 3.28Å; S342-K344 VanDerWaalsContact C-N 3.32Å; S342-K344 PolarHBondContact O-N 2.73Å
343S39.5Very low54.2Low92 Ų92109.5 Ų109.564%0.64351%0.506SS*.THydrogen-bonded Turntrans-104.20-177.1138.70000109.8
344K38.8Very low55.3Low145 Ų145109.6 Ų109.663%0.6350%0.502SS*.THydrogen-bonded Turn000-90.6-173.4-176.41780109.6S342 E948S342-K344 VanDerWaalsContact C-N 3.32Å; S342-K344 PolarHBondContact O-N 2.73Å; K344-E948 WeakPolarHBondContact CE-OE1 2.75Å; K344-E948 VanDerWaalsContact NZ-CD 3.28Å; K344-E948 IonicContact NZ-OE1 3.35Å; K344-E948 PolarHBondContact NZ-OE1 2.78Å; K344-E948 IonicContact NZ-OE2 2.8Å; K344-E948 PolarHBondContact NZ-OE2 3.38Å; K344-E948 VanDerWaalsContact NZ-OE2 3.16Å
345R38.4Very low56.4Low215 Ų215112.6 Ų112.681%0.81151%0.514SS*.  055.70-92.8-168.6-180169.7-0.7109.3D347R345-D347 PolarHBondContact O-N 3.31Å
346K45.5Very low57.5Low182 Ų182108.3 Ų108.379%0.79149%0.492SS*.  trans-24.80158.4-79.7-177.2-177177.70111.6Y348K346-Y348 VanDerWaalsContact C-N 3.27Å
347D50.6Low58.8Low131 Ų131104.9 Ų104.970%0.70148%0.478SS*.  000-79.7-20.3000110R345 G349R345-D347 PolarHBondContact O-N 3.31Å; D347-G349 VanDerWaalsContact C-N 3.31Å; D347-G349 PolarHBondContact O-N 2.77Å
348Y58.7Low59.7Low158 Ų158101.2 Ų101.262%0.6246%0.461SS*.  000-71.1-78.5000110.4K346K346-Y348 VanDerWaalsContact C-N 3.27Å
349G74.1Confident60.9Low6 Ų695 Ų956%0.06244%0.435CS..  0159.9000000112.8A263 C276 G277 D347A263-G349 WeakPolarHBondContact CB-O 3.23Å; C276-G349 CarbonylContact O-C 2.76Å; C276-G349 WeakPolarHBondContact O-CA 3.48Å; G277-G349 VanDerWaalsContact CA-CA 3.45Å; D347-G349 VanDerWaalsContact C-N 3.31Å; D347-G349 PolarHBondContact O-N 2.77Å
350Y85.2Confident62.1Low17 Ų1792.1 Ų92.17%0.06743%0.428CS..EExtended strand (participates in β ladder)trans-121.8160.317648.4-91.4000110.4M172 F226 I260 T261 F275 C276 I352 H365M172-Y350 HydrophobicContact SD-CE2 4.04Å; F226-Y350 HydrophobicContact CE1-CD1 4.27Å; F226-Y350 HydrophobicContact CE1-CE1 4.36Å; F226-Y350 HydrophobicContact CZ-CD1 4.32Å; F226-Y350 HydrophobicContact CZ-CE1 4.11Å; I260-Y350 HydrophobicContact CB-CD2 4.34Å; I260-Y350 HydrophobicContact CG2-CD2 3.9Å; I260-Y350 HydrophobicContact CG2-CE2 4.44Å; T261-Y350 CarbonylContact O-C 2.95Å; T261-Y350 WeakPolarHBondContact O-CA 2.84Å; F275-Y350 CarbonylContact C-O 3.47Å; C276-Y350 VanDerWaalsContact CA-O 3.3Å; C276-Y350 WeakPolarHBondContact CA-O 3.24Å; C276-Y350 HydrophobicContact CB-CD1 4.4Å; C276-Y350 HydrophobicContact CB-CD2 3.42Å; C276-Y350 VanDerWaalsContact CB-CD2 3.42Å; C276-Y350 HydrophobicContact CB-CE1 4.14Å; C276-Y350 HydrophobicContact CB-CE2 3.08Å; C276-Y350 HydrophobicContact CB-CG 4.08Å; C276-Y350 VanDerWaalsContact CB-CZ 3.48Å; C276-Y350 WeakPolarHBondContact CB-O 3.22Å; C276-Y350 PolarHBondContact N-O 3.13Å; C276-Y350 PolarHBondContact O-N 2.33Å; C276-Y350 VanDerWaalsContact O-O 3.12Å; Y350-I352 HydrophobicContact CD2-CD1 3.9Å; Y350-I352 HydrophobicContact CD2-CG1 3.77Å; Y350-I352 HydrophobicContact CE2-CD1 3.47Å; Y350-I352 VanDerWaalsContact CE2-CD1 3.47Å; Y350-I352 HydrophobicContact CE2-CG1 3.92Å; Y350-H365 AromaticContact CE1-ND1 3.65Å; Y350-H365 AromaticContact CZ-ND1 3.64Å; Y350-H365 PolarHBondContact OH-N 3.24Å; Y350-H365 PolarHBondContact OH-ND1 3.29Å
351C86.3Confident63.7Low1 Ų183 Ų831%0.00740%0.396CS..EExtended strand (participates in β ladder)trans-109136-176.4-62.80000109.8I260 T261 C269 E273 F274I260-C351 WeakPolarHBondContact CA-O 2.94Å; T261-C351 PolarHBondContact N-O 3.04Å; T261-C351 PolarHBondContact O-N 3.19Å; T261-C351 WeakPolarHBondContact OG1-CB 2.76Å; T261-C351 PolarHBondContact OG1-O 2.81Å; C269-C351 WeakPolarHBondContact CA-SG 3.45Å; C269-C351 HydrophobicContact CB-CB 3.69Å; C269-C351 WeakPolarHBondContact CB-SG 3.25Å; C269-C351 WeakPolarHBondContact SG-CB 3.44Å; C269-C351 CovalentContact SG-SG 1.89Å; C269-C351 PolarHBondContact SG-SG 2.12Å; E273-C351 HydrophobicContact CB-CB 3.96Å; E273-C351 WeakPolarHBondContact OE2-CB 3.08Å; F274-C351 CarbonylContact O-C 3.48Å; F274-C351 VanDerWaalsContact O-CA 3.25Å; F274-C351 WeakPolarHBondContact O-CA 3.35Å
352I84.9Confident65.7Low2 Ų275.5 Ų75.51%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-120.1155.2176.9-58.9169.3000109.3T258 I260 E273 F274 C276 Y350 R354 L356 H363T258-I352 HydrophobicContact CG2-CD1 4.37Å; T258-I352 HydrophobicContact CG2-CG1 4.28Å; T258-I352 HydrophobicContact CG2-CG2 3.62Å; I260-I352 HydrophobicContact CG2-CG1 4.1Å; E273-I352 CarbonylContact C-O 3.21Å; E273-I352 WeakPolarHBondContact CA-O 3.32Å; E273-I352 VanDerWaalsContact CB-O 3.22Å; E273-I352 WeakPolarHBondContact CB-O 3.21Å; F274-I352 PolarHBondContact N-O 3.23Å; F274-I352 PolarHBondContact O-N 3.35Å; C276-I352 HydrophobicContact CB-CD1 4.13Å; C276-I352 WeakPolarHBondContact SG-CD1 2.75Å; Y350-I352 HydrophobicContact CD2-CD1 3.9Å; Y350-I352 HydrophobicContact CD2-CG1 3.77Å; Y350-I352 HydrophobicContact CE2-CD1 3.47Å; Y350-I352 VanDerWaalsContact CE2-CD1 3.47Å; Y350-I352 HydrophobicContact CE2-CG1 3.92Å; I352-R354 PolarHBondContact O-N 2.81Å; I352-L356 HydrophobicContact CG2-CB 4.02Å; I352-L356 HydrophobicContact CG2-CD1 3.22Å; I352-L356 HydrophobicContact CG2-CG 4.16Å; I352-H363 HydrophobicContact CD1-CB 3.82Å
353S82.5Confident67.7Low31 Ų3171.4 Ų71.422%0.21734%0.344CS..EExtended strand (participates in β ladder)trans-63.7134.6-179.4177.90000111.3L355 L356S353-L355 PolarHBondContact O-N 2.91Å; S353-L355 WeakPolarHBondContact OG-CB 3.11Å; S353-L355 PolarHBondContact OG-N 2.45Å; S353-L356 WeakPolarHBondContact O-CB 3.07Å; S353-L356 PolarHBondContact O-N 2.7Å
354R77.4Confident69.6Low142 Ų14267 Ų6754%0.53631%0.314SS..G310 helixtrans-60.2-20.4179.2-87.7-172.8178.5-178.8-0.3110.4N272 F274 I352 L356 Q357N272-R354 VanDerWaalsContact C-CG 3.48Å; N272-R354 VanDerWaalsContact O-CB 3.23Å; N272-R354 WeakPolarHBondContact O-CB 2.96Å; N272-R354 WeakPolarHBondContact O-CG 3.35Å; N272-R354 PolarHBondContact O-N 2.84Å; F274-R354 HydrophobicContact CB-CG 4.4Å; I352-R354 PolarHBondContact O-N 2.81Å; R354-L356 PolarHBondContact O-N 2.78Å; R354-Q357 WeakPolarHBondContact O-CB 3.45Å; R354-Q357 PolarHBondContact O-N 2.76Å
355L76.8Confident71.3Confident114 Ų11464 Ų6460%0.59730%0.302SS*.G310 helixtrans-62.4-17.7178.8-69.3169.7000111S353 Q357S353-L355 PolarHBondContact O-N 2.91Å; S353-L355 WeakPolarHBondContact OG-CB 3.11Å; S353-L355 PolarHBondContact OG-N 2.45Å; L355-Q357 VanDerWaalsContact C-N 3.29Å
356L76Confident72.9Confident2 Ų255.6 Ų55.61%0.0127%0.273CS..G310 helixtrans-97.22.6-176.9-67.3174.6000110.8I19 T44 T258 I352 S353 R354 C358 D359I19-L356 HydrophobicContact CG1-CD2 3.89Å; T44-L356 VanDerWaalsContact O-CD1 3.24Å; T44-L356 WeakPolarHBondContact O-CD1 3.28Å; T258-L356 HydrophobicContact CG2-CD1 3.47Å; T258-L356 VanDerWaalsContact CG2-CD1 3.47Å; I352-L356 HydrophobicContact CG2-CB 4.02Å; I352-L356 HydrophobicContact CG2-CD1 3.22Å; I352-L356 HydrophobicContact CG2-CG 4.16Å; S353-L356 WeakPolarHBondContact O-CB 3.07Å; S353-L356 PolarHBondContact O-N 2.7Å; R354-L356 PolarHBondContact O-N 2.78Å; L356-C358 PolarHBondContact O-N 3.4Å; L356-D359 VanDerWaalsContact O-OD1 3.12Å
357Q73.2Confident74.1Confident66 Ų6648 Ų4831%0.30824%0.244SC..THydrogen-bonded Turntrans-73.4126.8177.9-169.2173.3700111.2R354 L355 D359 D369R354-Q357 WeakPolarHBondContact O-CB 3.45Å; R354-Q357 PolarHBondContact O-N 2.76Å; L355-Q357 VanDerWaalsContact C-N 3.29Å; Q357-D359 VanDerWaalsContact C-N 3.25Å; Q357-D359 PolarHBondContact O-N 2.71Å; Q357-D369 VanDerWaalsContact CG-O 3.31Å; Q357-D369 WeakPolarHBondContact CG-O 3.47Å
358C66Low75Confident28 Ų2843.7 Ų43.719%0.18922%0.218CC..THydrogen-bonded Turntrans68.933.2173.3-65.50000110.2L356 D369 E370 P372 C404L356-C358 PolarHBondContact O-N 3.4Å; C358-D369 PolarHBondContact N-O 2.5Å; C358-E370 WeakPolarHBondContact CA-OE2 2.93Å; C358-P372 VanDerWaalsContact SG-CG 3.58Å; C358-C404 HydrophobicContact CB-CB 3.34Å; C358-C404 WeakPolarHBondContact CB-SG 3.44Å; C358-C404 VanDerWaalsContact SG-CA 3.59Å; C358-C404 WeakPolarHBondContact SG-CB 2.91Å; C358-C404 CovalentContact SG-SG 1.93Å; C358-C404 PolarHBondContact SG-SG 3.41Å
359D69.4Low75.8Confident30 Ų3036.3 Ų36.316%0.1619%0.189CC..SBendtrans-94.30177.861.5-6.6000110.5I19 L356 Q357 I361 H363 E370I19-D359 HydrophobicContact CD1-CB 2.83Å; I19-D359 WeakPolarHBondContact CD1-OD2 2.6Å; I19-D359 HydrophobicContact CG1-CB 4.18Å; I19-D359 VanDerWaalsContact CG1-OD2 3.23Å; I19-D359 WeakPolarHBondContact CG1-OD2 3.26Å; L356-D359 VanDerWaalsContact O-OD1 3.12Å; Q357-D359 VanDerWaalsContact C-N 3.25Å; Q357-D359 PolarHBondContact O-N 2.71Å; D359-I361 PolarHBondContact O-N 1.78Å; D359-I361 VanDerWaalsContact O-N 3.15Å; D359-I361 PolarHBondContact OD1-N 2.69Å; D359-H363 IonicContact OD1-CD2 3.45Å; D359-H363 IonicContact OD1-NE2 1.25Å; D359-H363 IonicContact OD2-CD2 2.62Å; D359-H363 PolarHBondContact OD2-CD2 3.12Å; D359-H363 IonicContact OD2-CE1 3.03Å; D359-H363 IonicContact OD2-NE2 1.56Å; D359-H363 PolarHBondContact OD2-NE2 2.73Å; D359-E370 PolarHBondContact N-OE1 2.8Å
360S67.7Low75.6Confident63 Ų6336.4 Ų36.444%0.44119%0.188SC..SBend0-1.10-58.70000111E370 V406S360-E370 PolarHBondContact N-OE1 3.1Å; S360-E370 PolarHBondContact N-OE2 2.91Å; S360-V406 WeakPolarHBondContact OG-CG1 3.41Å
361I72.1Confident74.6Confident24 Ų2436.4 Ų36.412%0.12319%0.189CC..SBendtrans-113.3125.1174.1-62.5172.8000108.5I19 V47 I256 D359 H363 D369 E370I19-I361 HydrophobicContact CD1-CD1 3.95Å; I19-I361 HydrophobicContact CG2-CD1 3.5Å; I19-I361 VanDerWaalsContact CG2-CD1 3.5Å; V47-I361 HydrophobicContact CG2-CD1 3.15Å; V47-I361 HydrophobicContact CG2-CG1 4.27Å; V47-I361 HydrophobicContact CG2-CG2 4.41Å; I256-I361 HydrophobicContact CD1-CG2 3.89Å; I256-I361 HydrophobicContact CG1-CG2 4.36Å; I256-I361 HydrophobicContact CG2-CG2 3.98Å; D359-I361 PolarHBondContact O-N 1.78Å; D359-I361 VanDerWaalsContact O-N 3.15Å; D359-I361 PolarHBondContact OD1-N 2.69Å; I361-H363 PolarHBondContact O-CD2 3.48Å; I361-H363 VanDerWaalsContact O-CD2 3.23Å; I361-H363 PolarHBondContact O-N 3.38Å; I361-D369 VanDerWaalsContact O-OD2 3.04Å; I361-E370 VanDerWaalsContact C-OE1 3.22Å; I361-E370 PolarHBondContact N-OE1 2.86Å
362V78.3Confident73Confident50 Ų5038.1 Ų38.130%0.30320%0.2SC..  trans-82.6108.5-179179.10000108.8C364 A367 D369 E370V362-C364 WeakPolarHBondContact CG1-O 3.34Å; V362-A367 VanDerWaalsContact CG1-CA 3.42Å; V362-A367 HydrophobicContact CG1-CB 3.62Å; V362-D369 WeakPolarHBondContact CA-OD2 3.06Å; V362-E370 HydrophobicContact CB-CG 4.18Å; V362-E370 HydrophobicContact CG2-CB 4.15Å; V362-E370 HydrophobicContact CG2-CG 3.49Å; V362-E370 VanDerWaalsContact CG2-CG 3.49Å
363H81Confident71.2Confident1 Ų141.4 Ų41.41%0.00522%0.224CC..  trans-92.5-32.9-178.1-65.5-81.8000109.5M172 T258 I352 D359 I361 D369M172-H363 WeakPolarHBondContact CE-O 3.12Å; T258-H363 HydrophobicContact CG2-CB 4.38Å; T258-H363 PolarHBondContact OG1-ND1 3.47Å; I352-H363 HydrophobicContact CD1-CB 3.82Å; D359-H363 IonicContact OD1-CD2 3.45Å; D359-H363 IonicContact OD1-NE2 1.25Å; D359-H363 IonicContact OD2-CD2 2.62Å; D359-H363 PolarHBondContact OD2-CD2 3.12Å; D359-H363 IonicContact OD2-CE1 3.03Å; D359-H363 IonicContact OD2-NE2 1.56Å; D359-H363 PolarHBondContact OD2-NE2 2.73Å; I361-H363 PolarHBondContact O-CD2 3.48Å; I361-H363 VanDerWaalsContact O-CD2 3.23Å; I361-H363 PolarHBondContact O-N 3.38Å; H363-D369 WeakPolarHBondContact CA-OD2 3.41Å; H363-D369 WeakPolarHBondContact CB-OD2 3.46Å; H363-D369 IonicContact CD2-OD2 3.33Å; H363-D369 PolarHBondContact CD2-OD2 2.98Å; H363-D369 IonicContact CG-OD2 3.47Å; H363-D369 VanDerWaalsContact N-CG 3.3Å; H363-D369 PolarHBondContact N-OD1 3.37Å; H363-D369 PolarHBondContact N-OD2 3.11Å
364C79.6Confident69.4Low0 Ų041.6 Ų41.60%022%0.222CC..SBendtrans-82.8136.5-178.5-70.40000109.8F274 C276 V362 N366 A367 R368 D369F274-C364 VanDerWaalsContact CD1-SG 3.56Å; F274-C364 HydrophobicContact CE1-CB 4.16Å; F274-C364 WeakPolarHBondContact CE1-SG 3.48Å; C276-C364 HydrophobicContact CB-CB 3.91Å; C276-C364 WeakPolarHBondContact CB-SG 3.15Å; C276-C364 WeakPolarHBondContact SG-CB 3.45Å; C276-C364 CovalentContact SG-SG 1.78Å; C276-C364 PolarHBondContact SG-SG 3.05Å; V362-C364 WeakPolarHBondContact CG1-O 3.34Å; C364-N366 WeakPolarHBondContact CB-OD1 3.45Å; C364-N366 PolarHBondContact O-N 2.87Å; C364-N366 VanDerWaalsContact O-N 3.09Å; C364-A367 PolarHBondContact O-N 2.88Å; C364-R368 HydrophobicContact CB-CB 4.36Å; C364-D369 WeakPolarHBondContact CB-OD1 3.1Å; C364-D369 PolarHBondContact N-OD1 2.87Å
365H72.9Confident67.7Low82 Ų8246 Ų4638%0.3824%0.239SC..THydrogen-bonded Turntrans-57.4-27.3178.663.2-78.6000111.2G277 Y350G277-H365 VanDerWaalsContact CA-CE1 3.45Å; G277-H365 WeakPolarHBondContact CA-CE1 3.49Å; Y350-H365 AromaticContact CE1-ND1 3.65Å; Y350-H365 AromaticContact CZ-ND1 3.64Å; Y350-H365 PolarHBondContact OH-N 3.24Å; Y350-H365 PolarHBondContact OH-ND1 3.29Å
366N72.3Confident65.8Low38 Ų3846.2 Ų46.220%0.20324%0.238CC..THydrogen-bonded Turntrans-98.111.7178.954.8-1.4000111.3G277 C364 R368G277-N366 PolarHBondContact O-ND2 3.13Å; C364-N366 WeakPolarHBondContact CB-OD1 3.45Å; C364-N366 PolarHBondContact O-N 2.87Å; C364-N366 VanDerWaalsContact O-N 3.09Å; N366-R368 HydrophobicContact CB-CG 4.34Å; N366-R368 WeakPolarHBondContact ND2-CD 3.34Å; N366-R368 WeakPolarHBondContact ND2-CG 3.38Å; N366-R368 PolarHBondContact ND2-NE 3.21Å; N366-R368 VanDerWaalsContact ND2-NE 3.12Å; N366-R368 PolarHBondContact O-N 3.26Å; N366-R368 WeakPolarHBondContact OD1-CG 2.84Å; N366-R368 PolarHBondContact OD1-N 3.39Å
367A71Confident64.1Low23 Ų2349 Ų4919%0.1925%0.253CS..  trans59.319.2175.600000111.8V362 C364 D369 E370 L371V362-A367 VanDerWaalsContact CG1-CA 3.42Å; V362-A367 HydrophobicContact CG1-CB 3.62Å; C364-A367 PolarHBondContact O-N 2.88Å; A367-D369 WeakPolarHBondContact CA-OD1 2.8Å; A367-D369 PolarHBondContact O-N 3.13Å; A367-D369 VanDerWaalsContact O-N 3.12Å; A367-E370 PolarHBondContact O-N 3.35Å; A367-L371 HydrophobicContact CB-CD1 4.12Å; A367-L371 PolarHBondContact O-N 1.25Å
368R70.1Confident62.6Low40 Ų4048.5 Ų48.515%0.15126%0.255CS..THydrogen-bonded Turntrans-60.5-25.5179.4-83.3-167.6175.8177-0.4111.1F274 G277 C364 N366 E370F274-R368 HydrophobicContact CE1-CB 3.49Å; F274-R368 VanDerWaalsContact CE1-CB 3.49Å; F274-R368 HydrophobicContact CE2-CB 3.47Å; F274-R368 VanDerWaalsContact CE2-CB 3.47Å; F274-R368 HydrophobicContact CE2-CG 4.37Å; F274-R368 VanDerWaalsContact CZ-C 3.44Å; F274-R368 HydrophobicContact CZ-CB 2.59Å; F274-R368 HydrophobicContact CZ-CG 3.73Å; G277-R368 PolarHBondContact O-NH1 3.49Å; C364-R368 HydrophobicContact CB-CB 4.36Å; N366-R368 HydrophobicContact CB-CG 4.34Å; N366-R368 WeakPolarHBondContact ND2-CD 3.34Å; N366-R368 WeakPolarHBondContact ND2-CG 3.38Å; N366-R368 PolarHBondContact ND2-NE 3.21Å; N366-R368 VanDerWaalsContact ND2-NE 3.12Å; N366-R368 PolarHBondContact O-N 3.26Å; N366-R368 WeakPolarHBondContact OD1-CG 2.84Å; N366-R368 PolarHBondContact OD1-N 3.39Å; R368-E370 PolarHBondContact O-N 3.45Å
