A0A093KB10_STRCA Loading...

tRNA-specific adenosine deaminase 1

Specifically deaminates adenosine-37 to inosine in tRNA-Ala.

AlphaFold DB , UniProt , Accession A0A093KB10, Species STRCA (Struthio camelus australis), Gene n/a, Length 505 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
1M70.3Confident95Very high212 Ų21257.7 Ų57.7100%1.04429%0.292SS*.  0152.20-148.4168-156.600108.2
2W91.3Very high95.3Very high59 Ų5955.2 Ų55.222%0.22328%0.276CS..  trans-135.4150174.260.3-92.5000110.4E6 I7 L40 I134 A331 V333 L370W2-E6 WeakPolarHBondContact CA-OE2 3.38Å; W2-I7 HydrophobicContact CE3-CD1 4.29Å; W2-I7 HydrophobicContact CE3-CG1 3.67Å; W2-I7 HydrophobicContact CZ3-CG1 4.11Å; W2-L40 HydrophobicContact CB-CD2 4.24Å; W2-L40 HydrophobicContact CD2-CD2 4.13Å; W2-L40 HydrophobicContact CG-CD2 3.6Å; W2-I134 HydrophobicContact CD2-CD1 3.53Å; W2-I134 HydrophobicContact CE3-CD1 3.64Å; W2-I134 HydrophobicContact CG-CD1 4.31Å; W2-I134 HydrophobicContact CH2-CD1 3.57Å; W2-I134 HydrophobicContact CH2-CG1 4.23Å; W2-I134 HydrophobicContact CZ2-CD1 3.43Å; W2-I134 VanDerWaalsContact CZ2-CD1 3.43Å; W2-I134 HydrophobicContact CZ2-CG1 4.11Å; W2-I134 HydrophobicContact CZ3-CD1 3.66Å; W2-A331 HydrophobicContact CH2-CB 3.47Å; W2-A331 VanDerWaalsContact CH2-CB 3.47Å; W2-A331 HydrophobicContact CZ2-CB 4Å; W2-V333 HydrophobicContact CZ3-CG2 4.17Å; W2-L370 HydrophobicContact CH2-CD1 3.61Å; W2-L370 HydrophobicContact CZ3-CD1 3.58Å
3S95.9Very high95.5Very high52 Ų5256.1 Ų56.136%0.36429%0.286SS..  trans-115.7164178.379.80000112.4D5 E6 I7S3-D5 VanDerWaalsContact C-N 3.3Å; S3-D5 PolarHBondContact O-N 2.87Å; S3-D5 PolarHBondContact OG-N 2.85Å; S3-E6 PolarHBondContact N-OE2 3.48Å; S3-E6 VanDerWaalsContact N-OE2 3.1Å; S3-E6 PolarHBondContact O-N 2.99Å; S3-E6 WeakPolarHBondContact OG-CG 3.47Å; S3-E6 PolarHBondContact OG-N 3.46Å; S3-E6 VanDerWaalsContact OG-N 3.11Å; S3-I7 WeakPolarHBondContact O-CG1 3.21Å; S3-I7 PolarHBondContact O-N 3.09Å
4A97.9Very high95.7Very high15 Ų1553.7 Ų53.712%0.12427%0.274CS..Hα-helixtrans-60.6-40.4175.100000112.1I7 A8 V333 L370 Q371A4-I7 PolarHBondContact O-N 3.04Å; A4-A8 PolarHBondContact O-N 2.92Å; A4-V333 HydrophobicContact CB-CG1 3.89Å; A4-L370 HydrophobicContact CB-CB 4.16Å; A4-Q371 VanDerWaalsContact CB-O 3.27Å; A4-Q371 WeakPolarHBondContact CB-O 3.35Å
5D98.4Very high95.9Very high52 Ų5250.2 Ų50.228%0.27826%0.256SS..Hα-helixtrans-68-40.1179.4-70.8-15.8000112.1S3 I7 A8 E9 S372 N373 L374S3-D5 VanDerWaalsContact C-N 3.3Å; S3-D5 PolarHBondContact O-N 2.87Å; S3-D5 PolarHBondContact OG-N 2.85Å; D5-I7 VanDerWaalsContact C-N 3.3Å; D5-I7 PolarHBondContact O-N 3.34Å; D5-A8 PolarHBondContact O-N 3.14Å; D5-E9 VanDerWaalsContact O-CB 3.28Å; D5-E9 WeakPolarHBondContact O-CB 3.5Å; D5-E9 PolarHBondContact O-N 2.78Å; D5-S372 WeakPolarHBondContact OD1-CA 3.45Å; D5-S372 VanDerWaalsContact OD1-CB 3.27Å; D5-S372 WeakPolarHBondContact OD1-CB 3.24Å; D5-S372 PolarHBondContact OD1-OG 3.06Å; D5-N373 PolarHBondContact OD1-N 3.37Å; D5-L374 HydrophobicContact CB-CD1 4.2Å; D5-L374 HydrophobicContact CB-CG 4.22Å; D5-L374 WeakPolarHBondContact O-CD1 3.1Å
6E97.8Very high96Very high77 Ų7750.6 Ų50.636%0.3626%0.264SS..Hα-helixtrans-60.4-39.9173.9-74.3179.7155.800112.2W2 S3 L10 K59W2-E6 WeakPolarHBondContact CA-OE2 3.38Å; S3-E6 PolarHBondContact N-OE2 3.48Å; S3-E6 VanDerWaalsContact N-OE2 3.1Å; S3-E6 PolarHBondContact O-N 2.99Å; S3-E6 WeakPolarHBondContact OG-CG 3.47Å; S3-E6 PolarHBondContact OG-N 3.46Å; S3-E6 VanDerWaalsContact OG-N 3.11Å; E6-L10 VanDerWaalsContact O-CB 3.3Å; E6-L10 WeakPolarHBondContact O-CB 3.33Å; E6-L10 PolarHBondContact O-N 3.46Å; E6-K59 IonicContact OE1-NZ 3.92Å; E6-K59 IonicContact OE2-NZ 3.88Å; E6-K59 PolarHBondContact OE2-NZ 3.36Å
7I98.6Very high95.9Very high0 Ų053.4 Ų53.40%028%0.284CS..Hα-helixtrans-68.4-44.3177.8-64.5-60.5000110.9W2 S3 A4 D5 L10 C11 V38 L40 I134 F136 V333W2-I7 HydrophobicContact CE3-CD1 4.29Å; W2-I7 HydrophobicContact CE3-CG1 3.67Å; W2-I7 HydrophobicContact CZ3-CG1 4.11Å; S3-I7 WeakPolarHBondContact O-CG1 3.21Å; S3-I7 PolarHBondContact O-N 3.09Å; A4-I7 PolarHBondContact O-N 3.04Å; D5-I7 VanDerWaalsContact C-N 3.3Å; D5-I7 PolarHBondContact O-N 3.34Å; I7-L10 PolarHBondContact O-N 3.5Å; I7-C11 PolarHBondContact O-N 2.76Å; I7-C11 VanDerWaalsContact O-N 3.08Å; I7-C11 PolarHBondContact O-SG 3.5Å; I7-V38 HydrophobicContact CD1-CG1 4.2Å; I7-V38 HydrophobicContact CG2-CG2 4.12Å; I7-L40 HydrophobicContact CD1-CD1 4.1Å; I7-I134 HydrophobicContact CD1-CD1 3.69Å; I7-I134 HydrophobicContact CG1-CD1 4.02Å; I7-I134 HydrophobicContact CG1-CG2 4.43Å; I7-I134 HydrophobicContact CG2-CG2 3.98Å; I7-F136 HydrophobicContact CG2-CB 4.18Å; I7-F136 HydrophobicContact CG2-CD2 4.49Å; I7-V333 HydrophobicContact CB-CG2 4.38Å; I7-V333 HydrophobicContact CG2-CB 4.34Å; I7-V333 HydrophobicContact CG2-CG2 4.19Å
8A98.7Very high95.8Very high0 Ų060.7 Ų60.70%031%0.307CS..Hα-helixtrans-63.7-46.1177.800000111.6A4 D5 L10 C11 Y12 F136 S372 L374A4-A8 PolarHBondContact O-N 2.92Å; D5-A8 PolarHBondContact O-N 3.14Å; A8-L10 PolarHBondContact O-N 2.73Å; A8-C11 PolarHBondContact O-N 3.26Å; A8-C11 VanDerWaalsContact O-N 3.15Å; A8-Y12 HydrophobicContact CB-CE2 4.09Å; A8-Y12 WeakPolarHBondContact O-CD2 3.02Å; A8-Y12 PolarHBondContact O-N 2.94Å; A8-F136 HydrophobicContact CB-CD2 4.29Å; A8-F136 HydrophobicContact CB-CE2 3.6Å; A8-F136 HydrophobicContact CB-CZ 4.12Å; A8-S372 VanDerWaalsContact CB-OG 3.23Å; A8-S372 WeakPolarHBondContact CB-OG 3.27Å; A8-L374 HydrophobicContact CB-CB 4.23Å; A8-L374 HydrophobicContact CB-CD1 4.23Å
9E98.6Very high95.7Very high117 Ų11757.9 Ų57.955%0.54729%0.293SS..Hα-helixtrans-59.3-44.5177-176.6176.6-133.700111.7D5 C11 Y12 T13 L374D5-E9 VanDerWaalsContact O-CB 3.28Å; D5-E9 WeakPolarHBondContact O-CB 3.5Å; D5-E9 PolarHBondContact O-N 2.78Å; E9-C11 VanDerWaalsContact C-N 3.32Å; E9-C11 PolarHBondContact O-N 2.75Å; E9-Y12 PolarHBondContact O-N 3.19Å; E9-T13 WeakPolarHBondContact O-CB 3.39Å; E9-T13 PolarHBondContact O-N 3.2Å; E9-T13 PolarHBondContact O-OG1 3.43Å; E9-L374 HydrophobicContact CB-CD1 3.75Å
10L98.5Very high95.5Very high51 Ų5158 Ų5827%0.26730%0.297SS..Hα-helixtrans-59.7-42.9175.5-179.465.3000111.5E6 I7 A8 H14 V38 K59 V61E6-L10 VanDerWaalsContact O-CB 3.3Å; E6-L10 WeakPolarHBondContact O-CB 3.33Å; E6-L10 PolarHBondContact O-N 3.46Å; I7-L10 PolarHBondContact O-N 3.5Å; A8-L10 PolarHBondContact O-N 2.73Å; L10-H14 VanDerWaalsContact O-CB 3.3Å; L10-H14 WeakPolarHBondContact O-CB 3.31Å; L10-H14 PolarHBondContact O-N 2.82Å; L10-V38 HydrophobicContact CD2-CG1 3.66Å; L10-K59 HydrophobicContact CD2-CB 3.75Å; L10-V61 HydrophobicContact CD2-CG2 4.21Å; L10-V61 HydrophobicContact CG-CG2 3.84Å
11C98.8Very high95.3Very high0 Ų064.5 Ų64.50%032%0.324CS..Hα-helixtrans-66.9-43.9177.4-650000112.1I7 A8 E9 H14 Y15 A36 M64 F136I7-C11 PolarHBondContact O-N 2.76Å; I7-C11 VanDerWaalsContact O-N 3.08Å; I7-C11 PolarHBondContact O-SG 3.5Å; A8-C11 PolarHBondContact O-N 3.26Å; A8-C11 VanDerWaalsContact O-N 3.15Å; E9-C11 VanDerWaalsContact C-N 3.32Å; E9-C11 PolarHBondContact O-N 2.75Å; C11-H14 PolarHBondContact O-N 2.83Å; C11-Y15 WeakPolarHBondContact O-CB 3.38Å; C11-Y15 PolarHBondContact O-N 2.75Å; C11-A36 HydrophobicContact CB-CB 4.37Å; C11-M64 WeakPolarHBondContact O-CE 3.39Å; C11-F136 HydrophobicContact CB-CD1 3.54Å; C11-F136 HydrophobicContact CB-CE1 3.82Å; C11-F136 HydrophobicContact CB-CG 4.13Å
12Y98.6Very high96.3Very high27 Ų2760 Ų6011%0.10630%0.3CS..Hα-helixtrans-68.1-42.5179.5-61.9-26.3000111.9A8 E9 H14 Y15 S16 L34 F136 L374 F376A8-Y12 HydrophobicContact CB-CE2 4.09Å; A8-Y12 WeakPolarHBondContact O-CD2 3.02Å; A8-Y12 PolarHBondContact O-N 2.94Å; E9-Y12 PolarHBondContact O-N 3.19Å; Y12-H14 VanDerWaalsContact C-N 3.34Å; Y12-H14 PolarHBondContact O-N 2.88Å; Y12-Y15 WeakPolarHBondContact O-CB 3.34Å; Y12-Y15 PolarHBondContact O-N 2.97Å; Y12-S16 PolarHBondContact O-N 2.91Å; Y12-S16 PolarHBondContact O-OG 3.14Å; Y12-L34 HydrophobicContact CD1-CD2 3.74Å; Y12-L34 HydrophobicContact CE1-CD2 4.08Å; Y12-F136 HydrophobicContact CD1-CE1 4.28Å; Y12-F136 HydrophobicContact CD1-CZ 4.32Å; Y12-F136 AromaticContact CE1-CE1 3.66Å; Y12-F136 HydrophobicContact CE1-CE1 3.66Å; Y12-F136 AromaticContact CE1-CZ 3.42Å; Y12-F136 HydrophobicContact CE1-CZ 3.42Å; Y12-F136 VanDerWaalsContact CE1-CZ 3.42Å; Y12-F136 AromaticContact CZ-CZ 3.6Å; Y12-F136 WeakPolarHBondContact OH-CZ 3.19Å; Y12-L374 HydrophobicContact CD2-CB 4.26Å; Y12-L374 HydrophobicContact CE2-CB 3.67Å; Y12-L374 PolarHBondContact OH-O 3.42Å; Y12-F376 HydrophobicContact CD1-CB 4.42Å; Y12-F376 AromaticContact CD1-CD2 3.65Å; Y12-F376 HydrophobicContact CD1-CD2 3.65Å; Y12-F376 HydrophobicContact CD1-CE2 4.41Å; Y12-F376 HydrophobicContact CD1-CG 4.41Å; Y12-F376 HydrophobicContact CE1-CB 3.61Å; Y12-F376 AromaticContact CE1-CD2 3.64Å; Y12-F376 HydrophobicContact CE1-CD2 3.64Å; Y12-F376 AromaticContact CE1-CG 3.93Å; Y12-F376 HydrophobicContact CE1-CG 3.93Å; Y12-F376 PolarHBondContact OH-N 3.07Å
13T98.6Very high96.4Very high67 Ų6757.6 Ų57.641%0.41129%0.293SS..Hα-helixtrans-61-43.8174.5-62.70000111E9 Y15 S16 T17E9-T13 WeakPolarHBondContact O-CB 3.39Å; E9-T13 PolarHBondContact O-N 3.2Å; E9-T13 PolarHBondContact O-OG1 3.43Å; T13-Y15 PolarHBondContact O-N 3.35Å; T13-S16 PolarHBondContact O-N 3.14Å; T13-S16 PolarHBondContact O-OG 2.95Å; T13-S16 VanDerWaalsContact O-OG 3.13Å; T13-T17 HydrophobicContact CG2-CG2 4.24Å; T13-T17 WeakPolarHBondContact O-CB 3.18Å; T13-T17 WeakPolarHBondContact O-CG2 3.42Å; T13-T17 PolarHBondContact O-N 2.85Å; T13-T17 PolarHBondContact O-OG1 3.01Å
14H98.4Very high96.4Very high23 Ų2357 Ų5711%0.10628%0.284CS..Hα-helixtrans-62.5-44.1174.8-173.1104.8000111.3L10 C11 Y12 S16 R18 V61 M64 W403L10-H14 VanDerWaalsContact O-CB 3.3Å; L10-H14 WeakPolarHBondContact O-CB 3.31Å; L10-H14 PolarHBondContact O-N 2.82Å; C11-H14 PolarHBondContact O-N 2.83Å; Y12-H14 VanDerWaalsContact C-N 3.34Å; Y12-H14 PolarHBondContact O-N 2.88Å; H14-S16 PolarHBondContact O-N 3.03Å; H14-R18 WeakPolarHBondContact O-CA 3.44Å; H14-R18 VanDerWaalsContact O-CB 3.27Å; H14-R18 WeakPolarHBondContact O-CB 3.33Å; H14-R18 PolarHBondContact O-N 2.81Å; H14-V61 HydrophobicContact CB-CB 4.4Å; H14-V61 HydrophobicContact CB-CG2 3.92Å; H14-M64 HydrophobicContact CB-CE 3.94Å; H14-W403 AromaticContact CE1-CE2 3.81Å; H14-W403 AromaticContact CE1-CH2 3.34Å; H14-W403 WeakPolarHBondContact CE1-CH2 3.41Å; H14-W403 AromaticContact CE1-CZ2 3.43Å; H14-W403 VanDerWaalsContact CE1-CZ2 3.43Å; H14-W403 WeakPolarHBondContact CE1-CZ2 3.46Å; H14-W403 AromaticContact CE1-CZ3 3.67Å; H14-W403 AromaticContact NE2-CD2 3.51Å; H14-W403 AromaticContact NE2-CE2 3.5Å; H14-W403 AromaticContact NE2-CE3 3.6Å; H14-W403 AromaticContact NE2-CH2 3.72Å; H14-W403 AromaticContact NE2-CZ2 3.64Å; H14-W403 AromaticContact NE2-CZ3 3.7Å
15Y98.4Very high96.2Very high1 Ų156.6 Ų56.60%0.00428%0.281CS..Hα-helixtrans-59.2-45.8176.9172.8-90.5000112.3C11 Y12 T13 L19 K24 L34 M64 T66 F376 E377 H378C11-Y15 WeakPolarHBondContact O-CB 3.38Å; C11-Y15 PolarHBondContact O-N 2.75Å; Y12-Y15 WeakPolarHBondContact O-CB 3.34Å; Y12-Y15 PolarHBondContact O-N 2.97Å; T13-Y15 PolarHBondContact O-N 3.35Å; Y15-L19 HydrophobicContact CD2-CD1 3.65Å; Y15-L19 HydrophobicContact CE2-CD1 4.18Å; Y15-L19 HydrophobicContact CG-CD1 4.45Å; Y15-L19 WeakPolarHBondContact O-CB 3.29Å; Y15-K24 HydrophobicContact CE1-CD 4.12Å; Y15-K24 HydrophobicContact CE2-CG 4.39Å; Y15-K24 WeakPolarHBondContact O-CE 3.12Å; Y15-K24 PolarHBondContact O-NZ 3.5Å; Y15-K24 WeakPolarHBondContact OH-CG 3.4Å; Y15-L34 HydrophobicContact CD2-CD1 3.81Å; Y15-L34 HydrophobicContact CD2-CD2 4.43Å; Y15-L34 HydrophobicContact CG-CD1 4.4Å; Y15-L34 HydrophobicContact CG-CD2 4.25Å; Y15-M64 HydrophobicContact CD2-SD 4.34Å; Y15-T66 HydrophobicContact CD2-CG2 4.14Å; Y15-T66 HydrophobicContact CE2-CG2 3.74Å; Y15-F376 AromaticContact CD1-CE2 3.72Å; Y15-F376 HydrophobicContact CD1-CE2 3.72Å; Y15-F376 HydrophobicContact CD1-CZ 4.2Å; Y15-F376 HydrophobicContact CD2-CE2 4.48Å; Y15-F376 HydrophobicContact CD2-CZ 4.42Å; Y15-F376 AromaticContact CE1-CE2 3.79Å; Y15-F376 HydrophobicContact CE1-CE2 3.79Å; Y15-F376 AromaticContact CE1-CZ 3.89Å; Y15-F376 HydrophobicContact CE1-CZ 3.89Å; Y15-F376 HydrophobicContact CE2-CZ 4.15Å; Y15-F376 HydrophobicContact CG-CE2 4.08Å; Y15-F376 HydrophobicContact CG-CZ 4.45Å; Y15-F376 AromaticContact CZ-CZ 3.83Å; Y15-E377 WeakPolarHBondContact CD1-OE1 3.45Å; Y15-E377 WeakPolarHBondContact CE1-OE1 3.15Å; Y15-H378 AromaticContact CE1-CE1 3.83Å; Y15-H378 AromaticContact CE1-ND1 3.32Å; Y15-H378 VanDerWaalsContact CE1-ND1 3.32Å; Y15-H378 WeakPolarHBondContact CE1-ND1 3.34Å; Y15-H378 AromaticContact CZ-ND1 3.63Å; Y15-H378 PolarHBondContact OH-ND1 3.29Å; Y15-H378 VanDerWaalsContact OH-ND1 3.12Å
16S96.7Very high95.9Very high56 Ų5657.6 Ų57.639%0.39229%0.286SS..Hα-helixtrans-73.7-41.7-175.962.30000112.3Y12 T13 H14 K24Y12-S16 PolarHBondContact O-N 2.91Å; Y12-S16 PolarHBondContact O-OG 3.14Å; T13-S16 PolarHBondContact O-N 3.14Å; T13-S16 PolarHBondContact O-OG 2.95Å; T13-S16 VanDerWaalsContact O-OG 3.13Å; H14-S16 PolarHBondContact O-N 3.03Å; S16-K24 PolarHBondContact O-NZ 2.94Å
17T95.7Very high95.4Very high98 Ų9857.3 Ų57.360%0.60129%0.291SS*.Hα-helixtrans-94.7-33.2-171.464.80000115T13T13-T17 HydrophobicContact CG2-CG2 4.24Å; T13-T17 WeakPolarHBondContact O-CB 3.18Å; T13-T17 WeakPolarHBondContact O-CG2 3.42Å; T13-T17 PolarHBondContact O-N 2.85Å; T13-T17 PolarHBondContact O-OG1 3.01Å
18R93.9Very high94.8Very high185 Ų18562.7 Ų62.770%0.69832%0.32SS*.Hα-helixtrans-98.6-25.4-174.7-61.4-65.5-168.3167.21.5113.5H14H14-R18 WeakPolarHBondContact O-CA 3.44Å; H14-R18 VanDerWaalsContact O-CB 3.27Å; H14-R18 WeakPolarHBondContact O-CB 3.33Å; H14-R18 PolarHBondContact O-N 2.81Å
19L94.2Very high94.4Very high9 Ų968.8 Ų68.85%0.04734%0.343CS..SBendtrans-91.6137178.5-53.2-170.9000111.8Y15 K24 M64 I401 W403 L411Y15-L19 HydrophobicContact CD2-CD1 3.65Å; Y15-L19 HydrophobicContact CE2-CD1 4.18Å; Y15-L19 HydrophobicContact CG-CD1 4.45Å; Y15-L19 WeakPolarHBondContact O-CB 3.29Å; L19-K24 PolarHBondContact O-NZ 3.42Å; L19-K24 VanDerWaalsContact O-NZ 3.15Å; L19-M64 HydrophobicContact CD1-CG 4.5Å; L19-M64 HydrophobicContact CD1-SD 3.54Å; L19-M64 VanDerWaalsContact CD1-SD 3.54Å; L19-M64 HydrophobicContact CD2-SD 4.48Å; L19-M64 HydrophobicContact CG-SD 4.14Å; L19-I401 HydrophobicContact CD1-CD1 4.42Å; L19-I401 HydrophobicContact CD1-CG2 4.08Å; L19-W403 HydrophobicContact CD2-CB 3.77Å; L19-W403 HydrophobicContact CD2-CG 3.79Å; L19-L411 HydrophobicContact CB-CD1 4.45Å; L19-L411 HydrophobicContact CD2-CD1 3.65Å
20P89.9Confident94.3Very high58 Ų5865.4 Ų65.438%0.37733%0.327SS..  trans-67.3166.7177.832.2-36000111.2Q22 K24 L411P20-Q22 PolarHBondContact O-N 3.35Å; P20-K24 VanDerWaalsContact O-CE 3.32Å; P20-K24 WeakPolarHBondContact O-CE 3.41Å; P20-L411 HydrophobicContact CG-CD1 3.9Å; P20-L411 HydrophobicContact CG-CD2 4.09Å
21K92.1Very high94.2Very high196 Ų19664.8 Ų64.885%0.85232%0.321SS*.SBendtrans-63.9-28.5173.8-64.7-173.5178.8-177.10112.5G23 K24K21-G23 PolarHBondContact O-N 3.36Å; K21-K24 WeakPolarHBondContact O-CB 3.27Å; K21-K24 PolarHBondContact O-N 2.9Å; K21-K24 VanDerWaalsContact O-N 3.12Å
22Q92.5Very high94.1Very high117 Ų11764.8 Ų64.855%0.54732%0.321SS..THydrogen-bonded Turntrans-61125.2-179.6-174.8176.613.800111.4P20 K24 V413 Q420P20-Q22 PolarHBondContact O-N 3.35Å; Q22-K24 VanDerWaalsContact C-N 3.28Å; Q22-K24 PolarHBondContact O-N 3.01Å; Q22-V413 HydrophobicContact CG-CG2 4.44Å; Q22-Q420 VanDerWaalsContact CG-OE1 3.3Å
23G92Very high94.1Very high8 Ų864.6 Ų64.68%0.08232%0.322CS..THydrogen-bonded Turntrans85-7.3-179.900000114.7K21K21-G23 PolarHBondContact O-N 3.36Å
24K95.8Very high94.1Very high40 Ų4061.4 Ų61.417%0.17430%0.302CS..SBendtrans-71.3148.2167.9-64.5-170173.7176.50109.2Y15 S16 L19 P20 K21 Q22 I401Y15-K24 HydrophobicContact CE1-CD 4.12Å; Y15-K24 HydrophobicContact CE2-CG 4.39Å; Y15-K24 WeakPolarHBondContact O-CE 3.12Å; Y15-K24 PolarHBondContact O-NZ 3.5Å; Y15-K24 WeakPolarHBondContact OH-CG 3.4Å; S16-K24 PolarHBondContact O-NZ 2.94Å; L19-K24 PolarHBondContact O-NZ 3.42Å; L19-K24 VanDerWaalsContact O-NZ 3.15Å; P20-K24 VanDerWaalsContact O-CE 3.32Å; P20-K24 WeakPolarHBondContact O-CE 3.41Å; K21-K24 WeakPolarHBondContact O-CB 3.27Å; K21-K24 PolarHBondContact O-N 2.9Å; K21-K24 VanDerWaalsContact O-N 3.12Å; Q22-K24 VanDerWaalsContact C-N 3.28Å; Q22-K24 PolarHBondContact O-N 3.01Å; K24-I401 HydrophobicContact CG-CD1 3.96Å
25P94.9Very high94.1Very high7 Ų760.3 Ų60.35%0.04530%0.297CS..PPolyproline II helixtrans-63.8150.4179.522.8-29.8000112.1P27 E30 T32 H378 C397P25-P27 WeakPolarHBondContact O-CD 3.47Å; P25-E30 HydrophobicContact CB-CB 3.49Å; P25-E30 VanDerWaalsContact CB-CB 3.49Å; P25-T32 HydrophobicContact CG-CG2 3.91Å; P25-H378 HydrophobicContact CG-CB 3.63Å; P25-C397 HydrophobicContact CB-CB 4.06Å
26D91.6Very high94.2Very high72 Ų7260.2 Ų60.239%0.38530%0.297SS..PPolyproline II helixtrans-61.9117.2162.7-179.8-12.9000109.9N28 R29 E30D26-N28 PolarHBondContact O-N 2.97Å; D26-N28 VanDerWaalsContact O-N 3.08Å; D26-N28 WeakPolarHBondContact OD1-CB 3.42Å; D26-N28 PolarHBondContact OD1-N 3.41Å; D26-R29 PolarHBondContact O-N 3.22Å; D26-R29 VanDerWaalsContact O-N 3.15Å; D26-E30 HydrophobicContact CB-CB 4.29Å; D26-E30 HydrophobicContact CB-CG 4.1Å; D26-E30 PolarHBondContact N-OE2 3.39Å; D26-E30 WeakPolarHBondContact O-CA 2.88Å; D26-E30 PolarHBondContact O-N 3.16Å
27P86.7Confident94.3Very high72 Ų7257.7 Ų57.747%0.46828%0.279SS..THydrogen-bonded Turntrans-62.7-19-176.527.1-36000113.5P25 Q387P25-P27 WeakPolarHBondContact O-CD 3.47Å; P27-Q387 PolarHBondContact O-NE2 2.68Å
28N87Confident94.4Very high113 Ų11353 Ų5360%0.60425%0.25SS*.THydrogen-bonded Turntrans-90.1-6.7-178.2-61.7-44.4000113.6D26 Q387D26-N28 PolarHBondContact O-N 2.97Å; D26-N28 VanDerWaalsContact O-N 3.08Å; D26-N28 WeakPolarHBondContact OD1-CB 3.42Å; D26-N28 PolarHBondContact OD1-N 3.41Å; N28-Q387 PolarHBondContact O-NE2 3.08Å
29R90.7Very high94.6Very high128 Ų12845.1 Ų45.148%0.48322%0.221SC..THydrogen-bonded Turntrans-153.1-29.5-172.4-172.6178.4172.5-141.32.6114.6D26 T392 L394 V395D26-R29 PolarHBondContact O-N 3.22Å; D26-R29 VanDerWaalsContact O-N 3.15Å; R29-T392 HydrophobicContact CB-CG2 4.36Å; R29-T392 HydrophobicContact CG-CG2 4.08Å; R29-L394 WeakPolarHBondContact O-CA 3.24Å; R29-V395 HydrophobicContact CG-CG2 4.16Å; R29-V395 PolarHBondContact O-N 3.15Å
30E95.3Very high94.8Very high46 Ų4644.9 Ų44.922%0.21522%0.219CC..EExtended strand (participates in β ladder)trans-107.3146.9-171.9-62-169.1144.700112.7P25 D26 V395 C397P25-E30 HydrophobicContact CB-CB 3.49Å; P25-E30 VanDerWaalsContact CB-CB 3.49Å; D26-E30 HydrophobicContact CB-CB 4.29Å; D26-E30 HydrophobicContact CB-CG 4.1Å; D26-E30 PolarHBondContact N-OE2 3.39Å; D26-E30 WeakPolarHBondContact O-CA 2.88Å; D26-E30 PolarHBondContact O-N 3.16Å; E30-V395 CarbonylContact C-O 3.46Å; E30-V395 WeakPolarHBondContact CA-O 3.32Å; E30-V395 HydrophobicContact CG-CG2 3.97Å; E30-C397 HydrophobicContact CB-CB 4.35Å; E30-C397 PolarHBondContact OE2-SG 2.92Å
31W96.6Very high95Very high37 Ų3744.4 Ų44.414%0.1421%0.212CC..EExtended strand (participates in β ladder)trans-128.7156.6169.960.8-88.8000110.3L33 T68 H378 R380 V395 P396 C397W31-L33 HydrophobicContact CZ3-CD2 4.27Å; W31-L33 HydrophobicContact CZ3-CG 4.2Å; W31-T68 HydrophobicContact CE3-CG2 4.25Å; W31-T68 HydrophobicContact CH2-CG2 4.2Å; W31-T68 HydrophobicContact CZ3-CG2 3.64Å; W31-H378 WeakPolarHBondContact CA-O 3.39Å; W31-R380 HydrophobicContact CB-CB 4.23Å; W31-R380 HydrophobicContact CD2-CB 3.79Å; W31-R380 HydrophobicContact CD2-CG 4.25Å; W31-R380 HydrophobicContact CE3-CB 4.07Å; W31-R380 HydrophobicContact CG-CB 3.84Å; W31-R380 HydrophobicContact CG-CG 4.16Å; W31-V395 VanDerWaalsContact CD1-O 3.23Å; W31-V395 PolarHBondContact N-O 3.26Å; W31-V395 VanDerWaalsContact N-O 3.07Å; W31-P396 HydrophobicContact CD2-CB 4.43Å; W31-P396 HydrophobicContact CH2-CB 4.17Å; W31-P396 HydrophobicContact CZ2-CB 3.73Å; W31-P396 HydrophobicContact CZ2-CG 4.26Å; W31-P396 CarbonylContact O-C 3.51Å; W31-P396 WeakPolarHBondContact O-CA 3.43Å; W31-C397 PolarHBondContact O-N 3.38Å
32T97.5Very high94.9Very high1 Ų137 Ų371%0.00619%0.185CC..  trans-140.8175.4175.5-160.40000110.9P25 T66 G67 F376 H378P25-T32 HydrophobicContact CG-CG2 3.91Å; T32-T66 HydrophobicContact CG2-CG2 4.47Å; T32-G67 PolarHBondContact OG1-N 3.48Å; T32-F376 HydrophobicContact CG2-CE1 3.93Å; T32-F376 HydrophobicContact CG2-CZ 4.29Å; T32-H378 HydrophobicContact CG2-CB 4.21Å; T32-H378 PolarHBondContact N-O 2.67Å; T32-H378 VanDerWaalsContact O-O 3.09Å