369D74.4Confident61.7Low3 Ų351.8 Ų51.82%0.01628%0.278CS..THydrogen-bonded Turntrans-74.5-18.9-178.956.6-37.1000111.1F274 Q357 C358 I361 V362 H363 C364 A367F274-D369 HydrophobicContact CD1-CB 4.35Å; F274-D369 HydrophobicContact CE1-CB 4.11Å; Q357-D369 VanDerWaalsContact CG-O 3.31Å; Q357-D369 WeakPolarHBondContact CG-O 3.47Å; C358-D369 PolarHBondContact N-O 2.5Å; I361-D369 VanDerWaalsContact O-OD2 3.04Å; V362-D369 WeakPolarHBondContact CA-OD2 3.06Å; H363-D369 WeakPolarHBondContact CA-OD2 3.41Å; H363-D369 WeakPolarHBondContact CB-OD2 3.46Å; H363-D369 IonicContact CD2-OD2 3.33Å; H363-D369 PolarHBondContact CD2-OD2 2.98Å; H363-D369 IonicContact CG-OD2 3.47Å; H363-D369 VanDerWaalsContact N-CG 3.3Å; H363-D369 PolarHBondContact N-OD1 3.37Å; H363-D369 PolarHBondContact N-OD2 3.11Å; C364-D369 WeakPolarHBondContact CB-OD1 3.1Å; C364-D369 PolarHBondContact N-OD1 2.87Å; A367-D369 WeakPolarHBondContact CA-OD1 2.8Å; A367-D369 PolarHBondContact O-N 3.13Å; A367-D369 VanDerWaalsContact O-N 3.12Å
370E69.8Low60.6Low7 Ų755.3 Ų55.33%0.03330%0.297CS..THydrogen-bonded Turntrans-108.5-9.2-178.7-67.4-66.3155.500110.5C358 D359 S360 I361 V362 A367 R368 P372 C404C358-E370 WeakPolarHBondContact CA-OE2 2.93Å; D359-E370 PolarHBondContact N-OE1 2.8Å; S360-E370 PolarHBondContact N-OE1 3.1Å; S360-E370 PolarHBondContact N-OE2 2.91Å; I361-E370 VanDerWaalsContact C-OE1 3.22Å; I361-E370 PolarHBondContact N-OE1 2.86Å; V362-E370 HydrophobicContact CB-CG 4.18Å; V362-E370 HydrophobicContact CG2-CB 4.15Å; V362-E370 HydrophobicContact CG2-CG 3.49Å; V362-E370 VanDerWaalsContact CG2-CG 3.49Å; A367-E370 PolarHBondContact O-N 3.35Å; R368-E370 PolarHBondContact O-N 3.45Å; E370-P372 WeakPolarHBondContact O-CD 2.5Å; E370-C404 PolarHBondContact O-SG 3.24Å
371L64.9Low59.6Low17 Ų1753.5 Ų53.59%0.08928%0.282CS..  trans-123.672.8179.6-70.6155000109.1A367 S373 L374 V402A367-L371 HydrophobicContact CB-CD1 4.12Å; A367-L371 PolarHBondContact O-N 1.25Å; L371-S373 PolarHBondContact O-N 3.22Å; L371-L374 HydrophobicContact CB-CB 4.11Å; L371-L374 HydrophobicContact CB-CD1 3.08Å; L371-L374 HydrophobicContact CB-CG 3.79Å; L371-L374 HydrophobicContact CD1-CD1 2.68Å; L371-L374 HydrophobicContact CD1-CG 4.02Å; L371-L374 HydrophobicContact CD2-CD1 4.18Å; L371-L374 HydrophobicContact CG-CD1 3.43Å; L371-L374 VanDerWaalsContact CG-CD1 3.43Å; L371-L374 HydrophobicContact CG-CG 4.44Å; L371-L374 PolarHBondContact O-N 3.22Å; L371-V402 HydrophobicContact CB-CG1 4.17Å; L371-V402 HydrophobicContact CD2-CB 3.78Å; L371-V402 HydrophobicContact CD2-CG1 2.8Å; L371-V402 HydrophobicContact CD2-CG2 4.03Å; L371-V402 HydrophobicContact CG-CG1 3.99Å
372P53.6Low58.5Low37 Ų3756 Ų5624%0.2430%0.3CS..G310 helixtrans-57.20-179.6-4.47.4000111.8C358 E370 L374 C404C358-P372 VanDerWaalsContact SG-CG 3.58Å; E370-P372 WeakPolarHBondContact O-CD 2.5Å; P372-L374 PolarHBondContact O-N 1.56Å; P372-C404 WeakPolarHBondContact CD-SG 3.42Å; P372-C404 HydrophobicContact CG-CB 4.34Å; P372-C404 WeakPolarHBondContact CG-SG 3Å
373S47.1Very low57Low72 Ų7261.6 Ų61.650%0.50332%0.323SS..G310 helix00052.60000110.4L371 R375 V402L371-S373 PolarHBondContact O-N 3.22Å; S373-R375 VanDerWaalsContact C-N 3.34Å; S373-R375 PolarHBondContact O-N 2.06Å; S373-V402 WeakPolarHBondContact OG-CG1 3.39Å
374L43.7Very low55.6Low35 Ų3569.6 Ų69.618%0.18336%0.36CS..G310 helix023.70-84.1152.6000109.6L371 P372 M376 L381L371-L374 HydrophobicContact CB-CB 4.11Å; L371-L374 HydrophobicContact CB-CD1 3.08Å; L371-L374 HydrophobicContact CB-CG 3.79Å; L371-L374 HydrophobicContact CD1-CD1 2.68Å; L371-L374 HydrophobicContact CD1-CG 4.02Å; L371-L374 HydrophobicContact CD2-CD1 4.18Å; L371-L374 HydrophobicContact CG-CD1 3.43Å; L371-L374 VanDerWaalsContact CG-CD1 3.43Å; L371-L374 HydrophobicContact CG-CG 4.44Å; L371-L374 PolarHBondContact O-N 3.22Å; P372-L374 PolarHBondContact O-N 1.56Å; L374-M376 PolarHBondContact O-N 2.75Å; L374-L381 HydrophobicContact CD2-CD1 3.09Å; L374-L381 HydrophobicContact CD2-CD2 4.06Å; L374-L381 HydrophobicContact CD2-CG 4.17Å
375R41.2Very low54.2Low235 Ų23573.9 Ų73.989%0.88738%0.383SS*.  trans-56.50160.1-80.1-167.7179.1144.80.5111.2S373S373-R375 VanDerWaalsContact C-N 3.34Å; S373-R375 PolarHBondContact O-N 2.06Å
376M38.3Very low53Low117 Ų11773.6 Ų73.658%0.57638%0.383SS*.SBend0110.60-80.4-165.7137.800109.6L374 D380L374-M376 PolarHBondContact O-N 2.75Å; M376-D380 HydrophobicContact CB-CB 4.38Å
377N40.3Very low51.7Low61 Ų6179.6 Ų79.633%0.32641%0.41SS..  trans-220168.4-108-29.1000112S379 D380N377-S379 CarbonylContact O-C 3.58Å; N377-S379 PolarHBondContact O-N 2.92Å; N377-D380 WeakPolarHBondContact O-CB 0.77Å; N377-D380 PolarHBondContact O-N 3.4Å
378P41.9Very low50.5Low55 Ų5581 Ų8136%0.35742%0.421SS..G310 helix0-13.80-2.44.9000111.7D380 L381P378-D380 PolarHBondContact O-N 3.15Å; P378-L381 PolarHBondContact O-N 2.99Å
379S45.6Very low49.3Very low97 Ų9781.5 Ų81.568%0.67843%0.427SS*.G310 helixtrans-87.5-4.4179.8-9.10000111N377N377-S379 CarbonylContact O-C 3.58Å; N377-S379 PolarHBondContact O-N 2.92Å
380D47.7Very low48Very low104 Ų10486.9 Ų86.956%0.55646%0.46SS*.G310 helixtrans-106.40-177.8-73.6-24.3000109.9M376 N377 P378M376-D380 HydrophobicContact CB-CB 4.38Å; N377-D380 WeakPolarHBondContact O-CB 0.77Å; N377-D380 PolarHBondContact O-N 3.4Å; P378-D380 PolarHBondContact O-N 3.15Å
381L46.7Very low46.5Very low25 Ų2589.5 Ų89.513%0.13149%0.489CS..SBend0121.40-101.8108.8000109L374 P378 H383 L385 L386 L389L374-L381 HydrophobicContact CD2-CD1 3.09Å; L374-L381 HydrophobicContact CD2-CD2 4.06Å; L374-L381 HydrophobicContact CD2-CG 4.17Å; P378-L381 PolarHBondContact O-N 2.99Å; L381-H383 PolarHBondContact O-N 2.89Å; L381-L385 HydrophobicContact CD2-CB 4.1Å; L381-L385 HydrophobicContact CD2-CD2 4.11Å; L381-L386 HydrophobicContact CB-CD1 4.2Å; L381-L389 HydrophobicContact CD2-CD1 3.92Å
382P48.9Very low45.1Very low77 Ų7791.1 Ų91.150%0.550%0.504SS..  trans-51.1120.1174.61.31.5000111.8Q384 L385 L386P382-Q384 PolarHBondContact O-N 2.96Å; P382-L385 HydrophobicContact CG-CD1 4.24Å; P382-L385 PolarHBondContact O-N 2.67Å; P382-L386 PolarHBondContact O-N 2.62Å
383H45.8Very low44.4Very low167 Ų16799.6 Ų99.677%0.77353%0.533SS*.Hα-helixtrans-36.2-21-180-93.726.5000111.4L381 L385 H387L381-H383 PolarHBondContact O-N 2.89Å; H383-L385 VanDerWaalsContact C-N 3.35Å; H383-L385 PolarHBondContact O-N 2.51Å; H383-H387 WeakPolarHBondContact O-CB 2.88Å; H383-H387 PolarHBondContact O-N 3.39Å
384Q51.9Low44Very low170 Ų17099.1 Ų99.179%0.79452%0.524SS*.Hα-helixtrans-83.2-25.1-178-73.1175.9-7.200111.1P382 A388P382-Q384 PolarHBondContact O-N 2.96Å; Q384-A388 WeakPolarHBondContact O-CB 0.97Å; Q384-A388 PolarHBondContact O-N 3.25Å
385L49.8Very low43.8Very low90 Ų90100 Ų10047%0.47153%0.531SS..Hα-helixtrans-90.1-25.1-178.2-124.9122.5000110.6L381 P382 H383 A388 L389L381-L385 HydrophobicContact CD2-CB 4.1Å; L381-L385 HydrophobicContact CD2-CD2 4.11Å; P382-L385 HydrophobicContact CG-CD1 4.24Å; P382-L385 PolarHBondContact O-N 2.67Å; H383-L385 VanDerWaalsContact C-N 3.35Å; H383-L385 PolarHBondContact O-N 2.51Å; L385-A388 PolarHBondContact O-N 3.39Å; L385-L389 HydrophobicContact CB-CD1 4.46Å; L385-L389 HydrophobicContact CD2-CD1 3.55Å; L385-L389 HydrophobicContact CD2-CG 4.45Å; L385-L389 HydrophobicContact CG-CD1 4.5Å; L385-L389 WeakPolarHBondContact O-CB 2.29Å; L385-L389 WeakPolarHBondContact O-CD1 3.08Å; L385-L389 WeakPolarHBondContact O-CG 3.49Å; L385-L389 PolarHBondContact O-N 2.91Å
386L47.8Very low43.7Very low75 Ų7590.2 Ų90.239%0.39350%0.498SS..Hα-helixtrans-73.1-34.4174.8-149.894000110.5L381 P382 A388 L389 V390L381-L386 HydrophobicContact CB-CD1 4.2Å; P382-L386 PolarHBondContact O-N 2.62Å; L386-A388 VanDerWaalsContact C-N 3.29Å; L386-L389 PolarHBondContact O-N 2.15Å; L386-V390 HydrophobicContact CG-CG2 4.23Å; L386-V390 WeakPolarHBondContact O-CB 3.32Å; L386-V390 WeakPolarHBondContact O-CG2 3.08Å; L386-V390 PolarHBondContact O-N 2.99Å
387H45.9Very low43.7Very low165 Ų16586.4 Ų86.476%0.76449%0.485SS*.Hα-helixtrans-78-22.9176.5-146.5-97.1000111.4H383H383-H387 WeakPolarHBondContact O-CB 2.88Å; H383-H387 PolarHBondContact O-N 3.39Å
388A45.3Very low43.8Very low51 Ų5187.8 Ų87.842%0.42149%0.493SS..Hα-helixtrans-88.8-16.7177.300000110.7Q384 L385 L386 A392Q384-A388 WeakPolarHBondContact O-CB 0.97Å; Q384-A388 PolarHBondContact O-N 3.25Å; L385-A388 PolarHBondContact O-N 3.39Å; L386-A388 VanDerWaalsContact C-N 3.29Å; A388-A392 WeakPolarHBondContact O-CA 3.4Å; A388-A392 WeakPolarHBondContact O-CB 3.36Å; A388-A392 PolarHBondContact O-N 3.36Å
389L45.5Very low43.7Very low52 Ų5286.6 Ų86.627%0.27248%0.483SS..Hα-helixtrans-104.4-20.8-174.1-84.2159.9000109.8L381 L385 L386 G391 L394L381-L389 HydrophobicContact CD2-CD1 3.92Å; L385-L389 HydrophobicContact CB-CD1 4.46Å; L385-L389 HydrophobicContact CD2-CD1 3.55Å; L385-L389 HydrophobicContact CD2-CG 4.45Å; L385-L389 HydrophobicContact CG-CD1 4.5Å; L385-L389 WeakPolarHBondContact O-CB 2.29Å; L385-L389 WeakPolarHBondContact O-CD1 3.08Å; L385-L389 WeakPolarHBondContact O-CG 3.49Å; L385-L389 PolarHBondContact O-N 2.91Å; L386-L389 PolarHBondContact O-N 2.15Å; L389-G391 PolarHBondContact O-N 3.27Å; L389-L394 HydrophobicContact CD2-CD1 3.75Å; L389-L394 HydrophobicContact CD2-CD2 3.84Å; L389-L394 HydrophobicContact CD2-CG 4.23Å
390V46.8Very low43.3Very low116 Ų11687.6 Ų87.670%0.70348%0.481SS*.Hα-helixtrans-99.60-178.4175.40000108.6L386L386-V390 HydrophobicContact CG-CG2 4.23Å; L386-V390 WeakPolarHBondContact O-CB 3.32Å; L386-V390 WeakPolarHBondContact O-CG2 3.08Å; L386-V390 PolarHBondContact O-N 2.99Å
391G37.3Very low42.8Very low62 Ų6290.1 Ų90.164%0.63950%0.495SS*.Hα-helix00000000110.2L389L389-G391 PolarHBondContact O-N 3.27Å
392A36.8Very low42.5Very low51 Ų5190.4 Ų90.442%0.42150%0.497SS..SBend096.6000000108.9A388 L394A388-A392 WeakPolarHBondContact O-CA 3.4Å; A388-A392 WeakPolarHBondContact O-CB 3.36Å; A388-A392 PolarHBondContact O-N 3.36Å; A392-L394 PolarHBondContact O-N 2.7Å
393Y38Very low41.7Very low214 Ų21489.9 Ų89.984%0.83951%0.506SS*.  trans-4.20153.6-73.2-84000111.4T395Y393-T395 PolarHBondContact O-N 1.89Å; Y393-T395 VanDerWaalsContact O-N 3.16Å
394L38.6Very low41.1Very low62 Ų6282.1 Ų82.133%0.32547%0.47SS..  099.30-70.3164.7000110.1L389 A392 D398L389-L394 HydrophobicContact CD2-CD1 3.75Å; L389-L394 HydrophobicContact CD2-CD2 3.84Å; L389-L394 HydrophobicContact CD2-CG 4.23Å; A392-L394 PolarHBondContact O-N 2.7Å; L394-D398 HydrophobicContact CD2-CB 4Å
395T39.3Very low40.1Very low53 Ų5379.5 Ų79.533%0.32547%0.466SS..  trans-46.40166.455.80000110.6H62 Y393 A397 D398H62-T395 WeakPolarHBondContact CE1-CA 2.84Å; Y393-T395 PolarHBondContact O-N 1.89Å; Y393-T395 VanDerWaalsContact O-N 3.16Å; T395-A397 PolarHBondContact O-N 2.49Å; T395-D398 PolarHBondContact O-N 3Å; T395-D398 PolarHBondContact OG1-OD2 3.25Å
396P39.3Very low39.2Very low30 Ų3078 Ų7820%0.19546%0.461CS..Hα-helix0-160-1319.8000111.8H62 D398 L399 N400H62-P396 HydrophobicContact CB-CG 3.35Å; H62-P396 VanDerWaalsContact CD2-CG 3.41Å; H62-P396 WeakPolarHBondContact CD2-CG 3.45Å; H62-P396 CovalentContact CE1-CD 1.59Å; H62-P396 WeakPolarHBondContact CE1-CD 3.37Å; H62-P396 WeakPolarHBondContact CE1-CG 3.19Å; H62-P396 WeakPolarHBondContact ND1-CB 3.16Å; H62-P396 CovalentContact ND1-CD 1.69Å; H62-P396 WeakPolarHBondContact ND1-CD 3.42Å; H62-P396 CovalentContact ND1-CG 1.67Å; H62-P396 WeakPolarHBondContact ND1-CG 3.24Å; H62-P396 WeakPolarHBondContact NE2-CD 3.09Å; H62-P396 WeakPolarHBondContact NE2-CG 2.98Å; P396-D398 VanDerWaalsContact C-N 3.33Å; P396-D398 PolarHBondContact O-N 2.69Å; P396-L399 PolarHBondContact O-N 2.9Å; P396-N400 PolarHBondContact O-N 2.7Å
397A39.6Very low38.3Very low37 Ų3784.1 Ų84.131%0.30648%0.48SS..Hα-helixtrans-82.2-18.8179.500000110.6T395 L399T395-A397 PolarHBondContact O-N 2.49Å; A397-L399 VanDerWaalsContact C-N 3.27Å; A397-L399 PolarHBondContact O-N 3.35Å
398D41.2Very low37.6Very low90 Ų9083 Ų8348%0.48147%0.473SS..Hα-helixtrans-89.50177.7-76.2-24.3000111L394 T395 P396 V402L394-D398 HydrophobicContact CD2-CB 4Å; T395-D398 PolarHBondContact O-N 3Å; T395-D398 PolarHBondContact OG1-OD2 3.25Å; P396-D398 VanDerWaalsContact C-N 3.33Å; P396-D398 PolarHBondContact O-N 2.69Å; D398-V402 VanDerWaalsContact O-CG2 3.24Å; D398-V402 WeakPolarHBondContact O-CG2 3.25Å
399L40.6Very low36.8Very low30 Ų3088.1 Ų88.116%0.15749%0.492CS..Hα-helix0-10.20-83.6142.2000110.9P396 A397 N401 V402P396-L399 PolarHBondContact O-N 2.9Å; A397-L399 VanDerWaalsContact C-N 3.27Å; A397-L399 PolarHBondContact O-N 3.35Å; L399-N401 PolarHBondContact O-N 3.39Å; L399-V402 PolarHBondContact O-N 3.16Å
400N37.1Very low36.2Very low119 Ų11991.4 Ų91.464%0.63651%0.51SS*.THydrogen-bonded Turntrans-82.50.1177.8-78.9-13.5000110.9P396P396-N400 PolarHBondContact O-N 2.7Å
401N37.2Very low35.4Very low157 Ų15792.9 Ų92.984%0.8451%0.514SS*.THydrogen-bonded Turntrans-1210178-86-10.9000110.3L399L399-N401 PolarHBondContact O-N 3.39Å
402V40Very low35.2Very low30 Ų3097.4 Ų97.418%0.18252%0.523CS..THydrogen-bonded Turn082.70-168.80000108.3L371 S373 D398 L399 C404L371-V402 HydrophobicContact CB-CG1 4.17Å; L371-V402 HydrophobicContact CD2-CB 3.78Å; L371-V402 HydrophobicContact CD2-CG1 2.8Å; L371-V402 HydrophobicContact CD2-CG2 4.03Å; L371-V402 HydrophobicContact CG-CG1 3.99Å; S373-V402 WeakPolarHBondContact OG-CG1 3.39Å; D398-V402 VanDerWaalsContact O-CG2 3.24Å; D398-V402 WeakPolarHBondContact O-CG2 3.25Å; L399-V402 PolarHBondContact O-N 3.16Å; V402-C404 PolarHBondContact O-N 3.29Å
403G32.6Very low34.8Very low66 Ų66100.4 Ų100.468%0.6854%0.539SS*.THydrogen-bonded Turntrans34.9015400000112.1
404C31.8Very low34.4Very low5 Ų597.3 Ų97.33%0.03454%0.536CS..  087.30-76.30000110C358 E370 P372 V402 V406C358-C404 HydrophobicContact CB-CB 3.34Å; C358-C404 WeakPolarHBondContact CB-SG 3.44Å; C358-C404 VanDerWaalsContact SG-CA 3.59Å; C358-C404 WeakPolarHBondContact SG-CB 2.91Å; C358-C404 CovalentContact SG-SG 1.93Å; C358-C404 PolarHBondContact SG-SG 3.41Å; E370-C404 PolarHBondContact O-SG 3.24Å; P372-C404 WeakPolarHBondContact CD-SG 3.42Å; P372-C404 HydrophobicContact CG-CB 4.34Å; P372-C404 WeakPolarHBondContact CG-SG 3Å; V402-C404 PolarHBondContact O-N 3.29Å; C404-V406 VanDerWaalsContact C-N 3.35Å; C404-V406 PolarHBondContact O-N 2.55Å; C404-V406 VanDerWaalsContact O-N 3.1Å
405T31.6Very low34.1Very low114 Ų114100.4 Ų100.470%0.69955%0.552SS**  trans-45.690.8168.9230000111
406V31.7Very low33.8Very low59 Ų59104.5 Ų104.536%0.35857%0.572SS.*  trans-66.20172.7-178.80000109.4S360 C404S360-V406 WeakPolarHBondContact OG-CG1 3.41Å; C404-V406 VanDerWaalsContact C-N 3.35Å; C404-V406 PolarHBondContact O-N 2.55Å; C404-V406 VanDerWaalsContact O-N 3.1Å
407Y28.2Very low33.4Very low204 Ų204109.5 Ų109.580%0.860%0.596SS**  0104.60-67.6-84000109.7
408K30Very low33Very low141 Ų141113.7 Ų113.761%0.61361%0.614SS**  trans-56.8103.4167.6-157.5174.2177.2178.40111.4N410K408-N410 PolarHBondContact O-N 3.37Å
409L29.9Very low32.7Very low158 Ų158116.5 Ų116.583%0.82763%0.629SS**  trans-76.275.4171.5-76.1157.5000110.2N411L409-N411 PolarHBondContact O-N 3.5Å
410N31.7Very low32.2Very low122 Ų122122.8 Ų122.865%0.65266%0.655SS**  trans-55.795.7166.3-99.5-0.8000111.4K408K408-N410 PolarHBondContact O-N 3.37Å
411N30.7Very low31.9Very low146 Ų146125.7 Ų125.778%0.78166%0.658SS**  trans-66.169.2156.7-80.5-12.6000111.3L409L409-N411 PolarHBondContact O-N 3.5Å
412D32.2Very low31.5Very low157 Ų157123.2 Ų123.284%0.8465%0.649SS**  trans-142.4105.4150.5-84.2-20.9000109.1
413P29Very low30.9Very low115 Ų115129 Ų12975%0.74768%0.678SS**  trans-101.8101.6155.133.6-4.8000111.6
414L29.8Very low30.8Very low148 Ų148130.7 Ų130.778%0.77568%0.675SS**  trans150.3106.2138.1-97.3146.1000109.1
415I33.2Very low30.7Very low128 Ų128139.3 Ų139.366%0.65671%0.712SS**  133.8100.8113.8-65175.9000108.2