33L98Very high94.3Very high22 Ų2233.6 Ų33.612%0.11518%0.177CC..  trans-114.9155.5169.9-60.3-179.4000108.9W31 T66 G67 T68 A88 H139W31-L33 HydrophobicContact CZ3-CD2 4.27Å; W31-L33 HydrophobicContact CZ3-CG 4.2Å; L33-T66 WeakPolarHBondContact O-CA 3.49Å; L33-T66 VanDerWaalsContact O-CB 3.24Å; L33-T66 WeakPolarHBondContact O-CB 3.46Å; L33-G67 PolarHBondContact O-N 3.47Å; L33-T68 HydrophobicContact CB-CG2 4.26Å; L33-T68 HydrophobicContact CD1-CG2 4.12Å; L33-T68 HydrophobicContact CG-CG2 3.79Å; L33-A88 HydrophobicContact CB-CB 4.03Å; L33-A88 WeakPolarHBondContact O-CB 3.27Å; L33-H139 HydrophobicContact CD1-CB 4.38Å; L33-H139 HydrophobicContact CD2-CB 3.69Å
34L98.7Very high93.1Very high0 Ų037.8 Ų37.80%020%0.203CC..EExtended strand (participates in β ladder)trans-122.6141.5178.1177.368000109.4Y12 Y15 M64 T66 F136 S137 S138 F376Y12-L34 HydrophobicContact CD1-CD2 3.74Å; Y12-L34 HydrophobicContact CE1-CD2 4.08Å; Y15-L34 HydrophobicContact CD2-CD1 3.81Å; Y15-L34 HydrophobicContact CD2-CD2 4.43Å; Y15-L34 HydrophobicContact CG-CD1 4.4Å; Y15-L34 HydrophobicContact CG-CD2 4.25Å; L34-M64 HydrophobicContact CD1-CE 4.11Å; L34-M64 HydrophobicContact CD1-CG 3.52Å; L34-M64 HydrophobicContact CD1-SD 3.67Å; L34-T66 HydrophobicContact CD1-CG2 3.75Å; L34-F136 HydrophobicContact CD2-CE1 4.2Å; L34-F136 HydrophobicContact CG-CE1 4.44Å; L34-S137 CarbonylContact O-C 3.56Å; L34-S137 WeakPolarHBondContact O-CA 3.44Å; L34-S138 PolarHBondContact N-OG 2.74Å; L34-S138 PolarHBondContact O-N 2.91Å; L34-S138 PolarHBondContact O-OG 2.84Å; L34-F376 HydrophobicContact CB-CD1 4.25Å; L34-F376 HydrophobicContact CB-CD2 4.48Å; L34-F376 HydrophobicContact CB-CE1 3.89Å; L34-F376 HydrophobicContact CB-CE2 4.15Å; L34-F376 HydrophobicContact CB-CZ 3.84Å; L34-F376 HydrophobicContact CD2-CD2 4.14Å; L34-F376 HydrophobicContact CD2-CE2 3.85Å; L34-F376 HydrophobicContact CD2-CZ 4.32Å
35A98.9Very high91.2Very high0 Ų044.2 Ų44.20%023%0.234CC..EExtended strand (participates in β ladder)trans-141.6154.5166.200000109.9M64 G65 A88 E89 A92 F135 F136A35-M64 CarbonylContact O-C 3.57Å; A35-M64 WeakPolarHBondContact O-CA 3.37Å; A35-G65 PolarHBondContact N-O 2.95Å; A35-G65 PolarHBondContact O-N 3.17Å; A35-A88 HydrophobicContact CB-CB 3.98Å; A35-E89 HydrophobicContact CB-CB 4.43Å; A35-E89 HydrophobicContact CB-CG 4.26Å; A35-A92 HydrophobicContact CB-CB 3.88Å; A35-F135 HydrophobicContact CB-CE1 4.43Å; A35-F135 HydrophobicContact CB-CZ 4.06Å; A35-F136 CarbonylContact C-O 3.09Å; A35-F136 WeakPolarHBondContact CA-O 3.19Å; A35-F136 VanDerWaalsContact CB-O 3.32Å; A35-F136 WeakPolarHBondContact CB-O 3.49Å
36A98.9Very high89.1Confident0 Ų053.7 Ų53.70%027%0.274CS..EExtended strand (participates in β ladder)trans-151.7161.9-177.600000112.1C11 V61 A63 M64 F136C11-A36 HydrophobicContact CB-CB 4.37Å; A36-V61 HydrophobicContact CB-CG1 4.25Å; A36-A63 CarbonylContact C-O 3.53Å; A36-A63 WeakPolarHBondContact CA-O 3.44Å; A36-A63 WeakPolarHBondContact CB-O 3.43Å; A36-M64 HydrophobicContact CB-CB 4.41Å; A36-M64 HydrophobicContact CB-CE 4.3Å; A36-M64 HydrophobicContact CB-CG 4.49Å; A36-F136 HydrophobicContact CB-CB 4.47Å; A36-F136 HydrophobicContact CB-CD1 4.48Å; A36-F136 PolarHBondContact N-O 3.1Å; A36-F136 PolarHBondContact O-N 3.46Å
37V98.9Very high87Confident2 Ų258.4 Ų58.41%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-116.8124.5167.4-174.30000107.7V62 A63 F96 F133 I134 F135V37-V62 HydrophobicContact CB-CG2 4.13Å; V37-V62 HydrophobicContact CG1-CG2 4.02Å; V37-V62 WeakPolarHBondContact O-CG2 3.44Å; V37-V62 PolarHBondContact O-N 2.79Å; V37-A63 HydrophobicContact CB-CB 4.22Å; V37-A63 HydrophobicContact CG2-CB 4.35Å; V37-A63 PolarHBondContact N-O 3.24Å; V37-A63 PolarHBondContact O-N 3.28Å; V37-F96 HydrophobicContact CB-CB 4.48Å; V37-F96 HydrophobicContact CB-CD2 4.04Å; V37-F96 HydrophobicContact CB-CG 4.26Å; V37-F96 HydrophobicContact CG1-CD2 3.79Å; V37-F96 HydrophobicContact CG1-CE2 3.79Å; V37-F96 HydrophobicContact CG1-CG 4.18Å; V37-F96 HydrophobicContact CG1-CZ 4.17Å; V37-F96 HydrophobicContact CG2-CB 3.88Å; V37-F96 HydrophobicContact CG2-CD1 4.42Å; V37-F96 HydrophobicContact CG2-CD2 4.25Å; V37-F96 HydrophobicContact CG2-CG 3.94Å; V37-F133 HydrophobicContact CG1-CB 4.03Å; V37-F133 HydrophobicContact CG1-CD1 3.87Å; V37-F133 HydrophobicContact CG1-CG 4.25Å; V37-I134 WeakPolarHBondContact CA-O 3.24Å; V37-F135 HydrophobicContact CG2-CD2 3.94Å; V37-F135 HydrophobicContact CG2-CE2 4.31Å
38V98.8Very high85.2Confident0 Ų059.5 Ų59.50%030%0.299CS..EExtended strand (participates in β ladder)trans-108.2123.7178.3-171.40000108.7I7 L10 L40 K59 E60 V61 F133 I134I7-V38 HydrophobicContact CD1-CG1 4.2Å; I7-V38 HydrophobicContact CG2-CG2 4.12Å; L10-V38 HydrophobicContact CD2-CG1 3.66Å; V38-L40 HydrophobicContact CB-CD1 4.36Å; V38-L40 HydrophobicContact CG1-CD1 3.74Å; V38-K59 HydrophobicContact CG1-CB 4.47Å; V38-E60 CarbonylContact C-O 3.55Å; V38-E60 WeakPolarHBondContact CA-O 3.43Å; V38-E60 WeakPolarHBondContact CG1-O 3.31Å; V38-V61 HydrophobicContact CG2-CG2 4.39Å; V38-F133 WeakPolarHBondContact O-CA 3.32Å; V38-I134 HydrophobicContact CB-CB 4.49Å; V38-I134 PolarHBondContact N-O 3.44Å; V38-I134 PolarHBondContact O-N 3.23Å
39K98.4Very high83.3Confident19 Ų1964.1 Ų64.18%0.08332%0.316CS..EExtended strand (participates in β ladder)trans-82.7128.6170.2-176.4-167.363.3171.50108.7E41 K59 E60 V62 I115 I131 F133K39-E41 IonicContact NZ-OE2 3.55Å; K39-K59 WeakPolarHBondContact O-CA 3.16Å; K39-E60 WeakPolarHBondContact CE-OE2 3.46Å; K39-E60 PolarHBondContact N-O 3.19Å; K39-E60 IonicContact NZ-OE2 3.5Å; K39-E60 PolarHBondContact NZ-OE2 2.73Å; K39-E60 PolarHBondContact O-N 3.03Å; K39-V62 HydrophobicContact CB-CG1 3.59Å; K39-V62 HydrophobicContact CB-CG2 4.34Å; K39-V62 HydrophobicContact CD-CG1 4.42Å; K39-I115 HydrophobicContact CD-CG2 4.05Å; K39-I131 HydrophobicContact CD-CG2 4.27Å; K39-I131 HydrophobicContact CG-CG2 3.75Å; K39-F133 HydrophobicContact CB-CD1 4.08Å; K39-F133 HydrophobicContact CB-CE1 3.77Å; K39-F133 HydrophobicContact CG-CD1 4.43Å; K39-F133 HydrophobicContact CG-CE1 3.85Å; K39-F133 HydrophobicContact CG-CZ 4.49Å
40L97.1Very high81.2Confident4 Ų461.3 Ų61.32%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-111.1130.8167.2-86.664.5000108.6W2 I7 V38 V57 T58 K59 I131 I132 I134W2-L40 HydrophobicContact CB-CD2 4.24Å; W2-L40 HydrophobicContact CD2-CD2 4.13Å; W2-L40 HydrophobicContact CG-CD2 3.6Å; I7-L40 HydrophobicContact CD1-CD1 4.1Å; V38-L40 HydrophobicContact CB-CD1 4.36Å; V38-L40 HydrophobicContact CG1-CD1 3.74Å; L40-V57 HydrophobicContact CB-CG1 4.13Å; L40-V57 HydrophobicContact CD2-CG1 4.22Å; L40-V57 HydrophobicContact CG-CG1 4.09Å; L40-T58 VanDerWaalsContact CA-O 3.32Å; L40-T58 WeakPolarHBondContact CA-O 3.22Å; L40-K59 HydrophobicContact CD1-CG 4.3Å; L40-K59 HydrophobicContact CG-CG 4.12Å; L40-I131 VanDerWaalsContact O-CA 3.31Å; L40-I131 WeakPolarHBondContact O-CA 3.37Å; L40-I132 HydrophobicContact CB-CD1 4.3Å; L40-I132 HydrophobicContact CB-CG1 3.65Å; L40-I132 HydrophobicContact CD2-CD1 4.22Å; L40-I132 HydrophobicContact CD2-CG1 4.42Å; L40-I132 PolarHBondContact N-O 3.5Å; L40-I132 PolarHBondContact O-N 3.11Å; L40-I134 HydrophobicContact CD1-CD1 3.61Å; L40-I134 HydrophobicContact CD1-CG1 4.16Å; L40-I134 HydrophobicContact CD2-CD1 3.62Å; L40-I134 HydrophobicContact CG-CD1 4.26Å
41E94.7Very high79.1Confident49 Ų4964.2 Ų64.223%0.22935%0.346CS..EExtended strand (participates in β ladder)trans-129.2123.7178.9-177.6169.7-158.200109.8K39 V57 T58 N130 I131K39-E41 IonicContact NZ-OE2 3.55Å; E41-V57 WeakPolarHBondContact O-CA 3.39Å; E41-T58 WeakPolarHBondContact CB-OG1 3.43Å; E41-T58 PolarHBondContact N-O 2.86Å; E41-T58 PolarHBondContact O-N 3.03Å; E41-T58 PolarHBondContact O-OG1 2.9Å; E41-N130 WeakPolarHBondContact CA-O 3.24Å; E41-N130 WeakPolarHBondContact CG-ND2 3.16Å; E41-I131 HydrophobicContact CB-CG1 4.15Å; E41-I131 HydrophobicContact CG-CD1 4.49Å; E41-I131 HydrophobicContact CG-CG1 3.91Å
42S91.1Very high76.9Confident39 Ų3969.2 Ų69.227%0.27338%0.383SS..EExtended strand (participates in β ladder)trans-91.8141.2177.6-56.20000110.4N130S42-N130 PolarHBondContact N-O 3.15Å; S42-N130 PolarHBondContact O-ND2 3.14Å
43A79.6Confident74.6Confident46 Ų4672.3 Ų72.338%0.3842%0.415SS..PPolyproline II helixtrans-59.1140.8174.900000111.7R56A43-R56 PolarHBondContact N-O 3.39Å
44P67.1Low72.4Confident96 Ų9679 Ų7962%0.62345%0.451SS*.PPolyproline II helixtrans-65.4140.4176.524.7-30.6000111.1K46P44-K46 PolarHBondContact O-N 3.01Å
45Q54.4Low70.6Confident176 Ų17683.9 Ų83.982%0.82248%0.477SS*.G310 helixtrans-621.5-176-75.5-178.7-2000115.8E47Q45-E47 PolarHBondContact O-N 3.07Å
46K51Low69.4Low205 Ų20593.7 Ų93.789%0.89151%0.514SS*.G310 helixtrans-80.8-5.5-177.5-77.6-170.2175.1-175.60115.2P44P44-K46 PolarHBondContact O-N 3.01Å
47E47.8Very low68.9Low172 Ų17295.6 Ų95.680%0.80453%0.525SS*.G310 helixtrans-111.838.5177.5-67.8-168.6172.700113.5Q45Q45-E47 PolarHBondContact O-N 3.07Å
48V48.2Very low68.6Low95 Ų9598.8 Ų98.858%0.57655%0.545SS*.  trans-105.969.1175.2-166.70000110.5
49H47.3Very low68.5Low209 Ų209101.9 Ų101.997%0.96856%0.558SS**SBendtrans-10818.8148.5-80.9-54.4000111.6
50A47.1Very low68.5Low70 Ų70104.9 Ų104.958%0.57957%0.573SS**SBendtrans-125.7121.3172.900000110.1
51S51Low68.5Low107 Ų107105 Ų10575%0.74857%0.573SS**  trans25.4126.2163.4-50.30000119.6G53S51-G53 PolarHBondContact O-N 3.44Å
52P50.1Low68.7Low142 Ų142102.7 Ų102.792%0.92256%0.562SS**THydrogen-bonded Turntrans-70.2102.2173.829.8-30.3000109.3
53G48.8Very low69.1Low65 Ų65100.8 Ų100.867%0.6755%0.549SS*.THydrogen-bonded Turntrans-173.9-30.8178.200000119S51S51-G53 PolarHBondContact O-N 3.44Å
54N52.1Low70Confident162 Ų16298.7 Ų98.787%0.86653%0.532SS*.  trans-15091.4-176.9-95-28.4000112.9R56N54-R56 PolarHBondContact O-N 3.07Å
55L61.2Low71.5Confident104 Ų10494.1 Ų94.155%0.54550%0.502SS..  trans-63.9105.8163.1-162.376.3000107.8V57L55-V57 PolarHBondContact O-N 3.33Å; L55-V57 VanDerWaalsContact O-N 3.14Å
56R74.4Confident73.6Confident206 Ų20685.8 Ų85.878%0.77746%0.463SS*.  trans-68111.3-179.3-168.7176.7-178.9-178.30.3108.8A43 N54A43-R56 PolarHBondContact N-O 3.39Å; N54-R56 PolarHBondContact O-N 3.07Å
57V87.6Confident75.8Confident39 Ų3976 Ų7624%0.23642%0.421CS..EExtended strand (participates in β ladder)trans-100.2120.8173.6179.50000108.2L40 E41 L55L40-V57 HydrophobicContact CB-CG1 4.13Å; L40-V57 HydrophobicContact CD2-CG1 4.22Å; L40-V57 HydrophobicContact CG-CG1 4.09Å; E41-V57 WeakPolarHBondContact O-CA 3.39Å; L55-V57 PolarHBondContact O-N 3.33Å; L55-V57 VanDerWaalsContact O-N 3.14Å
58T93.8Very high78.1Confident69 Ų6968.8 Ų68.842%0.42339%0.388SS..EExtended strand (participates in β ladder)trans-85.3142.5172.362.10000109.4L40 E41L40-T58 VanDerWaalsContact CA-O 3.32Å; L40-T58 WeakPolarHBondContact CA-O 3.22Å; E41-T58 WeakPolarHBondContact CB-OG1 3.43Å; E41-T58 PolarHBondContact N-O 2.86Å; E41-T58 PolarHBondContact O-N 3.03Å; E41-T58 PolarHBondContact O-OG1 2.9Å
59K96.1Very high80.2Confident66 Ų6667 Ų6729%0.28737%0.373SS..EExtended strand (participates in β ladder)trans-126.1125.4-178.5-56.7173.1178.1134.40108.2E6 L10 V38 K39 L40E6-K59 IonicContact OE1-NZ 3.92Å; E6-K59 IonicContact OE2-NZ 3.88Å; E6-K59 PolarHBondContact OE2-NZ 3.36Å; L10-K59 HydrophobicContact CD2-CB 3.75Å; V38-K59 HydrophobicContact CG1-CB 4.47Å; K39-K59 WeakPolarHBondContact O-CA 3.16Å; L40-K59 HydrophobicContact CD1-CG 4.3Å; L40-K59 HydrophobicContact CG-CG 4.12Å
60E97.4Very high82.5Confident82 Ų8257.2 Ų57.238%0.38333%0.328SS..EExtended strand (participates in β ladder)trans-139.7127.7-175.8-174-174.3177.900110.5V38 K39 V62V38-E60 CarbonylContact C-O 3.55Å; V38-E60 WeakPolarHBondContact CA-O 3.43Å; V38-E60 WeakPolarHBondContact CG1-O 3.31Å; K39-E60 WeakPolarHBondContact CE-OE2 3.46Å; K39-E60 PolarHBondContact N-O 3.19Å; K39-E60 IonicContact NZ-OE2 3.5Å; K39-E60 PolarHBondContact NZ-OE2 2.73Å; K39-E60 PolarHBondContact O-N 3.03Å; E60-V62 HydrophobicContact CG-CG1 4.3Å; E60-V62 PolarHBondContact O-N 3.35Å
61V98.8Very high84.7Confident6 Ų654.1 Ų54.14%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-71.3117168.4-177.10000108.1L10 H14 A36 V38 M64 W403L10-V61 HydrophobicContact CD2-CG2 4.21Å; L10-V61 HydrophobicContact CG-CG2 3.84Å; H14-V61 HydrophobicContact CB-CB 4.4Å; H14-V61 HydrophobicContact CB-CG2 3.92Å; A36-V61 HydrophobicContact CB-CG1 4.25Å; V38-V61 HydrophobicContact CG2-CG2 4.39Å; V61-M64 HydrophobicContact CG1-CB 4.45Å; V61-M64 HydrophobicContact CG1-CE 4.16Å; V61-W403 HydrophobicContact CG1-CZ3 4.07Å; V61-W403 VanDerWaalsContact O-CH2 3.25Å; V61-W403 WeakPolarHBondContact O-CH2 2.96Å; V61-W403 WeakPolarHBondContact O-CZ3 3.28Å
62V98.7Very high86.7Confident0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-104.6-19-178.4-65.80000113.3V37 K39 E60 F96 Y99 F133 A405V37-V62 HydrophobicContact CB-CG2 4.13Å; V37-V62 HydrophobicContact CG1-CG2 4.02Å; V37-V62 WeakPolarHBondContact O-CG2 3.44Å; V37-V62 PolarHBondContact O-N 2.79Å; K39-V62 HydrophobicContact CB-CG1 3.59Å; K39-V62 HydrophobicContact CB-CG2 4.34Å; K39-V62 HydrophobicContact CD-CG1 4.42Å; E60-V62 HydrophobicContact CG-CG1 4.3Å; E60-V62 PolarHBondContact O-N 3.35Å; V62-F96 HydrophobicContact CG2-CD2 3.98Å; V62-F96 HydrophobicContact CG2-CE2 4Å; V62-Y99 HydrophobicContact CB-CD1 3.96Å; V62-Y99 HydrophobicContact CB-CD2 4.11Å; V62-Y99 HydrophobicContact CB-CE1 3.84Å; V62-Y99 HydrophobicContact CB-CE2 4Å; V62-Y99 HydrophobicContact CB-CG 4.09Å; V62-Y99 HydrophobicContact CG1-CE1 3.99Å; V62-Y99 HydrophobicContact CG1-CE2 3.96Å; V62-Y99 HydrophobicContact CG2-CD1 4.11Å; V62-Y99 HydrophobicContact CG2-CE1 4.05Å; V62-F133 HydrophobicContact CG2-CD1 4.37Å; V62-F133 HydrophobicContact CG2-CE1 4.17Å; V62-A405 HydrophobicContact CB-CB 4.33Å; V62-A405 WeakPolarHBondContact O-CB 3.31Å; V62-A405 PolarHBondContact O-N 3.11Å
63A98.8Very high88.6Confident0 Ų047.5 Ų47.50%025%0.247CC..EExtended strand (participates in β ladder)trans-152.6147.9174.500000110.9A36 V37 F96 W403A36-A63 CarbonylContact C-O 3.53Å; A36-A63 WeakPolarHBondContact CA-O 3.44Å; A36-A63 WeakPolarHBondContact CB-O 3.43Å; V37-A63 HydrophobicContact CB-CB 4.22Å; V37-A63 HydrophobicContact CG2-CB 4.35Å; V37-A63 PolarHBondContact N-O 3.24Å; V37-A63 PolarHBondContact O-N 3.28Å; A63-F96 HydrophobicContact CB-CB 3.74Å; A63-F96 HydrophobicContact CB-CD2 4.43Å; A63-W403 CarbonylContact C-O 3.53Å; A63-W403 WeakPolarHBondContact CA-O 3.41Å
64M98.8Very high90.6Very high1 Ų149.1 Ų49.11%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-147.1150.8179-178.1176.8-79.900110.7C11 H14 Y15 L19 L34 A35 A36 V61 S95 W403C11-M64 WeakPolarHBondContact O-CE 3.39Å; H14-M64 HydrophobicContact CB-CE 3.94Å; Y15-M64 HydrophobicContact CD2-SD 4.34Å; L19-M64 HydrophobicContact CD1-CG 4.5Å; L19-M64 HydrophobicContact CD1-SD 3.54Å; L19-M64 VanDerWaalsContact CD1-SD 3.54Å; L19-M64 HydrophobicContact CD2-SD 4.48Å; L19-M64 HydrophobicContact CG-SD 4.14Å; L34-M64 HydrophobicContact CD1-CE 4.11Å; L34-M64 HydrophobicContact CD1-CG 3.52Å; L34-M64 HydrophobicContact CD1-SD 3.67Å; A35-M64 CarbonylContact O-C 3.57Å; A35-M64 WeakPolarHBondContact O-CA 3.37Å; A36-M64 HydrophobicContact CB-CB 4.41Å; A36-M64 HydrophobicContact CB-CE 4.3Å; A36-M64 HydrophobicContact CB-CG 4.49Å; V61-M64 HydrophobicContact CG1-CB 4.45Å; V61-M64 HydrophobicContact CG1-CE 4.16Å; M64-S95 PolarHBondContact O-OG 3.17Å; M64-W403 HydrophobicContact CB-CB 4.28Å; M64-W403 HydrophobicContact CB-CE3 4.25Å; M64-W403 PolarHBondContact N-O 3.22Å; M64-W403 PolarHBondContact O-N 2.88Å
65G98.4Very high92.5Very high0 Ų046.1 Ų46.10%022%0.219CC..EExtended strand (participates in β ladder)trans-148.3142.8177.200000112.2A35 A88 I401A35-G65 PolarHBondContact N-O 2.95Å; A35-G65 PolarHBondContact O-N 3.17Å; G65-A88 WeakPolarHBondContact O-CB 3.46Å; G65-I401 CarbonylContact C-O 3.49Å; G65-I401 VanDerWaalsContact CA-O 3.23Å; G65-I401 WeakPolarHBondContact CA-O 3.44Å
66T98.6Very high94.1Very high1 Ų141.9 Ų41.91%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-119.9162.7165.566.60000111.7Y15 T32 L33 L34 A400 I401Y15-T66 HydrophobicContact CD2-CG2 4.14Å; Y15-T66 HydrophobicContact CE2-CG2 3.74Å; T32-T66 HydrophobicContact CG2-CG2 4.47Å; L33-T66 WeakPolarHBondContact O-CA 3.49Å; L33-T66 VanDerWaalsContact O-CB 3.24Å; L33-T66 WeakPolarHBondContact O-CB 3.46Å; L34-T66 HydrophobicContact CD1-CG2 3.75Å; T66-A400 WeakPolarHBondContact O-CA 3.44Å; T66-A400 WeakPolarHBondContact O-CB 3.38Å; T66-I401 PolarHBondContact N-O 2.97Å; T66-I401 WeakPolarHBondContact OG1-CB 3.34Å; T66-I401 PolarHBondContact OG1-N 3.37Å
67G97.2Very high95Very high1 Ų136 Ų361%0.0118%0.175CC..  trans128.5169.3169.100000114.4T32 L33 S86 H87 A88T32-G67 PolarHBondContact OG1-N 3.48Å; L33-G67 PolarHBondContact O-N 3.47Å; G67-S86 CarbonylContact C-O 3.6Å; G67-S86 VanDerWaalsContact CA-O 3.25Å; G67-S86 WeakPolarHBondContact CA-O 3.34Å; G67-H87 WeakPolarHBondContact O-CA 3.25Å; G67-A88 PolarHBondContact O-N 3.01Å
68T95.2Very high95.4Very high19 Ų1939.5 Ų39.512%0.11719%0.187CC..EExtended strand (participates in β ladder)trans-144.810.6-168.359.10000112.9W31 L33 S86 H87 P396W31-T68 HydrophobicContact CE3-CG2 4.25Å; W31-T68 HydrophobicContact CH2-CG2 4.2Å; W31-T68 HydrophobicContact CZ3-CG2 3.64Å; L33-T68 HydrophobicContact CB-CG2 4.26Å; L33-T68 HydrophobicContact CD1-CG2 4.12Å; L33-T68 HydrophobicContact CG-CG2 3.79Å; T68-S86 PolarHBondContact N-O 3.1Å; T68-H87 VanDerWaalsContact C-CD2 3.44Å; T68-H87 PolarHBondContact O-NE2 2.85Å; T68-P396 WeakPolarHBondContact OG1-CB 3.23Å
69K93.9Very high95.5Very high57 Ų5739.3 Ų39.325%0.24819%0.186CC..EExtended strand (participates in β ladder)trans-117.9148-167.1-61.9-58.9-177-179.70111.8S86 H87 R293 P396K69-S86 CarbonylContact O-C 3.51Å; K69-S86 VanDerWaalsContact O-C 3.26Å; K69-S86 VanDerWaalsContact O-CA 3.23Å; K69-S86 WeakPolarHBondContact O-CA 3.11Å; K69-S86 VanDerWaalsContact O-CB 3.3Å; K69-S86 WeakPolarHBondContact O-CB 3.45Å; K69-S86 PolarHBondContact O-N 3.49Å; K69-H87 PolarHBondContact O-N 2.98Å; K69-R293 HydrophobicContact CD-CG 4.44Å; K69-P396 VanDerWaalsContact CE-CG 3.46Å
70C94.5Very high95.5Very high4 Ų436.2 Ų36.23%0.02717%0.172CC..EExtended strand (participates in β ladder)trans-134.9138.1174.7-164.60000108.4N84 K290 R293 T297 S299C70-N84 PolarHBondContact SG-O 2.88Å; C70-K290 HydrophobicContact CB-CB 4.39Å; C70-K290 HydrophobicContact CB-CD 4.34Å; C70-R293 PolarHBondContact O-N 2.82Å; C70-T297 HydrophobicContact CB-CG2 4.41Å; C70-T297 PolarHBondContact SG-OG1 3.05Å; C70-S299 WeakPolarHBondContact SG-CB 3.5Å
71I94.2Very high95.5Very high6 Ų632.4 Ų32.43%0.03116%0.155CC..BIsolated β-bridgetrans-77.3150.1178.276-176.7000110.4K75 M76 V82 N84 T297I71-K75 HydrophobicContact CB-CB 4.16Å; I71-K75 HydrophobicContact CD1-CB 4.19Å; I71-K75 HydrophobicContact CG1-CB 4.36Å; I71-M76 HydrophobicContact CD1-CG 4.29Å; I71-M76 HydrophobicContact CG1-CG 4.45Å; I71-V82 HydrophobicContact CD1-CG1 4.11Å; I71-V82 HydrophobicContact CD1-CG2 3.85Å; I71-N84 HydrophobicContact CD1-CB 4.37Å; I71-N84 HydrophobicContact CG1-CB 4.37Å; I71-N84 PolarHBondContact N-O 2.82Å; I71-T297 WeakPolarHBondContact O-CB 3.41Å; I71-T297 PolarHBondContact O-OG1 3.46Å
72G92Very high95.4Very high0 Ų032.3 Ų32.30%015%0.154CC..  trans-71.3159.6171.400000112.1N74 K75 D295G72-N74 VanDerWaalsContact C-N 3.25Å; G72-N74 PolarHBondContact O-N 3.2Å; G72-K75 PolarHBondContact O-N 3.44Å; G72-D295 VanDerWaalsContact CA-O 3.22Å; G72-D295 WeakPolarHBondContact CA-O 3.11Å
73Q89.4Confident95.3Very high110 Ų11032.6 Ų32.651%0.51416%0.156SC..G310 helixtrans-57.3-37.6-177-172.1173.99.700112.8K75 M76 R296Q73-K75 PolarHBondContact O-N 3.47Å; Q73-K75 VanDerWaalsContact O-N 3.13Å; Q73-M76 HydrophobicContact CG-SD 4.48Å; Q73-M76 WeakPolarHBondContact O-CB 3.17Å; Q73-M76 PolarHBondContact O-N 3.03Å; Q73-M76 VanDerWaalsContact O-N 3.09Å; Q73-R296 WeakPolarHBondContact CB-O 3.4Å; Q73-R296 PolarHBondContact N-O 2.89Å
74N91Very high95.1Very high99 Ų9933.7 Ų33.753%0.52916%0.161SC..G310 helixtrans-60.5-19.8175.965.9-22.1000114.9G72 D295G72-N74 VanDerWaalsContact C-N 3.25Å; G72-N74 PolarHBondContact O-N 3.2Å; N74-D295 VanDerWaalsContact CB-OD2 3.22Å; N74-D295 WeakPolarHBondContact CB-OD2 3.32Å; N74-D295 PolarHBondContact ND2-OD2 3.48Å; N74-D295 PolarHBondContact OD1-OD2 3.38Å
75K92.6Very high95Very high99 Ų9933.9 Ų33.943%0.4316%0.163SC..G310 helixtrans-98.4-3.3179.4-69.6173.8-175.8169.20112.9I71 G72 Q73I71-K75 HydrophobicContact CB-CB 4.16Å; I71-K75 HydrophobicContact CD1-CB 4.19Å; I71-K75 HydrophobicContact CG1-CB 4.36Å; G72-K75 PolarHBondContact O-N 3.44Å; Q73-K75 PolarHBondContact O-N 3.47Å; Q73-K75 VanDerWaalsContact O-N 3.13Å
76M94.1Very high95Very high15 Ų1534.2 Ų34.27%0.07417%0.165CC..  trans-68145.8175.4-68.8-176.645.900110.9I71 Q73 S298 N497 Y501I71-M76 HydrophobicContact CD1-CG 4.29Å; I71-M76 HydrophobicContact CG1-CG 4.45Å; Q73-M76 HydrophobicContact CG-SD 4.48Å; Q73-M76 WeakPolarHBondContact O-CB 3.17Å; Q73-M76 PolarHBondContact O-N 3.03Å; Q73-M76 VanDerWaalsContact O-N 3.09Å; M76-S298 PolarHBondContact SD-OG 3.21Å; M76-S298 VanDerWaalsContact SD-OG 3.4Å; M76-N497 HydrophobicContact CE-CB 4.21Å; M76-Y501 HydrophobicContact CB-CD1 4.15Å; M76-Y501 HydrophobicContact CB-CE1 3.52Å; M76-Y501 HydrophobicContact CE-CD1 3.87Å; M76-Y501 HydrophobicContact CE-CD2 3.68Å; M76-Y501 HydrophobicContact CE-CE1 3.99Å; M76-Y501 HydrophobicContact CE-CE2 3.78Å; M76-Y501 HydrophobicContact CE-CG 3.71Å
77R94.8Very high95Very high82 Ų8235 Ų3531%0.30917%0.168SC..  trans-123.5138.7-177.7-67.2175.758.1104.2-5.1111.8T79 G80 D81 V82 I427R77-T79 VanDerWaalsContact C-N 3.25Å; R77-T79 PolarHBondContact O-N 2.74Å; R77-G80 PolarHBondContact O-N 3.35Å; R77-D81 WeakPolarHBondContact CB-OD1 3.5Å; R77-D81 VanDerWaalsContact CD-OD1 3.24Å; R77-D81 WeakPolarHBondContact CD-OD1 3.14Å; R77-D81 IonicContact CZ-OD1 3.04Å; R77-D81 IonicContact CZ-OD2 2.81Å; R77-D81 IonicContact NE-OD1 2.8Å; R77-D81 PolarHBondContact NE-OD1 2.93Å; R77-D81 IonicContact NE-OD2 2.68Å; R77-D81 PolarHBondContact NE-OD2 3.01Å; R77-D81 VanDerWaalsContact NE-OD2 3.09Å; R77-D81 IonicContact NH2-OD2 2.73Å; R77-D81 PolarHBondContact NH2-OD2 3.41Å; R77-V82 HydrophobicContact CB-CG1 3.89Å; R77-V82 HydrophobicContact CG-CG1 4.13Å; R77-I427 VanDerWaalsContact CZ-CG2 3.41Å
78K95.9Very high95Very high112 Ų11235 Ų3549%0.48717%0.168SC..THydrogen-bonded Turntrans-70.2-22.3-180-57.4-173.1-169.8-162.20112.8G80 E500 Y501 F504K78-G80 VanDerWaalsContact C-N 3.27Å; K78-G80 PolarHBondContact O-N 3.44Å; K78-E500 HydrophobicContact CD-CB 4.24Å; K78-E500 HydrophobicContact CD-CG 4.48Å; K78-E500 VanDerWaalsContact CE-CD 3.4Å; K78-E500 WeakPolarHBondContact CE-OE1 3.22Å; K78-E500 WeakPolarHBondContact CE-OE2 3.39Å; K78-E500 IonicContact NZ-OE1 3.37Å; K78-E500 PolarHBondContact NZ-OE1 3.05Å; K78-E500 IonicContact NZ-OE2 2.89Å; K78-E500 PolarHBondContact NZ-OE2 3.49Å; K78-Y501 HydrophobicContact CG-CD1 4.16Å; K78-Y501 HydrophobicContact CG-CE1 4.18Å; K78-F504 VanDerWaalsContact O-CD1 3.23Å; K78-F504 WeakPolarHBondContact O-CD1 3.32Å
79T95.8Very high95.2Very high66 Ų6634.1 Ų34.141%0.40516%0.163SC..THydrogen-bonded Turntrans-76.5-4.717951.50000114.6R77 D81R77-T79 VanDerWaalsContact C-N 3.25Å; R77-T79 PolarHBondContact O-N 2.74Å; T79-D81 PolarHBondContact O-N 2.98Å; T79-D81 VanDerWaalsContact O-N 3.1Å; T79-D81 PolarHBondContact OG1-OD1 3.18Å; T79-D81 PolarHBondContact OG1-OD2 2.97Å
80G96.3Very high95.4Very high1 Ų132 Ų321%0.0115%0.154CC..SBendtrans67.310.9178.200000115.6R77 K78 K438 V439R77-G80 PolarHBondContact O-N 3.35Å; K78-G80 VanDerWaalsContact C-N 3.27Å; K78-G80 PolarHBondContact O-N 3.44Å; G80-K438 PolarHBondContact O-N 3.44Å; G80-K438 VanDerWaalsContact O-N 3.09Å; G80-V439 PolarHBondContact O-N 2.89Å; G80-V439 VanDerWaalsContact O-N 3.08Å
81D96.5Very high95.6Very high2 Ų231.9 Ų31.91%0.01115%0.153CC..  trans-84-10.1-173.960.45.4000114.7R77 T79 R433 V439R77-D81 WeakPolarHBondContact CB-OD1 3.5Å; R77-D81 VanDerWaalsContact CD-OD1 3.24Å; R77-D81 WeakPolarHBondContact CD-OD1 3.14Å; R77-D81 IonicContact CZ-OD1 3.04Å; R77-D81 IonicContact CZ-OD2 2.81Å; R77-D81 IonicContact NE-OD1 2.8Å; R77-D81 PolarHBondContact NE-OD1 2.93Å; R77-D81 IonicContact NE-OD2 2.68Å; R77-D81 PolarHBondContact NE-OD2 3.01Å; R77-D81 VanDerWaalsContact NE-OD2 3.09Å; R77-D81 IonicContact NH2-OD2 2.73Å; R77-D81 PolarHBondContact NH2-OD2 3.41Å; T79-D81 PolarHBondContact O-N 2.98Å; T79-D81 VanDerWaalsContact O-N 3.1Å; T79-D81 PolarHBondContact OG1-OD1 3.18Å; T79-D81 PolarHBondContact OG1-OD2 2.97Å; D81-R433 HydrophobicContact CB-CG 4.01Å; D81-V439 HydrophobicContact CB-CG1 4.2Å
82V96.3Very high95.8Very high4 Ų431.6 Ų31.62%0.02415%0.152CC..SBendtrans-108.9141.3-179.669.20000111.7I71 R77 F418I71-V82 HydrophobicContact CD1-CG1 4.11Å; I71-V82 HydrophobicContact CD1-CG2 3.85Å; R77-V82 HydrophobicContact CB-CG1 3.89Å; R77-V82 HydrophobicContact CG-CG1 4.13Å; V82-F418 HydrophobicContact CB-CE1 3.84Å; V82-F418 HydrophobicContact CB-CZ 3.84Å; V82-F418 HydrophobicContact CG2-CD1 4.49Å; V82-F418 HydrophobicContact CG2-CD2 4.39Å; V82-F418 HydrophobicContact CG2-CE1 3.99Å; V82-F418 HydrophobicContact CG2-CE2 3.88Å; V82-F418 HydrophobicContact CG2-CZ 3.67Å
83L96.4Very high96.1Very high6 Ų633 Ų333%0.03116%0.157CC..  trans-83.6113.2169.9-176.566.3000109.9V91 G417 I436L83-V91 HydrophobicContact CD2-CG2 4.2Å; L83-G417 PolarHBondContact N-O 2.61Å; L83-G417 VanDerWaalsContact O-CA 3.28Å; L83-G417 WeakPolarHBondContact O-CA 3.43Å; L83-I436 HydrophobicContact CD1-CD1 4.48Å; L83-I436 HydrophobicContact CD2-CD1 3.99Å
84N95.8Very high96.6Very high22 Ų2229.5 Ų29.512%0.11814%0.14CC..SBendtrans-70.6-37.3-177.4-66.1-6.8000113C70 I71C70-N84 PolarHBondContact SG-O 2.88Å; I71-N84 HydrophobicContact CD1-CB 4.37Å; I71-N84 HydrophobicContact CG1-CB 4.37Å; I71-N84 PolarHBondContact N-O 2.82Å
85D97.2Very high97Very high6 Ų624.8 Ų24.83%0.03211%0.114CC..EExtended strand (participates in β ladder)trans-130.5113.3-171.4-171-19.6000109.7H87 I90 K290 S299 K305D85-H87 WeakPolarHBondContact OD1-CB 3.47Å; D85-H87 IonicContact OD1-CD2 3.85Å; D85-H87 IonicContact OD1-CG 2.68Å; D85-H87 PolarHBondContact OD1-N 3.1Å; D85-I90 HydrophobicContact CB-CG2 4.11Å; D85-K290 IonicContact OD1-NZ 3.12Å; D85-K290 PolarHBondContact OD1-NZ 2.98Å; D85-K290 WeakPolarHBondContact OD2-CD 3.33Å; D85-K290 VanDerWaalsContact OD2-CE 3.31Å; D85-K290 WeakPolarHBondContact OD2-CE 3.4Å; D85-K290 IonicContact OD2-NZ 3.52Å; D85-K290 PolarHBondContact OD2-NZ 3.37Å; D85-S299 PolarHBondContact OD2-OG 3.04Å; D85-K305 IonicContact OD2-NZ 2.88Å; D85-K305 PolarHBondContact OD2-NZ 3.13Å
86S97.3Very high97.3Very high7 Ų720.1 Ų20.15%0.0499%0.094CC..EExtended strand (participates in β ladder)trans-111.527.7-177.3-55.70000111.3G67 T68 K69G67-S86 CarbonylContact C-O 3.6Å; G67-S86 VanDerWaalsContact CA-O 3.25Å; G67-S86 WeakPolarHBondContact CA-O 3.34Å; T68-S86 PolarHBondContact N-O 3.1Å; K69-S86 CarbonylContact O-C 3.51Å; K69-S86 VanDerWaalsContact O-C 3.26Å; K69-S86 VanDerWaalsContact O-CA 3.23Å; K69-S86 WeakPolarHBondContact O-CA 3.11Å; K69-S86 VanDerWaalsContact O-CB 3.3Å; K69-S86 WeakPolarHBondContact O-CB 3.45Å; K69-S86 PolarHBondContact O-N 3.49Å
87H97.8Very high97.5Very high17 Ų1720.6 Ų20.68%0.07910%0.096CC..EExtended strand (participates in β ladder)trans-68.1142.5162.9-84-137.3000110.4G67 T68 K69 D85 E89 I90 V91 C142 K290G67-H87 WeakPolarHBondContact O-CA 3.25Å; T68-H87 VanDerWaalsContact C-CD2 3.44Å; T68-H87 PolarHBondContact O-NE2 2.85Å; K69-H87 PolarHBondContact O-N 2.98Å; D85-H87 WeakPolarHBondContact OD1-CB 3.47Å; D85-H87 IonicContact OD1-CD2 3.85Å; D85-H87 IonicContact OD1-CG 2.68Å; D85-H87 PolarHBondContact OD1-N 3.1Å; H87-E89 WeakPolarHBondContact CB-OE2 3.48Å; H87-E89 PolarHBondContact O-N 3.31Å; H87-E89 VanDerWaalsContact O-N 3.15Å; H87-I90 HydrophobicContact CB-CG1 4.19Å; H87-I90 PolarHBondContact O-N 2.95Å; H87-V91 WeakPolarHBondContact O-CG2 3.48Å; H87-V91 PolarHBondContact O-N 3.1Å; H87-C142 PolarHBondContact CE1-SG 2.93Å; H87-K290 PolarHBondContact ND1-NZ 3.33Å
88A98.5Very high97.7Very high0 Ų017.9 Ų17.90%09%0.086CC..Hα-helixtrans-47.4-46.4-177.100000112.9L33 A35 G65 G67 I90 V91 A92L33-A88 HydrophobicContact CB-CB 4.03Å; L33-A88 WeakPolarHBondContact O-CB 3.27Å; A35-A88 HydrophobicContact CB-CB 3.98Å; G65-A88 WeakPolarHBondContact O-CB 3.46Å; G67-A88 PolarHBondContact O-N 3.01Å; A88-I90 VanDerWaalsContact C-N 3.31Å; A88-I90 PolarHBondContact O-N 2.91Å; A88-V91 PolarHBondContact O-N 2.86Å; A88-A92 VanDerWaalsContact O-CB 3.3Å; A88-A92 WeakPolarHBondContact O-CB 3.36Å; A88-A92 PolarHBondContact O-N 3.34Å
89E98.6Very high97.8Very high2 Ų212.8 Ų12.81%0.0096%0.064CC..Hα-helixtrans-63-39.2-177.7-50.495.512500111.8A35 H87 K93 F135 P141 C302A35-E89 HydrophobicContact CB-CB 4.43Å; A35-E89 HydrophobicContact CB-CG 4.26Å; H87-E89 WeakPolarHBondContact CB-OE2 3.48Å; H87-E89 PolarHBondContact O-N 3.31Å; H87-E89 VanDerWaalsContact O-N 3.15Å; E89-K93 WeakPolarHBondContact O-CB 3.33Å; E89-K93 PolarHBondContact O-N 3.25Å; E89-F135 HydrophobicContact CB-CE1 4.26Å; E89-F135 HydrophobicContact CB-CZ 3.8Å; E89-F135 HydrophobicContact CG-CE1 4.27Å; E89-F135 HydrophobicContact CG-CZ 4.26Å; E89-P141 WeakPolarHBondContact OE1-CA 3.47Å; E89-C302 HydrophobicContact CG-CB 4.4Å; E89-C302 VanDerWaalsContact OE1-CB 3.28Å; E89-C302 WeakPolarHBondContact OE1-CB 3.45Å; E89-C302 PolarHBondContact OE1-SG 3.35Å; E89-C302 PolarHBondContact OE2-SG 3.45Å
90I98.6Very high97.9Very high13 Ų139.6 Ų9.67%0.0674%0.044CC..Hα-helixtrans-76.2-40.2-178.6-51.1-48.3000110.5D85 H87 A88 K93 R94 K305 W309D85-I90 HydrophobicContact CB-CG2 4.11Å; H87-I90 HydrophobicContact CB-CG1 4.19Å; H87-I90 PolarHBondContact O-N 2.95Å; A88-I90 VanDerWaalsContact C-N 3.31Å; A88-I90 PolarHBondContact O-N 2.91Å; I90-K93 PolarHBondContact O-N 3.07Å; I90-R94 VanDerWaalsContact O-CG 3.31Å; I90-R94 WeakPolarHBondContact O-CG 3.32Å; I90-R94 PolarHBondContact O-N 3.42Å; I90-K305 HydrophobicContact CD1-CB 4.27Å; I90-K305 HydrophobicContact CD1-CD 3.42Å; I90-K305 VanDerWaalsContact CD1-CD 3.42Å; I90-K305 HydrophobicContact CD1-CG 4.49Å; I90-K305 HydrophobicContact CG1-CD 4.29Å; I90-W309 HydrophobicContact CD1-CH2 3.78Å; I90-W309 HydrophobicContact CD1-CZ2 3.76Å
91V98.8Very high98Very high1 Ų110 Ų101%0.0065%0.046CC..Hα-helixtrans-61.3-49174.4176.40000110L83 H87 A88 K93 R94 S95 A400 I401 S402 I436L83-V91 HydrophobicContact CD2-CG2 4.2Å; H87-V91 WeakPolarHBondContact O-CG2 3.48Å; H87-V91 PolarHBondContact O-N 3.1Å; A88-V91 PolarHBondContact O-N 2.86Å; V91-K93 VanDerWaalsContact C-N 3.33Å; V91-K93 PolarHBondContact O-N 2.95Å; V91-R94 PolarHBondContact O-N 2.99Å; V91-R94 VanDerWaalsContact O-N 3.17Å; V91-S95 WeakPolarHBondContact O-CB 3.47Å; V91-S95 PolarHBondContact O-N 3.26Å; V91-S95 PolarHBondContact O-OG 2.79Å; V91-A400 HydrophobicContact CG2-CB 4.49Å; V91-I401 VanDerWaalsContact CG1-O 3.32Å; V91-I401 WeakPolarHBondContact CG1-O 3.45Å; V91-S402 VanDerWaalsContact CG1-CB 3.46Å; V91-I436 HydrophobicContact CB-CD1 4.41Å; V91-I436 HydrophobicContact CG1-CD1 3.81Å
92A98.8Very high98.1Very high0 Ų011.7 Ų11.70%05%0.054CC..Hα-helixtrans-58.7-43.417700000111.8A35 A88 R94 S95 F96 F135A35-A92 HydrophobicContact CB-CB 3.88Å; A88-A92 VanDerWaalsContact O-CB 3.3Å; A88-A92 WeakPolarHBondContact O-CB 3.36Å; A88-A92 PolarHBondContact O-N 3.34Å; A92-R94 PolarHBondContact O-N 2.85Å; A92-S95 WeakPolarHBondContact O-CB 3.47Å; A92-S95 PolarHBondContact O-N 3.02Å; A92-F96 WeakPolarHBondContact O-CB 3.3Å; A92-F96 PolarHBondContact O-N 3.3Å; A92-F135 HydrophobicContact CB-CE2 4.42Å
93K98.8Very high98.2Very high28 Ų2812.2 Ų12.212%0.1226%0.056CC..Hα-helixtrans-63.2-39.8176.4-176.5-96.6173.4-177.70112.9E89 I90 V91 F96 Q97 W309 C314E89-K93 WeakPolarHBondContact O-CB 3.33Å; E89-K93 PolarHBondContact O-N 3.25Å; I90-K93 PolarHBondContact O-N 3.07Å; V91-K93 VanDerWaalsContact C-N 3.33Å; V91-K93 PolarHBondContact O-N 2.95Å; K93-F96 WeakPolarHBondContact O-CB 3.35Å; K93-F96 PolarHBondContact O-N 3.03Å; K93-Q97 HydrophobicContact CD-CG 4.47Å; K93-Q97 WeakPolarHBondContact O-CG 3.45Å; K93-Q97 PolarHBondContact O-N 3.23Å; K93-W309 HydrophobicContact CB-CE3 4.48Å; K93-W309 HydrophobicContact CB-CH2 3.38Å; K93-W309 HydrophobicContact CB-CZ2 3.78Å; K93-W309 HydrophobicContact CB-CZ3 3.77Å; K93-W309 HydrophobicContact CD-CH2 4.36Å; K93-W309 HydrophobicContact CD-CZ2 3.85Å; K93-W309 HydrophobicContact CG-CD2 4.13Å; K93-W309 HydrophobicContact CG-CE3 4.13Å; K93-W309 HydrophobicContact CG-CH2 3.63Å; K93-W309 HydrophobicContact CG-CZ2 3.58Å; K93-W309 HydrophobicContact CG-CZ3 3.9Å; K93-C314 WeakPolarHBondContact CE-O 3.49Å; K93-C314 PolarHBondContact NZ-O 3.19Å
94R98.8Very high98.2Very high37 Ų3712 Ų1214%0.146%0.055CC..Hα-helixtrans-73.3-36.8178.5-66.117971.874.97.2111.8I90 V91 A92 F96 Q97 R98 I436 C437I90-R94 VanDerWaalsContact O-CG 3.31Å; I90-R94 WeakPolarHBondContact O-CG 3.32Å; I90-R94 PolarHBondContact O-N 3.42Å; V91-R94 PolarHBondContact O-N 2.99Å; V91-R94 VanDerWaalsContact O-N 3.17Å; A92-R94 PolarHBondContact O-N 2.85Å; R94-F96 VanDerWaalsContact C-N 3.26Å; R94-F96 PolarHBondContact O-N 2.79Å; R94-Q97 PolarHBondContact O-N 3.35Å; R94-R98 PolarHBondContact O-N 3.25Å; R94-I436 HydrophobicContact CB-CB 3.97Å; R94-I436 HydrophobicContact CB-CD1 4.08Å; R94-I436 HydrophobicContact CB-CG2 4.48Å; R94-I436 PolarHBondContact NE-O 2.91Å; R94-I436 PolarHBondContact NH2-O 3.48Å; R94-C437 PolarHBondContact NH2-O 3.49Å
95S98.8Very high98.3Very high0 Ų015.7 Ų15.70%07%0.067CC..Hα-helixtrans-58-40.3167-67.60000111.6M64 V91 A92 R98 Y99 W403 S404M64-S95 PolarHBondContact O-OG 3.17Å; V91-S95 WeakPolarHBondContact O-CB 3.47Å; V91-S95 PolarHBondContact O-N 3.26Å; V91-S95 PolarHBondContact O-OG 2.79Å; A92-S95 WeakPolarHBondContact O-CB 3.47Å; A92-S95 PolarHBondContact O-N 3.02Å; S95-R98 WeakPolarHBondContact O-CB 3.39Å; S95-R98 PolarHBondContact O-N 3.12Å; S95-Y99 PolarHBondContact O-N 3Å; S95-W403 WeakPolarHBondContact CB-O 3.29Å; S95-W403 PolarHBondContact OG-O 2.91Å; S95-S404 VanDerWaalsContact CA-OG 3.3Å; S95-S404 WeakPolarHBondContact CA-OG 3.48Å; S95-S404 WeakPolarHBondContact CB-OG 3.4Å; S95-S404 PolarHBondContact O-OG 3.17Å; S95-S404 VanDerWaalsContact O-OG 3.1Å
96F98.9Very high98.2Very high1 Ų116 Ų160%0.0047%0.069CC..Hα-helixtrans-65.6-41.1176-176.9-124000112.1V37 V62 A63 A92 K93 R94 R98 Y99 L100 F133 C314 V327V37-F96 HydrophobicContact CB-CB 4.48Å; V37-F96 HydrophobicContact CB-CD2 4.04Å; V37-F96 HydrophobicContact CB-CG 4.26Å; V37-F96 HydrophobicContact CG1-CD2 3.79Å; V37-F96 HydrophobicContact CG1-CE2 3.79Å; V37-F96 HydrophobicContact CG1-CG 4.18Å; V37-F96 HydrophobicContact CG1-CZ 4.17Å; V37-F96 HydrophobicContact CG2-CB 3.88Å; V37-F96 HydrophobicContact CG2-CD1 4.42Å; V37-F96 HydrophobicContact CG2-CD2 4.25Å; V37-F96 HydrophobicContact CG2-CG 3.94Å; V62-F96 HydrophobicContact CG2-CD2 3.98Å; V62-F96 HydrophobicContact CG2-CE2 4Å; A63-F96 HydrophobicContact CB-CB 3.74Å; A63-F96 HydrophobicContact CB-CD2 4.43Å; A92-F96 WeakPolarHBondContact O-CB 3.3Å; A92-F96 PolarHBondContact O-N 3.3Å; K93-F96 WeakPolarHBondContact O-CB 3.35Å; K93-F96 PolarHBondContact O-N 3.03Å; R94-F96 VanDerWaalsContact C-N 3.26Å; R94-F96 PolarHBondContact O-N 2.79Å; F96-R98 VanDerWaalsContact C-N 3.26Å; F96-R98 PolarHBondContact O-N 3.17Å; F96-Y99 AromaticContact CD2-CD1 3.9Å; F96-Y99 HydrophobicContact CD2-CD1 3.9Å; F96-Y99 AromaticContact CE2-CD1 3.81Å; F96-Y99 HydrophobicContact CE2-CD1 3.81Å; F96-Y99 HydrophobicContact CE2-CE1 4.23Å; F96-Y99 WeakPolarHBondContact O-CB 3.34Å; F96-Y99 PolarHBondContact O-N 3.35Å; F96-Y99 VanDerWaalsContact O-N 3.14Å; F96-L100 HydrophobicContact CD1-CD1 4.05Å; F96-L100 HydrophobicContact CD1-CG 4.37Å; F96-L100 HydrophobicContact CD2-CG 4.4Å; F96-L100 HydrophobicContact CE1-CD1 3.68Å; F96-L100 HydrophobicContact CE1-CD2 4.29Å; F96-L100 HydrophobicContact CE1-CG 4.09Å; F96-L100 HydrophobicContact CE2-CD2 3.86Å; F96-L100 HydrophobicContact CE2-CG 4.1Å; F96-L100 HydrophobicContact CZ-CD1 3.97Å; F96-L100 HydrophobicContact CZ-CD2 3.7Å; F96-L100 HydrophobicContact CZ-CG 3.94Å; F96-L100 WeakPolarHBondContact O-CG 3.34Å; F96-L100 PolarHBondContact O-N 3.5Å; F96-F133 AromaticContact CE2-CD1 3.79Å; F96-F133 HydrophobicContact CE2-CD1 3.79Å; F96-F133 AromaticContact CE2-CE1 3.63Å; F96-F133 HydrophobicContact CE2-CE1 3.63Å; F96-F133 HydrophobicContact CE2-CE2 4.38Å; F96-F133 HydrophobicContact CE2-CG 4.25Å; F96-F133 AromaticContact CE2-CZ 3.95Å; F96-F133 HydrophobicContact CE2-CZ 3.95Å; F96-F133 AromaticContact CZ-CD1 3.86Å; F96-F133 HydrophobicContact CZ-CD1 3.86Å; F96-F133 AromaticContact CZ-CD2 3.82Å; F96-F133 HydrophobicContact CZ-CD2 3.82Å; F96-F133 AromaticContact CZ-CE1 3.89Å; F96-F133 HydrophobicContact CZ-CE1 3.89Å; F96-F133 AromaticContact CZ-CE2 3.85Å; F96-F133 HydrophobicContact CZ-CE2 3.85Å; F96-F133 AromaticContact CZ-CG 3.83Å; F96-F133 HydrophobicContact CZ-CG 3.83Å; F96-F133 AromaticContact CZ-CZ 3.88Å; F96-F133 HydrophobicContact CZ-CZ 3.88Å; F96-C314 HydrophobicContact CD1-CB 3.93Å; F96-C314 HydrophobicContact CE1-CB 3.91Å; F96-V327 HydrophobicContact CE1-CG1 4.04Å; F96-V327 HydrophobicContact CZ-CG1 3.98Å
97Q98.8Very high98.1Very high25 Ų2516 Ų1612%0.1177%0.069CC..Hα-helixtrans-60.5-36.7172.6-68179.9-74.200112.5K93 R94 L100 L101 Q315 L319K93-Q97 HydrophobicContact CD-CG 4.47Å; K93-Q97 WeakPolarHBondContact O-CG 3.45Å; K93-Q97 PolarHBondContact O-N 3.23Å; R94-Q97 PolarHBondContact O-N 3.35Å; Q97-L100 PolarHBondContact O-N 3.37Å; Q97-L101 WeakPolarHBondContact O-CG 3.28Å; Q97-L101 PolarHBondContact O-N 3.37Å; Q97-Q315 PolarHBondContact NE2-O 2.98Å; Q97-L319 HydrophobicContact CB-CD1 4.3Å
98R98.6Very high97.8Very high26 Ų2616.1 Ų16.110%0.0987%0.073CC..Hα-helixtrans-64.9-42.5173.9-174.3179.6173.2-141.7-0.7111.8R94 S95 F96 L101 H102 E408 R409 P410 L441R94-R98 PolarHBondContact O-N 3.25Å; S95-R98 WeakPolarHBondContact O-CB 3.39Å; S95-R98 PolarHBondContact O-N 3.12Å; F96-R98 VanDerWaalsContact C-N 3.26Å; F96-R98 PolarHBondContact O-N 3.17Å; R98-L101 PolarHBondContact O-N 3.26Å; R98-H102 PolarHBondContact O-N 3.33Å; R98-H102 VanDerWaalsContact O-N 3.1Å; R98-E408 PolarHBondContact NH2-O 2.92Å; R98-R409 VanDerWaalsContact CZ-O 3.29Å; R98-R409 PolarHBondContact NH1-O 3.08Å; R98-R409 PolarHBondContact NH2-O 3.3Å; R98-P410 PolarHBondContact NH1-O 3.31Å; R98-L441 HydrophobicContact CB-CD2 3.89Å; R98-L441 HydrophobicContact CG-CD2 4.39Å
99Y98.7Very high97.5Very high4 Ų418.4 Ų18.42%0.0169%0.089CC..Hα-helixtrans-59-47.9171.7169.3-103.2000111.6V62 S95 F96 L101 H102 Q103 I115 F133 A405V62-Y99 HydrophobicContact CB-CD1 3.96Å; V62-Y99 HydrophobicContact CB-CD2 4.11Å; V62-Y99 HydrophobicContact CB-CE1 3.84Å; V62-Y99 HydrophobicContact CB-CE2 4Å; V62-Y99 HydrophobicContact CB-CG 4.09Å; V62-Y99 HydrophobicContact CG1-CE1 3.99Å; V62-Y99 HydrophobicContact CG1-CE2 3.96Å; V62-Y99 HydrophobicContact CG2-CD1 4.11Å; V62-Y99 HydrophobicContact CG2-CE1 4.05Å; S95-Y99 PolarHBondContact O-N 3Å; F96-Y99 AromaticContact CD2-CD1 3.9Å; F96-Y99 HydrophobicContact CD2-CD1 3.9Å; F96-Y99 AromaticContact CE2-CD1 3.81Å; F96-Y99 HydrophobicContact CE2-CD1 3.81Å; F96-Y99 HydrophobicContact CE2-CE1 4.23Å; F96-Y99 WeakPolarHBondContact O-CB 3.34Å; F96-Y99 PolarHBondContact O-N 3.35Å; F96-Y99 VanDerWaalsContact O-N 3.14Å; Y99-L101 PolarHBondContact O-N 3.32Å; Y99-H102 WeakPolarHBondContact O-CB 3.47Å; Y99-H102 PolarHBondContact O-N 2.88Å; Y99-H102 VanDerWaalsContact O-N 3.15Å; Y99-Q103 HydrophobicContact CD1-CG 4.23Å; Y99-Q103 HydrophobicContact CD2-CG 4.14Å; Y99-Q103 HydrophobicContact CE1-CG 3.8Å; Y99-Q103 HydrophobicContact CE2-CG 3.7Å; Y99-Q103 HydrophobicContact CG-CG 4.39Å; Y99-Q103 WeakPolarHBondContact O-CG 3.14Å; Y99-Q103 PolarHBondContact O-N 3.36Å; Y99-I115 HydrophobicContact CE1-CD1 3.87Å; Y99-I115 WeakPolarHBondContact OH-CG2 3.35Å; Y99-F133 HydrophobicContact CE1-CE1 4.36Å; Y99-A405 HydrophobicContact CD2-CB 3.9Å; Y99-A405 WeakPolarHBondContact CD2-O 3.03Å; Y99-A405 HydrophobicContact CE2-CB 4.08Å
100L98.8Very high96.7Very high0 Ų026.8 Ų26.80%012%0.122CC..Hα-helixtrans-62.1-39.6178.3-66.6-178.2000112.7F96 Q97 H102 Q103 M104 I115 F116 Q315 L319 V327F96-L100 HydrophobicContact CD1-CD1 4.05Å; F96-L100 HydrophobicContact CD1-CG 4.37Å; F96-L100 HydrophobicContact CD2-CG 4.4Å; F96-L100 HydrophobicContact CE1-CD1 3.68Å; F96-L100 HydrophobicContact CE1-CD2 4.29Å; F96-L100 HydrophobicContact CE1-CG 4.09Å; F96-L100 HydrophobicContact CE2-CD2 3.86Å; F96-L100 HydrophobicContact CE2-CG 4.1Å; F96-L100 HydrophobicContact CZ-CD1 3.97Å; F96-L100 HydrophobicContact CZ-CD2 3.7Å; F96-L100 HydrophobicContact CZ-CG 3.94Å; F96-L100 WeakPolarHBondContact O-CG 3.34Å; F96-L100 PolarHBondContact O-N 3.5Å; Q97-L100 PolarHBondContact O-N 3.37Å; L100-H102 VanDerWaalsContact C-N 3.33Å; L100-H102 PolarHBondContact O-N 2.85Å; L100-Q103 PolarHBondContact O-N 2.85Å; L100-M104 WeakPolarHBondContact O-CB 3.5Å; L100-M104 PolarHBondContact O-N 2.82Å; L100-I115 HydrophobicContact CD2-CD1 3.89Å; L100-F116 HydrophobicContact CD2-CE2 4.47Å; L100-F116 HydrophobicContact CD2-CZ 3.99Å; L100-Q315 HydrophobicContact CD1-CB 4.14Å; L100-L319 HydrophobicContact CB-CD1 3.62Å; L100-L319 HydrophobicContact CB-CD2 4.37Å; L100-L319 HydrophobicContact CD1-CD1 4.06Å; L100-V327 HydrophobicContact CD1-CB 4.47Å; L100-V327 HydrophobicContact CD1-CG2 4.42Å