416N31.4Very low30.7Very low139 Ų139138.4 Ų138.474%0.74371%0.71SS**  137.9104.3112.3-123.6-0.1000109.9
417N31.5Very low30.7Very low134 Ų134141.9 Ų141.972%0.71773%0.726SS**  54.5110.9111.9-98.8-3.2000111.4
418N32Very low30.8Very low126 Ų126140.9 Ų140.967%0.67473%0.726SS**  134.8100.3114.4-82.1-9000109.8
419N33.6Very low30.9Very low149 Ų149139.7 Ų139.780%0.79773%0.732SS**  146.10128.7-85.3-8.9000109.8
420K31.6Very low31.2Very low162 Ų162137.6 Ų137.670%0.70473%0.731SS**  0103.80-115.8-179.5-177177.50110.4
421Y30.4Very low31.3Very low179 Ų179136.1 Ų136.170%0.70273%0.731SS**  146.4106.4119.9-82.3-81.7000109.2
422T29Very low31.5Very low105 Ų105137.2 Ų137.264%0.64473%0.731SS**  83.1106.693.526.60000109.9
423L28Very low31.7Very low153 Ų153137.1 Ų137.180%0.80173%0.728SS**  138.7110107.8-139.4125.7000109.1
424V29.6Very low31.9Very low100 Ų100139.9 Ų139.961%0.60673%0.731SS**  160.797.8107.5177.40000108
425K29.9Very low32.2Very low187 Ų187140.3 Ų140.381%0.81373%0.734SS**  130.796.8109.8-125.7174.2-177.9178.60109.6
426S30.6Very low32.2Very low94 Ų94141.9 Ų141.966%0.65774%0.744SS**  114.997.5105.666.90000109.8
427L31.8Very low32.4Very low133 Ų133146.5 Ų146.570%0.69675%0.751SS**  142.687.6113.9-90.1146.7000109.1
428F31.7Very low32.7Very low183 Ų183145.8 Ų145.880%0.80375%0.752SS**  128.20115.4-81.9-79.8000109.3
429P32.2Very low32.7Very low115 Ų115147.8 Ų147.875%0.74776%0.763SS**  0135033.7-3.3000111.8
430S34.7Very low32.7Very low114 Ų114148.6 Ų148.680%0.79777%0.766SS**  trans-177.50132-141.70000109.4
431S35Very low32.8Very low92 Ų92145.6 Ų145.664%0.64377%0.766SS**  00060.80000110.4
432H33.7Very low33Very low169 Ų169147.4 Ų147.478%0.78277%0.771SS**  01140-105.6-77.5000110
433I37.2Very low33.1Very low154 Ų154150.6 Ų150.679%0.7978%0.776SS**  1480111.6-71.7172.3000108.1
434E33.4Very low33.2Very low173 Ų173152.4 Ų152.481%0.80878%0.778SS**  0118.70-120.5173.3-177.900111.4
435N35.9Very low33.3Very low157 Ų157151.6 Ų151.684%0.8478%0.777SS**  1760128.6-99.4-3.4000109.6
436N32.8Very low33.4Very low162 Ų162149.5 Ų149.587%0.86677%0.773SS**  0114.30-86-7.5000111.8
437R36.2Very low33.7Very low235 Ų235149.4 Ų149.489%0.88777%0.773SS**  trans-178.9107.1141.4-120-178.1179.3167.8-0109.4
438T37.7Very low34.3Very low120 Ų120147 Ų14774%0.73677%0.767SS**  860104.650.90000109.8
439N32.4Very low35.2Very low168 Ų168141.3 Ų141.390%0.89875%0.747SS**  097.10-79.6-26.9000111.6
440L32.5Very low36.4Very low166 Ų166138.4 Ų138.487%0.86973%0.733SS**  trans-146.90157.3-139102.6000109.2
441S35Very low37.1Very low99 Ų99137.7 Ų137.769%0.69272%0.72SS**  0109.5062.30000111.6
442R33.3Very low38.3Very low217 Ų217138.4 Ų138.482%0.81972%0.721SS**  72.296.8113.8-115.8-174.3-148.8171.70.4110.8
443F31.6Very low39.6Very low172 Ų172135.5 Ų135.575%0.75471%0.711SS**  108.193127.8-89.1-79.6000109.5
444F31.2Very low41.1Very low190 Ų190132.4 Ų132.483%0.83370%0.695SS**  trans147.9111.9139.5-91.4-79.3000109
445S30.3Very low42.9Very low83 Ų83129 Ų12958%0.5868%0.681SS**  70.8108.2112.152.10000110.8
446I33.1Very low44.5Very low143 Ų143123.1 Ų123.173%0.73366%0.658SS**  93.494.8122.9-67.2166.9000108.9T449I446-T449 HydrophobicContact CG2-CG2 3.6Å
447S36.7Very low46.4Very low93 Ų93118.3 Ų118.365%0.6564%0.636SS**  trans158.275.4147.5159.40000109.7T449S447-T449 PolarHBondContact OG-OG1 2.89Å; S447-T449 VanDerWaalsContact OG-OG1 3.08Å
448S43.9Very low48.2Very low82 Ų82111.9 Ų111.957%0.57362%0.618SS**  -122.10116129.10000109.7A450 T452S448-A450 PolarHBondContact O-N 1.85Å; S448-A450 VanDerWaalsContact O-N 3.11Å; S448-T452 PolarHBondContact O-OG1 3.17Å
449T51.5Low50.3Low64 Ų64108.1 Ų108.139%0.39359%0.593SS.*THydrogen-bonded Turn00051.50000111I446 S447 L453I446-T449 HydrophobicContact CG2-CG2 3.6Å; S447-T449 PolarHBondContact OG-OG1 2.89Å; S447-T449 VanDerWaalsContact OG-OG1 3.08Å; T449-L453 WeakPolarHBondContact O-CB 3.35Å; T449-L453 WeakPolarHBondContact O-CD1 3.44Å
450A56.8Low52.4Low54 Ų54104.9 Ų104.945%0.44658%0.575SS.*THydrogen-bonded Turn00000000109.4S448 I454S448-A450 PolarHBondContact O-N 1.85Å; S448-A450 VanDerWaalsContact O-N 3.11Å; A450-I454 WeakPolarHBondContact O-CB 3.5Å; A450-I454 WeakPolarHBondContact O-CD1 3.43Å; A450-I454 WeakPolarHBondContact O-CG1 2.9Å; A450-I454 PolarHBondContact O-N 2.93Å
451N49.8Very low54.6Low99 Ų99101 Ų10153%0.52956%0.558SS.*Hα-helix000-78.3-14.7000110.3I454 I455N451-I454 CarbonylContact O-C 3.56Å; N451-I454 PolarHBondContact O-N 1.7Å; N451-I454 WeakPolarHBondContact OD1-CD1 2.94Å; N451-I455 WeakPolarHBondContact O-CA 3.38Å; N451-I455 WeakPolarHBondContact O-CB 3.3Å; N451-I455 WeakPolarHBondContact O-CD1 3.45Å; N451-I455 WeakPolarHBondContact O-CG1 3.46Å; N451-I455 PolarHBondContact O-N 2.12Å
452T58.4Low56.5Low107 Ų10798 Ų9866%0.65654%0.537SS*.Hα-helix0-22032.60000111S448 G456S448-T452 PolarHBondContact O-OG1 3.17Å; T452-G456 WeakPolarHBondContact O-CA 3.1Å; T452-G456 PolarHBondContact O-N 2.64Å
453L62.5Low58.9Low108 Ų10890.4 Ų90.457%0.56551%0.51SS*.Hα-helixtrans-81.90169.3-136.2143.9000110.9T449 C457T449-L453 WeakPolarHBondContact O-CB 3.35Å; T449-L453 WeakPolarHBondContact O-CD1 3.44Å; L453-C457 WeakPolarHBondContact O-CB 2.97Å; L453-C457 PolarHBondContact O-N 3.44Å; L453-C457 PolarHBondContact O-SG 3.47Å
454I68.1Low61.3Low89 Ų8985.8 Ų85.846%0.45650%0.496SS..Hα-helix0-32.80-68.3174.7000108.7A450 N451 C457 I458A450-I454 WeakPolarHBondContact O-CB 3.5Å; A450-I454 WeakPolarHBondContact O-CD1 3.43Å; A450-I454 WeakPolarHBondContact O-CG1 2.9Å; A450-I454 PolarHBondContact O-N 2.93Å; N451-I454 CarbonylContact O-C 3.56Å; N451-I454 PolarHBondContact O-N 1.7Å; N451-I454 WeakPolarHBondContact OD1-CD1 2.94Å; I454-C457 PolarHBondContact O-N 3.3Å; I454-I458 HydrophobicContact CG2-CD1 4.14Å; I454-I458 WeakPolarHBondContact O-CG1 3.26Å; I454-I458 PolarHBondContact O-N 3.16Å
455I72.3Confident63.6Low101 Ų10180.7 Ų80.752%0.51848%0.48SS..Hα-helixtrans-78.20175.6-70.8168.2000109.1N451 I458 I459N451-I455 WeakPolarHBondContact O-CA 3.38Å; N451-I455 WeakPolarHBondContact O-CB 3.3Å; N451-I455 WeakPolarHBondContact O-CD1 3.45Å; N451-I455 WeakPolarHBondContact O-CG1 3.46Å; N451-I455 PolarHBondContact O-N 2.12Å; I455-I458 PolarHBondContact O-N 2.39Å; I455-I459 HydrophobicContact CG2-CD1 4.01Å; I455-I459 WeakPolarHBondContact O-CB 3.4Å; I455-I459 WeakPolarHBondContact O-CD1 3.33Å; I455-I459 WeakPolarHBondContact O-CG1 2.71Å; I455-I459 PolarHBondContact O-N 3.07Å
456G68.3Low66.2Low34 Ų3477.4 Ų77.435%0.35146%0.456SS..Hα-helix00000000112T452 L460T452-G456 WeakPolarHBondContact O-CA 3.1Å; T452-G456 PolarHBondContact O-N 2.64Å; G456-L460 VanDerWaalsContact O-CB 3.31Å; G456-L460 WeakPolarHBondContact O-CB 3.12Å; G456-L460 PolarHBondContact O-N 2.92Å
457C74Confident68.4Low61 Ų6173.7 Ų73.741%0.41244%0.44SS..Hα-helix000-80.40000110L453 I454 L460 V461L453-C457 WeakPolarHBondContact O-CB 2.97Å; L453-C457 PolarHBondContact O-N 3.44Å; L453-C457 PolarHBondContact O-SG 3.47Å; I454-C457 PolarHBondContact O-N 3.3Å; C457-L460 PolarHBondContact O-N 3.03Å; C457-V461 WeakPolarHBondContact O-CB 3.18Å; C457-V461 WeakPolarHBondContact O-CG2 3.05Å; C457-V461 PolarHBondContact O-N 3.45Å
458I73.5Confident70.4Confident99 Ų9976.3 Ų76.351%0.50844%0.44SS..Hα-helix0-26.50-69175.1000108.9M1 I454 I455 S462M1-I458 HydrophobicContact CE-CG2 3.99Å; M1-I458 WeakPolarHBondContact CE-O 2.71Å; M1-I458 WeakPolarHBondContact CG-O 2.21Å; M1-I458 HydrophobicContact SD-CG2 4.04Å; M1-I458 CovalentContact SD-O 1.67Å; I454-I458 HydrophobicContact CG2-CD1 4.14Å; I454-I458 WeakPolarHBondContact O-CG1 3.26Å; I454-I458 PolarHBondContact O-N 3.16Å; I455-I458 PolarHBondContact O-N 2.39Å; I458-S462 WeakPolarHBondContact O-CB 3.37Å; I458-S462 PolarHBondContact O-N 3.09Å; I458-S462 PolarHBondContact O-OG 3.31Å
459I82Confident71.9Confident41 Ų4174.5 Ų74.521%0.2143%0.43CS..Hα-helixtrans-78.9-33.7175.9-69.9174.6000109.1M1 I2 F5 I455 F463M1-I459 CarbonylContact C-O 3.4Å; M1-I459 VanDerWaalsContact C-O 3.28Å; M1-I459 WeakPolarHBondContact CA-O 3.12Å; M1-I459 WeakPolarHBondContact CB-O 2.94Å; M1-I459 WeakPolarHBondContact CG-O 2.79Å; M1-I459 VanDerWaalsContact SD-C 3.59Å; M1-I459 WeakPolarHBondContact SD-CA 3.41Å; I2-I459 HydrophobicContact CB-CG2 4.37Å; I2-I459 HydrophobicContact CD1-CG2 4.38Å; I2-I459 HydrophobicContact CG1-CG2 3.3Å; I2-I459 PolarHBondContact N-O 3.5Å; F5-I459 HydrophobicContact CD2-CG1 4.23Å; F5-I459 HydrophobicContact CE2-CD1 4.3Å; F5-I459 HydrophobicContact CE2-CG1 4.18Å; F5-I459 HydrophobicContact CZ-CD1 4.32Å; I455-I459 HydrophobicContact CG2-CD1 4.01Å; I455-I459 WeakPolarHBondContact O-CB 3.4Å; I455-I459 WeakPolarHBondContact O-CD1 3.33Å; I455-I459 WeakPolarHBondContact O-CG1 2.71Å; I455-I459 PolarHBondContact O-N 3.07Å; I459-F463 WeakPolarHBondContact O-CB 2.97Å; I459-F463 PolarHBondContact O-N 3.16Å
460L76.8Confident73.4Confident100 Ų10078.3 Ų78.352%0.52444%0.438SS..Hα-helixtrans-71.2-38.1174.7-146.7148.6000111G456 C457 F463 V464G456-L460 VanDerWaalsContact O-CB 3.31Å; G456-L460 WeakPolarHBondContact O-CB 3.12Å; G456-L460 PolarHBondContact O-N 2.92Å; C457-L460 PolarHBondContact O-N 3.03Å; L460-F463 PolarHBondContact O-N 1.77Å; L460-V464 HydrophobicContact CD2-CG2 3.8Å; L460-V464 WeakPolarHBondContact O-CB 3.22Å; L460-V464 WeakPolarHBondContact O-CG2 3.33Å; L460-V464 PolarHBondContact O-N 2.89Å
461V77.5Confident74.3Confident86 Ų8678.8 Ų78.852%0.52144%0.438SS..Hα-helixtrans-73.70179172.10000108.9M1 C457 F463 V464 V465M1-V461 HydrophobicContact CE-CB 4.34Å; M1-V461 HydrophobicContact CE-CG1 4.48Å; M1-V461 VanDerWaalsContact SD-C 3.57Å; C457-V461 WeakPolarHBondContact O-CB 3.18Å; C457-V461 WeakPolarHBondContact O-CG2 3.05Å; C457-V461 PolarHBondContact O-N 3.45Å; V461-F463 VanDerWaalsContact C-N 3.34Å; V461-F463 PolarHBondContact O-N 3.21Å; V461-V464 PolarHBondContact O-N 3.31Å; V461-V465 HydrophobicContact CG1-CG2 4.33Å; V461-V465 WeakPolarHBondContact O-CG2 3.33Å; V461-V465 PolarHBondContact O-N 2.96Å
462S75.5Confident75.3Confident35 Ų3577.3 Ų77.325%0.24544%0.435CS..Hα-helix0-26.10-55.80000110.9M1 I458 V465 I466M1-S462 WeakPolarHBondContact CA-O 3.19Å; M1-S462 CovalentContact CB-C 1.8Å; M1-S462 WeakPolarHBondContact CB-O 3.11Å; M1-S462 WeakPolarHBondContact CB-OG 3.35Å; M1-S462 CovalentContact CE-OG 1.26Å; M1-S462 WeakPolarHBondContact CE-OG 3.01Å; M1-S462 CovalentContact CG-CA 1.54Å; M1-S462 CovalentContact CG-CB 0.66Å; M1-S462 WeakPolarHBondContact CG-O 3.47Å; M1-S462 WeakPolarHBondContact CG-OG 3.07Å; M1-S462 PolarHBondContact N-O 2.67Å; M1-S462 VanDerWaalsContact SD-C 3.58Å; M1-S462 WeakPolarHBondContact SD-CA 3.15Å; M1-S462 CovalentContact SD-CB 1.7Å; M1-S462 WeakPolarHBondContact SD-CB 3.17Å; M1-S462 PolarHBondContact SD-N 3.48Å; M1-S462 CovalentContact SD-OG 1.35Å; M1-S462 PolarHBondContact SD-OG 3.41Å; I458-S462 WeakPolarHBondContact O-CB 3.37Å; I458-S462 PolarHBondContact O-N 3.09Å; I458-S462 PolarHBondContact O-OG 3.31Å; S462-V465 PolarHBondContact O-N 3.19Å; S462-I466 WeakPolarHBondContact O-CB 3.49Å; S462-I466 WeakPolarHBondContact O-CD1 3.34Å; S462-I466 WeakPolarHBondContact O-CG1 3.45Å; S462-I466 PolarHBondContact O-N 2.96Å; S462-I466 VanDerWaalsContact O-N 3.08Å
463F83.7Confident76.1Confident58 Ų5879.1 Ų79.125%0.25443%0.431SS..Hα-helixtrans-79.4-34.8177.9-172.4-99.5000109.3M1 I2 F3 I459 L460 V461 I466 V467M1-F463 VanDerWaalsContact C-N 3.26Å; M1-F463 HydrophobicContact CB-CB 3.38Å; M1-F463 CovalentContact CB-N 1.66Å; M1-F463 CovalentContact N-CA 1.39Å; M1-F463 PolarHBondContact N-O 3.4Å; I2-F463 HydrophobicContact CB-CB 3.82Å; I2-F463 HydrophobicContact CB-CD1 4.29Å; I2-F463 HydrophobicContact CB-CD2 2.96Å; I2-F463 HydrophobicContact CB-CE2 3.52Å; I2-F463 HydrophobicContact CB-CG 3.44Å; I2-F463 VanDerWaalsContact CB-CG 3.44Å; I2-F463 HydrophobicContact CB-CZ 4.35Å; I2-F463 HydrophobicContact CG1-CB 4.01Å; I2-F463 HydrophobicContact CG1-CD2 4.09Å; I2-F463 HydrophobicContact CG1-CG 4.09Å; I2-F463 HydrophobicContact CG2-CD2 3.96Å; I2-F463 HydrophobicContact CG2-CE2 3.99Å; F3-F463 HydrophobicContact CB-CD2 3.43Å; F3-F463 VanDerWaalsContact CB-CD2 3.43Å; F3-F463 HydrophobicContact CB-CE2 2.89Å; F3-F463 HydrophobicContact CB-CZ 3.85Å; F3-F463 AromaticContact CD2-CE2 3.82Å; F3-F463 HydrophobicContact CD2-CE2 3.82Å; F3-F463 HydrophobicContact CD2-CZ 4.17Å; F3-F463 AromaticContact CG-CE2 3.83Å; F3-F463 HydrophobicContact CG-CE2 3.83Å; F3-F463 HydrophobicContact CG-CZ 4.48Å; I459-F463 WeakPolarHBondContact O-CB 2.97Å; I459-F463 PolarHBondContact O-N 3.16Å; L460-F463 PolarHBondContact O-N 1.77Å; V461-F463 VanDerWaalsContact C-N 3.34Å; V461-F463 PolarHBondContact O-N 3.21Å; F463-I466 PolarHBondContact O-N 2.86Å; F463-V467 HydrophobicContact CD1-CG2 3.84Å; F463-V467 HydrophobicContact CE1-CG2 3.61Å; F463-V467 HydrophobicContact CG-CG2 4.4Å; F463-V467 HydrophobicContact CZ-CG2 3.99Å; F463-V467 WeakPolarHBondContact O-CB 2.66Å; F463-V467 WeakPolarHBondContact O-CG2 3.31Å; F463-V467 PolarHBondContact O-N 3.41Å
464V81.7Confident76.4Confident75 Ų7578.2 Ų78.246%0.45542%0.423SS..Hα-helixtrans-74.10179.7173.30000109.1L460 V461 V467 F468L460-V464 HydrophobicContact CD2-CG2 3.8Å; L460-V464 WeakPolarHBondContact O-CB 3.22Å; L460-V464 WeakPolarHBondContact O-CG2 3.33Å; L460-V464 PolarHBondContact O-N 2.89Å; V461-V464 PolarHBondContact O-N 3.31Å; V464-V467 PolarHBondContact O-N 3.16Å; V464-F468 VanDerWaalsContact O-CB 3.26Å; V464-F468 WeakPolarHBondContact O-CB 3.36Å; V464-F468 PolarHBondContact O-N 2.69Å
465V80.2Confident76.5Confident83 Ų8383.1 Ų83.150%0.50344%0.438SS..Hα-helix0-32.40171.60000108.9V461 S462 F468 A469V461-V465 HydrophobicContact CG1-CG2 4.33Å; V461-V465 WeakPolarHBondContact O-CG2 3.33Å; V461-V465 PolarHBondContact O-N 2.96Å; S462-V465 PolarHBondContact O-N 3.19Å; V465-F468 PolarHBondContact O-N 3.09Å; V465-A469 WeakPolarHBondContact O-CB 3.46Å; V465-A469 PolarHBondContact O-N 3.15Å
466I83.6Confident76Confident14 Ų1483.3 Ų83.37%0.07245%0.446CS..Hα-helixtrans-75.90178.9-71172.4000109.4R4 S462 F463 F468 A469 Y470R4-I466 HydrophobicContact CB-CB 4.37Å; R4-I466 CovalentContact CB-CD1 1.95Å; R4-I466 HydrophobicContact CB-CD1 1.95Å; R4-I466 HydrophobicContact CB-CG1 3.46Å; R4-I466 VanDerWaalsContact CB-CG1 3.46Å; R4-I466 HydrophobicContact CB-CG2 4.48Å; R4-I466 HydrophobicContact CG-CB 3.39Å; R4-I466 CovalentContact CG-CD1 1.48Å; R4-I466 HydrophobicContact CG-CD1 1.48Å; R4-I466 HydrophobicContact CG-CG1 2.5Å; R4-I466 HydrophobicContact CG-CG2 3.3Å; R4-I466 VanDerWaalsContact CZ-CG1 3.41Å; S462-I466 WeakPolarHBondContact O-CB 3.49Å; S462-I466 WeakPolarHBondContact O-CD1 3.34Å; S462-I466 WeakPolarHBondContact O-CG1 3.45Å; S462-I466 PolarHBondContact O-N 2.96Å; S462-I466 VanDerWaalsContact O-N 3.08Å; F463-I466 PolarHBondContact O-N 2.86Å; I466-F468 VanDerWaalsContact C-N 3.29Å; I466-F468 PolarHBondContact O-N 3.02Å; I466-A469 PolarHBondContact O-N 3.14Å; I466-A469 VanDerWaalsContact O-N 3.15Å; I466-Y470 VanDerWaalsContact O-CB 3.28Å; I466-Y470 WeakPolarHBondContact O-CB 3.33Å; I466-Y470 PolarHBondContact O-N 2.95Å
467V79.8Confident75.4Confident65 Ų6589.9 Ų89.939%0.39446%0.462SS..Hα-helix0-330173.40000110.2F463 V464 S471F463-V467 HydrophobicContact CD1-CG2 3.84Å; F463-V467 HydrophobicContact CE1-CG2 3.61Å; F463-V467 HydrophobicContact CG-CG2 4.4Å; F463-V467 HydrophobicContact CZ-CG2 3.99Å; F463-V467 WeakPolarHBondContact O-CB 2.66Å; F463-V467 WeakPolarHBondContact O-CG2 3.31Å; F463-V467 PolarHBondContact O-N 3.41Å; V464-V467 PolarHBondContact O-N 3.16Å; V467-S471 WeakPolarHBondContact O-CB 3.42Å; V467-S471 PolarHBondContact O-N 3.35Å; V467-S471 PolarHBondContact O-OG 3.04Å
468F79.2Confident74.4Confident147 Ų14793.2 Ų93.265%0.64547%0.466SS*.Hα-helixtrans-770177.7-147.7-94.4000109.8V464 V465 I466 S471 C472V464-F468 VanDerWaalsContact O-CB 3.26Å; V464-F468 WeakPolarHBondContact O-CB 3.36Å; V464-F468 PolarHBondContact O-N 2.69Å; V465-F468 PolarHBondContact O-N 3.09Å; I466-F468 VanDerWaalsContact C-N 3.29Å; I466-F468 PolarHBondContact O-N 3.02Å; F468-S471 PolarHBondContact O-N 3.03Å; F468-C472 WeakPolarHBondContact O-CB 3.23Å; F468-C472 PolarHBondContact O-N 3.41Å; F468-C472 PolarHBondContact O-SG 2.79Å
469A75.8Confident73.4Confident45 Ų4594.4 Ų94.437%0.37247%0.467SS..Hα-helix0-28.9000000110V465 I466 C472 Y473V465-A469 WeakPolarHBondContact O-CB 3.46Å; V465-A469 PolarHBondContact O-N 3.15Å; I466-A469 PolarHBondContact O-N 3.14Å; I466-A469 VanDerWaalsContact O-N 3.15Å; A469-C472 CarbonylContact O-C 3.59Å; A469-C472 PolarHBondContact O-N 3.23Å; A469-Y473 VanDerWaalsContact O-CB 3.28Å; A469-Y473 WeakPolarHBondContact O-CB 2.09Å; A469-Y473 PolarHBondContact O-N 3.01Å
470Y82.4Confident71.3Confident144 Ų144101.5 Ų101.557%0.56550%0.497SS*.Hα-helixtrans-76.4-30.4173.7-149.2-97.6000111.1I466 Y473 Q474I466-Y470 VanDerWaalsContact O-CB 3.28Å; I466-Y470 WeakPolarHBondContact O-CB 3.33Å; I466-Y470 PolarHBondContact O-N 2.95Å; Y470-Y473 PolarHBondContact O-N 3.05Å; Y470-Q474 HydrophobicContact CD1-CG 3.84Å; Y470-Q474 HydrophobicContact CE1-CG 3.88Å; Y470-Q474 VanDerWaalsContact CE1-NE2 3.31Å; Y470-Q474 WeakPolarHBondContact O-CB 3.32Å; Y470-Q474 WeakPolarHBondContact O-CG 3.16Å; Y470-Q474 PolarHBondContact O-N 2.97Å
471S74.7Confident69.8Low64 Ų64102.2 Ų102.245%0.44850%0.5SS..Hα-helixtrans-74.10172.7-67.50000110.6V467 F468 Y475V467-S471 WeakPolarHBondContact O-CB 3.42Å; V467-S471 PolarHBondContact O-N 3.35Å; V467-S471 PolarHBondContact O-OG 3.04Å; F468-S471 PolarHBondContact O-N 3.03Å; S471-Y475 WeakPolarHBondContact O-CA 3.16Å; S471-Y475 WeakPolarHBondContact O-CB 2.58Å; S471-Y475 PolarHBondContact O-N 2.97Å
472C71.9Confident67.9Low67 Ų67105.7 Ų105.745%0.45350%0.504SS..Hα-helix0-25.50-84.90000109.9F468 A469 C476F468-C472 WeakPolarHBondContact O-CB 3.23Å; F468-C472 PolarHBondContact O-N 3.41Å; F468-C472 PolarHBondContact O-SG 2.79Å; A469-C472 CarbonylContact O-C 3.59Å; A469-C472 PolarHBondContact O-N 3.23Å; C472-C476 VanDerWaalsContact O-CB 3.3Å; C472-C476 WeakPolarHBondContact O-CB 3.15Å; C472-C476 PolarHBondContact O-N 2.93Å; C472-C476 VanDerWaalsContact O-N 3.13Å; C472-C476 PolarHBondContact O-SG 3.22Å
473Y75.6Confident66.2Low146 Ų146109.6 Ų109.657%0.57353%0.527SS*.Hα-helixtrans-83.7-34177.3-178.3-99.5000110.1A469 Y470 C476 Y477A469-Y473 VanDerWaalsContact O-CB 3.28Å; A469-Y473 WeakPolarHBondContact O-CB 2.09Å; A469-Y473 PolarHBondContact O-N 3.01Å; Y470-Y473 PolarHBondContact O-N 3.05Å; Y473-C476 PolarHBondContact O-N 3.45Å; Y473-Y477 HydrophobicContact CE2-CD2 4.41Å; Y473-Y477 WeakPolarHBondContact O-CB 3.4Å; Y473-Y477 PolarHBondContact O-N 2.94Å; Y473-Y477 VanDerWaalsContact O-N 3.11Å
474Q67.5Low64.3Low89 Ų89112 Ų11242%0.41654%0.541SS..Hα-helixtrans-81.7-20.4176.3-78.3-123.87.700111.2Y470 R478Y470-Q474 HydrophobicContact CD1-CG 3.84Å; Y470-Q474 HydrophobicContact CE1-CG 3.88Å; Y470-Q474 VanDerWaalsContact CE1-NE2 3.31Å; Y470-Q474 WeakPolarHBondContact O-CB 3.32Å; Y470-Q474 WeakPolarHBondContact O-CG 3.16Å; Y470-Q474 PolarHBondContact O-N 2.97Å; Q474-R478 WeakPolarHBondContact O-CA 3.43Å; Q474-R478 WeakPolarHBondContact O-CB 3.31Å; Q474-R478 WeakPolarHBondContact O-CG 2.76Å; Q474-R478 PolarHBondContact O-N 3.03Å
475Y69.8Low62.1Low192 Ų192114.8 Ų114.875%0.75355%0.549SS*.Hα-helixtrans-850173.2-173.7-99.7000110S471S471-Y475 WeakPolarHBondContact O-CA 3.16Å; S471-Y475 WeakPolarHBondContact O-CB 2.58Å; S471-Y475 PolarHBondContact O-N 2.97Å
476C63.7Low60Low104 Ų104113.6 Ų113.670%0.70354%0.539SS*.Hα-helix0-1.40-80.30000109.8C472 Y473C472-C476 VanDerWaalsContact O-CB 3.3Å; C472-C476 WeakPolarHBondContact O-CB 3.15Å; C472-C476 PolarHBondContact O-N 2.93Å; C472-C476 VanDerWaalsContact O-N 3.13Å; C472-C476 PolarHBondContact O-SG 3.22Å; Y473-C476 PolarHBondContact O-N 3.45Å
477Y54.1Low57.7Low173 Ų173113.6 Ų113.668%0.67854%0.54SS*.Hα-helixtrans-126.70178.2-122.9-89.4000109.6Y473 K479Y473-Y477 HydrophobicContact CE2-CD2 4.41Å; Y473-Y477 WeakPolarHBondContact O-CB 3.4Å; Y473-Y477 PolarHBondContact O-N 2.94Å; Y473-Y477 VanDerWaalsContact O-N 3.11Å; Y477-K479 VanDerWaalsContact C-CA 3.48Å; Y477-K479 WeakPolarHBondContact O-CA 3.38Å; Y477-K479 WeakPolarHBondContact O-CB 3.44Å; Y477-K479 PolarHBondContact O-N 3Å
478R54.5Low55.5Low130 Ų130116.8 Ų116.849%0.49156%0.555SS.*SBend043.30-96.4-166.2176.2174.1-0.4111.4Q474 K480Q474-R478 WeakPolarHBondContact O-CA 3.43Å; Q474-R478 WeakPolarHBondContact O-CB 3.31Å; Q474-R478 WeakPolarHBondContact O-CG 2.76Å; Q474-R478 PolarHBondContact O-N 3.03Å; R478-K480 WeakPolarHBondContact O-CA 3.36Å; R478-K480 WeakPolarHBondContact O-CB 3.23Å; R478-K480 PolarHBondContact O-N 2.85Å
479K51.5Low53.2Low125 Ų125118.6 Ų118.654%0.54356%0.563SS.*  35.825.791-116.4-178.5177.9-178.30110.9Y477 L481Y477-K479 VanDerWaalsContact C-CA 3.48Å; Y477-K479 WeakPolarHBondContact O-CA 3.38Å; Y477-K479 WeakPolarHBondContact O-CB 3.44Å; Y477-K479 PolarHBondContact O-N 3Å; K479-L481 HydrophobicContact CB-CB 3.38Å; K479-L481 HydrophobicContact CB-CD1 3.09Å; K479-L481 HydrophobicContact CB-CG 3.75Å; K479-L481 HydrophobicContact CD-CB 4.25Å; K479-L481 HydrophobicContact CD-CD1 2.24Å; K479-L481 HydrophobicContact CD-CG 3.71Å; K479-L481 HydrophobicContact CG-CB 3.31Å; K479-L481 HydrophobicContact CG-CD1 2.05Å; K479-L481 HydrophobicContact CG-CD2 4.43Å; K479-L481 HydrophobicContact CG-CG 3.01Å; K479-L481 CarbonylContact O-C 3.24Å; K479-L481 WeakPolarHBondContact O-CA 3.36Å; K479-L481 WeakPolarHBondContact O-CB 2.93Å; K479-L481 PolarHBondContact O-N 3.46Å
480K38.5Very low50.9Low190 Ų190120.4 Ų120.483%0.82657%0.573SS**  -32.714.9106.6-124.7177.8179.8179.80110.5R478 R482R478-K480 WeakPolarHBondContact O-CA 3.36Å; R478-K480 WeakPolarHBondContact O-CB 3.23Å; R478-K480 PolarHBondContact O-N 2.85Å; K480-R482 PolarHBondContact O-N 3.31Å
481L45.4Very low48.4Very low114 Ų114120.5 Ų120.560%0.59758%0.581SS**  -10.152.486-89.1145.3000111.3K479 T483K479-L481 HydrophobicContact CB-CB 3.38Å; K479-L481 HydrophobicContact CB-CD1 3.09Å; K479-L481 HydrophobicContact CB-CG 3.75Å; K479-L481 HydrophobicContact CD-CB 4.25Å; K479-L481 HydrophobicContact CD-CD1 2.24Å; K479-L481 HydrophobicContact CD-CG 3.71Å; K479-L481 HydrophobicContact CG-CB 3.31Å; K479-L481 HydrophobicContact CG-CD1 2.05Å; K479-L481 HydrophobicContact CG-CD2 4.43Å; K479-L481 HydrophobicContact CG-CG 3.01Å; K479-L481 CarbonylContact O-C 3.24Å; K479-L481 WeakPolarHBondContact O-CA 3.36Å; K479-L481 WeakPolarHBondContact O-CB 2.93Å; K479-L481 PolarHBondContact O-N 3.46Å; L481-T483 PolarHBondContact O-N 2.99Å
482R36.9Very low46.1Very low159 Ų159122.4 Ų122.460%0.659%0.591SS**  trans-161.254.6160.4-86.3-169-166.7166.5-0108.8K480K480-R482 PolarHBondContact O-N 3.31Å
483T39.8Very low43.9Very low118 Ų118128.7 Ų128.772%0.72461%0.606SS**  trans-141.157.6144.832.90000108.7L481L481-T483 PolarHBondContact O-N 2.99Å
484I44.8Very low41.5Very low108 Ų108131.9 Ų131.955%0.55462%0.617SS**  85.8094.6-63.2172.7000109.1
485Q33.9Very low39.6Very low133 Ų133132 Ų13262%0.62163%0.627SS**  000-105.4-178.1-12.900109.8R1022Q485-R1022 VanDerWaalsContact C-CG 3.46Å; Q485-R1022 WeakPolarHBondContact O-CG 3.37Å
486I37.4Very low37.6Very low59 Ų59127.1 Ų127.130%0.30362%0.622SS.*  000-61.2170.6000109R1022 Y1023I486-R1022 HydrophobicContact CB-CB 4.08Å; I486-R1022 HydrophobicContact CB-CG 2.85Å; I486-R1022 HydrophobicContact CG1-CG 4.26Å; I486-R1022 HydrophobicContact CG2-CG 3.56Å; I486-R1022 CarbonylContact O-C 3.57Å; I486-R1022 VanDerWaalsContact O-C 3.24Å; I486-R1022 WeakPolarHBondContact O-CA 3.08Å; I486-R1022 CovalentContact O-CB 1.03Å; I486-R1022 WeakPolarHBondContact O-CB 2.85Å; I486-R1022 WeakPolarHBondContact O-CD 3.13Å; I486-R1022 CovalentContact O-CG 0.66Å; I486-R1022 WeakPolarHBondContact O-CG 1.35Å; I486-R1022 PolarHBondContact O-N 2.47Å; I486-R1022 PolarHBondContact O-NE 3.11Å; I486-Y1023 HydrophobicContact CB-CE1 4.13Å; I486-Y1023 HydrophobicContact CG2-CD1 3.73Å; I486-Y1023 HydrophobicContact CG2-CE1 2.95Å; I486-Y1023 HydrophobicContact CG2-CE2 3.91Å; I486-Y1023 HydrophobicContact CG2-CG 4.47Å; I486-Y1023 WeakPolarHBondContact CG2-OH 3.28Å; I486-Y1023 WeakPolarHBondContact O-CD2 0.66Å; I486-Y1023 WeakPolarHBondContact O-CE2 3.29Å
487P34.9Very low35.9Very low14 Ų14130.8 Ų130.89%0.09163%0.626CS.*  0141.2031.5-3.5000112.7R1022 Y1023 T1024P487-R1022 VanDerWaalsContact CA-CB 3.48Å; P487-R1022 VanDerWaalsContact CD-CG 3.4Å; P487-Y1023 CovalentContact C-CD2 1.1Å; P487-Y1023 CovalentContact CA-CD2 1.34Å; P487-Y1023 CovalentContact CB-CD1 0.65Å; P487-Y1023 HydrophobicContact CB-CD1 0.65Å; P487-Y1023 HydrophobicContact CB-CD2 2.76Å; P487-Y1023 HydrophobicContact CB-CE1 2Å; P487-Y1023 HydrophobicContact CB-CE2 3.35Å; P487-Y1023 HydrophobicContact CB-CG 1.5Å; P487-Y1023 CovalentContact CD-CE1 1.26Å; P487-Y1023 CovalentContact CD-CZ 1.46Å; P487-Y1023 WeakPolarHBondContact CD-OH 3.5Å; P487-Y1023 CovalentContact CG-CD1 1.13Å; P487-Y1023 HydrophobicContact CG-CD1 1.13Å; P487-Y1023 HydrophobicContact CG-CD2 3.23Å; P487-Y1023 CovalentContact CG-CE1 0.99Å; P487-Y1023 HydrophobicContact CG-CE1 0.99Å; P487-Y1023 HydrophobicContact CG-CE2 3.18Å; P487-Y1023 HydrophobicContact CG-CG 2.44Å; P487-Y1023 VanDerWaalsContact CG-OH 3.29Å; P487-Y1023 WeakPolarHBondContact CG-OH 3.36Å; P487-Y1023 WeakPolarHBondContact O-CD1 3.02Å; P487-Y1023 WeakPolarHBondContact O-CD2 1.03Å; P487-Y1023 WeakPolarHBondContact O-CE1 2.83Å; P487-Y1023 CovalentContact O-CE2 0.97Å; P487-Y1023 WeakPolarHBondContact O-CE2 3.24Å; P487-Y1023 PolarHBondContact O-OH 3.43Å; P487-T1024 WeakPolarHBondContact CB-OG1 3.47Å; P487-T1024 WeakPolarHBondContact CG-OG1 3.03Å
488N33.3Very low34.8Very low131 Ų131131.4 Ų131.470%0.70163%0.632SS**  116.5115.8129.5-104.3-6.7000110.1Y1023N488-Y1023 VanDerWaalsContact CA-CD2 3.49Å; N488-Y1023 HydrophobicContact CB-CD1 4.08Å; N488-Y1023 HydrophobicContact CB-CD2 3.88Å; N488-Y1023 HydrophobicContact CB-CE1 4.03Å; N488-Y1023 HydrophobicContact CB-CE2 3.89Å; N488-Y1023 HydrophobicContact CB-CG 3.95Å
489K31.4Very low33.8Very low186 Ų186132 Ų13281%0.80965%0.65SS**  123.3109121.9-107.7179.1-177.7178.40109.7
490S27.9Very low32.7Very low83 Ų83134 Ų13458%0.5866%0.664SS**  82.2111.3109.8680000110.5
491I29.6Very low32.4Very low146 Ų146134.1 Ų134.175%0.74966%0.664SS**  99.7109.8116.4-67.9169.7000108.8
492T27Very low31.7Very low104 Ų104139.6 Ų139.664%0.63868%0.677SS**  56.4117.2113.86.20000110.8
493Y24.6Very low31.5Very low198 Ų198138.8 Ų138.878%0.77668%0.684SS**  76.5124.8125.5-98.3-87.1000110.3
494W26.1Very low31.2Very low214 Ų214139.4 Ų139.481%0.81168%0.683SS**  103.8118128.6-100.860.2000109.8
495S26.1Very low30.6Very low90 Ų90145.1 Ų145.163%0.62970%0.697SS**  77.3126.4114.762.60000110.5
496S27.4Very low30.6Very low91 Ų91146.5 Ų146.564%0.63671%0.707SS**  130.8122.2113-122.20000109.7
497F29.7Very low30.5Very low180 Ų180149 Ų14979%0.78973%0.73SS**  109.1108.6102.9-116-90.2000109.6
498K30.8Very low30.3Very low186 Ų186156.5 Ų156.581%0.80976%0.764SS**  179.193.5119.7-104.2-177.6-176-177.50109.4
499T32.2Very low30.2Very low142 Ų142156.7 Ų156.787%0.87177%0.765SS**  -146.391.3114.135.40000109.1
500M29.8Very low30.5Very low169 Ų169156.2 Ų156.283%0.83377%0.765SS**  29.40112.5-137.5167.7155.400111.2
501K31.5Very low30.9Very low191 Ų191158 Ų15883%0.8377%0.772SS**  000-95.6-176.5-176.9179.60109.4
502R31.4Very low31.2Very low230 Ų230160.4 Ų160.487%0.86878%0.777SS**  000-109.2-173.5177.8-1760.4109.6
503L31.7Very low31.5Very low142 Ų142159.6 Ų159.674%0.74378%0.776SS**  000-88.2153.7000109.7
504N34.3Very low32.1Very low130 Ų130157.5 Ų157.570%0.69578%0.778SS**  000-94.3-9.9000110
505R32.3Very low32.4Very low228 Ų228154.4 Ų154.486%0.8678%0.777SS**  000-102.8-173.7-173.3177.60.6110.1
506I33.5Very low32.7Very low162 Ų162154.8 Ų154.883%0.83178%0.775SS**  000-65.7172.5000108
507S34.3Very low33.1Very low111 Ų111156.8 Ų156.878%0.77678%0.779SS**  000113.10000110
508Q30.8Very low33.3Very low172 Ų172156.5 Ų156.580%0.80478%0.78SS**  000-114-179.5-9.600111.2
509D32.3Very low33.3Very low135 Ų135156 Ų15672%0.72278%0.78SS**  000-81.9-17.6000109.2
510H36.8Very low33.2Very low177 Ų177157 Ų15782%0.81978%0.776SS**  000-114.1-46.8000109.6
511V36.6Very low33.5Very low119 Ų119157.9 Ų157.972%0.72178%0.775SS**  000176.50000108.1
512K35.1Very low33.5Very low197 Ų197154.4 Ų154.486%0.85777%0.769SS**  000-131.6173.8-176.3-179.70110.8
513S34.8Very low33.4Very low87 Ų87151 Ų15161%0.60876%0.763SS**  00075.20000109.9
514N36.2Very low33.2Very low154 Ų154151.1 Ų151.182%0.82476%0.762SS**  000-87.1-14.9000109.6
515L32.4Very low33.2Very low150 Ų150151.4 Ų151.479%0.78576%0.763SS**  000-121.9104.4000110.8
516T33.1Very low33Very low98 Ų98149 Ų14960%0.60176%0.759SS**  0124.90330000109.5
517N35.6Very low32.7Very low132 Ų132149.4 Ų149.471%0.70676%0.758SS**  149.40109.3-93.4-15.8000109.8
518Q33.9Very low32.4Very low174 Ų174148.8 Ų148.881%0.81375%0.752SS**  000-123.9-177.6-1.400109.8
519E29.7Very low32.3Very low175 Ų175148.8 Ų148.882%0.81875%0.75SS**  000-97.2-179.2176.200111.1
520Q31.1Very low32.2Very low165 Ų165147.2 Ų147.277%0.77175%0.745SS**  0113.30-109.3-177.81.600109.6
521K35.5Very low31.8Very low187 Ų187146.8 Ų146.881%0.81374%0.744SS**  151.10119.2-107.5179-178.7178.90109.7
522T31.8Very low31.5Very low117 Ų117148.8 Ų148.872%0.71875%0.75SS**  000-2.50000110.6
523E28.5Very low31.3Very low158 Ų158142.8 Ų142.874%0.73875%0.745SS**  0118.80-121174.5-177.400110.2
524M28.6Very low30.9Very low146 Ų146145.7 Ų145.772%0.71975%0.753SS**  112.6110117.5-90.1-146.8-83.600109.4
525N33.2Very low30.5Very low136 Ų136140.5 Ų140.573%0.72774%0.735SS**  138104.2123.2-94.9-7.3000109.9
526K30Very low30.2Very low178 Ų178141.6 Ų141.677%0.77473%0.733SS**  68.5107.6106.1-94.6-177.5-177.6178.90110.4
527E27.2Very low29.8Very low170 Ų170147.6 Ų147.679%0.79475%0.747SS**  81108.6116.7-90.8-179.7-179.900110.2
528C27.8Very low29.4Very low98 Ų98149.3 Ų149.366%0.66275%0.753SS**  149.599.7129.7-107.90000109.1
529F28.8Very low29Very low171 Ų171147.1 Ų147.175%0.7575%0.745SS**  111.399.3110.2-102.7-84.9000109.5
530T28.5Very low28.8Very low103 Ų103142.2 Ų142.263%0.63274%0.741SS**  101.298.3108.938.70000109.7
531Q29.2Very low28.5Very low168 Ų168140.9 Ų140.979%0.78573%0.729SS**  145.290.6125.8-101.3-171.9-5.600109.4
532N30.4Very low28.1Very low160 Ų160137.4 Ų137.486%0.85673%0.728SS**  112.785.8116.7-89.2-6000110.5
533G31.3Very low27.8Very low72 Ų72135.9 Ų135.974%0.74273%0.727SS**  155.475.6115.300000109.8
534L26.9Very low27.9Very low148 Ų148134.4 Ų134.478%0.77573%0.729SS**  18101.8113.9-106.3132.4000111.5
535G27Very low27.8Very low44 Ų44134.8 Ų134.845%0.45473%0.734SS.*  116.292.888.100000111.1
536K27Very low27.6Very low173 Ų173132.2 Ų132.275%0.75274%0.74SS**  127.6098.2-88.5-174.3-177.1-178.40109.8
537Y24.2Very low27.4Very low224 Ų224129.9 Ų129.988%0.87874%0.74SS**  000-85.8-85.9000111.4
538M25.8Very low27.4Very low169 Ų169129.8 Ų129.883%0.83374%0.744SS**  094.80-87.7-149.8-68.400109.4