101L98.3Very high95.6Very high8 Ų830.3 Ų30.34%0.04214%0.138CC..Hα-helixtrans-60.4-43.4173.4-80.8167.1000111.7Q97 R98 Y99 M104 W105 L319 L441 T444 F445 L448Q97-L101 WeakPolarHBondContact O-CG 3.28Å; Q97-L101 PolarHBondContact O-N 3.37Å; R98-L101 PolarHBondContact O-N 3.26Å; Y99-L101 PolarHBondContact O-N 3.32Å; L101-M104 PolarHBondContact O-N 3.25Å; L101-W105 PolarHBondContact O-N 3.21Å; L101-L319 HydrophobicContact CD2-CD2 3.63Å; L101-L319 HydrophobicContact CD2-CG 4.12Å; L101-L319 HydrophobicContact CG-CD1 4.34Å; L101-L319 HydrophobicContact CG-CD2 3.86Å; L101-L319 HydrophobicContact CG-CG 4.18Å; L101-L441 HydrophobicContact CD1-CD2 4.26Å; L101-T444 HydrophobicContact CB-CG2 4.21Å; L101-T444 HydrophobicContact CD1-CG2 4.16Å; L101-F445 HydrophobicContact CD2-CB 3.98Å; L101-F445 HydrophobicContact CD2-CD2 4.07Å; L101-L448 HydrophobicContact CD2-CD2 4.34Å
102H97.8Very high94.4Very high39 Ų3939.4 Ų39.418%0.18118%0.18CC..Hα-helixtrans-64-44.9175.6175.953.6000111.7R98 Y99 L100 M104 W105 L106 V406 P407R98-H102 PolarHBondContact O-N 3.33Å; R98-H102 VanDerWaalsContact O-N 3.1Å; Y99-H102 WeakPolarHBondContact O-CB 3.47Å; Y99-H102 PolarHBondContact O-N 2.88Å; Y99-H102 VanDerWaalsContact O-N 3.15Å; L100-H102 VanDerWaalsContact C-N 3.33Å; L100-H102 PolarHBondContact O-N 2.85Å; H102-M104 VanDerWaalsContact C-N 3.29Å; H102-M104 PolarHBondContact O-N 3.26Å; H102-W105 WeakPolarHBondContact O-CB 3.4Å; H102-W105 PolarHBondContact O-N 3.25Å; H102-W105 VanDerWaalsContact O-N 3.13Å; H102-L106 WeakPolarHBondContact O-CG 3.48Å; H102-L106 PolarHBondContact O-N 3.36Å; H102-V406 HydrophobicContact CB-CB 4.44Å; H102-V406 HydrophobicContact CB-CG1 3.61Å; H102-P407 VanDerWaalsContact CE1-CD 3.49Å; H102-P407 WeakPolarHBondContact CE1-CD 3.47Å; H102-P407 WeakPolarHBondContact NE2-CD 3.11Å
103Q98.2Very high93.7Very high15 Ų1544.4 Ų44.47%0.0721%0.214CC..Hα-helixtrans-62.5-35.7176.7-70.1-61.9-46.900112.9Y99 L100 L106 A107 S114 I115 F116Y99-Q103 HydrophobicContact CD1-CG 4.23Å; Y99-Q103 HydrophobicContact CD2-CG 4.14Å; Y99-Q103 HydrophobicContact CE1-CG 3.8Å; Y99-Q103 HydrophobicContact CE2-CG 3.7Å; Y99-Q103 HydrophobicContact CG-CG 4.39Å; Y99-Q103 WeakPolarHBondContact O-CG 3.14Å; Y99-Q103 PolarHBondContact O-N 3.36Å; L100-Q103 PolarHBondContact O-N 2.85Å; Q103-L106 PolarHBondContact O-N 2.87Å; Q103-A107 PolarHBondContact O-N 3.49Å; Q103-S114 PolarHBondContact O-OG 3.39Å; Q103-I115 HydrophobicContact CB-CD1 4.06Å; Q103-I115 HydrophobicContact CB-CG1 3.73Å; Q103-I115 HydrophobicContact CG-CD1 3.89Å; Q103-I115 HydrophobicContact CG-CG1 3.78Å; Q103-F116 HydrophobicContact CB-CD2 4.01Å; Q103-F116 HydrophobicContact CB-CE2 3.83Å
104M97.6Very high93.5Very high0 Ų043.2 Ų43.20%021%0.21CC..Hα-helixtrans-66.7-39.7173.8-168.162.267.400111.5L100 L101 H102 A107 A108 F116 W125 F322 L323 L448L100-M104 WeakPolarHBondContact O-CB 3.5Å; L100-M104 PolarHBondContact O-N 2.82Å; L101-M104 PolarHBondContact O-N 3.25Å; H102-M104 VanDerWaalsContact C-N 3.29Å; H102-M104 PolarHBondContact O-N 3.26Å; M104-A107 WeakPolarHBondContact O-CB 3.39Å; M104-A107 PolarHBondContact O-N 3.05Å; M104-A108 WeakPolarHBondContact O-CB 3.37Å; M104-A108 PolarHBondContact O-N 2.87Å; M104-F116 HydrophobicContact CB-CE2 4.45Å; M104-F116 HydrophobicContact CE-CD1 4.5Å; M104-F116 HydrophobicContact CE-CD2 3.92Å; M104-F116 HydrophobicContact CE-CE1 4.42Å; M104-F116 HydrophobicContact CE-CE2 3.79Å; M104-F116 HydrophobicContact CE-CG 4.27Å; M104-F116 HydrophobicContact CE-CZ 4.05Å; M104-F116 HydrophobicContact SD-CD2 4.36Å; M104-W125 HydrophobicContact CE-CB 4.1Å; M104-W125 HydrophobicContact CE-CG 4.37Å; M104-W125 HydrophobicContact SD-CB 3.99Å; M104-W125 HydrophobicContact SD-CD2 4.32Å; M104-W125 HydrophobicContact SD-CG 3.61Å; M104-F322 HydrophobicContact CE-CB 3.66Å; M104-F322 HydrophobicContact CG-CB 4.1Å; M104-F322 HydrophobicContact CG-CD2 4.26Å; M104-F322 HydrophobicContact CG-CG 4.17Å; M104-F322 HydrophobicContact SD-CB 3.73Å; M104-F322 HydrophobicContact SD-CG 4.35Å; M104-L323 HydrophobicContact CE-CD2 3.63Å; M104-L323 HydrophobicContact CE-CG 4.01Å; M104-L448 HydrophobicContact CB-CD2 3.9Å; M104-L448 HydrophobicContact CG-CD2 3.61Å
105W96.1Very high93.4Very high101 Ų10141.7 Ų41.738%0.38320%0.204SC..Hα-helixtrans-62.1-41.9173.6-177.985.8000112.5L101 H102 A107 A108 S109 L448L101-W105 PolarHBondContact O-N 3.21Å; H102-W105 WeakPolarHBondContact O-CB 3.4Å; H102-W105 PolarHBondContact O-N 3.25Å; H102-W105 VanDerWaalsContact O-N 3.13Å; W105-A107 VanDerWaalsContact C-N 3.3Å; W105-A107 PolarHBondContact O-N 3.14Å; W105-A108 PolarHBondContact O-N 2.85Å; W105-S109 WeakPolarHBondContact O-CB 3.17Å; W105-S109 PolarHBondContact O-N 3.13Å; W105-S109 PolarHBondContact O-OG 3.43Å; W105-L448 HydrophobicContact CB-CD1 4Å; W105-L448 HydrophobicContact CG-CD1 4.47Å
106L96.1Very high93.4Very high13 Ų1342 Ų427%0.06821%0.206CC..Hα-helixtrans-59.7-42.3173-64175.6000111.3H102 Q103 S109 Y110 Q111H102-L106 WeakPolarHBondContact O-CG 3.48Å; H102-L106 PolarHBondContact O-N 3.36Å; Q103-L106 PolarHBondContact O-N 2.87Å; L106-S109 PolarHBondContact O-N 2.96Å; L106-Y110 PolarHBondContact O-N 3.4Å; L106-Q111 HydrophobicContact CB-CB 4.3Å; L106-Q111 HydrophobicContact CD2-CB 4.3Å; L106-Q111 WeakPolarHBondContact O-CB 3.43Å; L106-Q111 PolarHBondContact O-N 3.27Å
107A95.1Very high93.2Very high5 Ų545.1 Ų45.14%0.04122%0.222CC..Hα-helixtrans-64-50.5178.900000111.5Q103 M104 W105 S109 Y110 S114 F116 W125Q103-A107 PolarHBondContact O-N 3.49Å; M104-A107 WeakPolarHBondContact O-CB 3.39Å; M104-A107 PolarHBondContact O-N 3.05Å; W105-A107 VanDerWaalsContact C-N 3.3Å; W105-A107 PolarHBondContact O-N 3.14Å; A107-S109 PolarHBondContact O-N 2.78Å; A107-Y110 PolarHBondContact O-N 3.25Å; A107-S114 WeakPolarHBondContact CB-OG 3.36Å; A107-F116 HydrophobicContact CB-CB 4.03Å; A107-W125 VanDerWaalsContact C-CH2 3.47Å; A107-W125 HydrophobicContact CB-CD2 3.98Å; A107-W125 HydrophobicContact CB-CE3 3.66Å; A107-W125 HydrophobicContact CB-CH2 3.96Å; A107-W125 HydrophobicContact CB-CZ2 4.24Å; A107-W125 HydrophobicContact CB-CZ3 3.65Å; A107-W125 WeakPolarHBondContact O-CH2 3.22Å
108A92.2Very high93.1Very high21 Ų2148.3 Ų48.317%0.17424%0.244CC..Hα-helixtrans-62-30178.800000113.2M104 W105 Y110 L448 I452M104-A108 WeakPolarHBondContact O-CB 3.37Å; M104-A108 PolarHBondContact O-N 2.87Å; W105-A108 PolarHBondContact O-N 2.85Å; A108-Y110 VanDerWaalsContact C-N 3.27Å; A108-Y110 PolarHBondContact O-N 3.24Å; A108-L448 HydrophobicContact CB-CD1 4.11Å; A108-I452 HydrophobicContact CB-CD1 3.84Å; A108-I452 HydrophobicContact CB-CG1 3.83Å
109S90.8Very high92.9Very high48 Ų4848.1 Ų48.134%0.33625%0.25SS..THydrogen-bonded Turntrans-88.412175.5-54.70000113.1W105 L106 A107 Q111W105-S109 WeakPolarHBondContact O-CB 3.17Å; W105-S109 PolarHBondContact O-N 3.13Å; W105-S109 PolarHBondContact O-OG 3.43Å; L106-S109 PolarHBondContact O-N 2.96Å; A107-S109 PolarHBondContact O-N 2.78Å; S109-Q111 PolarHBondContact O-N 2.87Å
110Y81.7Confident92.6Very high178 Ų17852.9 Ų52.970%0.69828%0.28SS*.THydrogen-bonded Turntrans53.232.6-178.5-60.7-82.1000114.9L106 A107 A108L106-Y110 PolarHBondContact O-N 3.4Å; A107-Y110 PolarHBondContact O-N 3.25Å; A108-Y110 VanDerWaalsContact C-N 3.27Å; A108-Y110 PolarHBondContact O-N 3.24Å
111Q75.8Confident92.3Very high87 Ų8758.3 Ų58.341%0.40731%0.305SS..  trans-83.1129.8176.5-60-168.2600110.9L106 S109 C113 S114L106-Q111 HydrophobicContact CB-CB 4.3Å; L106-Q111 HydrophobicContact CD2-CB 4.3Å; L106-Q111 WeakPolarHBondContact O-CB 3.43Å; L106-Q111 PolarHBondContact O-N 3.27Å; S109-Q111 PolarHBondContact O-N 2.87Å; Q111-C113 PolarHBondContact O-N 2.86Å; Q111-S114 PolarHBondContact O-N 2.84Å
112Q73.2Confident92Very high191 Ų19161.9 Ų61.989%0.89333%0.327SS*.THydrogen-bonded Turntrans-64-13.8-172.4-62.9-167.710.600114.7
113C85.1Confident91.7Very high105 Ų10560.7 Ų60.771%0.70933%0.326SS*.THydrogen-bonded Turntrans-86.5-0-176.5-58.70000114.6Q111Q111-C113 PolarHBondContact O-N 2.86Å
114S95.1Very high91.6Very high4 Ų461.5 Ų61.53%0.02833%0.329CS..  trans-68.9146.8179.7-173.10000112.7Q103 A107 Q111 F116 K128Q103-S114 PolarHBondContact O-OG 3.39Å; A107-S114 WeakPolarHBondContact CB-OG 3.36Å; Q111-S114 PolarHBondContact O-N 2.84Å; S114-F116 PolarHBondContact O-N 2.86Å; S114-F116 PolarHBondContact OG-N 3.38Å; S114-F116 VanDerWaalsContact OG-N 3.1Å; S114-K128 WeakPolarHBondContact O-CE 3.29Å; S114-K128 PolarHBondContact O-NZ 2.68Å
115I96.8Very high91.6Very high4 Ų462.8 Ų62.82%0.02133%0.334CS..SBendtrans-75.8-7.4168.162.9170.3000113.5K39 Y99 L100 Q103 L127 K128 I131 F133K39-I115 HydrophobicContact CD-CG2 4.05Å; Y99-I115 HydrophobicContact CE1-CD1 3.87Å; Y99-I115 WeakPolarHBondContact OH-CG2 3.35Å; L100-I115 HydrophobicContact CD2-CD1 3.89Å; Q103-I115 HydrophobicContact CB-CD1 4.06Å; Q103-I115 HydrophobicContact CB-CG1 3.73Å; Q103-I115 HydrophobicContact CG-CD1 3.89Å; Q103-I115 HydrophobicContact CG-CG1 3.78Å; I115-L127 HydrophobicContact CB-CD1 4.16Å; I115-L127 HydrophobicContact CD1-CD1 3.84Å; I115-L127 HydrophobicContact CG1-CD1 4.14Å; I115-K128 VanDerWaalsContact O-CG 3.31Å; I115-K128 WeakPolarHBondContact O-CG 3.45Å; I115-K128 PolarHBondContact O-N 3.13Å; I115-I131 HydrophobicContact CB-CD1 3.66Å; I115-I131 HydrophobicContact CG2-CD1 3.67Å; I115-F133 HydrophobicContact CD1-CZ 3.84Å
116F97.6Very high91.6Very high8 Ų860.3 Ų60.34%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-103.1149.7-178.4-65.2-64.3000111.8L100 Q103 M104 A107 S114 W125 K126 L127 L323 V327L100-F116 HydrophobicContact CD2-CE2 4.47Å; L100-F116 HydrophobicContact CD2-CZ 3.99Å; Q103-F116 HydrophobicContact CB-CD2 4.01Å; Q103-F116 HydrophobicContact CB-CE2 3.83Å; M104-F116 HydrophobicContact CB-CE2 4.45Å; M104-F116 HydrophobicContact CE-CD1 4.5Å; M104-F116 HydrophobicContact CE-CD2 3.92Å; M104-F116 HydrophobicContact CE-CE1 4.42Å; M104-F116 HydrophobicContact CE-CE2 3.79Å; M104-F116 HydrophobicContact CE-CG 4.27Å; M104-F116 HydrophobicContact CE-CZ 4.05Å; M104-F116 HydrophobicContact SD-CD2 4.36Å; A107-F116 HydrophobicContact CB-CB 4.03Å; S114-F116 PolarHBondContact O-N 2.86Å; S114-F116 PolarHBondContact OG-N 3.38Å; S114-F116 VanDerWaalsContact OG-N 3.1Å; F116-W125 HydrophobicContact CB-CB 4.18Å; F116-W125 HydrophobicContact CB-CE3 4.31Å; F116-K126 CarbonylContact C-O 3.58Å; F116-K126 VanDerWaalsContact CA-O 3.29Å; F116-K126 WeakPolarHBondContact CA-O 3.24Å; F116-L127 HydrophobicContact CD1-CB 4.48Å; F116-L127 HydrophobicContact CD1-CD1 4.49Å; F116-L127 HydrophobicContact CE1-CB 4.37Å; F116-L127 HydrophobicContact CE1-CD1 4.23Å; F116-L323 HydrophobicContact CD1-CD2 3.99Å; F116-L323 HydrophobicContact CE1-CD2 3.4Å; F116-L323 VanDerWaalsContact CE1-CD2 3.4Å; F116-L323 HydrophobicContact CZ-CD2 3.85Å; F116-V327 HydrophobicContact CE1-CG2 4.47Å
117I95.7Very high91.7Very high66 Ų6661.9 Ų61.934%0.33833%0.334SS..EExtended strand (participates in β ladder)trans-122.8155171.154.6172.3000109.3G119 W125 K126 K128I117-G119 PolarHBondContact O-N 3.38Å; I117-W125 VanDerWaalsContact C-CE3 3.5Å; I117-W125 CarbonylContact O-C 3.55Å; I117-W125 WeakPolarHBondContact O-CA 3.39Å; I117-K126 HydrophobicContact CG1-CB 4.12Å; I117-K126 WeakPolarHBondContact CG1-O 3.47Å; I117-K126 PolarHBondContact N-O 3Å; I117-K126 PolarHBondContact O-N 2.88Å; I117-K128 HydrophobicContact CG2-CG 3.68Å
118P95.4Very high91.7Very high92 Ų9264 Ų6460%0.59734%0.342SS*.EExtended strand (participates in β ladder)trans-53.3138.9176.7-27.535.9000112.4W125P118-W125 HydrophobicContact CG-CE3 4.39Å; P118-W125 HydrophobicContact CG-CH2 4.44Å; P118-W125 HydrophobicContact CG-CZ3 3.83Å
119G94.5Very high91.9Very high21 Ų2168.7 Ų68.722%0.21637%0.371CS..  trans-81.4-170.9172.800000112.4I117 K124I117-G119 PolarHBondContact O-N 3.38Å; G119-K124 WeakPolarHBondContact CA-O 3.35Å; G119-K124 PolarHBondContact N-O 3.5Å
120T93.3Very high92Very high105 Ų10568.6 Ų68.664%0.64437%0.367SS*.SBendtrans-85.2-22.5175.351.10000112.7Q324T120-Q324 VanDerWaalsContact OG1-CD 3.28Å; T120-Q324 PolarHBondContact OG1-NE2 2.79Å; T120-Q324 PolarHBondContact OG1-OE1 3.15Å; T120-Q324 VanDerWaalsContact OG1-OE1 3.09Å
121E92.1Very high92.8Very high113 Ų11360.4 Ų60.453%0.52834%0.335SS..SBendtrans-104151.3-179.6-69.8164.5-144.200110.9G123 K124E121-G123 PolarHBondContact O-N 3.15Å; E121-K124 HydrophobicContact CB-CB 3.99Å; E121-K124 HydrophobicContact CB-CG 3.58Å; E121-K124 WeakPolarHBondContact O-CB 3.45Å; E121-K124 PolarHBondContact O-N 3.1Å
122T90.9Very high93.8Very high83 Ų8359.1 Ų59.151%0.50933%0.33SS..THydrogen-bonded Turntrans-57.6130178.2-54.60000111.7K124 E455T122-K124 PolarHBondContact O-N 3.42Å; T122-K124 VanDerWaalsContact O-N 3.14Å; T122-E455 WeakPolarHBondContact CG2-O 3.4Å
123G92.6Very high95Very high14 Ų1450.1 Ų50.114%0.14429%0.288CS..THydrogen-bonded Turntrans71.1-0.4-179.300000115.1E121 W125 N456 P458E121-G123 PolarHBondContact O-N 3.15Å; G123-W125 VanDerWaalsContact O-CD1 3.31Å; G123-W125 PolarHBondContact O-NE1 3.32Å; G123-N456 WeakPolarHBondContact CA-O 3.49Å; G123-P458 WeakPolarHBondContact O-CG 3.28Å
124K95.6Very high95.7Very high32 Ų3245.1 Ų45.114%0.13925%0.254CS..  trans-90.7148.9175.2-64.1-60.2-159.91630111.5G119 E121 T122 M320 H321 F322 L323 Q324G119-K124 WeakPolarHBondContact CA-O 3.35Å; G119-K124 PolarHBondContact N-O 3.5Å; E121-K124 HydrophobicContact CB-CB 3.99Å; E121-K124 HydrophobicContact CB-CG 3.58Å; E121-K124 WeakPolarHBondContact O-CB 3.45Å; E121-K124 PolarHBondContact O-N 3.1Å; T122-K124 PolarHBondContact O-N 3.42Å; T122-K124 VanDerWaalsContact O-N 3.14Å; K124-M320 PolarHBondContact NZ-O 3.23Å; K124-H321 VanDerWaalsContact CD-O 3.31Å; K124-H321 WeakPolarHBondContact CD-O 3.43Å; K124-H321 WeakPolarHBondContact CE-O 3.49Å; K124-H321 PolarHBondContact NZ-O 3.44Å; K124-F322 CarbonylContact C-O 3.46Å; K124-F322 WeakPolarHBondContact CA-O 3.32Å; K124-L323 PolarHBondContact NZ-O 3.03Å; K124-Q324 HydrophobicContact CB-CB 4.31Å
125W96.9Very high95.8Very high27 Ų2745 Ų4510%0.10225%0.253CS..EExtended strand (participates in β ladder)trans-132.8150-178.2-59.885.3000110.4M104 A107 F116 I117 P118 G123 F322 L323 Q324M104-W125 HydrophobicContact CE-CB 4.1Å; M104-W125 HydrophobicContact CE-CG 4.37Å; M104-W125 HydrophobicContact SD-CB 3.99Å; M104-W125 HydrophobicContact SD-CD2 4.32Å; M104-W125 HydrophobicContact SD-CG 3.61Å; A107-W125 VanDerWaalsContact C-CH2 3.47Å; A107-W125 HydrophobicContact CB-CD2 3.98Å; A107-W125 HydrophobicContact CB-CE3 3.66Å; A107-W125 HydrophobicContact CB-CH2 3.96Å; A107-W125 HydrophobicContact CB-CZ2 4.24Å; A107-W125 HydrophobicContact CB-CZ3 3.65Å; A107-W125 WeakPolarHBondContact O-CH2 3.22Å; F116-W125 HydrophobicContact CB-CB 4.18Å; F116-W125 HydrophobicContact CB-CE3 4.31Å; I117-W125 VanDerWaalsContact C-CE3 3.5Å; I117-W125 CarbonylContact O-C 3.55Å; I117-W125 WeakPolarHBondContact O-CA 3.39Å; P118-W125 HydrophobicContact CG-CE3 4.39Å; P118-W125 HydrophobicContact CG-CH2 4.44Å; P118-W125 HydrophobicContact CG-CZ3 3.83Å; G123-W125 VanDerWaalsContact O-CD1 3.31Å; G123-W125 PolarHBondContact O-NE1 3.32Å; W125-F322 PolarHBondContact N-O 2.93Å; W125-L323 WeakPolarHBondContact O-CA 3.33Å; W125-Q324 PolarHBondContact O-N 2.8Å
126K96.6Very high95.9Very high49 Ų4944.8 Ų44.821%0.21325%0.252CS..EExtended strand (participates in β ladder)trans-117.8144.6175.4-65.2177.1-175.9-173.20109.7F116 I117 Q324 Y325F116-K126 CarbonylContact C-O 3.58Å; F116-K126 VanDerWaalsContact CA-O 3.29Å; F116-K126 WeakPolarHBondContact CA-O 3.24Å; I117-K126 HydrophobicContact CG1-CB 4.12Å; I117-K126 WeakPolarHBondContact CG1-O 3.47Å; I117-K126 PolarHBondContact N-O 3Å; I117-K126 PolarHBondContact O-N 2.88Å; K126-Q324 HydrophobicContact CG-CB 3.95Å; K126-Q324 VanDerWaalsContact NZ-NE2 3.2Å; K126-Y325 HydrophobicContact CD-CD2 4.34Å; K126-Y325 HydrophobicContact CD-CE2 4Å; K126-Y325 HydrophobicContact CG-CD2 4.13Å; K126-Y325 HydrophobicContact CG-CE2 4.25Å
127L97.6Very high96Very high46 Ų4644.5 Ų44.524%0.24125%0.251CS..EExtended strand (participates in β ladder)trans-62.5139.2167.4-175.567.3000108.9I115 F116 I131 F133I115-L127 HydrophobicContact CB-CD1 4.16Å; I115-L127 HydrophobicContact CD1-CD1 3.84Å; I115-L127 HydrophobicContact CG1-CD1 4.14Å; F116-L127 HydrophobicContact CD1-CB 4.48Å; F116-L127 HydrophobicContact CD1-CD1 4.49Å; F116-L127 HydrophobicContact CE1-CB 4.37Å; F116-L127 HydrophobicContact CE1-CD1 4.23Å; L127-I131 HydrophobicContact CD1-CB 4.31Å; L127-I131 HydrophobicContact CD1-CG2 4.08Å; L127-I131 HydrophobicContact CD2-CG2 4.41Å; L127-I131 HydrophobicContact CG-CB 4.33Å; L127-I131 HydrophobicContact CG-CG2 4.44Å; L127-F133 HydrophobicContact CD1-CE2 3.81Å; L127-F133 HydrophobicContact CD1-CZ 4.18Å; L127-F133 HydrophobicContact CD2-CD2 4.17Å; L127-F133 HydrophobicContact CD2-CE2 3.7Å; L127-F133 HydrophobicContact CG-CE2 4.43Å
128K96.5Very high96.1Very high50 Ų5041.5 Ų41.522%0.21724%0.236CC..  trans-56.3134.6173-75.1171.2173.1171.90110.4S114 I115 I117 N130 I131S114-K128 WeakPolarHBondContact O-CE 3.29Å; S114-K128 PolarHBondContact O-NZ 2.68Å; I115-K128 VanDerWaalsContact O-CG 3.31Å; I115-K128 WeakPolarHBondContact O-CG 3.45Å; I115-K128 PolarHBondContact O-N 3.13Å; I117-K128 HydrophobicContact CG2-CG 3.68Å; K128-N130 WeakPolarHBondContact CB-OD1 3.35Å; K128-N130 PolarHBondContact O-N 3.08Å; K128-I131 HydrophobicContact CB-CD1 3.89Å; K128-I131 HydrophobicContact CB-CG1 4.05Å; K128-I131 HydrophobicContact CD-CD1 4.02Å; K128-I131 HydrophobicContact CG-CD1 4.48Å; K128-I131 PolarHBondContact O-N 3.11Å
129P95Very high96.2Very high120 Ų12040.1 Ų40.178%0.77922%0.222SC*.THydrogen-bonded Turntrans-68.5-19.6-171.826.8-35.5000114.1I131P129-I131 VanDerWaalsContact C-N 3.28Å
130N94.8Very high96.4Very high45 Ų4539.4 Ų39.424%0.24121%0.213CC..THydrogen-bonded Turntrans-851.3176.267.2-43.1000113.4E41 S42 K128E41-N130 WeakPolarHBondContact CA-O 3.24Å; E41-N130 WeakPolarHBondContact CG-ND2 3.16Å; S42-N130 PolarHBondContact N-O 3.15Å; S42-N130 PolarHBondContact O-ND2 3.14Å; K128-N130 WeakPolarHBondContact CB-OD1 3.35Å; K128-N130 PolarHBondContact O-N 3.08Å
131I96.8Very high96.6Very high6 Ų634.4 Ų34.43%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-106.2130.7-179.6-62.2-179.4000110.3K39 L40 E41 I115 L127 K128 P129 F133K39-I131 HydrophobicContact CD-CG2 4.27Å; K39-I131 HydrophobicContact CG-CG2 3.75Å; L40-I131 VanDerWaalsContact O-CA 3.31Å; L40-I131 WeakPolarHBondContact O-CA 3.37Å; E41-I131 HydrophobicContact CB-CG1 4.15Å; E41-I131 HydrophobicContact CG-CD1 4.49Å; E41-I131 HydrophobicContact CG-CG1 3.91Å; I115-I131 HydrophobicContact CB-CD1 3.66Å; I115-I131 HydrophobicContact CG2-CD1 3.67Å; L127-I131 HydrophobicContact CD1-CB 4.31Å; L127-I131 HydrophobicContact CD1-CG2 4.08Å; L127-I131 HydrophobicContact CD2-CG2 4.41Å; L127-I131 HydrophobicContact CG-CB 4.33Å; L127-I131 HydrophobicContact CG-CG2 4.44Å; K128-I131 HydrophobicContact CB-CD1 3.89Å; K128-I131 HydrophobicContact CB-CG1 4.05Å; K128-I131 HydrophobicContact CD-CD1 4.02Å; K128-I131 HydrophobicContact CG-CD1 4.48Å; K128-I131 PolarHBondContact O-N 3.11Å; P129-I131 VanDerWaalsContact C-N 3.28Å; I131-F133 HydrophobicContact CG2-CE1 4.41Å; I131-F133 HydrophobicContact CG2-CE2 4.17Å; I131-F133 HydrophobicContact CG2-CZ 3.96Å
132I97.6Very high96.7Very high61 Ų6130.2 Ų30.231%0.31317%0.165SC..EExtended strand (participates in β ladder)trans-128.4158.9168.966.9174.9000110.8L40 S330L40-I132 HydrophobicContact CB-CD1 4.3Å; L40-I132 HydrophobicContact CB-CG1 3.65Å; L40-I132 HydrophobicContact CD2-CD1 4.22Å; L40-I132 HydrophobicContact CD2-CG1 4.42Å; L40-I132 PolarHBondContact N-O 3.5Å; L40-I132 PolarHBondContact O-N 3.11Å; I132-S330 WeakPolarHBondContact CB-OG 3.3Å