539I25.8Very low27.3Very low128 Ų128130.6 Ų130.666%0.65675%0.751SS**  -5.290.9104.8-62.4170.1000110.2R541I539-R541 HydrophobicContact CG2-CG 4.46Å
540G26.3Very low27.2Very low71 Ų71128.4 Ų128.473%0.73275%0.752SS**  trans-119.488.2156.300000110.7
541R24.8Very low27.2Very low138 Ų138131.8 Ų131.852%0.52177%0.765SS.*  14.70102.6-80.7-165.7171.71570.9111.6I539 R1060I539-R541 HydrophobicContact CG2-CG 4.46Å; R541-R1060 VanDerWaalsContact CG-NH2 3.33Å; R541-R1060 VanDerWaalsContact NH1-NH1 3.18Å; R541-R1060 CovalentContact NH2-NE 1.83Å
542S27Very low27Very low113 Ų113128.3 Ų128.379%0.7977%0.765SS**  0113.9089.70000110.9
543A26.4Very low26.9Very low85 Ų85129.2 Ų129.270%0.70277%0.765SS**  trans-169.40143.600000109.2
544T29.1Very low26.8Very low127 Ų127131.2 Ų131.278%0.77977%0.767SS**  0101.3052.40000110.9
545D27.6Very low26.8Very low155 Ų155135 Ų13583%0.82977%0.773SS**  trans-168.70142-83.3-14.2000109.1
546G28.8Very low27.2Very low81 Ų81138.2 Ų138.284%0.83579%0.785SS**  069.1000000110.4L548G546-L548 VanDerWaalsContact C-N 3.35Å
547T26.4Very low27.2Very low129 Ų129133.4 Ų133.479%0.79179%0.785SS**  trans-65.784131.433.20000110.2
548L26.6Very low27.5Very low168 Ų168127.6 Ų127.688%0.8878%0.777SS**  trans-165.677.3148-109.9130.5000109.1G546G546-L548 VanDerWaalsContact C-N 3.35Å
549S24.5Very low27.6Very low115 Ų115125.9 Ų125.980%0.80477%0.772SS**  trans-136.4014719.40000109.6
550T27.6Very low27.9Very low126 Ų126127.9 Ų127.977%0.77378%0.776SS**  078032.50000108.8
551L28.2Very low28.2Very low173 Ų173130.4 Ų130.491%0.90677%0.772SS**  trans-169.964140.2-104.6131.9000109
552A25.7Very low28.7Very low95 Ų95130.8 Ų130.879%0.78578%0.78SS**  trans-87.898.1145.300000110.3
553E27.1Very low29Very low180 Ų180133.7 Ų133.784%0.84178%0.778SS**  trans148.194135.9-94.4177-177.700109.6
554S31.2Very low29.2Very low113 Ų113133.7 Ų133.779%0.7977%0.773SS**  trans-178.30136.536.40000109.3
555Y26.7Very low29.5Very low228 Ų228133.5 Ų133.589%0.89477%0.772SS**  000-98.1-86.5000111.3
556P35.2Very low29.6Very low111 Ų111130.2 Ų130.272%0.72176%0.761SS**  0141.2033.7-5000111.9
557G27.4Very low29.9Very low73 Ų73132.3 Ų132.375%0.75375%0.753SS**  trans123.1101.7136.800000110.6
558S28.5Very low30.1Very low101 Ų101131.2 Ų131.271%0.70674%0.742SS**  112.4108.4114.4177.50000110.1
559N28.9Very low30.4Very low134 Ų134128.8 Ų128.872%0.71773%0.729SS**  92.2114106.7-90.6-6.4000110.8
560K32.8Very low30.6Very low170 Ų170130.8 Ų130.874%0.73973%0.726SS**  132.3106.6111.2-85.3-172.9-178.3176.60109.7
561N32.2Very low30.8Very low123 Ų123129.4 Ų129.466%0.65872%0.721SS**  100108.3105.4-83.9-12.3000110.5
562E34Very low30.7Very low147 Ų147125.4 Ų125.469%0.68771%0.708SS**  119.4109.3103.3-101.6-178178.100110
563K33.4Very low30.7Very low173 Ų173127 Ų12775%0.75270%0.702SS**  115.6114.9100.6-117.4176.3-177177.70110
564S30.6Very low30.7Very low86 Ų86126.7 Ų126.760%0.60170%0.695SS**  96.1118.990.257.60000110.3
565T36.7Very low30.5Very low122 Ų122126 Ų12675%0.74868%0.682SS**  142.2110.4100.939.30000109.1
566S30Very low30.5Very low86 Ų86121.8 Ų121.860%0.60167%0.67SS**  89114.890.363.30000110.5
567D33.5Very low30.3Very low125 Ų125123.2 Ų123.267%0.66867%0.672SS**  139.6110.1105-87.8-16.6000109.7
568I31.8Very low30.1Very low107 Ų107130.2 Ų130.255%0.54968%0.675SS.*  108.9106.392.3-64.5173.6000108.7
569N32.4Very low30.4Very low116 Ų116131.2 Ų131.262%0.6268%0.68SS**  123.2108.5103.5-94.1-9000110.2
570Q29.5Very low30.2Very low158 Ų158130.6 Ų130.674%0.73868%0.676SS**  93.810895.2-94.9-175.5-2.900110.2
571S31.2Very low29.9Very low96 Ų96127 Ų12767%0.67166%0.664SS**  133.7105109.46.40000109.6
572S26.4Very low29.7Very low89 Ų89126.7 Ų126.762%0.62267%0.671SS**  67.4115.190.760.20000110.8
573L26Very low29.5Very low128 Ų128127.1 Ų127.167%0.6767%0.673SS**  103.8102.6112.1-99.1152.2000109.8
574Y26.6Very low29.2Very low175 Ų175123.1 Ų123.169%0.68667%0.667SS**  132.5102.3124.1-103.8-85.5000109.6
575L27.3Very low29.1Very low99 Ų99125.5 Ų125.552%0.51867%0.671SS.*  10499.4109.9-108128.4000109.9
576Q26.8Very low28.7Very low138 Ų138124 Ų12465%0.64567%0.665SS**  85.890.3109.9-142.3151.6-2.300110.6
577N29.8Very low28.5Very low142 Ų142129.5 Ų129.576%0.75967%0.673SS**  151.20125.2-83.2-17.2000109.7
578R24.7Very low28.1Very low219 Ų219129.6 Ų129.683%0.82667%0.674SS**  0123.80-128-177.4-159.9-166.5-0.1111.6
579P33.2Very low27.8Very low122 Ų122128.5 Ų128.579%0.79268%0.676SS**  trans-110.9104.4131.824.40.2000111.7
580L26.3Very low27.5Very low121 Ų121129.2 Ų129.263%0.63468%0.679SS**  37.9104.997.5-85.7149.2000111.1
581I25.7Very low27.2Very low95 Ų95129.3 Ų129.349%0.48768%0.679SS.*  51.50111.1-60.9168.6000109.6Q583I581-Q583 HydrophobicContact CB-CB 4.34Å; I581-Q583 HydrophobicContact CB-CG 4.17Å; I581-Q583 HydrophobicContact CD1-CG 4.2Å; I581-Q583 HydrophobicContact CG1-CG 4.47Å; I581-Q583 HydrophobicContact CG2-CB 2.84Å; I581-Q583 HydrophobicContact CG2-CG 2.83Å
582S28.5Very low27Very low116 Ų116129.5 Ų129.581%0.81168%0.681SS**  000158.50000110.1
583Q28.3Very low27Very low157 Ų157131.4 Ų131.473%0.73468%0.684SS**  0100.80-81.4-178.6-2.600111.3I581I581-Q583 HydrophobicContact CB-CB 4.34Å; I581-Q583 HydrophobicContact CB-CG 4.17Å; I581-Q583 HydrophobicContact CD1-CG 4.2Å; I581-Q583 HydrophobicContact CG1-CG 4.47Å; I581-Q583 HydrophobicContact CG2-CB 2.84Å; I581-Q583 HydrophobicContact CG2-CG 2.83Å
584S27.3Very low27.1Very low88 Ų88130.4 Ų130.462%0.61568%0.679SS**  trans-156.490.713459.80000109.5
585I29.4Very low27.3Very low137 Ų137130.6 Ų130.670%0.70368%0.68SS**  139.69299.1-66.8169.2000108.4
586S27.8Very low27.4Very low89 Ų89131.2 Ų131.262%0.62268%0.684SS**  19.611310083.60000111.8
587R26.1Very low27.4Very low202 Ų202133 Ų13376%0.76269%0.686SS**  161.4100.3127.4-94.4-172.4178.71501109.7
588N25.3Very low27.4Very low127 Ų127133.2 Ų133.268%0.67968%0.682SS**  83.6101.2110.3-78.9-12.6000110.8
589S24.9Very low27.4Very low85 Ų85126.8 Ų126.859%0.59467%0.671SS**  95.896115.358.10000110.4
590L25.7Very low27.2Very low131 Ų131126.9 Ų126.969%0.68666%0.664SS**  115.396.8122.5-91.2151.3000109.8
591Q24.9Very low27.2Very low159 Ų159126.6 Ų126.674%0.74366%0.664SS**  68.299.5113.7-120.8165.10.600111.1
592S26.4Very low27.4Very low101 Ų101128 Ų12871%0.70667%0.672SS**  14799.611985.80000109.5
593N26.5Very low27.4Very low129 Ų129128.7 Ų128.769%0.6967%0.667SS**  71.2102102.7-82.8-11.4000111.2
594D28.8Very low27.3Very low107 Ų107127.7 Ų127.757%0.57267%0.666SS**  144.4101.1115-83.6-18.7000109.4
595Y30.2Very low27.3Very low178 Ų178128.5 Ų128.570%0.69867%0.668SS**  135.9100.1102.9-86.6-80.3000109.5
596N28.6Very low27.2Very low112 Ų112129.6 Ų129.660%0.59967%0.668SS**  82.4103.898.1-96.5-11.6000111.1
597Y27.6Very low27.1Very low176 Ų176127.9 Ų127.969%0.6966%0.656SS**  140.1103104.1-107.7-88000109.4
598H28.5Very low27.2Very low146 Ų146123.3 Ų123.368%0.67665%0.65SS**  91.610399.9-96.9-41.4000110.7
599S26.5Very low27.3Very low84 Ų84124.2 Ų124.259%0.58765%0.65SS**  98.7102.8100.6173.20000110.3
600N27.9Very low27.4Very low124 Ų124129 Ų12966%0.66366%0.66SS**  118.5101108.4-117.61.3000110.2
601N27.1Very low27.7Very low116 Ų116130.6 Ų130.662%0.6267%0.669SS**  98.2101.6108.8-99.7-1.3000110.6
602N29.3Very low27.9Very low125 Ų125129.5 Ų129.567%0.66867%0.673SS**  127.1102116.4-92-6.6000110
603N27.6Very low28.1Very low129 Ų129130.3 Ų130.369%0.6968%0.676SS**  79.6112.7111-78.6-12.9000110.9
604N27.6Very low28.3Very low136 Ų136130.3 Ų130.373%0.72768%0.676SS**  96.80104.9-86.7-3.6000110.7
605T25.9Very low28.4Very low106 Ų106130.5 Ų130.565%0.6568%0.677SS**  00045.80000109.9
606K27.5Very low28.5Very low160 Ų160128.4 Ų128.470%0.69668%0.678SS**  000-87.1-174.4-177.61790110.7P772 P773K606-P772 HydrophobicContact CB-CG 4.42Å; K606-P772 WeakPolarHBondContact O-CB 2.48Å; K606-P773 WeakPolarHBondContact O-CD 3.29Å
607S25.7Very low28.7Very low53 Ų53129.6 Ų129.637%0.37168%0.684SS.*  000700000110P772 P773 P774S607-P772 PolarHBondContact OG-O 2.89Å; S607-P773 CarbonylContact C-O 3.52Å; S607-P773 CarbonylContact O-C 3.49Å; S607-P774 WeakPolarHBondContact O-CA 1.84Å
608V28.6Very low29Very low106 Ų106127.4 Ų127.464%0.64269%0.685SS**  000-1760000110.1
609H28.6Very low29.3Very low145 Ų145126.1 Ų126.167%0.67168%0.683SS**  000-124.7-38.8000109.3P774H609-P774 HydrophobicContact CB-CB 3.97Å; H609-P774 HydrophobicContact CB-CG 4.48Å
610F26.2Very low29.7Very low186 Ų186128.1 Ų128.182%0.81669%0.687SS**  000-79.2-81.9000111.4
611D31.6Very low30Very low164 Ų164128.1 Ų128.188%0.87769%0.687SS**  0123.50-85.9-19.8000109.7
612V29.8Very low30.4Very low136 Ų136128.4 Ų128.482%0.82469%0.688SS**  trans-55.80136-1780000109.6
613P30Very low30.6Very low118 Ų118128.6 Ų128.677%0.76669%0.689SS**  00033.6-4.4000111.8
614N31.4Very low30.8Very low130 Ų130128.9 Ų128.970%0.69569%0.689SS**  000-138.24.9000110
615N30.6Very low30.9Very low111 Ų111127.5 Ų127.559%0.59469%0.686SS**  000-1150.7000111.9
616N33.1Very low31.1Very low134 Ų134130.4 Ų130.472%0.71769%0.692SS**  0121.70-88.4-7.1000109.6
617N32.1Very low31.3Very low136 Ų136129.7 Ų129.773%0.72770%0.696SS**  83120.1102.3-92.3-8.5000110.5
618N33.8Very low31.5Very low131 Ų131132 Ų13270%0.70171%0.712SS**  146.6108.9119.3-92.7-10.4000109.7
619D34.5Very low31.6Very low118 Ų118133.8 Ų133.863%0.63172%0.718SS**  105.3111.4102.3-80-19.4000109.6
620N34.4Very low31.7Very low127 Ų127134.8 Ų134.868%0.67972%0.723SS**  119.1109.6107.6-87-10.5000110
621N35.5Very low31.7Very low123 Ų123136.2 Ų136.266%0.65873%0.725SS**  110.8112.4104.6-89.9-6.4000110.1
622N34.6Very low31.7Very low122 Ų122136.8 Ų136.865%0.65272%0.716SS**  109.4112.3101.3-84.8-9.6000110.2
623N33Very low31.6Very low129 Ų129137.6 Ų137.669%0.6971%0.708SS**  113.8110.4102.7-87-10.5000110.2
624I32.4Very low31.8Very low135 Ų135136 Ų13669%0.69271%0.705SS**  130.2109.1106.5-68.5174.5000108.3
625T29.1Very low31.8Very low107 Ų107134.4 Ų134.466%0.65670%0.702SS**  98.1109.694.733.70000109.6
626Q31.6Very low31.7Very low167 Ų167138.4 Ų138.478%0.7871%0.71SS**  132.1104.9109.6-90.4-172.9-8.400109.7
627N29.9Very low31.3Very low145 Ų145138.9 Ų138.978%0.77571%0.712SS**  103100.7101.7-100.5-1.6000110.3
628S30.5Very low31.2Very low102 Ų102139.5 Ų139.571%0.71372%0.715SS**  131.296.3107.751.40000109.6
629N32Very low30.8Very low143 Ų143135.9 Ų135.977%0.76570%0.7SS**  112.692.8111.1-86.4-13.7000110.1
630Q29.7Very low30.4Very low166 Ų166137.8 Ų137.878%0.77671%0.709SS**  87092.4-94.8-178-1400110.3
631Y26.8Very low30.2Very low217 Ų217137.8 Ų137.885%0.85171%0.708SS**  0116.80-94.8-84.9000111.4
632Y30.2Very low29.8Very low176 Ų176137.4 Ų137.469%0.6971%0.713SS**  -154.40128.1-104.7-85000109.3
633K28.1Very low29.4Very low152 Ų152138.8 Ų138.866%0.66172%0.715SS**  000-106-178.9-176.7-179.60110.4
634A34.9Very low29Very low85 Ų85138.5 Ų138.570%0.70272%0.722SS**  0158.3000000111.6
635P30.6Very low28.7Very low96 Ų96142.4 Ų142.462%0.62374%0.735SS**  179.8135.885.335-6.4000112.1
636Y28.4Very low28.6Very low195 Ų195140 Ų14077%0.76573%0.73SS**  132.7101.9109.7-95-85.2000109.5
637L26.3Very low28.3Very low145 Ų145137.9 Ų137.976%0.75973%0.731SS**  5.7109.4105.9-109.7121.7000111.4
638N28.8Very low28.1Very low149 Ų149141 Ų14180%0.79773%0.734SS**  trans-135.7102133.1-86.4-8.2000110.1
639S25Very low27.7Very low55 Ų55141.5 Ų141.539%0.38574%0.736SS.*  42.3104.997.585.40000111.3
640I27.5Very low27.4Very low158 Ų158142.4 Ų142.481%0.8174%0.736SS**  -170.40126.6-65.1170.3000107.9
641N28.8Very low27.2Very low126 Ų126140.8 Ų140.867%0.67474%0.737SS**  0145.20-132.4-8000111.8Q643N641-Q643 PolarHBondContact OD1-N 2.94Å; N641-Q643 VanDerWaalsContact OD1-N 3.16Å
642P27.7Very low27Very low116 Ų116137 Ų13775%0.75373%0.73SS**  -150.6098.833.2-4.6000111.7
643Q25.8Very low26.9Very low151 Ų151134.4 Ų134.471%0.70674%0.735SS**  0114.80-88.7-1742.900111.5N641N641-Q643 PolarHBondContact OD1-N 2.94Å; N641-Q643 VanDerWaalsContact OD1-N 3.16Å
644C24.9Very low26.7Very low123 Ų123135.8 Ų135.883%0.83174%0.742SS**  174.30122.4-94.30000108.8
645F26.2Very low26.5Very low217 Ų217139.6 Ų139.695%0.95275%0.748SS**  0106.10-91.2-82.9000111.2
646G26.3Very low26.2Very low55 Ų55141.4 Ų141.457%0.56775%0.753SS**  -175141.9129.900000110.3
647P26.3Very low26.2Very low124 Ų124139.8 Ų139.881%0.80575%0.752SS**  trans-49.598.9-174.134.1-5.1000111.8
648Y25.8Very low26.2Very low209 Ų209140.3 Ų140.382%0.8275%0.751SS**  trans-103.50174.7-98.2-85000109.6
649C21.8Very low26.2Very low113 Ų113141.8 Ų141.876%0.76475%0.753SS**  096.10-77.50000111.1
650E26.1Very low26.2Very low162 Ų162147.6 Ų147.676%0.75777%0.774SS**  trans-132.2108.3159.7-133174.4-177.900109.7
651T25.2Very low26.1Very low132 Ų132147.7 Ų147.781%0.8178%0.775SS**  49.498.2100.127.10000110.6
652I23.2Very low25.9Very low137 Ų137150 Ų15070%0.70378%0.781SS**  trans-38.60147.6-56.9174.2000109.7F654I652-F654 HydrophobicContact CG2-CD2 4.04Å; I652-F654 HydrophobicContact CG2-CE2 4.37Å
653P27.9Very low25.9Very low123 Ų123151.7 Ų151.780%0.79978%0.782SS**  00026.1-2.1000111.6
654F23.3Very low25.8Very low181 Ų181151.4 Ų151.479%0.79479%0.786SS**  0102.60-94.4-84.3000110.7I652I652-F654 HydrophobicContact CG2-CD2 4.04Å; I652-F654 HydrophobicContact CG2-CE2 4.37Å
655I29.8Very low25.8Very low164 Ų164157 Ų15784%0.84179%0.79SS**  trans-132.70145.7-69.6171.1000108.1
656N25.9Very low25.7Very low135 Ų135154.9 Ų154.972%0.72278%0.783SS**  0106.90-100.2-8.5000111.8
657Q27.4Very low25.7Very low161 Ų161157.4 Ų157.475%0.75279%0.787SS**  147.2107.6118.4-96-176.4-5.800109.7
658Q26.2Very low25.6Very low156 Ų156159 Ų15973%0.72979%0.789SS**  95.8109.596.1-93.1-173.7-10.200110.4
659Q29Very low25.6Very low180 Ų180153.8 Ų153.884%0.84178%0.783SS**  143.8103108.9-96180-0.700109.6
660Q24.7Very low25.6Very low176 Ų176157.8 Ų157.882%0.82279%0.79SS**  2.5106.4116.5-98.5-176.6-4.200111.8
661I26.7Very low25.6Very low161 Ų161157.8 Ų157.883%0.82679%0.79SS**  trans-134.597.2137.6-64.4171.4000108.2I663I661-I663 HydrophobicContact CG2-CD1 4.48Å; I661-I663 HydrophobicContact CG2-CG1 4.12Å
662Q24Very low25.4Very low173 Ų173158.8 Ų158.881%0.80879%0.79SS**  trans-56.4101.5141.2-128.9179.4-8.400111.4
663I26.7Very low25.6Very low153 Ų153158.2 Ų158.279%0.78579%0.787SS**  trans-111.3107.2148.2-59.2174.5000108.6I661I661-I663 HydrophobicContact CG2-CD1 4.48Å; I661-I663 HydrophobicContact CG2-CG1 4.12Å
664N25.4Very low25.3Very low145 Ų145157.4 Ų157.478%0.77578%0.783SS**  38.7110.5105.9-115.6-3.8000111.7
665W23.8Very low25.4Very low240 Ų240158.2 Ų158.291%0.90978%0.782SS**  trans-23.2117.9141.8-72.587.6000111.4
666Q24.9Very low25.3Very low173 Ų173155.6 Ų155.681%0.80878%0.776SS**  trans-154.4113.4150.3-105.1-178.8-2800109.6
667T25.4Very low25.2Very low107 Ų107156.9 Ų156.966%0.65678%0.781SS**  74.8108.2100.552.60000110.4
668N24.6Very low25.2Very low158 Ų158157.6 Ų157.685%0.84579%0.786SS**  73.889.9125.1-92.3-9.8000111.2
669S25.3Very low25.4Very low99 Ų99156.5 Ų156.569%0.69279%0.786SS**  trans163.794.1143.153.10000109.3Q671S669-Q671 PolarHBondContact O-N 3.43Å; S669-Q671 VanDerWaalsContact O-N 3.08Å
670Q23.2Very low25.4Very low198 Ų198158 Ų15893%0.92579%0.789SS**  trans33.982.8136.1-76.9-176.8-5.200111.3
671Q25.1Very low25.5Very low162 Ų162153.2 Ų153.276%0.75778%0.775SS**  trans-142.888.2158.3-90.2-175.7-0.600109.5S669 I673S669-Q671 PolarHBondContact O-N 3.43Å; S669-Q671 VanDerWaalsContact O-N 3.08Å; Q671-I673 PolarHBondContact O-N 3.42Å
672L22.3Very low25.7Very low153 Ų153154.7 Ų154.780%0.80178%0.779SS**  3.486.6129.4-136.698.6000111.4
673I25.4Very low25.7Very low125 Ų125153.6 Ų153.664%0.64178%0.776SS**  trans-118.40159.4-64.1173.6000108.3Q671 Y675Q671-I673 PolarHBondContact O-N 3.42Å; I673-Y675 HydrophobicContact CG2-CD2 4.5Å; I673-Y675 HydrophobicContact CG2-CE2 4.05Å
674C22.7Very low25.6Very low105 Ų105153.3 Ų153.371%0.70977%0.769SS**  0100.90-72.20000111.3
675Y25.8Very low25.7Very low199 Ų199152.1 Ų152.178%0.7877%0.767SS**  trans-93.9118.8157.2-75.6-82.6000110I673 I677I673-Y675 HydrophobicContact CG2-CD2 4.5Å; I673-Y675 HydrophobicContact CG2-CE2 4.05Å; Y675-I677 PolarHBondContact O-N 2.98Å
676P26.8Very low25.8Very low109 Ų109148 Ų14871%0.70876%0.763SS**  trans-52.8105.1-169.624.7-6.3000111.8M678P676-M678 VanDerWaalsContact C-N 3.32Å; P676-M678 PolarHBondContact O-N 2.59Å
677I25.1Very low25.8Very low162 Ų162145 Ų14583%0.83176%0.76SS**  trans-34.985.2140.2-59.7172.6000110.1Y675Y675-I677 PolarHBondContact O-N 2.98Å
678M27.6Very low25.8Very low175 Ų175144.4 Ų144.486%0.86276%0.76SS**  trans-87.392.7167.7-80-131.7-77.600109.9P676P676-M678 VanDerWaalsContact C-N 3.32Å; P676-M678 PolarHBondContact O-N 2.59Å
679N29.8Very low26.1Very low134 Ų134144.8 Ų144.872%0.71776%0.757SS**  trans-43.787.9145.5-137.6-9.1000111.9S681N679-S681 PolarHBondContact O-N 3Å
680K28.6Very low26.1Very low211 Ų211145.3 Ų145.392%0.91776%0.756SS**  trans-69.464.5164.9-95-177.3-177.4179.60110.9
681S26Very low26.4Very low76 Ų76141.6 Ų141.653%0.53174%0.742SS.*  trans-149.40157.846.50000109.3N679N679-S681 PolarHBondContact O-N 3Å
682Q31.6Very low26.5Very low192 Ų192141.2 Ų141.290%0.89774%0.737SS**  000-1051789.500109.5
683M23.5Very low26.9Very low150 Ų150140.8 Ų140.874%0.73973%0.731SS**  000-98-167.3121.300111
684F24.5Very low26.9Very low147 Ų147140.3 Ų140.365%0.64573%0.734SS**  0121.90-90.3-80.5000109.3
685T28.6Very low27.1Very low120 Ų120139.6 Ų139.674%0.73673%0.731SS**  140.70109.843.40000109
686N24.6Very low27.3Very low154 Ų154137.7 Ų137.782%0.82473%0.733SS**  01180-113-3.9000110.6
687C25.1Very low27.3Very low109 Ų109142.3 Ų142.374%0.73674%0.738SS**  146.70117.5-98.50000109
688S25.9Very low27.5Very low94 Ų94139.2 Ų139.266%0.65773%0.73SS**  0123.9047.40000110.2
689Q29.9Very low27.7Very low167 Ų167137.4 Ų137.478%0.7872%0.724SS**  1440110.2-97175.91.800109.5
690T27.3Very low27.8Very low110 Ų110137.1 Ų137.168%0.67572%0.721SS**  00038.80000109.6
691L27.7Very low27.9Very low120 Ų120133.3 Ų133.363%0.62871%0.711SS**  000-121.5124.3000109.4
692F28Very low28.1Very low153 Ų153136.3 Ų136.367%0.67172%0.721SS**  000-93.6-82.7000109.2
693H30.1Very low28Very low144 Ų144131.4 Ų131.467%0.66771%0.708SS**  000-102.6-85.7000109.8
694T25.8Very low28.4Very low115 Ų115132.4 Ų132.471%0.70671%0.711SS**  0125.90410000110.8
695S27.2Very low28.6Very low91 Ų91131.4 Ų131.464%0.63672%0.717SS**  134.7114.7106.558.90000109.6
696L29.2Very low28.6Very low158 Ų158134.3 Ų134.383%0.82772%0.722SS**  173.90118.5-89.4159000109.2
697Y26.7Very low28.6Very low207 Ų207135.3 Ų135.381%0.81272%0.724SS**  0118.50-96.3-83.6000110.7
698S30.9Very low28.8Very low96 Ų96138.2 Ų138.267%0.67173%0.731SS**  140.6112.8103.659.30000109.7
699N30Very low28.8Very low137 Ų137142 Ų14273%0.73374%0.744SS**  106110.599.1-106.1-7.8000110.3
700I32.2Very low28.6Very low129 Ų129137.6 Ų137.666%0.66274%0.737SS**  122.7110.8102.8-66.5173.3000108.2
701N30.6Very low28.6Very low131 Ų131139.6 Ų139.670%0.70174%0.743SS**  89.9120.494.9-102.5-2.5000110.4
702N31.3Very low28.7Very low138 Ų138141 Ų14174%0.73875%0.75SS**  137.9106.4112.3-95.1-4.6000109.8
703S29.6Very low28.6Very low89 Ų89139.5 Ų139.562%0.62275%0.753SS**  82.8110.899.759.80000110.3
704E31Very low28.5Very low171 Ų171137.8 Ų137.880%0.79975%0.754SS**  123.6103.7114.5-95.2-176.4175.200109.7
705T28.5Very low28.5Very low126 Ų126138 Ų13877%0.77376%0.759SS**  53.2101.6111.7280000110.4
706Q29.2Very low28.5Very low181 Ų181140.1 Ų140.185%0.84676%0.764SS**  trans169.6101.1142.2-100.3-178.79.500109.2
707M25.3Very low28.5Very low175 Ų175140 Ų14086%0.86276%0.764SS**  85.686.1116.4-93.4-167.171.400109.9
708L29.4Very low28.6Very low171 Ų171136.6 Ų136.690%0.89576%0.759SS**  trans-15380.1150-92.5148.2000109.1
709N25.5Very low28.4Very low173 Ų173142.5 Ų142.593%0.92577%0.767SS**  trans-38.286.8136.8-89.8-8.7000111.9
710A25.9Very low28.3Very low75 Ų75146.6 Ų146.662%0.6277%0.772SS**  trans-174.686.5159.900000108.9
711D27.2Very low28Very low151 Ų151146.2 Ų146.281%0.80778%0.78SS**  trans-143.193.4159.6-83.6-17.9000109.6
712I29Very low27.9Very low151 Ų151144.2 Ų144.277%0.77478%0.782SS**  108.50105.7-63.1174.4000108.6
713V26Very low27.6Very low121 Ų121143 Ų14373%0.73379%0.785SS**  000-178.10000110.2C715V713-C715 PolarHBondContact O-N 3Å
714P27.6Very low27.7Very low108 Ų108148.9 Ų148.970%0.70180%0.799SS**  094.1020.11.7000111.7N716P714-N716 PolarHBondContact O-N 3.03Å
715C26.1Very low27.6Very low120 Ų120143.6 Ų143.681%0.81179%0.791SS**  trans-350161.4-79.90000111V713V713-C715 PolarHBondContact O-N 3Å
716N27.5Very low27.7Very low135 Ų135145.9 Ų145.972%0.72280%0.799SS**  091.80-84.6-10.1000111.6P714 L718P714-N716 PolarHBondContact O-N 3.03Å; N716-L718 VanDerWaalsContact C-N 3.3Å
717N29.6Very low27.6Very low156 Ų156145.7 Ų145.783%0.83480%0.798SS**  trans-70.10156.6-71.7-20.2000111
718L27.7Very low28.1Very low135 Ų135143.1 Ų143.171%0.70779%0.792SS**  000-118.8115.6000111.4N716 R720N716-L718 VanDerWaalsContact C-N 3.3Å; L718-R720 HydrophobicContact CD2-CG 4.13Å
719W28.2Very low28.3Very low220 Ų220142.9 Ų142.983%0.83379%0.786SS**  000-79.967.3000109.8
720R27.4Very low28.5Very low222 Ų222141.3 Ų141.384%0.83878%0.777SS**  093.90-108.4-175.4-165.2-139.50.1111.7L718L718-R720 HydrophobicContact CD2-CG 4.13Å
721S25.4Very low28.8Very low121 Ų121145 Ų14585%0.84679%0.786SS**  -3594.4125.84.40000111.7
722A29Very low28.9Very low90 Ų90146.6 Ų146.674%0.74479%0.789SS**  trans-71.198.4158.600000110.4
723S25.3Very low29.1Very low113 Ų113144.1 Ų144.179%0.7978%0.782SS**  trans-61.6112.8137.9120.60000111.1
724F31.3Very low29.4Very low211 Ų211146.3 Ų146.393%0.92579%0.788SS**  trans-103.20147.7-91.8-81000109.8
725G27.9Very low29.5Very low61 Ų61148 Ų14863%0.62979%0.791SS**  0117000000112.3
726N31.4Very low29.8Very low174 Ų174149.3 Ų149.393%0.9379%0.79SS**  -178105.8115.9-116-1.3000109.8
727E28Very low29.9Very low176 Ų176151 Ų15182%0.82279%0.794SS**  trans-25.6118.1134.8-70-157170.300111.6
728T34.9Very low29.8Very low122 Ų122151.2 Ų151.275%0.74879%0.788SS**  171.8115.111928.90000109
729E33.4Very low29.7Very low165 Ų165152.4 Ų152.477%0.77179%0.789SS**  114.7110.9102.6-95.6-175.3177.800109.8
730L29.3Very low29.6Very low140 Ų140147.7 Ų147.773%0.73379%0.785SS**  89099.8-105.6136.6000109.8
731L32.1Very low29.5Very low152 Ų152144.5 Ų144.580%0.79678%0.784SS**  0102.60-88.4152.6000109.3
732Q31Very low29.6Very low186 Ų186147.1 Ų147.187%0.86979%0.787SS**  42.50120.4-106.1-179.11.300111.2
733P32.2Very low29.6Very low98 Ų98147.3 Ų147.364%0.63678%0.781SS**  00034.5-5.2000112
734I33Very low29.7Very low167 Ų167152 Ų15286%0.85678%0.783SS**  000-63.9173.4000108
735N29.8Very low29.6Very low143 Ų143147.1 Ų147.177%0.76578%0.775SS**  0114.60-83.4-9.6000111.2
736N32.3Very low29.5Very low149 Ų149152.5 Ų152.580%0.79779%0.785SS**  154.60128-81.9-9.2000109.6
737E28.7Very low29.2Very low170 Ų170151.4 Ų151.479%0.79479%0.786SS**  000-96.1-175.1177.200110.7
738F27.2Very low29.4Very low161 Ų161149 Ų14971%0.70678%0.783SS**  000-103.3-83.2000109.3
739Q25.1Very low29.1Very low159 Ų159149 Ų14974%0.74379%0.785SS**  0102.20-101179.45.600110.5
740T26.7Very low28.9Very low121 Ų121150.7 Ų150.774%0.74279%0.79SS**  trans155.3112.7137.545.90000108.9
741N26.7Very low28.9Very low155 Ų155151.6 Ų151.683%0.82980%0.795SS**  91.493.9118.6-81.3-14.4000110.7
742I27Very low28.9Very low176 Ų176149.5 Ų149.590%0.90379%0.79SS**  trans-850160.5-58.6171.8000108.7
743P29.1Very low28.7Very low94 Ų94144.7 Ų144.761%0.6178%0.777SS**  00034.5-5.9000111.8
744Y27.5Very low28.6Very low213 Ų213151.5 Ų151.584%0.83579%0.792SS**  0120.20-81.2-79.5000109.5
745S27.8Very low28.4Very low108 Ų108150.9 Ų150.976%0.75579%0.786SS**  trans173.3112.1130.881.90000109.4
746M27.1Very low28.5Very low173 Ų173153.1 Ų153.185%0.85279%0.791SS**  110.1094.1-85.4-125.5-100.900109.7
747T25.4Very low28.1Very low152 Ų152151.7 Ų151.793%0.93378%0.783SS**  096.2034.90000109.6
748T30.3Very low28.2Very low125 Ų125151.7 Ų151.777%0.76779%0.787SS**  trans-101.90152.533.70000109.8
749P29.6Very low28.1Very low122 Ų122151.1 Ų151.179%0.79279%0.787SS**  0123.6033.5-4.8000111.8
750F29.6Very low28.3Very low201 Ų201149.6 Ų149.688%0.88279%0.792SS**  trans-93.8106.3169.2-94.4-80.7000109.7
751L27.9Very low28.2Very low158 Ų158151.7 Ų151.783%0.82779%0.793SS**  trans-75142.5138.8-120.996.3000110.9
752P32.5Very low28.4Very low108 Ų108151.1 Ų151.170%0.70179%0.79SS**  trans-121120.2141.126.8-0.8000111.7
753S26.7Very low28.4Very low85 Ų85150.3 Ų150.359%0.59478%0.783SS**  -10.3119.5122.666.80000112
754Y31.7Very low28.4Very low242 Ų242155 Ų15595%0.94979%0.79SS**  trans-124.8106.5130.7-86.1-81000109.4
755Q28.2Very low28.5Very low154 Ų154150.4 Ų150.472%0.7279%0.789SS**  trans-22.7123.6130.2-92.5-179.8-17.700112
756H31.4Very low28.6Very low190 Ų190151.1 Ų151.188%0.8878%0.784SS**  -163.7120.5121-103.7-78.9000109.2
757L24.8Very low28.9Very low119 Ų119150 Ų15062%0.62379%0.787SS**  -7.6120.4119.8-111.5127.4000111.6
758L30.4Very low29.2Very low170 Ų170149 Ų14989%0.8978%0.781SS**  -165.2108.3125.3-102126.8000109
759Q25.1Very low29.4Very low149 Ų149147.7 Ų147.770%0.69678%0.783SS**  5.5112114.1-130.9167.5-0.700111.6
760C28.2Very low29.9Very low127 Ų127147.2 Ų147.286%0.85878%0.779SS**  trans-160.6110.5132.5-79.50000109
761H26.5Very low30.2Very low164 Ų164143.6 Ų143.676%0.75978%0.776SS**  35.3107.7106.7-111.67.8000111.4
762N29.9Very low30.8Very low144 Ų144139.3 Ų139.377%0.7776%0.758SS**  -179.7105.1127.5-86.8-15.8000109.6
763Q27.4Very low31Very low158 Ų158138.1 Ų138.174%0.73875%0.75SS**  61.2104.5100.2-97.7-179.3-13.100111
764Y27.9Very low31.4Very low194 Ų194138.1 Ų138.176%0.76175%0.748SS**  78.3132.9106.6-85.3-82000110.1
765S30.6Very low31.8Very low116 Ų116131.2 Ų131.281%0.81173%0.733SS**  165109.1106.8-84.50000109.1
766N28.6Very low32.1Very low122 Ų122128.9 Ų128.965%0.65273%0.731SS**  45.2114.5101.2-84.4-5.1000111.4
767T33.4Very low32.2Very low150 Ų150125.2 Ų125.292%0.9272%0.724SS**  -175.3103.912719.30000108.9
768T32.5Very low32.6Very low131 Ų131130 Ų13080%0.80474%0.735SS**  -6116125.6-23.60000111.5
769A34.8Very low32.7Very low98 Ų98127.2 Ų127.281%0.8173%0.727SS**  trans-127.1136.8137.900000109.8
770P40.5Very low32.9Very low111 Ų111129.4 Ų129.472%0.72174%0.735SS**PPolyproline II helixtrans-81.90-155.229.5-2.4000111.8
771P36Very low33Very low125 Ų125129.2 Ų129.281%0.81273%0.725SS**PPolyproline II helix00026.8-6.9000112
772P38.8Very low33.1Very low69 Ų69128.4 Ų128.445%0.44872%0.721SS.*PPolyproline II helix00027.5-8.7000112.1K606 S607K606-P772 HydrophobicContact CB-CG 4.42Å; K606-P772 WeakPolarHBondContact O-CB 2.48Å; S607-P772 PolarHBondContact OG-O 2.89Å
773P37.9Very low32.9Very low82 Ų82131.9 Ų131.953%0.53272%0.724SS.*PPolyproline II helix00030.6-4.2000112K606 S607K606-P773 WeakPolarHBondContact O-CD 3.29Å; S607-P773 CarbonylContact C-O 3.52Å; S607-P773 CarbonylContact O-C 3.49Å
774P34.6Very low32.9Very low85 Ų85131.1 Ų131.155%0.55272%0.724SS**PPolyproline II helix00022.5-5.9000112.2S607 H609S607-P774 WeakPolarHBondContact O-CA 1.84Å; H609-P774 HydrophobicContact CB-CB 3.97Å; H609-P774 HydrophobicContact CB-CG 4.48Å
775P40.5Very low32.8Very low98 Ų98127.6 Ų127.664%0.63672%0.723SS**PPolyproline II helix00018.6-10.4000112
776P34.9Very low32.8Very low104 Ų104129.9 Ų129.968%0.67573%0.726SS**PPolyproline II helix00026.6-4.2000112
777P33.4Very low32.9Very low113 Ų113129.7 Ų129.773%0.73473%0.731SS**PPolyproline II helix00029.6-2000111.7
778Y31.9Very low32.5Very low220 Ų220128.3 Ų128.386%0.86373%0.726SS**  0154.50-87.4-84.3000109.6
779P34.1Very low32.2Very low111 Ų111127.5 Ų127.572%0.72173%0.726SS**  -131.60-52.226.2-0.3000111.9
780K28.1Very low32.1Very low195 Ų195127.9 Ų127.985%0.84873%0.729SS**  0112.40-83.7-177-176.6177.40111
781D30.3Very low31.6Very low123 Ų123127.7 Ų127.766%0.65873%0.731SS**  trans173.6118.7140.9-81.2-19.9000109.2
782H29.4Very low31.5Very low147 Ų147132.3 Ų132.368%0.68174%0.738SS**  132.999.2103.3-76.7-50.6000109.5
783R25Very low31.2Very low218 Ų218137.6 Ų137.682%0.82376%0.757SS**  73110112.1-93.1-169.6-179.3-1780.3110.5
784L27Very low31.1Very low141 Ų141141.9 Ų141.974%0.73877%0.773SS**  136.6103.7119.7-87.3152.3000109.4
785T26.6Very low31Very low121 Ų121146.3 Ų146.374%0.74278%0.784SS**  100103.6112.725.70000109.8
786N31.2Very low30.6Very low163 Ų163150.4 Ų150.487%0.87279%0.788SS**  trans5.30145.7-109.1-6000112.1
787P29.2Very low30.6Very low118 Ų118153.8 Ų153.877%0.76679%0.794SS**  00033.7-5.2000111.9
788C25Very low30.3Very low121 Ų121157.1 Ų157.182%0.81881%0.805SS**  0112.50-90.60000111.1
789S27.4Very low30.3Very low114 Ų114149.7 Ų149.780%0.79780%0.796SS**  116.8114.3122-9.80000109.6
790A32.7Very low30.2Very low106 Ų106152.4 Ų152.488%0.87680%0.799SS**  trans-137.10144.400000109.6
791S29.1Very low30.2Very low108 Ų108151.5 Ų151.576%0.75580%0.795SS**  0115.7087.20000111.7
792K34.3Very low30.1Very low221 Ų221149 Ų14996%0.96180%0.799SS**  trans-82.30140.3-96.5-178.9-176.1-179.10110.9
793Q32.8Very low30.4Very low180 Ų180152.1 Ų152.184%0.84181%0.81SS**  0110.10-91.3-169.97.700111.7
794I35.2Very low31.1Very low173 Ų173146.8 Ų146.889%0.88780%0.804SS**  trans-144.50130.1-66.3173.3000108.1
795K33.9Very low31.6Very low178 Ų178146.5 Ų146.577%0.77480%0.803SS**  000-114.8177.4-176.6179.10111.3
796Y30.3Very low31.8Very low183 Ų183146.8 Ų146.872%0.71880%0.796SS**  0123.20-90.3-83.1000109.8
797H34.8Very low31.9Very low175 Ų175146.8 Ų146.881%0.8179%0.785SS**  149.1104.2102.7-94.8-69.9000109.5
798L28Very low32.1Very low183 Ų183146.5 Ų146.596%0.95878%0.776SS**  -7.1119.9117.1-123.897.9000111.6
799G32.4Very low32.3Very low65 Ų65146.3 Ų146.367%0.6777%0.766SS**  170.8012500000110
800E30.7Very low32.4Very low167 Ų167151.9 Ų151.978%0.7877%0.77SS**  0119.80-100.4-172.9176.900110.7
801F29.3Very low32.7Very low177 Ų177152.2 Ų152.278%0.77676%0.763SS**  115.80108.8-97.7-82.9000109.3
802G28.5Very low33Very low71 Ų71152.7 Ų152.773%0.73276%0.763SS**  0109.4000000110.5
803K35.1Very low32.7Very low212 Ų212146.8 Ų146.892%0.92275%0.75SS**  136.80111.6-82.7-175.6-177.6179.60109.6
804P40Very low32.5Very low106 Ų106146.8 Ų146.869%0.68875%0.747SS**  0139.5034.3-5.2000112
805D36.2Very low32.3Very low134 Ų134144.7 Ų144.772%0.71774%0.737SS**  trans-176.10148.1-84.2-16.6000109.4
806E31.9Very low32.1Very low128 Ų128142.6 Ų142.660%0.59873%0.733SS**  0114.40-112.1179.8-17900110.6
807Y33.8Very low31.9Very low163 Ų163141.6 Ų141.664%0.63974%0.737SS**  134.40102-92.3-82.4000109.4
808L31.7Very low31.8Very low112 Ų112142.4 Ų142.459%0.58674%0.739SS**  0109.60-109.7127000109.8
809I30Very low31.9Very low117 Ų117139.9 Ų139.960%0.673%0.726SS**  104.4106.892.3-62177.5000108.8
810R28.8Very low31.7Very low231 Ų231143.6 Ų143.687%0.87273%0.73SS**  118.612897.6-140.7175.8-149.1-167.8-1.4109.6
811P38.9Very low31.7Very low113 Ų113142.6 Ų142.673%0.73474%0.736SS**  trans-96151.3154.733.4-4.8000111.8
812P36.1Very low31.8Very low117 Ų117137.5 Ų137.576%0.7673%0.733SS**  trans-144.90143.233.2-4.8000112.1