133F98.7Very high97Very high1 Ų126.3 Ų26.30%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-117.2133.7176.1-64.4-72.2000111.4V37 V38 K39 V62 F96 Y99 I115 L127 I131 V327 L329 S330V37-F133 HydrophobicContact CG1-CB 4.03Å; V37-F133 HydrophobicContact CG1-CD1 3.87Å; V37-F133 HydrophobicContact CG1-CG 4.25Å; V38-F133 WeakPolarHBondContact O-CA 3.32Å; K39-F133 HydrophobicContact CB-CD1 4.08Å; K39-F133 HydrophobicContact CB-CE1 3.77Å; K39-F133 HydrophobicContact CG-CD1 4.43Å; K39-F133 HydrophobicContact CG-CE1 3.85Å; K39-F133 HydrophobicContact CG-CZ 4.49Å; V62-F133 HydrophobicContact CG2-CD1 4.37Å; V62-F133 HydrophobicContact CG2-CE1 4.17Å; F96-F133 AromaticContact CE2-CD1 3.79Å; F96-F133 HydrophobicContact CE2-CD1 3.79Å; F96-F133 AromaticContact CE2-CE1 3.63Å; F96-F133 HydrophobicContact CE2-CE1 3.63Å; F96-F133 HydrophobicContact CE2-CE2 4.38Å; F96-F133 HydrophobicContact CE2-CG 4.25Å; F96-F133 AromaticContact CE2-CZ 3.95Å; F96-F133 HydrophobicContact CE2-CZ 3.95Å; F96-F133 AromaticContact CZ-CD1 3.86Å; F96-F133 HydrophobicContact CZ-CD1 3.86Å; F96-F133 AromaticContact CZ-CD2 3.82Å; F96-F133 HydrophobicContact CZ-CD2 3.82Å; F96-F133 AromaticContact CZ-CE1 3.89Å; F96-F133 HydrophobicContact CZ-CE1 3.89Å; F96-F133 AromaticContact CZ-CE2 3.85Å; F96-F133 HydrophobicContact CZ-CE2 3.85Å; F96-F133 AromaticContact CZ-CG 3.83Å; F96-F133 HydrophobicContact CZ-CG 3.83Å; F96-F133 AromaticContact CZ-CZ 3.88Å; F96-F133 HydrophobicContact CZ-CZ 3.88Å; Y99-F133 HydrophobicContact CE1-CE1 4.36Å; I115-F133 HydrophobicContact CD1-CZ 3.84Å; L127-F133 HydrophobicContact CD1-CE2 3.81Å; L127-F133 HydrophobicContact CD1-CZ 4.18Å; L127-F133 HydrophobicContact CD2-CD2 4.17Å; L127-F133 HydrophobicContact CD2-CE2 3.7Å; L127-F133 HydrophobicContact CG-CE2 4.43Å; I131-F133 HydrophobicContact CG2-CE1 4.41Å; I131-F133 HydrophobicContact CG2-CE2 4.17Å; I131-F133 HydrophobicContact CG2-CZ 3.96Å; F133-V327 HydrophobicContact CD2-CG1 3.71Å; F133-V327 HydrophobicContact CE2-CG1 3.74Å; F133-L329 HydrophobicContact CB-CD2 4.14Å; F133-S330 PolarHBondContact O-N 2.83Å
134I98.8Very high97.2Very high0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans-110.5130.1172.6-60.2174.3000107.9W2 I7 V37 V38 L40 A331 V333W2-I134 HydrophobicContact CD2-CD1 3.53Å; W2-I134 HydrophobicContact CE3-CD1 3.64Å; W2-I134 HydrophobicContact CG-CD1 4.31Å; W2-I134 HydrophobicContact CH2-CD1 3.57Å; W2-I134 HydrophobicContact CH2-CG1 4.23Å; W2-I134 HydrophobicContact CZ2-CD1 3.43Å; W2-I134 VanDerWaalsContact CZ2-CD1 3.43Å; W2-I134 HydrophobicContact CZ2-CG1 4.11Å; W2-I134 HydrophobicContact CZ3-CD1 3.66Å; I7-I134 HydrophobicContact CD1-CD1 3.69Å; I7-I134 HydrophobicContact CG1-CD1 4.02Å; I7-I134 HydrophobicContact CG1-CG2 4.43Å; I7-I134 HydrophobicContact CG2-CG2 3.98Å; V37-I134 WeakPolarHBondContact CA-O 3.24Å; V38-I134 HydrophobicContact CB-CB 4.49Å; V38-I134 PolarHBondContact N-O 3.44Å; V38-I134 PolarHBondContact O-N 3.23Å; L40-I134 HydrophobicContact CD1-CD1 3.61Å; L40-I134 HydrophobicContact CD1-CG1 4.16Å; L40-I134 HydrophobicContact CD2-CD1 3.62Å; L40-I134 HydrophobicContact CG-CD1 4.26Å; I134-A331 HydrophobicContact CG1-CB 4.25Å; I134-A331 HydrophobicContact CG2-CB 4.15Å; I134-V333 HydrophobicContact CG2-CG2 3.78Å
135F98.9Very high97.3Very high2 Ų224.1 Ų24.11%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-92.6133.7171.6-168.7-94.9000109.7A35 V37 E89 A92 L306 W309 L329 A331 I332 V333A35-F135 HydrophobicContact CB-CE1 4.43Å; A35-F135 HydrophobicContact CB-CZ 4.06Å; V37-F135 HydrophobicContact CG2-CD2 3.94Å; V37-F135 HydrophobicContact CG2-CE2 4.31Å; E89-F135 HydrophobicContact CB-CE1 4.26Å; E89-F135 HydrophobicContact CB-CZ 3.8Å; E89-F135 HydrophobicContact CG-CE1 4.27Å; E89-F135 HydrophobicContact CG-CZ 4.26Å; A92-F135 HydrophobicContact CB-CE2 4.42Å; F135-L306 HydrophobicContact CD1-CD2 4.26Å; F135-L306 HydrophobicContact CE1-CD2 4.17Å; F135-W309 HydrophobicContact CE2-CZ3 4.12Å; F135-W309 HydrophobicContact CZ-CZ3 4.22Å; F135-L329 HydrophobicContact CB-CD1 3.59Å; F135-L329 HydrophobicContact CB-CD2 3.92Å; F135-L329 HydrophobicContact CB-CG 4.26Å; F135-L329 HydrophobicContact CD2-CD1 4.2Å; F135-L329 HydrophobicContact CG-CD1 4.04Å; F135-A331 PolarHBondContact N-O 3.16Å; F135-I332 HydrophobicContact CB-CG1 4.23Å; F135-I332 HydrophobicContact CD1-CG2 4.35Å; F135-I332 CarbonylContact O-C 3.53Å; F135-I332 VanDerWaalsContact O-CA 3.31Å; F135-I332 WeakPolarHBondContact O-CA 3.45Å; F135-V333 PolarHBondContact O-N 2.87Å
136F98.9Very high97.2Very high0 Ų023.4 Ų23.40%013%0.127CC..EExtended strand (participates in β ladder)trans-116.9139.5175.1171.8-101000109.8I7 A8 C11 Y12 L34 A35 A36 V333I7-F136 HydrophobicContact CG2-CB 4.18Å; I7-F136 HydrophobicContact CG2-CD2 4.49Å; A8-F136 HydrophobicContact CB-CD2 4.29Å; A8-F136 HydrophobicContact CB-CE2 3.6Å; A8-F136 HydrophobicContact CB-CZ 4.12Å; C11-F136 HydrophobicContact CB-CD1 3.54Å; C11-F136 HydrophobicContact CB-CE1 3.82Å; C11-F136 HydrophobicContact CB-CG 4.13Å; Y12-F136 HydrophobicContact CD1-CE1 4.28Å; Y12-F136 HydrophobicContact CD1-CZ 4.32Å; Y12-F136 AromaticContact CE1-CE1 3.66Å; Y12-F136 HydrophobicContact CE1-CE1 3.66Å; Y12-F136 AromaticContact CE1-CZ 3.42Å; Y12-F136 HydrophobicContact CE1-CZ 3.42Å; Y12-F136 VanDerWaalsContact CE1-CZ 3.42Å; Y12-F136 AromaticContact CZ-CZ 3.6Å; Y12-F136 WeakPolarHBondContact OH-CZ 3.19Å; L34-F136 HydrophobicContact CD2-CE1 4.2Å; L34-F136 HydrophobicContact CG-CE1 4.44Å; A35-F136 CarbonylContact C-O 3.09Å; A35-F136 WeakPolarHBondContact CA-O 3.19Å; A35-F136 VanDerWaalsContact CB-O 3.32Å; A35-F136 WeakPolarHBondContact CB-O 3.49Å; A36-F136 HydrophobicContact CB-CB 4.47Å; A36-F136 HydrophobicContact CB-CD1 4.48Å; A36-F136 PolarHBondContact N-O 3.1Å; A36-F136 PolarHBondContact O-N 3.46Å; F136-V333 CarbonylContact C-O 3.46Å; F136-V333 WeakPolarHBondContact CA-O 3.5Å; F136-V333 HydrophobicContact CD2-CB 4.1Å; F136-V333 HydrophobicContact CD2-CG1 3.94Å; F136-V333 WeakPolarHBondContact CD2-O 3.23Å; F136-V333 HydrophobicContact CE2-CG1 4.38Å
137S98.8Very high97.1Very high1 Ų121.3 Ų21.31%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-136.3135.8165.7-1670000110.4L34 H139 V333 V334 G335L34-S137 CarbonylContact O-C 3.56Å; L34-S137 WeakPolarHBondContact O-CA 3.44Å; S137-H139 WeakPolarHBondContact CB-O 3.47Å; S137-H139 PolarHBondContact O-N 2.77Å; S137-H139 VanDerWaalsContact O-N 3.15Å; S137-H139 PolarHBondContact OG-O 3.29Å; S137-H139 VanDerWaalsContact OG-O 3.08Å; S137-V333 PolarHBondContact N-O 2.91Å; S137-V334 CarbonylContact O-C 3.48Å; S137-V334 VanDerWaalsContact O-CA 3.25Å; S137-V334 WeakPolarHBondContact O-CA 3.36Å; S137-G335 PolarHBondContact O-N 3.24Å
138S98.6Very high96.9Very high3 Ų319.4 Ų19.42%0.02111%0.108CC..SBendtrans-69.5-9.4180670000113.6L34L34-S138 PolarHBondContact N-OG 2.74Å; L34-S138 PolarHBondContact O-N 2.91Å; L34-S138 PolarHBondContact O-OG 2.84Å
139H97.8Very high96.5Very high64 Ų6420.6 Ų20.630%0.29612%0.121SC..SBendtrans-149.4157.2-178.9-160.8-69.9000110.1L33 S137 C337L33-H139 HydrophobicContact CD1-CB 4.38Å; L33-H139 HydrophobicContact CD2-CB 3.69Å; S137-H139 WeakPolarHBondContact CB-O 3.47Å; S137-H139 PolarHBondContact O-N 2.77Å; S137-H139 VanDerWaalsContact O-N 3.15Å; S137-H139 PolarHBondContact OG-O 3.29Å; S137-H139 VanDerWaalsContact OG-O 3.08Å; H139-C337 VanDerWaalsContact CA-SG 3.58Å
140T97.4Very high96.1Very high5 Ų515.9 Ų15.93%0.0319%0.089CC..PPolyproline II helixtrans-55135.9172.653.20000111.5C142 I148 V334 C337 P338 Y339 M344T140-C142 PolarHBondContact O-N 3.31Å; T140-I148 HydrophobicContact CG2-CD1 4.1Å; T140-V334 HydrophobicContact CG2-CG1 4.07Å; T140-C337 PolarHBondContact N-SG 3.05Å; T140-C337 VanDerWaalsContact N-SG 3.39Å; T140-P338 WeakPolarHBondContact CG2-O 3.3Å; T140-Y339 HydrophobicContact CG2-CD2 4.1Å; T140-M344 HydrophobicContact CG2-SD 4.45Å
141P97.3Very high95.2Very high1 Ų115.4 Ų15.41%0.0069%0.094CC..PPolyproline II helixtrans-58.8136.8-179.5-20.129.6000111.5E89 G143 C302 S303 L306 M344E89-P141 WeakPolarHBondContact OE1-CA 3.47Å; P141-G143 PolarHBondContact O-N 2.63Å; P141-C302 HydrophobicContact CB-CB 3.77Å; P141-S303 PolarHBondContact O-OG 3.31Å; P141-L306 HydrophobicContact CB-CD1 3.73Å; P141-L306 HydrophobicContact CG-CD1 3.34Å; P141-M344 HydrophobicContact CG-CE 4.49Å; P141-M344 HydrophobicContact CG-SD 4.44Å
142C95.6Very high93.3Very high25 Ų2522.5 Ų22.517%0.16913%0.128CC..SBendtrans-63.3139.5177.573.80000110.9H87 T140 S301 C302 S303H87-C142 PolarHBondContact CE1-SG 2.93Å; T140-C142 PolarHBondContact O-N 3.31Å; C142-S301 VanDerWaalsContact O-CB 3.27Å; C142-S301 WeakPolarHBondContact O-CB 3.5Å; C142-S301 PolarHBondContact O-OG 3.23Å; C142-C302 PolarHBondContact O-N 2.99Å; C142-C302 PolarHBondContact SG-N 2.92Å; C142-S303 PolarHBondContact O-N 3Å; C142-S303 PolarHBondContact O-OG 2.68Å; C142-S303 VanDerWaalsContact O-OG 3.13Å
143G96.2Very high91.2Very high0 Ų024.5 Ų24.50%015%0.153CC..SBendtrans128.9-140.5-179.100000110.2P141 A145 S146 T262P141-G143 PolarHBondContact O-N 2.63Å; G143-A145 VanDerWaalsContact C-N 3.32Å; G143-S146 PolarHBondContact N-OG 3.1Å; G143-S146 PolarHBondContact O-N 2.87Å; G143-S146 PolarHBondContact O-OG 2.88Å; G143-T262 PolarHBondContact N-OG1 3.12Å; G143-T262 WeakPolarHBondContact O-CB 3.2Å; G143-T262 PolarHBondContact O-OG1 3.26Å
144D96.7Very high89.1Confident0 Ų028.4 Ų28.40%017%0.171CC..G310 helixtrans-67-31.7179.5-173.450.4000113.3S146 I147 V284 G285 S303 R346 A347 R351D144-S146 PolarHBondContact O-N 3.35Å; D144-I147 PolarHBondContact O-N 3.31Å; D144-I147 VanDerWaalsContact O-N 3.15Å; D144-V284 WeakPolarHBondContact OD1-CA 3.49Å; D144-G285 PolarHBondContact OD1-N 3.46Å; D144-G285 PolarHBondContact OD2-N 2.83Å; D144-S303 PolarHBondContact N-OG 3.02Å; D144-R346 PolarHBondContact O-NH2 3.18Å; D144-R346 VanDerWaalsContact O-NH2 3.12Å; D144-R346 IonicContact OD1-CZ 2.79Å; D144-R346 IonicContact OD1-NE 3.62Å; D144-R346 PolarHBondContact OD1-NE 2.92Å; D144-R346 IonicContact OD1-NH2 3.26Å; D144-R346 PolarHBondContact OD1-NH2 3.15Å; D144-R346 IonicContact OD2-CZ 3.87Å; D144-R346 IonicContact OD2-NE 2.74Å; D144-R346 PolarHBondContact OD2-NE 3.5Å; D144-R346 IonicContact OD2-NH2 3.52Å; D144-A347 HydrophobicContact CB-CB 3.91Å; D144-R351 IonicContact OD2-CZ 3.39Å; D144-R351 IonicContact OD2-NH2 2.7Å; D144-R351 PolarHBondContact OD2-NH2 2.74Å
145A96.9Very high86.6Confident0 Ų036.1 Ų36.10%021%0.213CC..G310 helixtrans-68.1-19-178.400000113.3G143 S303 M344 A347G143-A145 VanDerWaalsContact C-N 3.32Å; A145-S303 WeakPolarHBondContact CB-OG 3.45Å; A145-S303 PolarHBondContact N-OG 3.48Å; A145-S303 VanDerWaalsContact N-OG 3.14Å; A145-M344 HydrophobicContact CB-SD 3.74Å; A145-A347 HydrophobicContact CB-CB 3.64Å
146S95.3Very high84.2Confident13 Ų1339.7 Ų39.79%0.09123%0.229CC..G310 helixtrans-97.85.3178.164.10000113.4G143 D144 I148 T262G143-S146 PolarHBondContact N-OG 3.1Å; G143-S146 PolarHBondContact O-N 2.87Å; G143-S146 PolarHBondContact O-OG 2.88Å; D144-S146 PolarHBondContact O-N 3.35Å; S146-I148 PolarHBondContact O-N 3.45Å; S146-T262 WeakPolarHBondContact OG-CB 3.33Å; S146-T262 PolarHBondContact OG-OG1 3.49Å
147I94.8Very high81.5Confident4 Ų443 Ų432%0.02125%0.251CS..  trans-91.594.1173.1-55.3165.8000107.2D144 T262 H282 V284 R346D144-I147 PolarHBondContact O-N 3.31Å; D144-I147 VanDerWaalsContact O-N 3.15Å; I147-T262 HydrophobicContact CD1-CG2 4.12Å; I147-T262 HydrophobicContact CG1-CG2 3.87Å; I147-H282 HydrophobicContact CD1-CB 3.79Å; I147-H282 HydrophobicContact CG1-CB 4.17Å; I147-H282 HydrophobicContact CG2-CB 3.84Å; I147-V284 HydrophobicContact CB-CG1 4.4Å; I147-V284 HydrophobicContact CG2-CG1 3.87Å; I147-R346 PolarHBondContact O-NH2 3.47Å
148I92.9Very high78.4Confident7 Ų748.8 Ų48.84%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-127.1128.2-169-58.6163.9000108.3T140 S146 M150 V259 Y260 P338 A343T140-I148 HydrophobicContact CG2-CD1 4.1Å; S146-I148 PolarHBondContact O-N 3.45Å; I148-M150 PolarHBondContact O-N 3.32Å; I148-V259 CarbonylContact O-C 3.56Å; I148-V259 VanDerWaalsContact O-CA 3.27Å; I148-V259 WeakPolarHBondContact O-CA 2.94Å; I148-Y260 HydrophobicContact CB-CD2 4.09Å; I148-Y260 HydrophobicContact CG2-CD2 4.26Å; I148-Y260 PolarHBondContact O-N 3.37Å; I148-P338 HydrophobicContact CD1-CB 4.49Å; I148-P338 WeakPolarHBondContact CD1-O 3.35Å; I148-A343 HydrophobicContact CG1-CB 3.98Å
149P88.3Confident75.4Confident74 Ų7457 Ų5748%0.48133%0.327SS..EExtended strand (participates in β ladder)trans-58.7131.8170.3-21.633.5000111I257P149-I257 HydrophobicContact CB-CG2 4.33Å
150M87.6Confident72.4Confident22 Ų2259.7 Ų59.711%0.10835%0.35CS..PPolyproline II helixtrans-73137.2173.1-65.2-174.8178.700109.5I148 P157 I257 D258 V259 Y260I148-M150 PolarHBondContact O-N 3.32Å; M150-P157 HydrophobicContact CE-CG 4.43Å; M150-P157 HydrophobicContact SD-CG 4.5Å; M150-I257 VanDerWaalsContact O-CG2 3.24Å; M150-I257 WeakPolarHBondContact O-CG2 3.44Å; M150-D258 WeakPolarHBondContact CB-O 3.43Å; M150-D258 PolarHBondContact N-O 3.04Å; M150-D258 HydrophobicContact SD-CB 3.95Å; M150-V259 WeakPolarHBondContact CE-O 3.48Å; M150-Y260 HydrophobicContact CB-CE2 4.35Å; M150-Y260 HydrophobicContact CE-CD1 3.85Å; M150-Y260 HydrophobicContact CE-CD2 4.44Å; M150-Y260 HydrophobicContact CE-CE1 4Å; M150-Y260 HydrophobicContact CE-CG 4.09Å; M150-Y260 HydrophobicContact CG-CD2 3.77Å; M150-Y260 HydrophobicContact CG-CE2 3.65Å; M150-Y260 HydrophobicContact CG-CG 4.34Å
151G75.9Confident69.3Low35 Ų3566.2 Ų66.236%0.36139%0.389SS..PPolyproline II helixtrans-68.3155175.600000112A153 E154G151-A153 PolarHBondContact O-N 2.87Å; G151-A153 VanDerWaalsContact O-N 3.09Å; G151-E154 PolarHBondContact N-OE2 2.9Å; G151-E154 PolarHBondContact O-N 3.48Å; G151-E154 VanDerWaalsContact O-N 3.09Å
152E56.8Low66.2Low155 Ų15572 Ų7272%0.72442%0.424SS*.THydrogen-bonded Turntrans-61-21.8-179.8-64.4-172.5168.100114.1
153A52.7Low63.4Low103 Ų10373.9 Ų73.985%0.85145%0.448SS*.THydrogen-bonded Turntrans-94.7-8179.400000114.3G151G151-A153 PolarHBondContact O-N 2.87Å; G151-A153 VanDerWaalsContact O-N 3.09Å
154E54.8Low60.1Low82 Ų8282.8 Ų82.838%0.38349%0.49SS..SBendtrans-84.8127.2175.3-67.6177.4148.600108.3G151 Q156 Y260G151-E154 PolarHBondContact N-OE2 2.9Å; G151-E154 PolarHBondContact O-N 3.48Å; G151-E154 VanDerWaalsContact O-N 3.09Å; E154-Q156 PolarHBondContact O-N 3.02Å; E154-Y260 VanDerWaalsContact CD-OH 3.26Å; E154-Y260 PolarHBondContact OE1-OH 3.31Å; E154-Y260 WeakPolarHBondContact OE2-CE2 3.31Å; E154-Y260 PolarHBondContact OE2-OH 3.04Å; E154-Y260 VanDerWaalsContact OE2-OH 3.13Å
155N45.8Very low57Low163 Ų16390.7 Ų90.787%0.87253%0.532SS*.  trans-50.8100.9-178.6-75-43.9000110.3
156Q48.9Very low53.8Low76 Ų7695 Ų9536%0.35557%0.568SS.*PPolyproline II helixtrans-55.9129.4175.5-68.1-165.10.800107.8E154 S158 V256E154-Q156 PolarHBondContact O-N 3.02Å; Q156-S158 PolarHBondContact O-N 3.32Å; Q156-V256 PolarHBondContact NE2-O 3.38Å
157P42.1Very low50.6Low71 Ų71102.4 Ų102.446%0.46161%0.606SS.*PPolyproline II helixtrans-56.6131.9176.421.9-30.1000108.9M150 D258M150-P157 HydrophobicContact CE-CG 4.43Å; M150-P157 HydrophobicContact SD-CG 4.5Å; P157-D258 WeakPolarHBondContact CG-OD2 3.45Å
158S34.5Very low47.3Very low122 Ų122105.8 Ų105.885%0.85364%0.642SS**PPolyproline II helixtrans-56142.4-179.234.40000111.4Q156Q156-S158 PolarHBondContact O-N 3.32Å
159K36Very low44.4Very low176 Ų176111.7 Ų111.777%0.76568%0.681SS**  trans-43.5152.7-168.1-66.4175.8-179.41730115V161K159-V161 PolarHBondContact O-N 3.32Å
160P34.1Very low41.6Very low119 Ų119113.7 Ų113.777%0.77370%0.697SS**  trans-61.5136.5166.26.92.8000109.6V162P160-V162 PolarHBondContact O-N 3.23Å
161V32Very low38.7Very low142 Ų142117 Ų11786%0.86173%0.728SS**  trans-57.9110.3171.2176.80000107.9K159 G163K159-V161 PolarHBondContact O-N 3.32Å; V161-G163 PolarHBondContact O-N 2.96Å
162V31.5Very low36.4Very low123 Ų123125 Ų12575%0.74575%0.753SS**PPolyproline II helixtrans-70.1121.8162.6175.10000105.6P160 E164P160-V162 PolarHBondContact O-N 3.23Å; V162-E164 PolarHBondContact O-N 2.96Å
163G36.8Very low34.9Very low65 Ų65124.2 Ų124.267%0.6776%0.763SS**PPolyproline II helixtrans-68.9121.9167.400000108.3V161V161-G163 PolarHBondContact O-N 2.96Å
164E28.7Very low33.7Very low186 Ų186125 Ų12587%0.86976%0.761SS**PPolyproline II helixtrans-92.7123.7160.8-77.7-177.616000107.9V162V162-E164 PolarHBondContact O-N 2.96Å
165D29.8Very low32.2Very low167 Ų167131.4 Ų131.489%0.89378%0.782SS**PPolyproline II helixtrans-65140170-71.5-53.5000110.8
166A30.5Very low31.2Very low91 Ų91130 Ų13075%0.75277%0.774SS**  trans-148.1106.7153.700000109.6
167D27.7Very low30.2Very low167 Ų167133.7 Ų133.789%0.89379%0.791SS**  trans57.8125.9150.2-63.3-31000122.1
168G26.2Very low29.4Very low75 Ų75136.5 Ų136.577%0.77380%0.803SS**  trans-76-158.3179.800000115.7
169P32.3Very low29Very low131 Ų131141.8 Ų141.885%0.85180%0.804SS**  cis-127.6174.223.937.7-19.4000116.1
170S29.1Very low28.6Very low117 Ų117141 Ų14182%0.81881%0.807SS**  trans-44.4143.8-179.365.90000117.5
171A27.2Very low28.1Very low92 Ų92144.5 Ų144.576%0.7681%0.811SS**  trans-171.6120.7130.800000113.2
172K26.7Very low28Very low203 Ų203144 Ų14488%0.88381%0.81SS**  trans36.8119.5138.7-67.4178.1178.21760120S174K172-S174 PolarHBondContact O-N 3.03Å
173C26.4Very low27.6Very low138 Ų138147 Ų14793%0.93282%0.816SS**  trans-50125.6150.8-162.40000111.3
174S26.3Very low27.1Very low118 Ų118150.2 Ų150.283%0.82582%0.818SS**  trans-148.2146.2158.2-169.30000111.5K172K172-S174 PolarHBondContact O-N 3.03Å
175R24.8Very low27Very low217 Ų217150.2 Ų150.282%0.81982%0.815SS**  trans-75.2155.6-175.9-91.1172.4163.6164.1-5.5113.3
176N23.9Very low26.9Very low133 Ų133154.1 Ų154.171%0.71182%0.817SS**  trans88.8141.4139.8-69.4-4.1000122.4
177H27.8Very low26.6Very low154 Ų154159.8 Ų159.871%0.71383%0.825SS**  trans93.6104.6154-73.8-61.8000120.8
178D25.6Very low26.3Very low131 Ų131156.8 Ų156.870%0.70182%0.817SS**  50.6127119.7-61.8-22.3000120.8
179R26.8Very low26.3Very low232 Ų232162.6 Ų162.688%0.87582%0.824SS**  -177.7107121.9-93.2160.5-168.6-128.94.9108.9
180L26.1Very low25.8Very low159 Ų159165.2 Ų165.283%0.83283%0.825SS**  84.4103.796.6-79.9173.1000113.8
181F24.9Very low25.6Very low194 Ų194166.9 Ų166.985%0.85183%0.831SS**PPolyproline II helixtrans-80.5149.2156.4-74-92.6000109.4
182P28.3Very low25.4Very low130 Ų130167 Ų16784%0.84483%0.831SS**PPolyproline II helixtrans-78.2136.7174.7-7.925.3000112.2
183E23.4Very low25.3Very low187 Ų187163.2 Ų163.287%0.87483%0.831SS**PPolyproline II helixtrans-74.9151.2169.2-62.6-172.3144.500112.1
184D26Very low25.2Very low133 Ų133164.2 Ų164.271%0.71183%0.827SS**  trans-147.9110.7141.6-121.5-22.2000111.5
185K27.6Very low25.8Very low185 Ų185163.4 Ų163.480%0.80482%0.818SS**  trans52.9113.4140.9-66.4168.4-168.6146.30120.9
186R27Very low25.9Very low249 Ų249161.1 Ų161.194%0.9482%0.821SS**PPolyproline II helixtrans-98.1145.8145.5-76.1-176.1-171.2165.24.3110.4
187K24.3Very low26Very low210 Ų210161.5 Ų161.591%0.91382%0.822SS**PPolyproline II helixtrans-87146.6160.3-95.4-177.8173.1-177.10110.5
188S22.3Very low25.8Very low104 Ų104164.4 Ų164.473%0.72783%0.832SS**PPolyproline II helixtrans-71.5157-175.347.70000115.5
189E24.8Very low25.7Very low197 Ų197168.1 Ų168.192%0.92184%0.836SS**  -167.5142.1115.9-104.4170.6-167.300112
190E22.9Very low25.5Very low186 Ų186165.7 Ų165.787%0.86984%0.837SS**  trans-80.9155.8-172.7-83.1171.212800113.9
191T24.6Very low25.4Very low153 Ų153165.8 Ų165.894%0.93983%0.831SS**  -168.7143.411919.30000111.4
192A23.7Very low25.4Very low94 Ų94161.8 Ų161.878%0.77782%0.822SS**  trans-89.1153.6-162.200000114.8
193S24.9Very low25.1Very low124 Ų124161 Ų16187%0.86782%0.815SS**  -179.6134.9124.928.70000112.2
194N23.6Very low25.1Very low159 Ų159158.6 Ų158.685%0.8581%0.808SS**  trans-127.1178.2172.6-105.3-18000105.9
195P39.5Very low25Very low100 Ų100158 Ų15865%0.64981%0.805SS**  cis-136.1-171.5-21.131.2-8.7000111.9
196I26.1Very low24.8Very low170 Ų170156.2 Ų156.287%0.87280%0.804SS**  -173.2142.3126.8-90155.4000111.2
197I25.1Very low24.6Very low141 Ų141149.1 Ų149.172%0.72379%0.791SS**  trans-84.6148.1-170.3-69.8154.2000111.8
198K24.5Very low24.6Very low214 Ų214148.7 Ų148.793%0.9379%0.79SS**  -163.6140.2123.1-104.1176.3-167.8-175.70113.1
199R23.9Very low24.8Very low210 Ų210147.8 Ų147.879%0.79278%0.783SS**  trans-130.6141.9-165.8-178-168.1-165.3-177.46.4107.2
200M23.1Very low24.8Very low180 Ų180144.2 Ų144.289%0.88778%0.775SS**  trans178.5121.6151.7-105.8162.9104.100106.1
201K22.9Very low24.9Very low162 Ų162142.1 Ų142.170%0.70477%0.768SS**  47.912251-92.1-167.2176.2-170.10110.9
202T24.5Very low25Very low110 Ų110139.6 Ų139.668%0.67575%0.753SS**  -177.6137.752.913.70000107.8
203V22Very low25.1Very low114 Ų114143.2 Ų143.269%0.69175%0.754SS**  99144.179.3167.20000113.9
204N24.5Very low25.1Very low136 Ų136144 Ų14473%0.72775%0.748SS**  trans83.3146.1160.3-82.815.5000119.6
205D22.9Very low25.1Very low121 Ų121143.9 Ų143.965%0.64775%0.747SS**  cis-173.1171.4-18.9-136.2-17.3000105.9
206D23.1Very low24.4Very low147 Ų147143.2 Ų143.279%0.78675%0.75SS**  trans93.8130149.7-67.7-29000124
207C24.4Very low24.3Very low99 Ų99140.6 Ų140.667%0.66975%0.746SS**  trans-76.9161.7179.21800000112.3
208F24.3Very low24.3Very low201 Ų201143.6 Ų143.688%0.88276%0.757SS**  -168.8137.5123.5-108.6-76.5000112.4
209S25.6Very low24.2Very low85 Ų85142.2 Ų142.259%0.59475%0.754SS**  trans-89165.9167.651.20000112.5
210V24.4Very low24.1Very low123 Ų123139.4 Ų139.475%0.74576%0.76SS**  trans168.5112.1142.1158.50000107.7