813S28.3Very low31.8Very low98 Ų98144 Ų14469%0.68574%0.741SS**  0121.407.50000111.6
814K29.6Very low31.7Very low179 Ų179141.9 Ų141.978%0.77873%0.734SS**  126113.4116.3-92.5-174.7-175.3-179.70109.6
815L29.5Very low31.4Very low130 Ų130143.8 Ų143.868%0.68173%0.734SS**  122.7108.1109-92.9159.3000109.5
816L29.7Very low31.1Very low133 Ų133143.9 Ų143.970%0.69673%0.734SS**  112.1111.9105.5-96.6150.7000109.8
817M27.4Very low31.1Very low163 Ų163144.5 Ų144.580%0.80375%0.747SS**  64.9111.8105.5-94.6-150.2121.200110.5
818K31.3Very low30.9Very low192 Ų192146.1 Ų146.184%0.83576%0.758SS**  158108.8125.7-128.1173.7-179.6175.80109.4
819N31Very low30.8Very low130 Ų130149 Ų14970%0.69577%0.77SS**  68.9118.5106.4-83.1-7.1000111
820N28.6Very low30.6Very low142 Ų142149.6 Ų149.676%0.75977%0.773SS**  76120.3112.5-82-10.4000110.8
821V29.7Very low30.6Very low147 Ų147144.6 Ų144.689%0.89176%0.762SS**  136.70117.7177.80000108
822G31.8Very low30.2Very low70 Ų70146 Ų14672%0.72276%0.764SS**  00000000110.4
823K28.5Very low29.7Very low206 Ų206149.6 Ų149.690%0.89677%0.768SS**  000-89.3-174.9-178179.20111.1
824E32.4Very low29.8Very low168 Ų168151 Ų15179%0.78577%0.768SS**  000-113.3-179177.300109.5
825Q34.6Very low29.9Very low147 Ų147151.5 Ų151.569%0.68777%0.77SS**  0113.80-89.6-171.9-6.100109.5
826N30Very low29.9Very low135 Ų135154.8 Ų154.872%0.72278%0.779SS**  93115.396.5-87.5-10.6000110.5
827T32.2Very low30Very low142 Ų142155.4 Ų155.487%0.87179%0.789SS**  153.5106.5104.1-7.90000108.9
828K28.7Very low30.2Very low196 Ų196151.4 Ų151.485%0.85279%0.789SS**  -13.1124.1108.7-98.3-178.6-176.8178.90111.8
829M29Very low30.1Very low173 Ų173147 Ų14785%0.85279%0.788SS**  158.70118-140.7-171.8-83.300109.2
830I27.3Very low30.2Very low129 Ų129149.3 Ų149.366%0.66279%0.792SS**  0121.60-63.8178000109.6
831I27.5Very low30.3Very low126 Ų126152.5 Ų152.565%0.64679%0.793SS**  95.5125.6103.1-62.2176000108.8
832N31.3Very low30.6Very low143 Ų143150.5 Ų150.577%0.76578%0.781SS**  145.20120.2-92.7-10.4000109.9
833F26.3Very low30.6Very low192 Ų192153.4 Ų153.484%0.84278%0.78SS**  0118.40-98.6-82.5000111
834N29.2Very low30.9Very low129 Ų129149.7 Ų149.769%0.6977%0.77SS**  141.4115.3122.9-90.1-13.8000109.8
835K31.2Very low31Very low189 Ų189151.5 Ų151.582%0.82277%0.77SS**  105.4107110.2-118179.3-179177.80109.9
836K29.5Very low30.8Very low198 Ų198152.4 Ų152.486%0.86177%0.771SS**  39.2107.6116.3-96.6-176.6-177.6179.90111.1
837T33Very low31Very low147 Ų147153.5 Ų153.590%0.90278%0.777SS**  trans179.3103.4141.240.70000108.8
838G31.3Very low31Very low79 Ų79154.2 Ų154.281%0.81476%0.764SS**  121.30112.500000110.2
839A30.3Very low31.2Very low98 Ų98154.2 Ų154.281%0.8176%0.759SS**  0118.2000000111.3
840K33.1Very low31.4Very low180 Ų180156.3 Ų156.378%0.78376%0.757SS**  158.50128-96.2-173.8-177.4178.70109.3
841R30.5Very low31.7Very low209 Ų209159 Ų15979%0.78976%0.764SS**  000-96.6-171-179155.50.5110.2
842V34.4Very low31.7Very low105 Ų105160.8 Ų160.864%0.63677%0.769SS**  0116.80178.10000108.4
843D32.8Very low31.7Very low131 Ų131163.8 Ų163.870%0.70178%0.776SS**  92.1124.797.9-91.9-16.2000110
844N35.1Very low31.7Very low127 Ų127161.9 Ų161.968%0.67977%0.769SS**  157.6107.8116.2-85.6-15000109.7
845R33.3Very low31.7Very low207 Ų207164.5 Ų164.578%0.78178%0.777SS**  118.30104.2-101.1-175.7-163.4-179.70.9109.7
846K32Very low31.4Very low165 Ų165163.1 Ų163.172%0.71778%0.778SS**  0110.10-100.6-177.2-176.21790110.1
847L33.9Very low31.2Very low159 Ų159157.7 Ų157.783%0.83277%0.77SS**  1610117.2-118.6121.1000109.3
848Y32.5Very low30.8Very low156 Ų156159.3 Ų159.361%0.61277%0.77SS**  0114.90-105.6-87.5000110
849R31.1Very low30.6Very low197 Ų197160.2 Ų160.274%0.74376%0.759SS**  99.9114.197-99.5-169.5-176.2174.81.3109.8
850R34.3Very low30.3Very low216 Ų216163 Ų16382%0.81576%0.76SS**  155.4106.3113.9-95.1-176.2-177.2168.71109.3
851K32.9Very low30Very low186 Ų186160.4 Ų160.481%0.80976%0.755SS**  97.7107.596.2-94.5-171.9-177-179.10110
852H27.5Very low29.6Very low163 Ų163158.7 Ų158.776%0.75576%0.755SS**  46.4104.9104.2-102.7-74.9000111
853K31.5Very low29.2Very low206 Ų206161.1 Ų161.190%0.89676%0.764SS**  trans-161.20135.1-113.3179.6-178.1178.80109.5
854E26.4Very low28.8Very low152 Ų152160 Ų16071%0.7176%0.762SS**  0940-83.7-177.3177.500111.4
855H29.4Very low28.3Very low185 Ų185160.7 Ų160.786%0.85677%0.765SS**  trans-148.70132.6-90.9-76.2000109.6
856L24.5Very low27.9Very low159 Ų159157.7 Ų157.783%0.83276%0.764SS**  088.40-107.2125.6000111.3
857A26.5Very low27.6Very low84 Ų84157.6 Ų157.669%0.69477%0.766SS**  trans-141.50131.700000109.6V859A857-V859 VanDerWaalsContact C-N 3.3Å; A857-V859 HydrophobicContact CB-CG2 3.89Å
858M23.7Very low27.2Very low182 Ų182159.8 Ų159.890%0.89777%0.765SS**  000-102-170.3164.800111.5
859V27.4Very low27Very low97 Ų97159 Ų15959%0.58878%0.776SS**  000177.40000108.7A857 N861A857-V859 VanDerWaalsContact C-N 3.3Å; A857-V859 HydrophobicContact CB-CG2 3.89Å; V859-N861 VanDerWaalsContact C-N 3.29Å; V859-N861 HydrophobicContact CG1-CB 3.18Å; V859-N861 WeakPolarHBondContact CG1-ND2 0.97Å
860N23.9Very low26.8Very low156 Ų156157.3 Ų157.383%0.83477%0.774SS**  000-88.9-12.9000111.9
861N26.3Very low26.5Very low127 Ų127154 Ų15468%0.67977%0.773SS**  000-90.4-12000109.9V859 L863V859-N861 VanDerWaalsContact C-N 3.29Å; V859-N861 HydrophobicContact CG1-CB 3.18Å; V859-N861 WeakPolarHBondContact CG1-ND2 0.97Å; N861-L863 PolarHBondContact O-N 3.41Å
862H23Very low26.4Very low172 Ų172153.1 Ų153.180%0.79678%0.777SS**  000-85.4-61.9000111.6
863L24.8Very low26.3Very low157 Ų157155.6 Ų155.682%0.82278%0.78SS**  075.80-118.2115.1000109.7N861 L865N861-L863 PolarHBondContact O-N 3.41Å; L863-L865 HydrophobicContact CD2-CB 4.41Å
864T25Very low26.2Very low106 Ų106152.8 Ų152.865%0.6577%0.774SS**  -36.30119.638.20000110.9
865L24.9Very low26.2Very low143 Ų143156.7 Ų156.775%0.74978%0.783SS**  000-141.490.2000109.2L863L863-L865 HydrophobicContact CD2-CB 4.41Å
866D24.1Very low26.2Very low143 Ų143155.6 Ų155.677%0.76578%0.778SS**  099.40-87.2-16.1000111.4
867H26.5Very low26.2Very low163 Ų163158.6 Ų158.676%0.75578%0.779SS**  trans-155.10135.6-91.9-57.1000109.4
868Y25.4Very low26.3Very low206 Ų206161.9 Ų161.981%0.80878%0.784SS**  089.90-91.4-84.5000111.3
869T28.6Very low26.4Very low138 Ų138159.6 Ų159.685%0.84778%0.775SS**  trans-122.40141.648.40000109.3
870K25.8Very low26.3Very low162 Ų162159.4 Ų159.470%0.70478%0.778SS**  000-121.8177.1-176.6178.80111.7
871N28.7Very low26.4Very low148 Ų148156.6 Ų156.679%0.79177%0.766SS**  070.70-96.5-5.1000109.7
872D30.6Very low26.5Very low167 Ų167159.8 Ų159.889%0.89377%0.77SS**  trans-1620138.6-96.2-17000109.2N874D872-N874 VanDerWaalsContact C-N 3.31Å
873R25.9Very low26.7Very low215 Ų215156.1 Ų156.181%0.81176%0.764SS**  000-88-173.8-176.6169.70.3110.6
874N27.9Very low26.8Very low146 Ų146154.7 Ų154.778%0.78176%0.757SS**  000-90.2-7.3000109.6D872D872-N874 VanDerWaalsContact C-N 3.31Å
875R27.9Very low26.9Very low235 Ų235153.1 Ų153.189%0.88776%0.762SS**  090.80-98-175.2176.5179.90.4109.4
876H28.8Very low27Very low162 Ų162151.9 Ų151.975%0.7577%0.765SS**  93.876.7112.9-83.5-64.7000110.4
877Y24.4Very low27.2Very low221 Ų221149.7 Ų149.787%0.86777%0.767SS**  trans-46.984.4148.1-83.3-82.8000111
878I28.9Very low27.3Very low154 Ų154147.5 Ų147.579%0.7977%0.77SS**  trans-91.978.4160.6-64.5176.1000109S880I878-S880 PolarHBondContact O-N 3.45Å
879L25.3Very low27.3Very low134 Ų134147.3 Ų147.370%0.70278%0.776SS**  trans-24.884.1140.3-128.199.6000111.5V881L879-V881 VanDerWaalsContact C-N 3.31Å; L879-V881 HydrophobicContact CB-CG2 4.3Å; L879-V881 HydrophobicContact CD2-CG2 3.18Å; L879-V881 HydrophobicContact CG-CG2 4.04Å
880S26Very low27.3Very low93 Ų93146 Ų14665%0.6577%0.773SS**  trans-82.477.6159.555.30000110.6I878I878-S880 PolarHBondContact O-N 3.45Å
881V25.5Very low27.2Very low97 Ų97146.6 Ų146.659%0.58878%0.784SS**  trans-39.187.7145-1760000109.7L879L879-V881 VanDerWaalsContact C-N 3.31Å; L879-V881 HydrophobicContact CB-CG2 4.3Å; L879-V881 HydrophobicContact CD2-CG2 3.18Å; L879-V881 HydrophobicContact CG-CG2 4.04Å
882Y28.3Very low27.2Very low193 Ų193142.7 Ų142.776%0.75778%0.779SS**  trans-105.392.9157.5-94.6-83.7000109.8
883S27.6Very low26.9Very low96 Ų96143.3 Ų143.367%0.67178%0.778SS**  0.691.8128.8-33.30000111.6G885S883-G885 PolarHBondContact O-N 3.47Å
884D26.8Very low26.8Very low126 Ų126143.5 Ų143.567%0.67478%0.781SS**  trans-43.60139.3-78.3-15.6000111.1R237R237-D884 IonicContact CZ-OD1 3.64Å; R237-D884 IonicContact NH1-OD1 3.3Å; R237-D884 PolarHBondContact NH1-OD1 2.94Å; R237-D884 IonicContact NH1-OD2 3.46Å; R237-D884 IonicContact NH2-OD1 3.55Å; R237-D884 PolarHBondContact NH2-OD1 3.31Å; R237-D884 IonicContact NH2-OD2 3.21Å; R237-D884 PolarHBondContact NH2-OD2 3.19Å
885G26.9Very low26.7Very low74 Ų74145.2 Ų145.276%0.76379%0.786SS**  086000000111S883S883-G885 PolarHBondContact O-N 3.47Å
886S26Very low26.5Very low117 Ų117139.9 Ų139.982%0.81878%0.779SS**  trans-118.30139.551.60000109.5
887A28.3Very low26.3Very low96 Ų96141.7 Ų141.779%0.79379%0.785SS**  0111.6000000109
888S29.2Very low26.3Very low118 Ų118139.3 Ų139.383%0.82578%0.782SS**  44.70116.482.20000110.8
889E24.6Very low26.2Very low201 Ų201138 Ų13894%0.93978%0.784SS**  0101.40-89.5-179.6179.700111.8
890S28.8Very low26.2Very low112 Ų112134.6 Ų134.678%0.78378%0.782SS**  trans-154.9111142.276.10000109.4
891N25.5Very low26.4Very low174 Ų174141.5 Ų141.593%0.9380%0.795SS**  54.394.6116.7-90.6-2.4000111.1
892G27.6Very low26.5Very low66 Ų66145.8 Ų145.868%0.6880%0.801SS**  trans160.294.7141.500000109.9
893M23.5Very low26.7Very low180 Ų180144.6 Ų144.689%0.88781%0.808SS**  35.294.7127.2-81.6-119.8-126.700111
894Y24.9Very low26.8Very low219 Ų219147.2 Ų147.286%0.85981%0.807SS**  trans-157.5104.4149.8-78.6-84.3000109
895M25Very low27.1Very low181 Ų181150 Ų15089%0.89281%0.814SS**  42.889.7119.9-75-88.1-74.600110.6K897M895-K897 VanDerWaalsContact C-N 3.35Å; M895-K897 PolarHBondContact O-N 3.08Å
896V24.1Very low27.5Very low123 Ų123154.7 Ų154.775%0.74582%0.815SS**  trans-51.688.8156.71770000109.3
897K24.9Very low27.6Very low200 Ų200156 Ų15687%0.8781%0.812SS**  trans-66.892156.1-114.5-179.9179.9175.60111M895M895-K897 VanDerWaalsContact C-N 3.35Å; M895-K897 PolarHBondContact O-N 3.08Å
898H23.9Very low27.9Very low172 Ų172160.8 Ų160.880%0.79682%0.815SS**  trans-48.792153.4-92.6-68.7000111.1
899C26.9Very low27.9Very low125 Ų125163 Ų16385%0.84581%0.806SS**  trans-98.686.2159.4-87.40000109.6
900G26.7Very low28.2Very low64 Ų64160.2 Ų160.266%0.6679%0.792SS**  trans-4596.9142.300000111.5
901Y28.5Very low28.3Very low237 Ų237160.7 Ų160.793%0.92979%0.785SS**  trans-91.898.4153.2-121.1-93.1000109.7
902R28.1Very low28.5Very low188 Ų188156.6 Ų156.671%0.70977%0.77SS**  4.4102.4120.6-91.7-165.3-176.6-174.40.1111.6
903N32.5Very low28.7Very low168 Ų168162.9 Ų162.990%0.89878%0.779SS**  trans-141.497.3131.7-93.3-14.1000109.8
904K30.5Very low29Very low151 Ų151158.3 Ų158.366%0.65777%0.77SS**  31.6104.4105-91.9-176.2-177.4177.80111.3
905K33.2Very low29.2Very low185 Ų185156.5 Ų156.580%0.80477%0.769SS**  159.6101.1121.3-88.8-173.5-177.3179.50109.5
906H35Very low29.2Very low172 Ų172154 Ų15480%0.79676%0.764SS**  147.70108.4-91.3-79.4000109.3
907L28.9Very low29.5Very low145 Ų145155.8 Ų155.876%0.75977%0.767SS**  0113.10-125.9104000111.1Y909L907-Y909 HydrophobicContact CD2-CD2 4.29Å; L907-Y909 HydrophobicContact CD2-CE2 4.04Å
908K33.2Very low29.7Very low196 Ų196153 Ų15385%0.85276%0.762SS**  -177.30121.2-99.7-177.5-175.7178.80109.4
909Y30.4Very low29.9Very low163 Ų163149.5 Ų149.564%0.63976%0.757SS**  0118.60-107.5-87.6000110.2L907L907-Y909 HydrophobicContact CD2-CD2 4.29Å; L907-Y909 HydrophobicContact CD2-CE2 4.04Å
910F29.8Very low29.9Very low144 Ų144151 Ų15163%0.63276%0.756SS**  127.1114.798.8-102.7-84000109.2
911D31.3Very low30Very low121 Ų121153.5 Ų153.565%0.64776%0.764SS**  94.4118.193.4-106.4-10.1000110.2
912S29.3Very low30.1Very low89 Ų89148 Ų14862%0.62276%0.757SS**  108.6115.593.648.80000109.9
913K31.9Very low30Very low197 Ų197143.1 Ų143.186%0.85776%0.757SS**  138.5107.9110.1-95.7-175.5-176.7-179.10109.6
914A29.1Very low29.7Very low84 Ų84141.2 Ų141.269%0.69475%0.752SS**  100.8110.996.200000110.1
915Q30.2Very low29.6Very low181 Ų181140.6 Ų140.685%0.84676%0.761SS**  115.9109.1102.9-112178.918.700109.9
916V25.7Very low29.3Very low129 Ų129138.5 Ų138.578%0.78276%0.758SS**  6.8105.4119.3-178.90000110.1
917I30.6Very low29Very low160 Ų160136.9 Ų136.982%0.82176%0.76SS**  trans-155.60143.4-62.7174000108.1
918D27.7Very low28.7Very low141 Ų141132.9 Ų132.975%0.75476%0.755SS**  0110.30-91.8-13.5000111.6
919S27.7Very low28.5Very low99 Ų99131.6 Ų131.669%0.69276%0.755SS**  trans151106.6132.2-220000109.2
920D28Very low28.3Very low156 Ų156129 Ų12983%0.83476%0.757SS**  87.795.1115.8-81.2-18.1000110.2
921S29.6Very low28.1Very low118 Ų118129.5 Ų129.583%0.82576%0.755SS**  trans32.4147.1143.2-93.40000111.3
922P29.2Very low28Very low120 Ų120130.8 Ų130.878%0.77977%0.768SS**  -174.4095.834.1-5.1000111.9
923A26.6Very low28Very low86 Ų86130.9 Ų130.971%0.71177%0.769SS**  00000000110
924T26.8Very low27.9Very low128 Ų128130.4 Ų130.479%0.78577%0.767SS**  0113.7046.40000110.1
925T28.1Very low27.9Very low138 Ų138137.8 Ų137.885%0.84778%0.776SS**  trans176.30136.435.40000108.8
926D27.1Very low27.9Very low141 Ų141133 Ų13375%0.75476%0.763SS**  01050-101.7-10.7000111.3
927V27.5Very low28Very low138 Ų138138.2 Ų138.284%0.83677%0.769SS**  trans176.90146.1-176.40000107.8
928G23.5Very low28Very low62 Ų62140.6 Ų140.664%0.63977%0.773SS**  098.8000000111.8
929I28.1Very low28.1Very low169 Ų169139.3 Ų139.387%0.86777%0.774SS**  trans-123.30149.1-61174.5000108.5
930T27.6Very low28.2Very low109 Ų109140 Ų14067%0.66977%0.768SS**  0115.8010.10000111.3
931Y25.1Very low28.3Very low154 Ų154140.2 Ų140.260%0.60477%0.77SS**  161.493.1123.3-87-83.1000109K934Y931-K934 HydrophobicContact CE1-CD 4.43Å
932T27.8Very low28.4Very low147 Ų147143.6 Ų143.690%0.90277%0.772SS**SBendtrans-152.193.6136.9520000108.9
933S30.4Very low28.3Very low92 Ų92148.1 Ų148.164%0.64377%0.774SS**  137.383.3100.188.80000109.4R935S933-R935 PolarHBondContact O-N 2.58Å
934K28.9Very low28.4Very low187 Ų187153.1 Ų153.181%0.81378%0.78SS**SBendtrans-26.40131.8-98.4-178.5-177.81790111.6Y931Y931-K934 HydrophobicContact CE1-CD 4.43Å
935R29.7Very low28.5Very low239 Ų239155.7 Ų155.790%0.90279%0.785SS**  044.40-137.5175-174176.40.3109.9S933S933-R935 PolarHBondContact O-N 2.58Å
936S29.9Very low28.4Very low81 Ų81156.7 Ų156.757%0.56678%0.78SS**SBendtrans-15038.2161.375.60000109.3
937R28Very low28.6Very low238 Ų238156.6 Ų156.690%0.89879%0.785SS**SBendtrans-137.60177-99-176.8178.1172.1-0.1109.3
938K30.1Very low28.7Very low209 Ų209156.4 Ų156.491%0.90978%0.775SS**SBend000-128.3178.6-177.7178.50109.7
939C30.5Very low28.9Very low114 Ų114161.1 Ų161.177%0.7778%0.78SS**SBend000-81.50000109.2
940I30.2Very low28.8Very low113 Ų113160.5 Ų160.558%0.57978%0.777SS**SBend000-65.3174.2000108.2
941N30.2Very low28.9Very low162 Ų162164.5 Ų164.587%0.86679%0.788SS**SBend000-103.8-8.7000110.1
942E30.3Very low29Very low188 Ų188168.6 Ų168.688%0.87980%0.802SS**SBend000-95.9-173.317600109.8
943R27.9Very low29.1Very low216 Ų216167.4 Ų167.482%0.81579%0.794SS**SBend000-88.2-170-174.9178.1-0.1109.4
944F28.7Very low28.9Very low190 Ų190167.1 Ų167.183%0.83379%0.792SS**SBend000-105.2-84000109.1