211I26.4Very low24.1Very low141 Ų141136 Ų13672%0.72375%0.754SS**  55.4134.183.1-36.6172.7000112.4
212T25.2Very low24.1Very low101 Ų101139.3 Ų139.362%0.6276%0.762SS**  -176.6150.355.69.20000112.5
213E27.1Very low24.1Very low170 Ų170143 Ų14379%0.79477%0.769SS**  trans56.1152.7132.1-62.8168.4174.100121.3
214D23.7Very low24.1Very low139 Ų139146.7 Ų146.774%0.74378%0.778SS**  cis-165.8176.229.4-149.7-3.1000114.3
215L24.9Very low24.1Very low158 Ų158145.1 Ų145.183%0.82778%0.784SS**  trans-75.3165.4-172.8-80.2134000119.2
216A24Very low24.1Very low86 Ų86145.1 Ų145.171%0.71179%0.794SS**  121.8115.1127.600000120.3
217S24.9Very low24.2Very low115 Ų115146.7 Ų146.780%0.80480%0.801SS**  67.1122.8127.1-51.10000122.8
218Q23.8Very low24.1Very low203 Ų203150.9 Ų150.995%0.94981%0.811SS**  trans-155.7118.9138-107.5173.823.300111.9
219Q22.6Very low24.1Very low186 Ų186148.4 Ų148.487%0.86981%0.807SS**  trans-82.5146.6161.8-76.9175.1-36.100109.7
220V22.7Very low24Very low150 Ų150150.6 Ų150.691%0.90981%0.812SS**  trans-155.2137.4133.4177.50000110.4
221S22.4Very low24.1Very low109 Ų109151.5 Ų151.576%0.76282%0.818SS**  trans-72.7156.3-173.1-41.80000117.9
222R23.7Very low24.1Very low231 Ų231151.3 Ų151.387%0.87282%0.819SS**  trans-163.5113135-121177.6-171.5170.62.3115.5
223K24Very low24.5Very low188 Ų188151.6 Ų151.682%0.81782%0.822SS**  trans65.5116135-74.3-175173.5-171.10124.3
224Q22.3Very low24.4Very low191 Ų191152 Ų15289%0.89382%0.821SS**  trans-27.2146.2147.7-73.4160.4-45.800119
225A23.3Very low24.3Very low103 Ų103150.6 Ų150.685%0.85182%0.823SS**  -179.4127.6103.300000111.6
226S23.1Very low24.3Very low122 Ų122153 Ų15385%0.85383%0.826SS**  trans-144.4125.7161.255.40000109.3
227L25.3Very low24.2Very low179 Ų179157.9 Ų157.994%0.93784%0.835SS**  trans-84.2142.5174.3-79.2154.4000110
228E23.2Very low24Very low187 Ų187158.2 Ų158.287%0.87484%0.836SS**  trans-77149.2170.4-60.4175.5155.500110.7
229D23Very low24.1Very low149 Ų149153.7 Ų153.780%0.79783%0.826SS**  -173.8155.3112.1-155.513000112.8
230D24.7Very low24.4Very low132 Ų132149.9 Ų149.971%0.70683%0.827SS**  trans-52153.5-167.4-75.2-37.7000120.6
231T25.3Very low24.5Very low142 Ų142151.4 Ų151.487%0.87182%0.824SS**  177.9143.493.720.60000115.6
232N27.4Very low24.7Very low137 Ų137155.5 Ų155.573%0.73383%0.834SS**  trans-55.2169.3-175.8-152.54.6000117K234N232-K234 PolarHBondContact OD1-N 3.48Å
233P32.7Very low24.8Very low107 Ų107153 Ų15370%0.69583%0.831SS**  -147.8138.277.729.8-6.4000118.7
234K24.7Very low25Very low178 Ų178155.5 Ų155.577%0.77484%0.836SS**  83.894.9127.3-67.5173.1-175.1179.90120.1N232N232-K234 PolarHBondContact OD1-N 3.48Å
235S22.7Very low25.4Very low110 Ų110152.6 Ų152.677%0.76983%0.833SS**  trans-102.3143.4140.150.20000109.4
236F23.9Very low25.8Very low207 Ų207154.8 Ų154.891%0.90883%0.831SS**  trans-142.1128161.1-102.7-83.3000109.5
237E22.9Very low26.2Very low189 Ų189158.3 Ų158.388%0.88383%0.831SS**  trans-74.3162.4-177.8-63.9170.9138.900112.7
238C21.4Very low26.9Very low122 Ų122159.3 Ų159.382%0.82483%0.831SS**  trans-144.8107.5150.7-158.80000110.8
239S25.7Very low27.4Very low108 Ų108155.3 Ų155.376%0.75583%0.83SS**  trans41.9119.1136.3-46.50000120.6
240A28Very low28Very low106 Ų106152 Ų15288%0.87683%0.831SS**  trans-73.7123.2163.300000111.2
241E24.4Very low28.7Very low182 Ų182154.2 Ų154.285%0.8584%0.842SS**  trans-124.5133.6153.5-86.1-169.5161.500109.8
242M28Very low29.3Very low196 Ų196150.8 Ų150.897%0.96684%0.835SS**  trans-95.6107.1-167.5-158.4159172.100107.8
243Q25.3Very low30.2Very low177 Ų177155.1 Ų155.183%0.82784%0.841SS**  trans-125125.5166.8-71-174.111.600109.6
244R28.7Very low31.4Very low242 Ų242154.3 Ų154.391%0.91384%0.843SS**  trans-65.1138.5-177.8-59.8-179.6-177.6-169.40.3110.2D246R244-D246 PolarHBondContact O-N 3.24Å
245P30.3Very low33.4Very low129 Ų129152.5 Ų152.584%0.83884%0.835SS**  trans-88108.7168.432.6-25.3000109
246D30.3Very low35.6Very low150 Ų150151.2 Ų151.280%0.80282%0.823SS**  trans-89.8132.3155.7-100.1-28.1000108.8R244R244-D246 PolarHBondContact O-N 3.24Å
247K33.1Very low38.3Very low196 Ų196144.7 Ų144.785%0.85280%0.796SS**  trans84.4107.1162-60.7178.3-179.3179.10118.6
248E39.7Very low41.3Very low199 Ų199136.4 Ų136.493%0.9376%0.758SS**  trans-46.5131.7153.6-70.9174.1127.100112.6
249A32.3Very low44.4Very low103 Ų103130.8 Ų130.885%0.85172%0.72SS**  trans-163.8108.2141.600000110.7
250G36.1Very low47.3Very low80 Ų80128.6 Ų128.683%0.82570%0.696SS**  trans92.854.2149.800000118.7G252G250-G252 PolarHBondContact O-N 2.72Å
251L39.6Very low50.1Low178 Ų178129.1 Ų129.193%0.93268%0.675SS**  trans-71.697161.6-159.274.6000108.7R253L251-R253 PolarHBondContact O-N 3.46Å
252G37.5Very low53.3Low71 Ų71120.9 Ų120.973%0.73264%0.637SS**  trans-52.6113172.400000109.6G250 A254G250-G252 PolarHBondContact O-N 2.72Å; G252-A254 PolarHBondContact O-N 2.84Å
253R47.2Very low56.2Low228 Ų228113.7 Ų113.786%0.8661%0.614SS**  trans-56.4110.3178-145.6179.8-167.3178.84107.4L251 K255L251-R253 PolarHBondContact O-N 3.46Å; R253-K255 PolarHBondContact O-N 3.06Å
254A57.6Low59.3Low89 Ų89105.3 Ų105.374%0.73658%0.575SS**  trans-50.5117.4176.700000108.4G252 V256G252-A254 PolarHBondContact O-N 2.84Å; A254-V256 PolarHBondContact O-N 3.24Å
255K66Low62.4Low140 Ų14099.2 Ų99.261%0.60956%0.555SS**  trans-68.6108.2-174.1-165.2-179.7-179.3-171.70107.2R253 I257R253-K255 PolarHBondContact O-N 3.06Å; K255-I257 PolarHBondContact O-N 3.32Å; K255-I257 VanDerWaalsContact O-N 3.11Å
256V69.9Low65.3Low84 Ų8494 Ų9451%0.50952%0.521SS..  trans-63.7114.9178178.20000107.9Q156 A254 D258 P277 G278Q156-V256 PolarHBondContact NE2-O 3.38Å; A254-V256 PolarHBondContact O-N 3.24Å; V256-D258 PolarHBondContact O-N 2.79Å; V256-P277 HydrophobicContact CG1-CB 4.48Å; V256-G278 VanDerWaalsContact CG1-CA 3.47Å
257I80.1Confident68.3Low69 Ų6987.3 Ų87.335%0.35449%0.486SS..  trans-72.3124.6173.6-61.8174000107.4P149 M150 K255 G278 I279P149-I257 HydrophobicContact CB-CG2 4.33Å; M150-I257 VanDerWaalsContact O-CG2 3.24Å; M150-I257 WeakPolarHBondContact O-CG2 3.44Å; K255-I257 PolarHBondContact O-N 3.32Å; K255-I257 VanDerWaalsContact O-N 3.11Å; I257-G278 CarbonylContact O-C 3.14Å; I257-G278 WeakPolarHBondContact O-CA 3.37Å; I257-I279 HydrophobicContact CB-CG2 4.23Å; I257-I279 HydrophobicContact CG2-CG2 4.23Å; I257-I279 WeakPolarHBondContact O-CG2 3.46Å; I257-I279 PolarHBondContact O-N 3.4Å
258D85.7Confident70.7Confident16 Ų1682 Ų829%0.08647%0.472CS..  trans-83.7168.6177.9-158.217.7000111.8M150 P157 V256 R261M150-D258 WeakPolarHBondContact CB-O 3.43Å; M150-D258 PolarHBondContact N-O 3.04Å; M150-D258 HydrophobicContact SD-CB 3.95Å; P157-D258 WeakPolarHBondContact CG-OD2 3.45Å; V256-D258 PolarHBondContact O-N 2.79Å; D258-R261 VanDerWaalsContact CG-NH2 3.31Å; D258-R261 IonicContact OD1-CZ 3.4Å; D258-R261 IonicContact OD1-NH1 3.09Å; D258-R261 PolarHBondContact OD1-NH1 3.41Å; D258-R261 IonicContact OD1-NH2 2.91Å; D258-R261 PolarHBondContact OD1-NH2 3.17Å; D258-R261 IonicContact OD2-CZ 3.32Å; D258-R261 IonicContact OD2-NH1 3.42Å; D258-R261 PolarHBondContact OD2-NH1 3.25Å; D258-R261 IonicContact OD2-NH2 2.74Å; D258-R261 PolarHBondContact OD2-NH2 2.96Å
259V86.9Confident72.7Confident3 Ų376.7 Ų76.72%0.01847%0.47CS..EExtended strand (participates in β ladder)trans-122.4147177.1-70.20000112I148 M150 R261 I279 F281I148-V259 CarbonylContact O-C 3.56Å; I148-V259 VanDerWaalsContact O-CA 3.27Å; I148-V259 WeakPolarHBondContact O-CA 2.94Å; M150-V259 WeakPolarHBondContact CE-O 3.48Å; V259-R261 HydrophobicContact CG2-CG 4.21Å; V259-R261 PolarHBondContact O-N 3.07Å; V259-R261 PolarHBondContact O-NH1 3.36Å; V259-I279 HydrophobicContact CG1-CB 4.2Å; V259-I279 HydrophobicContact CG1-CG2 3.9Å; V259-F281 HydrophobicContact CG2-CB 4.34Å
260Y85.8Confident75.2Confident62 Ų6277 Ų7724%0.24345%0.453CS..EExtended strand (participates in β ladder)trans-61.4117.8157.5-68.9-78.2000108.6I148 M150 E154 P338I148-Y260 HydrophobicContact CB-CD2 4.09Å; I148-Y260 HydrophobicContact CG2-CD2 4.26Å; I148-Y260 PolarHBondContact O-N 3.37Å; M150-Y260 HydrophobicContact CB-CE2 4.35Å; M150-Y260 HydrophobicContact CE-CD1 3.85Å; M150-Y260 HydrophobicContact CE-CD2 4.44Å; M150-Y260 HydrophobicContact CE-CE1 4Å; M150-Y260 HydrophobicContact CE-CG 4.09Å; M150-Y260 HydrophobicContact CG-CD2 3.77Å; M150-Y260 HydrophobicContact CG-CE2 3.65Å; M150-Y260 HydrophobicContact CG-CG 4.34Å; E154-Y260 VanDerWaalsContact CD-OH 3.26Å; E154-Y260 PolarHBondContact OE1-OH 3.31Å; E154-Y260 WeakPolarHBondContact OE2-CE2 3.31Å; E154-Y260 PolarHBondContact OE2-OH 3.04Å; E154-Y260 VanDerWaalsContact OE2-OH 3.13Å; Y260-P338 HydrophobicContact CD1-CB 3.86Å; Y260-P338 HydrophobicContact CD1-CG 3.7Å; Y260-P338 HydrophobicContact CD2-CB 3.72Å; Y260-P338 HydrophobicContact CD2-CG 4.37Å; Y260-P338 HydrophobicContact CE1-CB 3.77Å; Y260-P338 HydrophobicContact CE1-CG 3.31Å; Y260-P338 HydrophobicContact CE2-CB 3.6Å; Y260-P338 HydrophobicContact CE2-CG 4.02Å; Y260-P338 HydrophobicContact CG-CB 3.83Å; Y260-P338 HydrophobicContact CG-CG 4.21Å; Y260-P338 VanDerWaalsContact CZ-CG 3.48Å
261R88.5Confident77.5Confident117 Ų11779 Ų7944%0.44244%0.444SS..PPolyproline II helixtrans-90.8144.5-174.1-66.3173.9-174.679.6-3.7111.2D258 V259 F281 H282D258-R261 VanDerWaalsContact CG-NH2 3.31Å; D258-R261 IonicContact OD1-CZ 3.4Å; D258-R261 IonicContact OD1-NH1 3.09Å; D258-R261 PolarHBondContact OD1-NH1 3.41Å; D258-R261 IonicContact OD1-NH2 2.91Å; D258-R261 PolarHBondContact OD1-NH2 3.17Å; D258-R261 IonicContact OD2-CZ 3.32Å; D258-R261 IonicContact OD2-NH1 3.42Å; D258-R261 PolarHBondContact OD2-NH1 3.25Å; D258-R261 IonicContact OD2-NH2 2.74Å; D258-R261 PolarHBondContact OD2-NH2 2.96Å; V259-R261 HydrophobicContact CG2-CG 4.21Å; V259-R261 PolarHBondContact O-N 3.07Å; V259-R261 PolarHBondContact O-NH1 3.36Å; R261-F281 HydrophobicContact CG-CD1 4.22Å; R261-F281 HydrophobicContact CG-CE1 4.46Å; R261-H282 WeakPolarHBondContact CA-NE2 3.28Å; R261-H282 WeakPolarHBondContact CB-NE2 3.4Å
262T89.9Confident79.9Confident9 Ų972.4 Ų72.46%0.05542%0.42CS..PPolyproline II helixtrans-94.1140.2174.5-175.10000111.6G143 S146 I147 A264 H282G143-T262 PolarHBondContact N-OG1 3.12Å; G143-T262 WeakPolarHBondContact O-CB 3.2Å; G143-T262 PolarHBondContact O-OG1 3.26Å; S146-T262 WeakPolarHBondContact OG-CB 3.33Å; S146-T262 PolarHBondContact OG-OG1 3.49Å; I147-T262 HydrophobicContact CD1-CG2 4.12Å; I147-T262 HydrophobicContact CG1-CG2 3.87Å; T262-A264 WeakPolarHBondContact CG2-O 3.33Å; T262-A264 PolarHBondContact O-N 2.59Å; T262-A264 WeakPolarHBondContact OG1-CB 3.2Å; T262-A264 PolarHBondContact OG1-N 2.77Å; T262-H282 PolarHBondContact N-NE2 3.14Å
263G88.7Confident82.4Confident46 Ų4670.4 Ų70.447%0.47439%0.392SS..SBendtrans-73.9-15.1169.200000113.2P291G263-P291 WeakPolarHBondContact O-CD 3.47Å; G263-P291 WeakPolarHBondContact O-CG 3.42Å
264A91.5Very high84.3Confident1 Ų162.2 Ų62.21%0.00837%0.374CS..PPolyproline II helixtrans-77.4136.9179.400000111.1T262 R288 V289T262-A264 WeakPolarHBondContact CG2-O 3.33Å; T262-A264 PolarHBondContact O-N 2.59Å; T262-A264 WeakPolarHBondContact OG1-CB 3.2Å; T262-A264 PolarHBondContact OG1-N 2.77Å; A264-R288 HydrophobicContact CB-CB 3.87Å; A264-R288 PolarHBondContact O-NH1 3.2Å; A264-R288 VanDerWaalsContact O-NH1 3.13Å; A264-V289 CarbonylContact C-O 3.26Å; A264-V289 VanDerWaalsContact CA-O 3.27Å; A264-V289 WeakPolarHBondContact CA-O 3.33Å; A264-V289 WeakPolarHBondContact CB-O 3.27Å
265K92.6Very high85.7Confident113 Ų11364.8 Ų64.849%0.49137%0.371SS..EExtended strand (participates in β ladder)trans-101.2148.6-175.8-58.3-57.1-176.9179.60110.2R288 V289K265-R288 CarbonylContact O-C 3.47Å; K265-R288 WeakPolarHBondContact O-CA 3.35Å; K265-R288 WeakPolarHBondContact O-CB 3.3Å; K265-V289 HydrophobicContact CB-CG2 4.44Å; K265-V289 PolarHBondContact N-O 3.43Å; K265-V289 PolarHBondContact O-N 2.77Å
266C93.1Very high86.7Confident21 Ų2165.1 Ų65.114%0.14237%0.368CS..EExtended strand (participates in β ladder)trans-54.5149172.5-58.30000110.9L287C266-L287 WeakPolarHBondContact CA-O 3.47Å
267V91.5Very high87.5Confident8 Ų866.2 Ų66.25%0.04838%0.377CS..PPolyproline II helixtrans-57.2133.9174.71690000109.8G269 E270 L287 V289 M300 G493 V495V267-G269 PolarHBondContact O-N 2.98Å; V267-E270 HydrophobicContact CB-CG 4.05Å; V267-E270 HydrophobicContact CG1-CG 4.01Å; V267-E270 PolarHBondContact O-N 2.79Å; V267-L287 HydrophobicContact CG2-CB 3.73Å; V267-L287 PolarHBondContact N-O 2.87Å; V267-L287 VanDerWaalsContact N-O 3.07Å; V267-V289 HydrophobicContact CG2-CG1 4.23Å; V267-M300 HydrophobicContact CG2-CE 3.88Å; V267-M300 HydrophobicContact CG2-SD 4.43Å; V267-G493 WeakPolarHBondContact CG1-O 3.27Å; V267-G493 WeakPolarHBondContact CG2-O 3.33Å; V267-V495 HydrophobicContact CG1-CG2 3.79Å; V267-V495 HydrophobicContact CG2-CG2 4.15Å
268P84.5Confident87.9Confident86 Ų8663 Ų6356%0.55836%0.361SS*.THydrogen-bonded Turntrans-60.1134.6175.5-22.533.4000112.2
269G81.4Confident87.8Confident86 Ų8666.9 Ų66.989%0.88738%0.381SS*.THydrogen-bonded Turntrans92.9-8.4-179.300000114.6V267V267-G269 PolarHBondContact O-N 2.98Å
270E84.8Confident87.8Confident109 Ų10971.6 Ų71.651%0.50940%0.402SS..SBendtrans-100.5178175.3-62.5-68.5168.700111.5V267 G272 G493V267-E270 HydrophobicContact CB-CG 4.05Å; V267-E270 HydrophobicContact CG1-CG 4.01Å; V267-E270 PolarHBondContact O-N 2.79Å; E270-G272 PolarHBondContact O-N 2.99Å; E270-G493 WeakPolarHBondContact OE1-CA 3.5Å
271L85.4Confident88Confident122 Ų12271.2 Ų71.264%0.63940%0.402SS*.PPolyproline II helixtrans-54.8138.3173.1-158.979.3000111.2L286L271-L286 HydrophobicContact CB-CD1 4.04Å; L271-L286 HydrophobicContact CB-CD2 4.39Å; L271-L286 HydrophobicContact CD2-CD1 4.48Å; L271-L286 VanDerWaalsContact O-CD1 3.22Å; L271-L286 WeakPolarHBondContact O-CD1 3.32Å
272G88.3Confident88.2Confident41 Ų4166 Ų6642%0.42338%0.383SS..PPolyproline II helixtrans-90.4172.6-17900000114.1E270 S283E270-G272 PolarHBondContact O-N 2.99Å; G272-S283 PolarHBondContact O-OG 3.27Å
273D90.8Very high88.3Confident28 Ų2866.9 Ų66.915%0.1539%0.39CS..PPolyproline II helixtrans-69.4133.5162.5-77.6-31.4000109.1Q275 F281 H282 S283 R288D273-Q275 HydrophobicContact CB-CG 4.19Å; D273-Q275 PolarHBondContact O-N 3.02Å; D273-F281 WeakPolarHBondContact CB-O 3.44Å; D273-H282 VanDerWaalsContact CG-ND1 3.28Å; D273-H282 VanDerWaalsContact OD1-CA 3.25Å; D273-H282 WeakPolarHBondContact OD1-CA 3.36Å; D273-H282 IonicContact OD1-CG 3.31Å; D273-H282 IonicContact OD1-ND1 2.74Å; D273-H282 PolarHBondContact OD1-ND1 2.82Å; D273-H282 IonicContact OD2-CE1 3.8Å; D273-H282 IonicContact OD2-ND1 3.87Å; D273-H282 PolarHBondContact OD2-ND1 2.83Å; D273-S283 PolarHBondContact OD1-N 2.95Å; D273-R288 IonicContact OD1-CZ 2.83Å; D273-R288 IonicContact OD1-NH1 3.96Å; D273-R288 PolarHBondContact OD1-NH1 3.29Å; D273-R288 IonicContact OD1-NH2 3.1Å; D273-R288 PolarHBondContact OD1-NH2 3.06Å; D273-R288 IonicContact OD2-CZ 3.7Å; D273-R288 IonicContact OD2-NH1 3.87Å; D273-R288 PolarHBondContact OD2-NH1 3Å; D273-R288 IonicContact OD2-NH2 2.63Å
274A87.5Confident88.5Confident57 Ų5768.3 Ų68.347%0.47139%0.389SS..  trans-69.8-19.8178.300000112.9R276A274-R276 HydrophobicContact CB-CG 4.39Å; A274-R276 PolarHBondContact O-N 3.13Å
275Q86.7Confident88.5Confident143 Ų14369.9 Ų69.967%0.66841%0.405SS*.  trans57.319.4177.5-59.2-179.710.100114.5D273 F281D273-Q275 HydrophobicContact CB-CG 4.19Å; D273-Q275 PolarHBondContact O-N 3.02Å; Q275-F281 HydrophobicContact CB-CE2 4.34Å; Q275-F281 PolarHBondContact N-O 3.35Å
276R87.3Confident88.6Confident147 Ų14766.4 Ų66.456%0.55539%0.392SS*.  trans-74.5158.1172.4-66.9177.6-179.3-174.20.8110.3A274 E280 F281A274-R276 HydrophobicContact CB-CG 4.39Å; A274-R276 PolarHBondContact O-N 3.13Å; R276-E280 HydrophobicContact CB-CB 3.76Å; R276-E280 WeakPolarHBondContact CD-OE2 3.41Å; R276-E280 IonicContact CZ-OE2 3.73Å; R276-E280 IonicContact NE-OE2 3.35Å; R276-E280 IonicContact NH1-OE2 2.92Å; R276-E280 PolarHBondContact NH1-OE2 2.81Å; R276-F281 WeakPolarHBondContact O-CA 3.28Å; R276-F281 VanDerWaalsContact O-CB 3.23Å; R276-F281 WeakPolarHBondContact O-CB 3.48Å; R276-F281 PolarHBondContact O-N 2.89Å; R276-F281 VanDerWaalsContact O-N 3.16Å
277P86.4Confident88.7Confident106 Ų10666.4 Ų66.469%0.68839%0.391SS*.SBendtrans-60.1148.5176.8-24.135000112.6V256V256-P277 HydrophobicContact CG1-CB 4.48Å
278G87.7Confident88.9Confident3 Ų366 Ų663%0.03139%0.388CS..G310 helixtrans76.2-145.3172.700000115.2V256 I257 E280 F281V256-G278 VanDerWaalsContact CG1-CA 3.47Å; I257-G278 CarbonylContact O-C 3.14Å; I257-G278 WeakPolarHBondContact O-CA 3.37Å; G278-E280 PolarHBondContact O-N 3.29Å; G278-E280 VanDerWaalsContact O-N 3.13Å; G278-F281 VanDerWaalsContact O-CB 3.28Å; G278-F281 WeakPolarHBondContact O-CB 3.37Å; G278-F281 PolarHBondContact O-N 3.44Å
279I85.1Confident89.4Confident97 Ų9762.5 Ų62.550%0.49737%0.365SS..G310 helixtrans-56.1-25.7179.562.6171.4000114.5I257 V259 F281I257-I279 HydrophobicContact CB-CG2 4.23Å; I257-I279 HydrophobicContact CG2-CG2 4.23Å; I257-I279 WeakPolarHBondContact O-CG2 3.46Å; I257-I279 PolarHBondContact O-N 3.4Å; V259-I279 HydrophobicContact CG1-CB 4.2Å; V259-I279 HydrophobicContact CG1-CG2 3.9Å; I279-F281 VanDerWaalsContact C-N 3.26Å; I279-F281 PolarHBondContact O-N 3.1Å
280E86.4Confident89.9Confident101 Ų10158.6 Ų58.647%0.47232%0.324SS..G310 helixtrans-820.4178.6-63.6-172-174.100113.2R276 G278 H282R276-E280 HydrophobicContact CB-CB 3.76Å; R276-E280 WeakPolarHBondContact CD-OE2 3.41Å; R276-E280 IonicContact CZ-OE2 3.73Å; R276-E280 IonicContact NE-OE2 3.35Å; R276-E280 IonicContact NH1-OE2 2.92Å; R276-E280 PolarHBondContact NH1-OE2 2.81Å; G278-E280 PolarHBondContact O-N 3.29Å; G278-E280 VanDerWaalsContact O-N 3.13Å; E280-H282 PolarHBondContact O-N 2.77Å
281F90.1Very high89.8Confident54 Ų5457 Ų5724%0.23732%0.322CS..SBendtrans-62.8-46.7-179.3-174-89.2000111.9V259 R261 D273 Q275 R276 G278 I279V259-F281 HydrophobicContact CG2-CB 4.34Å; R261-F281 HydrophobicContact CG-CD1 4.22Å; R261-F281 HydrophobicContact CG-CE1 4.46Å; D273-F281 WeakPolarHBondContact CB-O 3.44Å; Q275-F281 HydrophobicContact CB-CE2 4.34Å; Q275-F281 PolarHBondContact N-O 3.35Å; R276-F281 WeakPolarHBondContact O-CA 3.28Å; R276-F281 VanDerWaalsContact O-CB 3.23Å; R276-F281 WeakPolarHBondContact O-CB 3.48Å; R276-F281 PolarHBondContact O-N 2.89Å; R276-F281 VanDerWaalsContact O-N 3.16Å; G278-F281 VanDerWaalsContact O-CB 3.28Å; G278-F281 WeakPolarHBondContact O-CB 3.37Å; G278-F281 PolarHBondContact O-N 3.44Å; I279-F281 VanDerWaalsContact C-N 3.26Å; I279-F281 PolarHBondContact O-N 3.1Å
282H91.9Very high89.3Confident8 Ų852.1 Ų52.14%0.03730%0.302CS..SBendtrans-109.3137.2-179.6-72.3-59.1000111.7I147 R261 T262 D273 E280 V284I147-H282 HydrophobicContact CD1-CB 3.79Å; I147-H282 HydrophobicContact CG1-CB 4.17Å; I147-H282 HydrophobicContact CG2-CB 3.84Å; R261-H282 WeakPolarHBondContact CA-NE2 3.28Å; R261-H282 WeakPolarHBondContact CB-NE2 3.4Å; T262-H282 PolarHBondContact N-NE2 3.14Å; D273-H282 VanDerWaalsContact CG-ND1 3.28Å; D273-H282 VanDerWaalsContact OD1-CA 3.25Å; D273-H282 WeakPolarHBondContact OD1-CA 3.36Å; D273-H282 IonicContact OD1-CG 3.31Å; D273-H282 IonicContact OD1-ND1 2.74Å; D273-H282 PolarHBondContact OD1-ND1 2.82Å; D273-H282 IonicContact OD2-CE1 3.8Å; D273-H282 IonicContact OD2-ND1 3.87Å; D273-H282 PolarHBondContact OD2-ND1 2.83Å; E280-H282 PolarHBondContact O-N 2.77Å; H282-V284 PolarHBondContact O-N 2.83Å
283S91.9Very high88.6Confident28 Ų2854.9 Ų54.920%0.19630%0.299CS..  trans-79.7118.1167.5-59.30000108.8G272 D273 L286 R288G272-S283 PolarHBondContact O-OG 3.27Å; D273-S283 PolarHBondContact OD1-N 2.95Å; S283-L286 VanDerWaalsContact CB-CD1 3.41Å; S283-R288 PolarHBondContact O-NH2 2.98Å
284V93.3Very high88.1Confident75 Ų7557 Ų5746%0.45533%0.328SS..THydrogen-bonded Turntrans-78.3159179.2-64.50000111.8D144 I147 H282 L286D144-V284 WeakPolarHBondContact OD1-CA 3.49Å; I147-V284 HydrophobicContact CB-CG1 4.4Å; I147-V284 HydrophobicContact CG2-CG1 3.87Å; H282-V284 PolarHBondContact O-N 2.83Å; V284-L286 PolarHBondContact O-N 3.34Å
285G92.4Very high87.8Confident35 Ų3558.3 Ų58.336%0.36133%0.327SS..THydrogen-bonded Turntrans78.1-10.4177.800000115.1D144D144-G285 PolarHBondContact OD1-N 3.46Å; D144-G285 PolarHBondContact OD2-N 2.83Å
286L94.3Very high87.7Confident39 Ų3960.4 Ų60.420%0.20433%0.329CS..  trans-77.5150.2179.1-57-173.8000112.8L271 S283 V284L271-L286 HydrophobicContact CB-CD1 4.04Å; L271-L286 HydrophobicContact CB-CD2 4.39Å; L271-L286 HydrophobicContact CD2-CD1 4.48Å; L271-L286 VanDerWaalsContact O-CD1 3.22Å; L271-L286 WeakPolarHBondContact O-CD1 3.32Å; S283-L286 VanDerWaalsContact CB-CD1 3.41Å; V284-L286 PolarHBondContact O-N 3.34Å
287L95.7Very high87.7Confident22 Ų2253.8 Ų53.812%0.11531%0.305CS..  trans-72.1143.6171.3-61.1-177.3000111.1C266 V267 M300 D304 L491C266-L287 WeakPolarHBondContact CA-O 3.47Å; V267-L287 HydrophobicContact CG2-CB 3.73Å; V267-L287 PolarHBondContact N-O 2.87Å; V267-L287 VanDerWaalsContact N-O 3.07Å; L287-M300 HydrophobicContact CB-CE 3.91Å; L287-M300 HydrophobicContact CD1-CE 4.29Å; L287-D304 HydrophobicContact CD2-CB 4.27Å; L287-L491 HydrophobicContact CD1-CB 4.37Å; L287-L491 HydrophobicContact CD2-CD2 3.62Å
288R95.6Very high87.7Confident0 Ų049.4 Ų49.40%028%0.277CS..EExtended strand (participates in β ladder)trans-134.1149.6-174.1-63.4-179.6177.5-94-7.3112.8A264 K265 D273 S283 M300 S301 D304A264-R288 HydrophobicContact CB-CB 3.87Å; A264-R288 PolarHBondContact O-NH1 3.2Å; A264-R288 VanDerWaalsContact O-NH1 3.13Å; K265-R288 CarbonylContact O-C 3.47Å; K265-R288 WeakPolarHBondContact O-CA 3.35Å; K265-R288 WeakPolarHBondContact O-CB 3.3Å; D273-R288 IonicContact OD1-CZ 2.83Å; D273-R288 IonicContact OD1-NH1 3.96Å; D273-R288 PolarHBondContact OD1-NH1 3.29Å; D273-R288 IonicContact OD1-NH2 3.1Å; D273-R288 PolarHBondContact OD1-NH2 3.06Å; D273-R288 IonicContact OD2-CZ 3.7Å; D273-R288 IonicContact OD2-NH1 3.87Å; D273-R288 PolarHBondContact OD2-NH1 3Å; D273-R288 IonicContact OD2-NH2 2.63Å; S283-R288 PolarHBondContact O-NH2 2.98Å; R288-M300 CarbonylContact O-C 3.51Å; R288-M300 WeakPolarHBondContact O-CA 3.25Å; R288-S301 WeakPolarHBondContact O-CB 3.34Å; R288-S301 PolarHBondContact O-N 3.1Å; R288-D304 PolarHBondContact N-OD2 3.42Å
289V94.3Very high88.1Confident12 Ų1249.9 Ų49.97%0.07328%0.279CS..EExtended strand (participates in β ladder)trans-108.3146.8170.9-64.70000110.6A264 K265 V267 S299 M300 V495A264-V289 CarbonylContact C-O 3.26Å; A264-V289 VanDerWaalsContact CA-O 3.27Å; A264-V289 WeakPolarHBondContact CA-O 3.33Å; A264-V289 WeakPolarHBondContact CB-O 3.27Å; K265-V289 HydrophobicContact CB-CG2 4.44Å; K265-V289 PolarHBondContact N-O 3.43Å; K265-V289 PolarHBondContact O-N 2.77Å; V267-V289 HydrophobicContact CG2-CG1 4.23Å; V289-S299 WeakPolarHBondContact CA-O 3.49Å; V289-M300 HydrophobicContact CG1-SD 4.02Å; V289-V495 HydrophobicContact CG1-CG2 4.01Å
290K92.9Very high88.6Confident4 Ų445.3 Ų45.32%0.01726%0.256CS..  trans-69.5154.4-178.8-68.7-179.5178.3-171.70111.9C70 D85 H87 G292 T297 S299 M300 C302C70-K290 HydrophobicContact CB-CB 4.39Å; C70-K290 HydrophobicContact CB-CD 4.34Å; D85-K290 IonicContact OD1-NZ 3.12Å; D85-K290 PolarHBondContact OD1-NZ 2.98Å; D85-K290 WeakPolarHBondContact OD2-CD 3.33Å; D85-K290 VanDerWaalsContact OD2-CE 3.31Å; D85-K290 WeakPolarHBondContact OD2-CE 3.4Å; D85-K290 IonicContact OD2-NZ 3.52Å; D85-K290 PolarHBondContact OD2-NZ 3.37Å; H87-K290 PolarHBondContact ND1-NZ 3.33Å; K290-G292 PolarHBondContact O-N 3.29Å; K290-T297 HydrophobicContact CB-CG2 3.79Å; K290-T297 WeakPolarHBondContact O-CG2 3.19Å; K290-S299 PolarHBondContact N-O 2.56Å; K290-M300 WeakPolarHBondContact CE-O 3.4Å; K290-C302 VanDerWaalsContact CE-SG 3.54Å; K290-C302 PolarHBondContact NZ-SG 2.85Å
291P81.1Confident89.1Confident74 Ų7440.5 Ų40.548%0.48123%0.233SC..  trans-70.7114.6166.129.3-30.8000108.8G263G263-P291 WeakPolarHBondContact O-CD 3.47Å; G263-P291 WeakPolarHBondContact O-CG 3.42Å
292G76.5Confident89.5Confident20 Ų2038 Ų3821%0.20622%0.222CC..  trans-73.1158.2177.700000113K290 G294 D295K290-G292 PolarHBondContact O-N 3.29Å; G292-G294 PolarHBondContact O-N 3.08Å; G292-G294 VanDerWaalsContact O-N 3.11Å; G292-D295 WeakPolarHBondContact CA-O 3.21Å
293R72.6Confident89.8Confident99 Ų9937.6 Ų37.637%0.37422%0.221SC..BIsolated β-bridgetrans-74.894169.2-104.8-168.1179.7-128.5-0.7110.3K69 C70 N416K69-R293 HydrophobicContact CD-CG 4.44Å; C70-R293 PolarHBondContact O-N 2.82Å; R293-N416 PolarHBondContact NH1-OD1 3.16Å
294G80.1Confident90.1Very high72 Ų7236.3 Ų36.374%0.74221%0.211SC*.SBendtrans91.9-110.8-173.900000108.5G292G292-G294 PolarHBondContact O-N 3.08Å; G292-G294 VanDerWaalsContact O-N 3.11Å
295D82.1Confident90.4Very high85 Ų8534 Ų3446%0.45520%0.195SC..SBendtrans-60.9153.5178.3-61.2-11.3000111.9G72 N74 G292 T297G72-D295 VanDerWaalsContact CA-O 3.22Å; G72-D295 WeakPolarHBondContact CA-O 3.11Å; N74-D295 VanDerWaalsContact CB-OD2 3.22Å; N74-D295 WeakPolarHBondContact CB-OD2 3.32Å; N74-D295 PolarHBondContact ND2-OD2 3.48Å; N74-D295 PolarHBondContact OD1-OD2 3.38Å; G292-D295 WeakPolarHBondContact CA-O 3.21Å; D295-T297 PolarHBondContact O-N 2.9Å
296R84.3Confident90.7Very high188 Ų18832.5 Ų32.571%0.70918%0.179SC*.PPolyproline II helixtrans-55.4141.6175.4-68.7-174.9-178.5-170.21.8109.7Q73Q73-R296 WeakPolarHBondContact CB-O 3.4Å; Q73-R296 PolarHBondContact N-O 2.89Å
297T87.9Confident90.9Very high8 Ų830.6 Ų30.65%0.04917%0.169CC..PPolyproline II helixtrans-94.4153.3174.2-167.40000109.6C70 I71 K290 D295 S299C70-T297 HydrophobicContact CB-CG2 4.41Å; C70-T297 PolarHBondContact SG-OG1 3.05Å; I71-T297 WeakPolarHBondContact O-CB 3.41Å; I71-T297 PolarHBondContact O-OG1 3.46Å; K290-T297 HydrophobicContact CB-CG2 3.79Å; K290-T297 WeakPolarHBondContact O-CG2 3.19Å; D295-T297 PolarHBondContact O-N 2.9Å; T297-S299 PolarHBondContact OG1-N 3Å
298S86.6Confident91Very high14 Ų1431.7 Ų31.710%0.09817%0.172CC..  trans-87.25.3168.955.90000112.5M76 M300 N497M76-S298 PolarHBondContact SD-OG 3.21Å; M76-S298 VanDerWaalsContact SD-OG 3.4Å; S298-M300 PolarHBondContact O-N 3.17Å; S298-N497 WeakPolarHBondContact CB-OD1 3.34Å; S298-N497 PolarHBondContact OG-OD1 2.85Å
299S94.4Very high91.1Very high12 Ų1232.5 Ų32.58%0.08418%0.175CC..PPolyproline II helixtrans-80.2118.7-177.5-159.90000111.7C70 D85 V289 K290 T297 K305C70-S299 WeakPolarHBondContact SG-CB 3.5Å; D85-S299 PolarHBondContact OD2-OG 3.04Å; V289-S299 WeakPolarHBondContact CA-O 3.49Å; K290-S299 PolarHBondContact N-O 2.56Å; T297-S299 PolarHBondContact OG1-N 3Å; S299-K305 PolarHBondContact OG-NZ 3.38Å
300M96.9Very high91.3Very high2 Ų232.4 Ų32.41%0.0117%0.174CC..BIsolated β-bridgetrans-58.5157.7171.4-56.5-57.2-70.400112.1V267 L287 R288 V289 K290 S298 D304 K305 W494 V495V267-M300 HydrophobicContact CG2-CE 3.88Å; V267-M300 HydrophobicContact CG2-SD 4.43Å; L287-M300 HydrophobicContact CB-CE 3.91Å; L287-M300 HydrophobicContact CD1-CE 4.29Å; R288-M300 CarbonylContact O-C 3.51Å; R288-M300 WeakPolarHBondContact O-CA 3.25Å; V289-M300 HydrophobicContact CG1-SD 4.02Å; K290-M300 WeakPolarHBondContact CE-O 3.4Å; S298-M300 PolarHBondContact O-N 3.17Å; M300-D304 HydrophobicContact CB-CB 4.46Å; M300-K305 HydrophobicContact CB-CG 4.27Å; M300-K305 WeakPolarHBondContact O-CE 3.49Å; M300-K305 PolarHBondContact O-NZ 2.82Å; M300-W494 HydrophobicContact CB-CH2 3.96Å; M300-W494 HydrophobicContact CB-CZ2 4.01Å; M300-W494 HydrophobicContact CB-CZ3 4.3Å; M300-W494 HydrophobicContact CE-CD2 4.24Å; M300-W494 HydrophobicContact CE-CE3 4.05Å; M300-W494 HydrophobicContact CG-CD2 3.76Å; M300-W494 VanDerWaalsContact CG-CE2 3.48Å; M300-W494 HydrophobicContact CG-CE3 4.05Å; M300-W494 HydrophobicContact CG-CG 4.38Å; M300-W494 HydrophobicContact CG-CH2 3.9Å; M300-W494 HydrophobicContact CG-CZ2 3.57Å; M300-W494 HydrophobicContact CG-CZ3 4.12Å; M300-W494 HydrophobicContact SD-CD2 4.41Å; M300-V495 HydrophobicContact SD-CB 3.76Å; M300-V495 HydrophobicContact SD-CG2 4.02Å; M300-V495 PolarHBondContact SD-N 2.85Å; M300-V495 VanDerWaalsContact SD-N 3.44Å
301S97.4Very high91.6Very high0 Ų032.2 Ų32.20%017%0.173CC..PPolyproline II helixtrans-62.9160.4178.283.40000112.3C142 R288 S303 D304 K305C142-S301 VanDerWaalsContact O-CB 3.27Å; C142-S301 WeakPolarHBondContact O-CB 3.5Å; C142-S301 PolarHBondContact O-OG 3.23Å; R288-S301 WeakPolarHBondContact O-CB 3.34Å; R288-S301 PolarHBondContact O-N 3.1Å; S301-S303 VanDerWaalsContact C-N 3.33Å; S301-D304 WeakPolarHBondContact CB-OD2 3.04Å; S301-D304 PolarHBondContact OG-N 3.05Å; S301-D304 PolarHBondContact OG-OD2 3.12Å; S301-K305 VanDerWaalsContact O-CG 3.32Å; S301-K305 WeakPolarHBondContact O-CG 3.04Å; S301-K305 PolarHBondContact O-N 3.35Å; S301-K305 VanDerWaalsContact O-N 3.14Å
302C98.1Very high92.4Very high1 Ų128.7 Ų28.71%0.00715%0.15CC..Hα-helixtrans-67.5-36.5178-70.30000111.2E89 P141 C142 K290 K305 L306E89-C302 HydrophobicContact CG-CB 4.4Å; E89-C302 VanDerWaalsContact OE1-CB 3.28Å; E89-C302 WeakPolarHBondContact OE1-CB 3.45Å; E89-C302 PolarHBondContact OE1-SG 3.35Å; E89-C302 PolarHBondContact OE2-SG 3.45Å; P141-C302 HydrophobicContact CB-CB 3.77Å; C142-C302 PolarHBondContact O-N 2.99Å; C142-C302 PolarHBondContact SG-N 2.92Å; K290-C302 VanDerWaalsContact CE-SG 3.54Å; K290-C302 PolarHBondContact NZ-SG 2.85Å; C302-K305 PolarHBondContact O-N 3.07Å; C302-L306 WeakPolarHBondContact O-CB 3.37Å; C302-L306 WeakPolarHBondContact O-CG 3.31Å; C302-L306 PolarHBondContact O-N 3.19Å
303S98.2Very high93.4Very high0 Ų027.8 Ų27.80%014%0.141CC..Hα-helixtrans-57.5-51.3174-49.10000111.6P141 C142 D144 A145 S301 K305 L306 A307P141-S303 PolarHBondContact O-OG 3.31Å; C142-S303 PolarHBondContact O-N 3Å; C142-S303 PolarHBondContact O-OG 2.68Å; C142-S303 VanDerWaalsContact O-OG 3.13Å; D144-S303 PolarHBondContact N-OG 3.02Å; A145-S303 WeakPolarHBondContact CB-OG 3.45Å; A145-S303 PolarHBondContact N-OG 3.48Å; A145-S303 VanDerWaalsContact N-OG 3.14Å; S301-S303 VanDerWaalsContact C-N 3.33Å; S303-K305 VanDerWaalsContact C-N 3.27Å; S303-K305 PolarHBondContact O-N 3.45Å; S303-L306 PolarHBondContact O-N 2.74Å; S303-A307 PolarHBondContact O-N 3.32Å
304D98.2Very high94.6Very high0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-64.1-35.5-178.7-53.2-37.2000111.6L287 R288 M300 S301 R308 R351 W494L287-D304 HydrophobicContact CD2-CB 4.27Å; R288-D304 PolarHBondContact N-OD2 3.42Å; M300-D304 HydrophobicContact CB-CB 4.46Å; S301-D304 WeakPolarHBondContact CB-OD2 3.04Å; S301-D304 PolarHBondContact OG-N 3.05Å; S301-D304 PolarHBondContact OG-OD2 3.12Å; D304-R308 PolarHBondContact O-N 3.34Å; D304-R351 IonicContact OD1-CZ 3.26Å; D304-R351 IonicContact OD1-NH1 3.58Å; D304-R351 PolarHBondContact OD1-NH1 3Å; D304-W494 HydrophobicContact CB-CZ3 3.91Å; D304-W494 WeakPolarHBondContact O-CZ3 3.39Å
305K98.3Very high95.5Very high27 Ų2719.9 Ų19.912%0.1179%0.089CC..Hα-helixtrans-69.6-39.2176.1-73.4174.1-178.8-179.40112.6D85 I90 S299 M300 S301 C302 S303 R308 W309 W494D85-K305 IonicContact OD2-NZ 2.88Å; D85-K305 PolarHBondContact OD2-NZ 3.13Å; I90-K305 HydrophobicContact CD1-CB 4.27Å; I90-K305 HydrophobicContact CD1-CD 3.42Å; I90-K305 VanDerWaalsContact CD1-CD 3.42Å; I90-K305 HydrophobicContact CD1-CG 4.49Å; I90-K305 HydrophobicContact CG1-CD 4.29Å; S299-K305 PolarHBondContact OG-NZ 3.38Å; M300-K305 HydrophobicContact CB-CG 4.27Å; M300-K305 WeakPolarHBondContact O-CE 3.49Å; M300-K305 PolarHBondContact O-NZ 2.82Å; S301-K305 VanDerWaalsContact O-CG 3.32Å; S301-K305 WeakPolarHBondContact O-CG 3.04Å; S301-K305 PolarHBondContact O-N 3.35Å; S301-K305 VanDerWaalsContact O-N 3.14Å; C302-K305 PolarHBondContact O-N 3.07Å; S303-K305 VanDerWaalsContact C-N 3.27Å; S303-K305 PolarHBondContact O-N 3.45Å; K305-R308 WeakPolarHBondContact O-CB 3.36Å; K305-R308 PolarHBondContact O-N 3.23Å; K305-W309 HydrophobicContact CB-CZ2 4.03Å; K305-W309 PolarHBondContact O-N 3.14Å; K305-W309 PolarHBondContact O-NE1 3.45Å; K305-W494 HydrophobicContact CG-CH2 3.78Å; K305-W494 HydrophobicContact CG-CZ2 4.33Å
306L98.5Very high96.3Very high3 Ų316 Ų162%0.0167%0.07CC..Hα-helixtrans-63.9-44173.5-79.2163.6000111.1F135 P141 C302 S303 R308 W309 N310 I332 I348F135-L306 HydrophobicContact CD1-CD2 4.26Å; F135-L306 HydrophobicContact CE1-CD2 4.17Å; P141-L306 HydrophobicContact CB-CD1 3.73Å; P141-L306 HydrophobicContact CG-CD1 3.34Å; C302-L306 WeakPolarHBondContact O-CB 3.37Å; C302-L306 WeakPolarHBondContact O-CG 3.31Å; C302-L306 PolarHBondContact O-N 3.19Å; S303-L306 PolarHBondContact O-N 2.74Å; L306-R308 VanDerWaalsContact C-N 3.26Å; L306-R308 PolarHBondContact O-N 3.18Å; L306-W309 HydrophobicContact CD2-CE3 3.52Å; L306-W309 HydrophobicContact CD2-CZ3 3.58Å; L306-W309 HydrophobicContact CG-CE3 4.23Å; L306-W309 HydrophobicContact CG-CZ3 4.16Å; L306-W309 PolarHBondContact O-N 3.14Å; L306-N310 WeakPolarHBondContact O-CB 3.4Å; L306-N310 PolarHBondContact O-N 3.41Å; L306-I332 HydrophobicContact CD2-CD1 4.21Å; L306-I348 HydrophobicContact CB-CD1 4.3Å; L306-I348 HydrophobicContact CB-CG1 4.24Å; L306-I348 HydrophobicContact CB-CG2 4.49Å; L306-I348 HydrophobicContact CD1-CD1 4.26Å
307A98.4Very high96.9Very high0 Ų07.3 Ų7.30%04%0.038CC..Hα-helixtrans-56.3-41.5173.500000111.9S303 N310 R351S303-A307 PolarHBondContact O-N 3.32Å; A307-N310 WeakPolarHBondContact O-CB 3.38Å; A307-N310 PolarHBondContact O-N 3.14Å; A307-R351 HydrophobicContact CB-CG 4.39Å
308R98.4Very high97.4Very high45 Ų457.8 Ų7.817%0.174%0.04CC..Hα-helixtrans-63.9-41.6173.6177.2-177167.6159.88112.8D304 K305 L306 N310 V311 L312 Y479 W483 L486 L491 W494D304-R308 PolarHBondContact O-N 3.34Å; K305-R308 WeakPolarHBondContact O-CB 3.36Å; K305-R308 PolarHBondContact O-N 3.23Å; L306-R308 VanDerWaalsContact C-N 3.26Å; L306-R308 PolarHBondContact O-N 3.18Å; R308-N310 VanDerWaalsContact C-N 3.25Å; R308-N310 PolarHBondContact O-N 2.97Å; R308-V311 PolarHBondContact O-N 3.08Å; R308-L312 HydrophobicContact CG-CD1 3.94Å; R308-L312 HydrophobicContact CG-CG 4.42Å; R308-L312 WeakPolarHBondContact O-CB 3.43Å; R308-L312 PolarHBondContact O-N 2.8Å; R308-Y479 PolarHBondContact NH2-OH 3.07Å; R308-W483 HydrophobicContact CG-CE3 4.3Å; R308-W483 HydrophobicContact CG-CZ3 3.84Å; R308-L486 HydrophobicContact CB-CD2 4.4Å; R308-L486 HydrophobicContact CG-CD2 4.07Å; R308-L491 HydrophobicContact CB-CD1 4.26Å; R308-W494 HydrophobicContact CB-CH2 4.15Å; R308-W494 HydrophobicContact CB-CZ3 4.21Å
309W98.4Very high98Very high17 Ų177.3 Ų7.36%0.0644%0.036CC..Hα-helixtrans-68.9-28.2178.2-55-14000111.9I90 K93 F135 K305 L306 V311 G313I90-W309 HydrophobicContact CD1-CH2 3.78Å; I90-W309 HydrophobicContact CD1-CZ2 3.76Å; K93-W309 HydrophobicContact CB-CE3 4.48Å; K93-W309 HydrophobicContact CB-CH2 3.38Å; K93-W309 HydrophobicContact CB-CZ2 3.78Å; K93-W309 HydrophobicContact CB-CZ3 3.77Å; K93-W309 HydrophobicContact CD-CH2 4.36Å; K93-W309 HydrophobicContact CD-CZ2 3.85Å; K93-W309 HydrophobicContact CG-CD2 4.13Å; K93-W309 HydrophobicContact CG-CE3 4.13Å; K93-W309 HydrophobicContact CG-CH2 3.63Å; K93-W309 HydrophobicContact CG-CZ2 3.58Å; K93-W309 HydrophobicContact CG-CZ3 3.9Å; F135-W309 HydrophobicContact CE2-CZ3 4.12Å; F135-W309 HydrophobicContact CZ-CZ3 4.22Å; K305-W309 HydrophobicContact CB-CZ2 4.03Å; K305-W309 PolarHBondContact O-N 3.14Å; K305-W309 PolarHBondContact O-NE1 3.45Å; L306-W309 HydrophobicContact CD2-CE3 3.52Å; L306-W309 HydrophobicContact CD2-CZ3 3.58Å; L306-W309 HydrophobicContact CG-CE3 4.23Å; L306-W309 HydrophobicContact CG-CZ3 4.16Å; L306-W309 PolarHBondContact O-N 3.14Å; W309-V311 PolarHBondContact O-N 2.82Å; W309-G313 CarbonylContact O-C 3.56Å; W309-G313 WeakPolarHBondContact O-CA 3.5Å; W309-G313 PolarHBondContact O-N 2.8Å
310N98.1Very high98.1Very high9 Ų97.1 Ų7.15%0.0483%0.034CC..Hα-helixtrans-64.7-20.3176.7-159.153.6000113.3L306 A307 R308 I348 Q365 V367L306-N310 WeakPolarHBondContact O-CB 3.4Å; L306-N310 PolarHBondContact O-N 3.41Å; A307-N310 WeakPolarHBondContact O-CB 3.38Å; A307-N310 PolarHBondContact O-N 3.14Å; R308-N310 VanDerWaalsContact C-N 3.25Å; R308-N310 PolarHBondContact O-N 2.97Å; N310-I348 HydrophobicContact CB-CG2 4.39Å; N310-Q365 PolarHBondContact ND2-O 3.49Å; N310-Q365 WeakPolarHBondContact O-CG 3.5Å; N310-Q365 PolarHBondContact O-N 3.45Å; N310-Q365 WeakPolarHBondContact OD1-CB 3.34Å; N310-V367 WeakPolarHBondContact OD1-CB 3.46Å; N310-V367 WeakPolarHBondContact OD1-CG1 3.12Å
311V98.3Very high98.2Very high0 Ų07 Ų70%03%0.034CC..Hα-helixtrans-109-44.9178.2178.70000111.6R308 W309 Y328 C352 I355 L358 T364 L486R308-V311 PolarHBondContact O-N 3.08Å; W309-V311 PolarHBondContact O-N 2.82Å; V311-Y328 VanDerWaalsContact O-CE1 3.29Å; V311-Y328 WeakPolarHBondContact O-CE1 3.25Å; V311-Y328 PolarHBondContact O-OH 2.86Å; V311-C352 HydrophobicContact CG2-CB 3.81Å; V311-I355 HydrophobicContact CG1-CD1 4.49Å; V311-I355 HydrophobicContact CG2-CD1 4.15Å; V311-L358 HydrophobicContact CG1-CD1 3.91Å; V311-L358 HydrophobicContact CG1-CD2 4.02Å; V311-T364 HydrophobicContact CG2-CG2 4.28Å; V311-L486 HydrophobicContact CB-CD1 4.39Å; V311-L486 HydrophobicContact CB-CD2 3.97Å; V311-L486 HydrophobicContact CG1-CB 4.41Å; V311-L486 HydrophobicContact CG1-CD1 4.39Å; V311-L486 HydrophobicContact CG1-CD2 4.13Å; V311-L486 HydrophobicContact CG2-CD1 4.17Å
312L98.3Very high98.2Very high0 Ų07 Ų70%03%0.034CC..Hα-helixtrans-92.9-6-175.6-61.5-174.3000114.9R308 Q315 F362 Y479 A482 W483 L486R308-L312 HydrophobicContact CG-CD1 3.94Å; R308-L312 HydrophobicContact CG-CG 4.42Å; R308-L312 WeakPolarHBondContact O-CB 3.43Å; R308-L312 PolarHBondContact O-N 2.8Å; L312-Q315 PolarHBondContact O-NE2 3.49Å; L312-Q315 PolarHBondContact O-OE1 2.95Å; L312-F362 HydrophobicContact CD2-CD1 4.13Å; L312-F362 HydrophobicContact CD2-CE1 4.16Å; L312-Y479 HydrophobicContact CB-CE2 3.83Å; L312-Y479 HydrophobicContact CD1-CE1 4.31Å; L312-Y479 HydrophobicContact CD1-CE2 4.21Å; L312-A482 HydrophobicContact CD2-CB 3.57Å; L312-W483 HydrophobicContact CD1-CB 3.79Å; L312-W483 HydrophobicContact CD1-CD2 4.03Å; L312-W483 HydrophobicContact CD1-CE3 3.56Å; L312-W483 HydrophobicContact CD1-CG 4.17Å; L312-W483 HydrophobicContact CD1-CZ3 4.43Å; L312-L486 HydrophobicContact CD1-CD2 4.15Å; L312-L486 HydrophobicContact CD2-CD2 4.38Å; L312-L486 HydrophobicContact CG-CD2 3.85Å
313G98.3Very high98.1Very high1 Ų17.1 Ų7.11%0.013%0.034CC..  trans73.9171-170.600000114.1W309 Q315 V327W309-G313 CarbonylContact O-C 3.56Å; W309-G313 WeakPolarHBondContact O-CA 3.5Å; W309-G313 PolarHBondContact O-N 2.8Å; G313-Q315 VanDerWaalsContact CA-OE1 3.26Å; G313-V327 CarbonylContact C-O 3.58Å; G313-V327 WeakPolarHBondContact CA-O 3.32Å
314C97.9Very high98.1Very high4 Ų48.3 Ų8.33%0.0274%0.04CC..SBendtrans-88.1-14.8-175.5-64.10000113.7K93 F96 G316 V327K93-C314 WeakPolarHBondContact CE-O 3.49Å; K93-C314 PolarHBondContact NZ-O 3.19Å; F96-C314 HydrophobicContact CD1-CB 3.93Å; F96-C314 HydrophobicContact CE1-CB 3.91Å; C314-G316 PolarHBondContact O-N 3.08Å; C314-V327 PolarHBondContact N-O 2.89Å
315Q98.4Very high98Very high1 Ų113.9 Ų13.91%0.0056%0.061CC..SBendtrans-65.9-38.3-17677.1-65.7-15.600112.9Q97 L100 L312 G313 L319 M320 L323 V327Q97-Q315 PolarHBondContact NE2-O 2.98Å; L100-Q315 HydrophobicContact CD1-CB 4.14Å; L312-Q315 PolarHBondContact O-NE2 3.49Å; L312-Q315 PolarHBondContact O-OE1 2.95Å; G313-Q315 VanDerWaalsContact CA-OE1 3.26Å; Q315-L319 HydrophobicContact CB-CB 3.81Å; Q315-L319 HydrophobicContact CB-CD1 4.25Å; Q315-L319 HydrophobicContact CG-CB 4.25Å; Q315-M320 HydrophobicContact CG-CB 4.43Å; Q315-M320 HydrophobicContact CG-SD 4.11Å; Q315-M320 PolarHBondContact NE2-SD 3.44Å; Q315-M320 VanDerWaalsContact NE2-SD 3.44Å; Q315-L323 HydrophobicContact CB-CD1 3.65Å; Q315-L323 HydrophobicContact CG-CD1 3.56Å; Q315-V327 HydrophobicContact CB-CG2 4.5Å
316G98.1Very high98Very high5 Ų513 Ų135%0.0526%0.059CC..Hα-helixtrans70.9170.8-173.300000114.3C314 L318 L319 M320C314-G316 PolarHBondContact O-N 3.08Å; G316-L318 PolarHBondContact O-N 3.39Å; G316-L319 PolarHBondContact O-N 3.02Å; G316-M320 PolarHBondContact O-N 3Å
317A97.9Very high98Very high5 Ų513 Ų134%0.0416%0.059CC..Hα-helixtrans-50.8-49.9-17000000115L319 M320 K473 A476 Y479A317-L319 PolarHBondContact O-N 3.39Å; A317-M320 VanDerWaalsContact O-CB 3.28Å; A317-M320 WeakPolarHBondContact O-CB 3.37Å; A317-M320 PolarHBondContact O-N 3.46Å; A317-K473 HydrophobicContact CB-CB 4.19Å; A317-K473 HydrophobicContact CB-CG 4.07Å; A317-A476 HydrophobicContact CB-CB 4.24Å; A317-A476 WeakPolarHBondContact O-CB 3.41Å; A317-Y479 HydrophobicContact CB-CD1 3.57Å; A317-Y479 HydrophobicContact CB-CE1 3.89Å; A317-Y479 HydrophobicContact CB-CG 4.09Å
318L98.2Very high98Very high18 Ų1814.5 Ų14.59%0.0947%0.065CC..Hα-helixtrans-58.8-50.6-176-67-172.7000112.6G316 M320 H321 F442 F445 Y469 K473G316-L318 PolarHBondContact O-N 3.39Å; L318-M320 PolarHBondContact O-N 3.17Å; L318-H321 WeakPolarHBondContact O-CB 3.46Å; L318-H321 PolarHBondContact O-CD2 2.83Å; L318-H321 PolarHBondContact O-N 3.45Å; L318-F442 HydrophobicContact CD1-CD2 3.98Å; L318-F445 HydrophobicContact CB-CD2 3.85Å; L318-F445 HydrophobicContact CB-CE2 3.99Å; L318-F445 HydrophobicContact CB-CG 4.23Å; L318-F445 HydrophobicContact CD1-CB 4.2Å; L318-F445 HydrophobicContact CD1-CD1 4.38Å; L318-F445 HydrophobicContact CD1-CG 4.12Å; L318-F445 HydrophobicContact CD2-CD1 4.4Å; L318-F445 HydrophobicContact CD2-CE1 4.32Å; L318-F445 HydrophobicContact CD2-CZ 4.49Å; L318-F445 WeakPolarHBondContact O-CE2 3.1Å; L318-Y469 HydrophobicContact CD1-CD2 4.09Å; L318-Y469 HydrophobicContact CD1-CE2 3.56Å; L318-Y469 HydrophobicContact CG-CE2 4.26Å; L318-K473 HydrophobicContact CD2-CG 3.91Å; L318-K473 HydrophobicContact CG-CG 4.24Å