945M28.3Very low29Very low183 Ų183167.8 Ų167.890%0.90180%0.798SS**SBend000-77.7-80.2-176.900109.3
946H27.5Very low28.8Very low159 Ų159161.4 Ų161.474%0.73679%0.79SS**  000-99.6-52.7000109.4
947T30.2Very low29Very low138 Ų138166.3 Ų166.385%0.84780%0.804SS**  051.7020.60000109.4
948E29.3Very low29Very low135 Ų135163.2 Ų163.263%0.63180%0.796SS**SBendtrans-109.80140.9-105.1-174.717500109.8K344K344-E948 WeakPolarHBondContact CE-OE1 2.75Å; K344-E948 VanDerWaalsContact NZ-CD 3.28Å; K344-E948 IonicContact NZ-OE1 3.35Å; K344-E948 PolarHBondContact NZ-OE1 2.78Å; K344-E948 IonicContact NZ-OE2 2.8Å; K344-E948 PolarHBondContact NZ-OE2 3.38Å; K344-E948 VanDerWaalsContact NZ-OE2 3.16Å
949H27.7Very low28.9Very low161 Ų161160.8 Ų160.875%0.74579%0.788SS**SBend000-128.4-64.6000109.4
950I27.6Very low28.9Very low156 Ų156164 Ų16480%0.879%0.789SS**  000-65.9176.5000107.9
951Q29Very low28.7Very low193 Ų193164.5 Ų164.590%0.90280%0.797SS**  000-108.7176.3-6.500109.9
952R27Very low28.7Very low240 Ų240163 Ų16391%0.90680%0.798SS**  078.70-90.9-173.1-162.2170.2-0.5110.2
953V29.5Very low28.5Very low121 Ų121161.5 Ų161.573%0.73379%0.791SS**  trans-98.60153.4178.20000108.9
954S26.1Very low28.6Very low86 Ų86157 Ų15760%0.60179%0.792SS**  082.8043.90000111.6
955H31Very low28.6Very low201 Ų201155.4 Ų155.493%0.93179%0.787SS**  trans-134.10135.3-80.5-58.4000109.6
956S26.6Very low28.6Very low105 Ų105152.3 Ų152.373%0.73478%0.784SS**  0920100.20000111.1
957H33.1Very low28.7Very low185 Ų185154 Ų15486%0.85679%0.789SS**  trans-107.697.8148.6-101.3-0.6000110.4
958K27.3Very low28.8Very low172 Ų172155.5 Ų155.575%0.74879%0.79SS**  37.6101.6117.2-87.9-174.2-1771800111.4
959H28.8Very low28.8Very low158 Ų158160.1 Ų160.173%0.73180%0.802SS**  166.10122-91.6-71.1000109.3
960K30.5Very low29Very low183 Ų183158.4 Ų158.480%0.79681%0.805SS**  093.10-97.8180-177.1-179.60110.5
961T26.6Very low29.1Very low123 Ų123155.4 Ų155.476%0.75580%0.803SS**  5109.5123.234.20000111.3
962C28.9Very low29.2Very low130 Ų130155.5 Ų155.588%0.87880%0.8SS**  trans-149101.2130.1-75.20000109.1
963H26.8Very low29.4Very low156 Ų156151.2 Ų151.272%0.72279%0.79SS**  -4.5112.9126.7-85.1-52.3000111.8
964S29.7Very low29.5Very low121 Ų121151.4 Ų151.485%0.84679%0.792SS**  trans-146.2104.6135.223.20000109.4
965H28.3Very low29.7Very low157 Ų157153.8 Ų153.873%0.72780%0.798SS**  4.4103.2125.4-78.6-72.8000111.7
966S28.3Very low29.7Very low119 Ų119151.4 Ų151.483%0.83279%0.791SS**  trans-106.891.3153.486.30000110
967K31.3Very low29.9Very low195 Ų195152.6 Ų152.685%0.84879%0.789SS**  trans-97.4108.3152.7-86.8-174.7-176.1179.80110.2
968I31.9Very low29.9Very low168 Ų168151.4 Ų151.486%0.86278%0.784SS**  -4.70119.7-60.7172.3000110.3
969R28Very low30.1Very low233 Ų233149 Ų14988%0.87978%0.779SS**  000-111.8-178.9-171.9170-0.1110.8
970P32.1Very low30.3Very low125 Ų125149.9 Ų149.981%0.81278%0.78SS**  00033.4-4.7000111.9
971A29.8Very low30.4Very low93 Ų93148.5 Ų148.577%0.76978%0.78SS**  0111.9000000111.5
972K31.8Very low30.5Very low194 Ų194150.8 Ų150.884%0.84378%0.782SS**  166.80128.8-95.7-175.6-177-179.50109.3
973H30.3Very low30.8Very low150 Ų150149.6 Ų149.669%0.69477%0.773SS**  0112.50-105.7-76.1000109.5
974T32.5Very low31Very low126 Ų126147.7 Ų147.777%0.77377%0.772SS**  1580120.927.10000108.8
975D30.4Very low31.2Very low136 Ų136147.8 Ų147.873%0.72777%0.773SS**  0110.20-82.6-16.4000110.8
976L31.1Very low31.4Very low150 Ų150143.8 Ų143.879%0.78577%0.774SS**  160.10123-99.8148.7000109.1
977L30.3Very low31.5Very low130 Ų130143 Ų14368%0.68177%0.769SS**  0103.60-94.9152.4000110
978H33Very low31.4Very low161 Ų161140.7 Ų140.775%0.74577%0.765SS**  1630120-107.5-1.6000109.6
979N32.1Very low31.4Very low122 Ų122138.3 Ų138.365%0.65276%0.762SS**  0110.20-92.7-9.7000111.2
980K32.2Very low31.5Very low175 Ų175134.2 Ų134.276%0.76176%0.758SS**  118.70100.6-115.4-180-177.3-179.90109.9
981I33.3Very low31.4Very low155 Ų155134.6 Ų134.680%0.79576%0.758SS**  000-63.1174.1000108
982Q29Very low31.4Very low170 Ų170133.5 Ų133.579%0.79475%0.749SS**  01680-106.2179.2-8.400112
983P34.8Very low31.5Very low105 Ų105130.7 Ų130.768%0.68274%0.743SS**  -175.6145.265.934.6-5.7000112.2
984T30.5Very low31.7Very low116 Ų116129.2 Ų129.271%0.71274%0.74SS**  70.6127.895.627.70000110.3
985S35.3Very low31.9Very low123 Ų123129.7 Ų129.786%0.8674%0.738SS**  161.2117.111359.70000109.3
986G32Very low31.9Very low73 Ų73129.5 Ų129.575%0.75374%0.742SS**  106108.99400000110.9
987S30.6Very low31.9Very low103 Ų103130.8 Ų130.872%0.7274%0.744SS**  76.5121.896.3125.20000110.8
988L28.7Very low32Very low147 Ų147129.6 Ų129.677%0.7775%0.746SS**  90.8124.497.3-97.5144.5000110
989C31.7Very low31.9Very low118 Ų118129.2 Ų129.280%0.79775%0.749SS**  156117119-72.40000108.9
990N29.1Very low32Very low147 Ų147132.3 Ų132.379%0.78676%0.756SS**  37.8130.7105.5-84.6-8.2000111.7
991T31.7Very low32.1Very low132 Ų132131.5 Ų131.581%0.8176%0.755SS**  140.1120119.4-22.40000109.1
992A30.1Very low32.1Very low71 Ų71128.3 Ų128.359%0.58774%0.743SS**  85.8119.599.400000110.2
993N32.8Very low32.2Very low135 Ų135129.7 Ų129.772%0.72274%0.741SS**  125.9116.9115.9-91.3-7.9000110
994N34.6Very low31.9Very low119 Ų119130.9 Ų130.964%0.63674%0.741SS**  129.7107.6114.2-83-10.4000109.8
995D36.4Very low31.9Very low136 Ų136130.8 Ų130.873%0.72774%0.744SS**  126.90111.3-78.5-19.1000109.4
996T31.1Very low31.6Very low131 Ų131133.5 Ų133.580%0.80474%0.743SS**  00029.30000111.2
997E31.2Very low31.4Very low177 Ų177138.6 Ų138.683%0.82775%0.745SS**  0107.70-139.3176.8179.600109.5
998C31.9Very low31.3Very low106 Ų106138.9 Ų138.972%0.71674%0.742SS**  149.30124.9-101.40000109.2
999D31.9Very low31.3Very low153 Ų153140.9 Ų140.982%0.81875%0.745SS**  0101.60-110.5-6.6000110.5
1000K34.2Very low31Very low186 Ų186142.5 Ų142.581%0.80975%0.746SS**  168.80128.5-103.3-179.6-176.8178.80109.4
1001H33.7Very low30.8Very low158 Ų158139.7 Ų139.773%0.73174%0.743SS**  000-104.2-68.9000109.7
1002V33.6Very low30.5Very low89 Ų89142.2 Ų142.254%0.53974%0.743SS.*  01080175.50000109.1
1003R30.2Very low30.3Very low199 Ų199143.9 Ų143.975%0.75174%0.741SS**  90.5113.294.1-91.2-158.7-89.1-134.62.5110.2
1004D29.3Very low30.1Very low129 Ų129144.5 Ų144.569%0.6974%0.739SS**  108.6115.5108.3-86.2-13.3000109.7
1005C30.7Very low29.8Very low115 Ų115143.7 Ų143.778%0.77774%0.739SS**  138.10109.6-83.50000109.2
1006E27.7Very low29.5Very low180 Ų180144.5 Ų144.584%0.84174%0.742SS**  0113.10-122.9179.3176.500111.6
1007K29.4Very low29.5Very low179 Ų179142.8 Ų142.878%0.77874%0.735SS**  trans127.3114.2134.2-94.5-175.1-175.5-179.70109.7
1008T26.6Very low29.6Very low110 Ų110138.9 Ų138.968%0.67573%0.728SS**  75.80115.618.80000110.1
1009F29.2Very low29.7Very low189 Ų189143.2 Ų143.283%0.82974%0.735SS**  000-108.3-87.3000109.1
1010D24.9Very low29.8Very low151 Ų151139.2 Ų139.281%0.80772%0.719SS**  0119.60-93.9-13.4000110.8
1011A25.6Very low29.8Very low89 Ų89137.3 Ų137.374%0.73671%0.713SS**  91011300000110
1012K25.5Very low29.6Very low185 Ų185135.7 Ų135.780%0.80470%0.7SS**  0122.20-117.8174.9-177.1179.10110.1
1013I26.7Very low29.5Very low105 Ų105135.7 Ų135.754%0.53869%0.691SS.*  990109.3-63.1178.6000108.7
1014H28.4Very low29.5Very low148 Ų148129.9 Ų129.969%0.68568%0.678SS**  0123.80-94.7-72000109.9
1015T28.5Very low29.5Very low103 Ų103130.5 Ų130.563%0.63268%0.68SS**  76.70101.9420000110.1
1016L30.2Very low29.3Very low152 Ų152128.7 Ų128.780%0.79667%0.669SS**  0132.40-108.8117.3000109.4
1017S30.5Very low29.3Very low95 Ų95127 Ų12766%0.66467%0.666SS**  126.3125.693.561.90000109.8
1018S33Very low29.2Very low95 Ų95122.7 Ų122.766%0.66466%0.658SS**  106.109163.30000109.9
1019F34.2Very low29.3Very low198 Ų198125.8 Ų125.887%0.86867%0.665SS**  000-106.4-85.5000108.9
1020S33.6Very low29.4Very low69 Ų69122.4 Ų122.448%0.48367%0.665SS.*  0130.40126.90000111.3
1021E34.9Very low29.6Very low145 Ų145123 Ų12368%0.67867%0.668SS**  168.5099.3-95.5-179.1-179.400109.9
1022R30Very low30.2Very low124 Ų124123 Ų12347%0.46866%0.661SS.*  0121.20-87.6-163.9-144.2-1741.5110.4Q485 I486 P487Q485-R1022 VanDerWaalsContact C-CG 3.46Å; Q485-R1022 WeakPolarHBondContact O-CG 3.37Å; I486-R1022 HydrophobicContact CB-CB 4.08Å; I486-R1022 HydrophobicContact CB-CG 2.85Å; I486-R1022 HydrophobicContact CG1-CG 4.26Å; I486-R1022 HydrophobicContact CG2-CG 3.56Å; I486-R1022 CarbonylContact O-C 3.57Å; I486-R1022 VanDerWaalsContact O-C 3.24Å; I486-R1022 WeakPolarHBondContact O-CA 3.08Å; I486-R1022 CovalentContact O-CB 1.03Å; I486-R1022 WeakPolarHBondContact O-CB 2.85Å; I486-R1022 WeakPolarHBondContact O-CD 3.13Å; I486-R1022 CovalentContact O-CG 0.66Å; I486-R1022 WeakPolarHBondContact O-CG 1.35Å; I486-R1022 PolarHBondContact O-N 2.47Å; I486-R1022 PolarHBondContact O-NE 3.11Å; P487-R1022 VanDerWaalsContact CA-CB 3.48Å; P487-R1022 VanDerWaalsContact CD-CG 3.4Å
1023Y31.5Very low30.4Very low90 Ų90121.9 Ų121.935%0.35366%0.663SS.*  154.9090.4-89-80.3000109.7I486 P487 N488I486-Y1023 HydrophobicContact CB-CE1 4.13Å; I486-Y1023 HydrophobicContact CG2-CD1 3.73Å; I486-Y1023 HydrophobicContact CG2-CE1 2.95Å; I486-Y1023 HydrophobicContact CG2-CE2 3.91Å; I486-Y1023 HydrophobicContact CG2-CG 4.47Å; I486-Y1023 WeakPolarHBondContact CG2-OH 3.28Å; I486-Y1023 WeakPolarHBondContact O-CD2 0.66Å; I486-Y1023 WeakPolarHBondContact O-CE2 3.29Å; P487-Y1023 CovalentContact C-CD2 1.1Å; P487-Y1023 CovalentContact CA-CD2 1.34Å; P487-Y1023 CovalentContact CB-CD1 0.65Å; P487-Y1023 HydrophobicContact CB-CD1 0.65Å; P487-Y1023 HydrophobicContact CB-CD2 2.76Å; P487-Y1023 HydrophobicContact CB-CE1 2Å; P487-Y1023 HydrophobicContact CB-CE2 3.35Å; P487-Y1023 HydrophobicContact CB-CG 1.5Å; P487-Y1023 CovalentContact CD-CE1 1.26Å; P487-Y1023 CovalentContact CD-CZ 1.46Å; P487-Y1023 WeakPolarHBondContact CD-OH 3.5Å; P487-Y1023 CovalentContact CG-CD1 1.13Å; P487-Y1023 HydrophobicContact CG-CD1 1.13Å; P487-Y1023 HydrophobicContact CG-CD2 3.23Å; P487-Y1023 CovalentContact CG-CE1 0.99Å; P487-Y1023 HydrophobicContact CG-CE1 0.99Å; P487-Y1023 HydrophobicContact CG-CE2 3.18Å; P487-Y1023 HydrophobicContact CG-CG 2.44Å; P487-Y1023 VanDerWaalsContact CG-OH 3.29Å; P487-Y1023 WeakPolarHBondContact CG-OH 3.36Å; P487-Y1023 WeakPolarHBondContact O-CD1 3.02Å; P487-Y1023 WeakPolarHBondContact O-CD2 1.03Å; P487-Y1023 WeakPolarHBondContact O-CE1 2.83Å; P487-Y1023 CovalentContact O-CE2 0.97Å; P487-Y1023 WeakPolarHBondContact O-CE2 3.24Å; P487-Y1023 PolarHBondContact O-OH 3.43Å; N488-Y1023 VanDerWaalsContact CA-CD2 3.49Å; N488-Y1023 HydrophobicContact CB-CD1 4.08Å; N488-Y1023 HydrophobicContact CB-CD2 3.88Å; N488-Y1023 HydrophobicContact CB-CE1 4.03Å; N488-Y1023 HydrophobicContact CB-CE2 3.89Å; N488-Y1023 HydrophobicContact CB-CG 3.95Å
1024T29.6Very low30.5Very low77 Ų77123 Ų12347%0.47267%0.669SS.*  0125.3045.40000110.6P487P487-T1024 WeakPolarHBondContact CB-OG1 3.47Å; P487-T1024 WeakPolarHBondContact CG-OG1 3.03Å
1025L29.2Very low30.6Very low141 Ų141123.7 Ų123.774%0.73868%0.678SS**  127.2096.5-104.5126.7000109.4
1026S26.2Very low30.5Very low78 Ų78123 Ų12355%0.54568%0.677SS.*  0121.3050.40000110.1
1027N28.4Very low30.5Very low144 Ų144123.8 Ų123.877%0.7767%0.674SS**  107.4118.399.2-84.4-7.5000110.2
1028S27.2Very low30.5Very low88 Ų88125 Ų12562%0.61567%0.673SS**  120.2110.998.663.40000109.6
1029E28.4Very low30.4Very low176 Ų176125.8 Ų125.882%0.82267%0.674SS**  115.9107.2100.3-104.5177-179.800109.8
1030S31.2Very low30.2Very low118 Ų118126.9 Ų126.983%0.82567%0.672SS**  140.70105.451.70000109.4
1031N28.2Very low30.2Very low162 Ų162131.2 Ų131.287%0.86669%0.685SS**  000-106-8000112.4
1032P38.1Very low29.9Very low90 Ų90131.3 Ų131.358%0.58469%0.69SS**  0145.1034.3-4.9000112
1033L31.3Very low30Very low162 Ų162131.6 Ų131.685%0.84871%0.706SS**  trans-154.9114.3157.9-84.7161.7000109.3
1034N28.4Very low30.1Very low127 Ų127132.9 Ų132.968%0.67972%0.723SS**  70.9109.491.6-115.5-14.9000110.9
1035L30.6Very low30.2Very low164 Ų164135.9 Ų135.986%0.85974%0.736SS**  17499.1124.4-106120.1000109.1
1036S25.4Very low30.2Very low89 Ų89136.2 Ų136.262%0.62274%0.738SS**  -30.7122.112958.70000111.8
1037F30Very low30.4Very low167 Ų167141.1 Ų141.173%0.73276%0.755SS**  trans-179.1112.7136.4-102.4-84000109
1038L31.3Very low30.5Very low120 Ų120141.8 Ų141.863%0.62876%0.759SS**  104.7109.8101-94.6151.5000109.7
1039T31Very low30.7Very low112 Ų112147.8 Ų147.869%0.68777%0.768SS**  84.5123.295.442.10000109.8
1040R30.4Very low30.6Very low222 Ų222145 Ų14584%0.83877%0.768SS**  91.8120.797.9-141.2175.9168.2164.9-1.4110
1041E32.1Very low30.6Very low159 Ų159147.7 Ų147.774%0.74377%0.765SS**  142.5116.5112.9-92.9-177.317800109.5
1042N29.3Very low30.6Very low148 Ų148144.8 Ų144.879%0.79176%0.758SS**  58117.8103.5-95.9-4.8000111.1
1043T32.9Very low30.1Very low130 Ų130145.2 Ų145.280%0.79876%0.762SS**  161.3109.3128.736.20000108.9
1044T32.4Very low29.9Very low117 Ų117142 Ų14272%0.71875%0.754SS**  61.6119.7107.146.50000110.2
1045N32.3Very low29.9Very low140 Ų140142.9 Ų142.975%0.74976%0.758SS**  101.7110.9114.2-82.4-13.4000110.2
1046N29.3Very low29.9Very low147 Ų147143 Ų14379%0.78676%0.759SS**  107.4103.9117.4-100.9-3.3000110.1
1047M30.7Very low30.1Very low181 Ų181143.9 Ų143.989%0.89276%0.762SS**  trans156.20130.7-76.6-126.2-108.700109
1048N29.7Very low29.9Very low158 Ų158146.4 Ų146.485%0.84577%0.768SS**  0930-87.7-9000111.7
1049R30.9Very low30.1Very low214 Ų214147 Ų14781%0.80878%0.777SS**  trans-1540155.2-109.3-177.2-175.7-174.60.9109.4F1051R1049-F1051 HydrophobicContact CB-CD2 4.49Å
1050S27.9Very low30Very low119 Ų119147.8 Ų147.883%0.83277%0.767SS**  0101.1034.80000111.7
1051F29.7Very low30.2Very low173 Ų173145.4 Ų145.476%0.75977%0.765SS**  trans-139.197.9156.6-88.8-80000109R1049R1049-F1051 HydrophobicContact CB-CD2 4.49Å
1052S28.9Very low30.1Very low102 Ų102141 Ų14171%0.71376%0.763SS**  1.1111.9112.6106.20000111.8
1053S27.3Very low30.3Very low98 Ų98142.5 Ų142.569%0.68577%0.765SS**  89.198.5124.877.60000110.4
1054S28.2Very low30Very low96 Ų96147.1 Ų147.167%0.67177%0.77SS**  trans12988.8133.745.20000109.8
1055D28.1Very low30Very low144 Ų144152.9 Ų152.977%0.7779%0.793SS**  trans150.90143.2-77.6-20.7000109.3
1056I30.1Very low29.9Very low168 Ų168153.6 Ų153.686%0.86280%0.796SS**  0114.40-61.7171.3000108.4
1057P30.4Very low29.9Very low107 Ų107153.9 Ų153.970%0.69580%0.796SS**  trans-44.8110.3-174.931.7-4.9000111.9
1058Y25.6Very low29.9Very low219 Ų219152.4 Ų152.486%0.85979%0.791SS**  trans-20.690.9134.8-94.9-86000111.3
1059T34.9Very low29.9Very low133 Ų133152.1 Ų152.182%0.81679%0.788SS**  trans-97.60157.224.90000109.3
1060R29.2Very low29.9Very low128 Ų128148.2 Ų148.248%0.48379%0.786SS.*  0100.30-139.2-176.5-150.8-174.63.9111.9R541R541-R1060 VanDerWaalsContact CG-NH2 3.33Å; R541-R1060 VanDerWaalsContact NH1-NH1 3.18Å; R541-R1060 CovalentContact NH2-NE 1.83Å
1061H34.9Very low30Very low173 Ų173150.1 Ų150.180%0.80178%0.783SS**  trans-141.20150.3-92.7-49.8000109.4
1062G28.7Very low30Very low67 Ų67148.5 Ų148.569%0.69179%0.785SS**  0100.6000000112.4
1063E33.9Very low30.1Very low179 Ų179152.1 Ų152.184%0.83679%0.791SS**  trans-151.10135.7-87.5-176.617400109.5
1064Y26.4Very low30.3Very low227 Ų227156.6 Ų156.689%0.8980%0.8SS**  0117.40-82.1-85.1000111.3
1065I33.7Very low30.5Very low238 Ų238162.1 Ų162.1100%1.22181%0.811SS**  -107.80117.3-57.2175.7000108.4

Retrieved 1,065 of 1,065 residues in 118.5 ms (Link to these results)

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