319L98.4Very high98Very high3 Ų312.9 Ų12.92%0.0166%0.059CC..Hα-helixtrans-66.3-24.5178.7-81.4164.8000112.3Q97 L100 L101 Q315 G316 A317 H321 F322 L323Q97-L319 HydrophobicContact CB-CD1 4.3Å; L100-L319 HydrophobicContact CB-CD1 3.62Å; L100-L319 HydrophobicContact CB-CD2 4.37Å; L100-L319 HydrophobicContact CD1-CD1 4.06Å; L101-L319 HydrophobicContact CD2-CD2 3.63Å; L101-L319 HydrophobicContact CD2-CG 4.12Å; L101-L319 HydrophobicContact CG-CD1 4.34Å; L101-L319 HydrophobicContact CG-CD2 3.86Å; L101-L319 HydrophobicContact CG-CG 4.18Å; Q315-L319 HydrophobicContact CB-CB 3.81Å; Q315-L319 HydrophobicContact CB-CD1 4.25Å; Q315-L319 HydrophobicContact CG-CB 4.25Å; G316-L319 PolarHBondContact O-N 3.02Å; A317-L319 PolarHBondContact O-N 3.39Å; L319-H321 PolarHBondContact O-N 3.24Å; L319-F322 PolarHBondContact O-N 3.5Å; L319-F322 VanDerWaalsContact O-N 3.11Å; L319-L323 HydrophobicContact CB-CD1 4.21Å; L319-L323 WeakPolarHBondContact O-CG 3.18Å; L319-L323 PolarHBondContact O-N 3.2Å
320M98.1Very high98Very high8 Ų814.2 Ų14.24%0.0397%0.071CC..Hα-helixtrans-66.5-19.1179.1-158.862-137.200113.2K124 Q315 G316 A317 L318 F322 L323 P326 F362 Y479K124-M320 PolarHBondContact NZ-O 3.23Å; Q315-M320 HydrophobicContact CG-CB 4.43Å; Q315-M320 HydrophobicContact CG-SD 4.11Å; Q315-M320 PolarHBondContact NE2-SD 3.44Å; Q315-M320 VanDerWaalsContact NE2-SD 3.44Å; G316-M320 PolarHBondContact O-N 3Å; A317-M320 VanDerWaalsContact O-CB 3.28Å; A317-M320 WeakPolarHBondContact O-CB 3.37Å; A317-M320 PolarHBondContact O-N 3.46Å; L318-M320 PolarHBondContact O-N 3.17Å; M320-F322 PolarHBondContact O-N 2.95Å; M320-L323 HydrophobicContact CE-CB 3.95Å; M320-L323 WeakPolarHBondContact CE-O 3.43Å; M320-L323 PolarHBondContact O-N 3.02Å; M320-L323 HydrophobicContact SD-CB 4.04Å; M320-P326 HydrophobicContact SD-CG 4.35Å; M320-F362 HydrophobicContact CG-CZ 4.25Å; M320-F362 HydrophobicContact SD-CZ 4.21Å; M320-Y479 HydrophobicContact CB-CD2 4.31Å; M320-Y479 HydrophobicContact CG-CD2 4.35Å
321H97.4Very high98Very high1 Ų113.8 Ų13.81%0.0057%0.069CC..THydrogen-bonded Turntrans-55.7-42.5169.3-72.7-72.4000112K124 L318 L319 F445 P458 T460 L461 Y472 A476K124-H321 VanDerWaalsContact CD-O 3.31Å; K124-H321 WeakPolarHBondContact CD-O 3.43Å; K124-H321 WeakPolarHBondContact CE-O 3.49Å; K124-H321 PolarHBondContact NZ-O 3.44Å; L318-H321 WeakPolarHBondContact O-CB 3.46Å; L318-H321 PolarHBondContact O-CD2 2.83Å; L318-H321 PolarHBondContact O-N 3.45Å; L319-H321 PolarHBondContact O-N 3.24Å; H321-F445 AromaticContact CD2-CZ 3.73Å; H321-P458 WeakPolarHBondContact O-CB 3.02Å; H321-P458 VanDerWaalsContact O-CG 3.22Å; H321-P458 WeakPolarHBondContact O-CG 3.44Å; H321-T460 WeakPolarHBondContact ND1-CB 3.31Å; H321-T460 PolarHBondContact ND1-OG1 3.13Å; H321-L461 HydrophobicContact CB-CD1 3.78Å; H321-L461 HydrophobicContact CB-CD2 4.39Å; H321-L461 HydrophobicContact CB-CG 4.03Å; H321-Y472 PolarHBondContact CE1-O 3.49Å; H321-Y472 PolarHBondContact NE2-O 3.42Å; H321-A476 PolarHBondContact CE1-N 3.16Å
322F97.6Very high98Very high0 Ų014 Ų140%07%0.07CC..THydrogen-bonded Turntrans-92.5-10.6-175.8-62.6-68.2000113.6M104 K124 W125 L319 M320 F445 L448 V449 I452 L457 P458 L461M104-F322 HydrophobicContact CE-CB 3.66Å; M104-F322 HydrophobicContact CG-CB 4.1Å; M104-F322 HydrophobicContact CG-CD2 4.26Å; M104-F322 HydrophobicContact CG-CG 4.17Å; M104-F322 HydrophobicContact SD-CB 3.73Å; M104-F322 HydrophobicContact SD-CG 4.35Å; K124-F322 CarbonylContact C-O 3.46Å; K124-F322 WeakPolarHBondContact CA-O 3.32Å; W125-F322 PolarHBondContact N-O 2.93Å; L319-F322 PolarHBondContact O-N 3.5Å; L319-F322 VanDerWaalsContact O-N 3.11Å; M320-F322 PolarHBondContact O-N 2.95Å; F322-F445 AromaticContact CD2-CE2 3.96Å; F322-F445 HydrophobicContact CD2-CE2 3.96Å; F322-F445 AromaticContact CE2-CD2 3.97Å; F322-F445 HydrophobicContact CE2-CD2 3.97Å; F322-F445 AromaticContact CE2-CE2 3.37Å; F322-F445 HydrophobicContact CE2-CE2 3.37Å; F322-F445 HydrophobicContact CE2-CZ 4.04Å; F322-F445 HydrophobicContact CZ-CE2 4.33Å; F322-L448 HydrophobicContact CD2-CD2 4.04Å; F322-L448 HydrophobicContact CE2-CD2 3.61Å; F322-L448 HydrophobicContact CE2-CG 4.12Å; F322-L448 HydrophobicContact CZ-CD2 4.1Å; F322-L448 HydrophobicContact CZ-CG 4.13Å; F322-V449 HydrophobicContact CE2-CG2 4.36Å; F322-V449 HydrophobicContact CZ-CG2 3.88Å; F322-I452 HydrophobicContact CD1-CD1 4.42Å; F322-I452 HydrophobicContact CE1-CD1 3.65Å; F322-I452 HydrophobicContact CZ-CD1 4.09Å; F322-L457 HydrophobicContact CE1-CD2 4.11Å; F322-L457 HydrophobicContact CZ-CD2 4.48Å; F322-P458 HydrophobicContact CD1-CG 3.69Å; F322-P458 HydrophobicContact CE1-CG 4.06Å; F322-L461 HydrophobicContact CE1-CD1 3.88Å; F322-L461 HydrophobicContact CE2-CD1 4.19Å; F322-L461 HydrophobicContact CZ-CD1 3.63Å
323L97.7Very high98Very high2 Ų214 Ų141%0.017%0.07CC..BIsolated β-bridgetrans-98.9140.8-175.4-67.9166.3000110.7M104 F116 K124 W125 Q315 L319 M320 V327M104-L323 HydrophobicContact CE-CD2 3.63Å; M104-L323 HydrophobicContact CE-CG 4.01Å; F116-L323 HydrophobicContact CD1-CD2 3.99Å; F116-L323 HydrophobicContact CE1-CD2 3.4Å; F116-L323 VanDerWaalsContact CE1-CD2 3.4Å; F116-L323 HydrophobicContact CZ-CD2 3.85Å; K124-L323 PolarHBondContact NZ-O 3.03Å; W125-L323 WeakPolarHBondContact O-CA 3.33Å; Q315-L323 HydrophobicContact CB-CD1 3.65Å; Q315-L323 HydrophobicContact CG-CD1 3.56Å; L319-L323 HydrophobicContact CB-CD1 4.21Å; L319-L323 WeakPolarHBondContact O-CG 3.18Å; L319-L323 PolarHBondContact O-N 3.2Å; M320-L323 HydrophobicContact CE-CB 3.95Å; M320-L323 WeakPolarHBondContact CE-O 3.43Å; M320-L323 PolarHBondContact O-N 3.02Å; M320-L323 HydrophobicContact SD-CB 4.04Å; L323-V327 HydrophobicContact CD1-CG2 4.03Å
324Q96.4Very high98.1Very high25 Ų2514 Ų1412%0.1177%0.07CC..SBendtrans-82-36.3169.4-175.3163.5-17.400111.4T120 K124 W125 K126T120-Q324 VanDerWaalsContact OG1-CD 3.28Å; T120-Q324 PolarHBondContact OG1-NE2 2.79Å; T120-Q324 PolarHBondContact OG1-OE1 3.15Å; T120-Q324 VanDerWaalsContact OG1-OE1 3.09Å; K124-Q324 HydrophobicContact CB-CB 4.31Å; W125-Q324 PolarHBondContact O-N 2.8Å; K126-Q324 HydrophobicContact CG-CB 3.95Å; K126-Q324 VanDerWaalsContact NZ-NE2 3.2Å
325Y97.2Very high98.1Very high117 Ų11713.8 Ų13.846%0.4597%0.068SC..SBendtrans-127.9147.7177.1-56.7-67.2000110.9K126K126-Y325 HydrophobicContact CD-CD2 4.34Å; K126-Y325 HydrophobicContact CD-CE2 4Å; K126-Y325 HydrophobicContact CG-CD2 4.13Å; K126-Y325 HydrophobicContact CG-CE2 4.25Å
326P98.1Very high98Very high9 Ų918.5 Ų18.56%0.0589%0.089CC..  trans-61151.3174.3-19.432.6000111.9M320 Y328 G361 F362M320-P326 HydrophobicContact SD-CG 4.35Å; P326-Y328 HydrophobicContact CB-CD2 4.19Å; P326-Y328 HydrophobicContact CB-CE1 4.28Å; P326-Y328 HydrophobicContact CB-CE2 3.6Å; P326-Y328 HydrophobicContact CG-CE2 3.9Å; P326-Y328 WeakPolarHBondContact O-CD2 3.17Å; P326-G361 WeakPolarHBondContact CD-O 3.32Å; P326-F362 HydrophobicContact CB-CD1 4.4Å; P326-F362 HydrophobicContact CB-CE1 4.2Å; P326-F362 HydrophobicContact CG-CD1 3.46Å; P326-F362 VanDerWaalsContact CG-CD1 3.46Å; P326-F362 HydrophobicContact CG-CD2 4.32Å; P326-F362 HydrophobicContact CG-CE1 3.41Å; P326-F362 VanDerWaalsContact CG-CE1 3.41Å; P326-F362 HydrophobicContact CG-CE2 4.27Å; P326-F362 HydrophobicContact CG-CG 3.94Å; P326-F362 HydrophobicContact CG-CZ 3.84Å
327V98.4Very high97.9Very high3 Ų319 Ų192%0.0189%0.091CC..  trans-92.6106.9176.3179.10000108.6F96 L100 F116 F133 G313 C314 Q315 L323F96-V327 HydrophobicContact CE1-CG1 4.04Å; F96-V327 HydrophobicContact CZ-CG1 3.98Å; L100-V327 HydrophobicContact CD1-CB 4.47Å; L100-V327 HydrophobicContact CD1-CG2 4.42Å; F116-V327 HydrophobicContact CE1-CG2 4.47Å; F133-V327 HydrophobicContact CD2-CG1 3.71Å; F133-V327 HydrophobicContact CE2-CG1 3.74Å; G313-V327 CarbonylContact C-O 3.58Å; G313-V327 WeakPolarHBondContact CA-O 3.32Å; C314-V327 PolarHBondContact N-O 2.89Å; Q315-V327 HydrophobicContact CB-CG2 4.5Å; L323-V327 HydrophobicContact CD1-CG2 4.03Å
328Y98.4Very high97.8Very high31 Ų3120 Ų2012%0.12210%0.097CC..  trans-96.5160.9-177.4-67.8-71.6000113.2V311 P326 F362 L363 Q365V311-Y328 VanDerWaalsContact O-CE1 3.29Å; V311-Y328 WeakPolarHBondContact O-CE1 3.25Å; V311-Y328 PolarHBondContact O-OH 2.86Å; P326-Y328 HydrophobicContact CB-CD2 4.19Å; P326-Y328 HydrophobicContact CB-CE1 4.28Å; P326-Y328 HydrophobicContact CB-CE2 3.6Å; P326-Y328 HydrophobicContact CG-CE2 3.9Å; P326-Y328 WeakPolarHBondContact O-CD2 3.17Å; Y328-F362 WeakPolarHBondContact OH-CA 3.46Å; Y328-L363 HydrophobicContact CE2-CD2 4.46Å; Y328-L363 HydrophobicContact CE2-CG 4.47Å; Y328-L363 PolarHBondContact OH-N 3.09Å; Y328-L363 PolarHBondContact OH-O 3.15Å; Y328-Q365 HydrophobicContact CD1-CG 3.31Å; Y328-Q365 HydrophobicContact CD2-CG 4.27Å; Y328-Q365 HydrophobicContact CE1-CG 3.76Å; Y328-Q365 VanDerWaalsContact CE2-NE2 3.25Å; Y328-Q365 HydrophobicContact CG-CG 3.59Å
329L98.3Very high97.6Very high11 Ų1121 Ų216%0.05810%0.1CC..  trans-93.8130.6171.1-60.7170.4000108.7F133 F135 I332 V367F133-L329 HydrophobicContact CB-CD2 4.14Å; F135-L329 HydrophobicContact CB-CD1 3.59Å; F135-L329 HydrophobicContact CB-CD2 3.92Å; F135-L329 HydrophobicContact CB-CG 4.26Å; F135-L329 HydrophobicContact CD2-CD1 4.2Å; F135-L329 HydrophobicContact CG-CD1 4.04Å; L329-I332 HydrophobicContact CD1-CG1 4.48Å; L329-V367 HydrophobicContact CB-CG2 4.48Å
330S97.9Very high97.6Very high46 Ų4621.7 Ų21.732%0.32211%0.105SC..SBendtrans-84.2-23.9176.1-57.70000112.6I132 F133 K368I132-S330 WeakPolarHBondContact CB-OG 3.3Å; F133-S330 PolarHBondContact O-N 2.83Å; S330-K368 PolarHBondContact O-N 3.39Å; S330-K368 VanDerWaalsContact O-N 3.17Å
331A98.5Very high97.5Very high0 Ų025.1 Ų25.10%012%0.121CC..EExtended strand (participates in β ladder)trans-152155175.500000112.4W2 I134 F135 K368W2-A331 HydrophobicContact CH2-CB 3.47Å; W2-A331 VanDerWaalsContact CH2-CB 3.47Å; W2-A331 HydrophobicContact CZ2-CB 4Å; I134-A331 HydrophobicContact CG1-CB 4.25Å; I134-A331 HydrophobicContact CG2-CB 4.15Å; F135-A331 PolarHBondContact N-O 3.16Å; A331-K368 CarbonylContact C-O 3.46Å; A331-K368 WeakPolarHBondContact CA-O 3.49Å; A331-K368 HydrophobicContact CB-CB 3.88Å; A331-K368 WeakPolarHBondContact CB-O 3.49Å
332I98.8Very high97.5Very high4 Ų431.1 Ų31.12%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-120.4118.2168-62.5167.8000107.3F135 L306 L329 V334 M344 I348 V367 K368 L369 L370F135-I332 HydrophobicContact CB-CG1 4.23Å; F135-I332 HydrophobicContact CD1-CG2 4.35Å; F135-I332 CarbonylContact O-C 3.53Å; F135-I332 VanDerWaalsContact O-CA 3.31Å; F135-I332 WeakPolarHBondContact O-CA 3.45Å; L306-I332 HydrophobicContact CD2-CD1 4.21Å; L329-I332 HydrophobicContact CD1-CG1 4.48Å; I332-V334 HydrophobicContact CG2-CG2 4.46Å; I332-M344 HydrophobicContact CG2-CE 4.14Å; I332-I348 HydrophobicContact CD1-CD1 3.96Å; I332-I348 HydrophobicContact CD1-CG2 4.04Å; I332-V367 HydrophobicContact CD1-CG1 4.14Å; I332-V367 HydrophobicContact CD1-CG2 4.17Å; I332-V367 HydrophobicContact CG1-CG2 3.93Å; I332-K368 PolarHBondContact N-O 3.45Å; I332-L369 HydrophobicContact CB-CD2 3.96Å; I332-L369 HydrophobicContact CD1-CD2 4.09Å; I332-L369 HydrophobicContact CG1-CD2 4.47Å; I332-L370 PolarHBondContact O-N 3.15Å
333V98.8Very high97.5Very high0 Ų031.1 Ų31.10%015%0.149CC..EExtended strand (participates in β ladder)trans-105.7126.7177.1-179.90000109W2 A4 I7 I134 F135 F136 S137 L370W2-V333 HydrophobicContact CZ3-CG2 4.17Å; A4-V333 HydrophobicContact CB-CG1 3.89Å; I7-V333 HydrophobicContact CB-CG2 4.38Å; I7-V333 HydrophobicContact CG2-CB 4.34Å; I7-V333 HydrophobicContact CG2-CG2 4.19Å; I134-V333 HydrophobicContact CG2-CG2 3.78Å; F135-V333 PolarHBondContact O-N 2.87Å; F136-V333 CarbonylContact C-O 3.46Å; F136-V333 WeakPolarHBondContact CA-O 3.5Å; F136-V333 HydrophobicContact CD2-CB 4.1Å; F136-V333 HydrophobicContact CD2-CG1 3.94Å; F136-V333 WeakPolarHBondContact CD2-O 3.23Å; F136-V333 HydrophobicContact CE2-CG1 4.38Å; S137-V333 PolarHBondContact N-O 2.91Å; V333-L370 CarbonylContact C-O 3.59Å; V333-L370 WeakPolarHBondContact CA-O 3.48Å; V333-L370 HydrophobicContact CG2-CB 4.31Å; V333-L370 HydrophobicContact CG2-CD1 4.45Å
334V98.8Very high97.5Very high0 Ų031 Ų310%015%0.149CC..EExtended strand (participates in β ladder)trans-106.3131.5175.7-176.60000109.9S137 T140 I332 C337 Y339 M344 L370 Q371 S372S137-V334 CarbonylContact O-C 3.48Å; S137-V334 VanDerWaalsContact O-CA 3.25Å; S137-V334 WeakPolarHBondContact O-CA 3.36Å; T140-V334 HydrophobicContact CG2-CG1 4.07Å; I332-V334 HydrophobicContact CG2-CG2 4.46Å; V334-C337 VanDerWaalsContact CG1-SG 3.52Å; V334-Y339 HydrophobicContact CB-CD2 3.94Å; V334-Y339 HydrophobicContact CB-CE2 3.93Å; V334-Y339 HydrophobicContact CG1-CD2 4.11Å; V334-Y339 HydrophobicContact CG2-CD2 4.24Å; V334-Y339 HydrophobicContact CG2-CE2 3.89Å; V334-M344 HydrophobicContact CG2-CE 3.68Å; V334-M344 HydrophobicContact CG2-SD 4.38Å; V334-L370 PolarHBondContact N-O 3.22Å; V334-Q371 CarbonylContact O-C 3.42Å; V334-Q371 WeakPolarHBondContact O-CA 3.45Å; V334-S372 PolarHBondContact O-N 3.4Å
335G98.3Very high97.6Very high0 Ų033.4 Ų33.40%016%0.157CC..  trans-66.5176.2174.700000113.3S137 C337 S372S137-G335 PolarHBondContact O-N 3.24Å; G335-C337 PolarHBondContact O-N 3.3Å; G335-C337 PolarHBondContact O-SG 3.05Å; G335-S372 CarbonylContact C-O 3.5Å
336K97.3Very high97.6Very high101 Ų10130.5 Ų30.544%0.43915%0.145SC..SBendtrans-62.7111179-168-173.1-171.6175.50111.1S372 N373 L374 Q375K336-S372 PolarHBondContact N-O 2.96Å; K336-N373 WeakPolarHBondContact CD-O 3.49Å; K336-L374 PolarHBondContact N-O 2.76Å; K336-Q375 HydrophobicContact CB-CB 4.17Å; K336-Q375 HydrophobicContact CD-CB 4.12Å
337C95.5Very high97.6Very high14 Ų1430 Ų3010%0.09514%0.142CC..SBendtrans-167173178.1650000108.5H139 T140 V334 G335 Y339 Q371H139-C337 VanDerWaalsContact CA-SG 3.58Å; T140-C337 PolarHBondContact N-SG 3.05Å; T140-C337 VanDerWaalsContact N-SG 3.39Å; V334-C337 VanDerWaalsContact CG1-SG 3.52Å; G335-C337 PolarHBondContact O-N 3.3Å; G335-C337 PolarHBondContact O-SG 3.05Å; C337-Y339 PolarHBondContact O-N 2.95Å; C337-Q371 PolarHBondContact O-NE2 3.47Å
338P95.3Very high97.5Very high26 Ų2629.9 Ų29.917%0.16914%0.141CC..SBendtrans-52.4125.9169.5-27.836.9000111.3T140 I148 Y260T140-P338 WeakPolarHBondContact CG2-O 3.3Å; I148-P338 HydrophobicContact CD1-CB 4.49Å; I148-P338 WeakPolarHBondContact CD1-O 3.35Å; Y260-P338 HydrophobicContact CD1-CB 3.86Å; Y260-P338 HydrophobicContact CD1-CG 3.7Å; Y260-P338 HydrophobicContact CD2-CB 3.72Å; Y260-P338 HydrophobicContact CD2-CG 4.37Å; Y260-P338 HydrophobicContact CE1-CB 3.77Å; Y260-P338 HydrophobicContact CE1-CG 3.31Å; Y260-P338 HydrophobicContact CE2-CB 3.6Å; Y260-P338 HydrophobicContact CE2-CG 4.02Å; Y260-P338 HydrophobicContact CG-CB 3.83Å; Y260-P338 HydrophobicContact CG-CG 4.21Å; Y260-P338 VanDerWaalsContact CZ-CG 3.48Å
339Y95.4Very high97.5Very high41 Ų4128.5 Ų28.516%0.16114%0.136CC..  trans-144.6138.1-172.4-177.8-89.7000110.6T140 V334 C337 Q341 M344 Q371T140-Y339 HydrophobicContact CG2-CD2 4.1Å; V334-Y339 HydrophobicContact CB-CD2 3.94Å; V334-Y339 HydrophobicContact CB-CE2 3.93Å; V334-Y339 HydrophobicContact CG1-CD2 4.11Å; V334-Y339 HydrophobicContact CG2-CD2 4.24Å; V334-Y339 HydrophobicContact CG2-CE2 3.89Å; C337-Y339 PolarHBondContact O-N 2.95Å; Y339-Q341 HydrophobicContact CE1-CB 4.24Å; Y339-Q341 PolarHBondContact OH-OE1 2.85Å; Y339-M344 HydrophobicContact CD2-CG 4.18Å; Y339-M344 HydrophobicContact CE2-CE 4.46Å; Y339-M344 HydrophobicContact CE2-CG 3.62Å; Y339-M344 HydrophobicContact CE2-SD 4.42Å; Y339-Q371 VanDerWaalsContact CB-CD 3.4Å; Y339-Q371 HydrophobicContact CD1-CB 4.1Å; Y339-Q371 HydrophobicContact CD1-CG 4.41Å; Y339-Q371 HydrophobicContact CD2-CB 4.24Å; Y339-Q371 HydrophobicContact CD2-CG 4.21Å; Y339-Q371 HydrophobicContact CE1-CB 4.14Å; Y339-Q371 HydrophobicContact CE2-CB 4.26Å; Y339-Q371 HydrophobicContact CG-CB 4.17Å; Y339-Q371 HydrophobicContact CG-CG 4.07Å
340S97Very high97.4Very high17 Ų1732 Ų3212%0.11915%0.152CC..  trans-133.5130.1165.7152.60000108.3E342 A343 M344S340-E342 VanDerWaalsContact C-N 3.25Å; S340-E342 PolarHBondContact O-N 3.15Å; S340-E342 PolarHBondContact OG-N 3.44Å; S340-E342 PolarHBondContact OG-OE2 2.79Å; S340-A343 PolarHBondContact O-N 2.84Å; S340-A343 PolarHBondContact OG-N 2.85Å; S340-M344 WeakPolarHBondContact O-CG 3.17Å; S340-M344 PolarHBondContact O-N 3.16Å; S340-M344 VanDerWaalsContact O-N 3.07Å
341Q96.8Very high97.3Very high79 Ų7931.7 Ų31.737%0.36914%0.143SC..Hα-helixtrans-62-40.3177.6-174.268.73.900110.4Y339 M344 R345 L369Y339-Q341 HydrophobicContact CE1-CB 4.24Å; Y339-Q341 PolarHBondContact OH-OE1 2.85Å; Q341-M344 PolarHBondContact O-N 2.75Å; Q341-R345 WeakPolarHBondContact O-CB 3.27Å; Q341-R345 PolarHBondContact O-N 3.33Å; Q341-L369 PolarHBondContact NE2-O 3.44Å
342E96.7Very high97.1Very high127 Ų12731.7 Ų31.759%0.59314%0.143SC*.Hα-helixtrans-65.5-46.2-179.8-5669-148.600110.6S340 M344 R345 R346S340-E342 VanDerWaalsContact C-N 3.25Å; S340-E342 PolarHBondContact O-N 3.15Å; S340-E342 PolarHBondContact OG-N 3.44Å; S340-E342 PolarHBondContact OG-OE2 2.79Å; E342-M344 PolarHBondContact O-N 2.85Å; E342-R345 PolarHBondContact O-N 2.89Å; E342-R346 VanDerWaalsContact O-CB 3.24Å; E342-R346 WeakPolarHBondContact O-CB 3.16Å; E342-R346 PolarHBondContact O-N 3.4Å
343A97.1Very high96.8Very high1 Ų135.7 Ų35.71%0.00816%0.162CC..Hα-helixtrans-63.3-42.4177.500000112I148 S340 A347I148-A343 HydrophobicContact CG1-CB 3.98Å; S340-A343 PolarHBondContact O-N 2.84Å; S340-A343 PolarHBondContact OG-N 2.85Å; A343-A347 WeakPolarHBondContact O-CB 3.37Å; A343-A347 PolarHBondContact O-N 2.91Å
344M98Very high96.3Very high0 Ų043.7 Ų43.70%020%0.199CC..Hα-helixtrans-64.4-44.6175.6-74.2-72.6-65.600111.9T140 P141 A145 I332 V334 Y339 S340 Q341 E342 A347 I348 L369T140-M344 HydrophobicContact CG2-SD 4.45Å; P141-M344 HydrophobicContact CG-CE 4.49Å; P141-M344 HydrophobicContact CG-SD 4.44Å; A145-M344 HydrophobicContact CB-SD 3.74Å; I332-M344 HydrophobicContact CG2-CE 4.14Å; V334-M344 HydrophobicContact CG2-CE 3.68Å; V334-M344 HydrophobicContact CG2-SD 4.38Å; Y339-M344 HydrophobicContact CD2-CG 4.18Å; Y339-M344 HydrophobicContact CE2-CE 4.46Å; Y339-M344 HydrophobicContact CE2-CG 3.62Å; Y339-M344 HydrophobicContact CE2-SD 4.42Å; S340-M344 WeakPolarHBondContact O-CG 3.17Å; S340-M344 PolarHBondContact O-N 3.16Å; S340-M344 VanDerWaalsContact O-N 3.07Å; Q341-M344 PolarHBondContact O-N 2.75Å; E342-M344 PolarHBondContact O-N 2.85Å; M344-A347 PolarHBondContact O-N 3.45Å; M344-I348 HydrophobicContact CE-CD1 3.59Å; M344-I348 WeakPolarHBondContact O-CB 3.21Å; M344-I348 PolarHBondContact O-N 2.8Å; M344-I348 HydrophobicContact SD-CD1 4.32Å; M344-L369 HydrophobicContact CB-CD1 3.92Å; M344-L369 HydrophobicContact CE-CD2 4.28Å
345R98.1Very high96.1Very high74 Ų7444.7 Ų44.728%0.27921%0.205SC..Hα-helixtrans-64.7-47.8-179.6-171.1-176166.274.811.5111.6Q341 E342 A347 I348 I349 E350 E366 L369Q341-R345 WeakPolarHBondContact O-CB 3.27Å; Q341-R345 PolarHBondContact O-N 3.33Å; E342-R345 PolarHBondContact O-N 2.89Å; R345-A347 VanDerWaalsContact C-N 3.29Å; R345-A347 PolarHBondContact O-N 3.47Å; R345-I348 PolarHBondContact O-N 3.42Å; R345-I349 HydrophobicContact CG-CB 4.41Å; R345-I349 HydrophobicContact CG-CD1 4.44Å; R345-I349 WeakPolarHBondContact O-CA 3.48Å; R345-I349 WeakPolarHBondContact O-CB 3.3Å; R345-I349 PolarHBondContact O-N 2.99Å; R345-E350 WeakPolarHBondContact CD-OE1 3.27Å; R345-E350 HydrophobicContact CG-CG 3.97Å; R345-E350 WeakPolarHBondContact CG-OE1 3.21Å; R345-E350 IonicContact CZ-OE1 2.9Å; R345-E350 IonicContact NE-OE1 3.31Å; R345-E350 PolarHBondContact NE-OE1 3.13Å; R345-E350 PolarHBondContact O-N 2.96Å; R345-E366 IonicContact CZ-OE1 3.87Å; R345-E366 IonicContact NH1-OE1 3.86Å; R345-E366 PolarHBondContact NH1-OE1 2.79Å; R345-E366 IonicContact NH2-OE1 3.02Å; R345-E366 PolarHBondContact NH2-OE1 3.45Å; R345-L369 HydrophobicContact CB-CD1 4.08Å
346R97.6Very high95.9Very high56 Ų5647.2 Ų47.221%0.21122%0.222CC..Hα-helixtrans-54.8-45.7172.4179.5-172.265.3-127.63.9112D144 I147 E342 E350 R351D144-R346 PolarHBondContact O-NH2 3.18Å; D144-R346 VanDerWaalsContact O-NH2 3.12Å; D144-R346 IonicContact OD1-CZ 2.79Å; D144-R346 IonicContact OD1-NE 3.62Å; D144-R346 PolarHBondContact OD1-NE 2.92Å; D144-R346 IonicContact OD1-NH2 3.26Å; D144-R346 PolarHBondContact OD1-NH2 3.15Å; D144-R346 IonicContact OD2-CZ 3.87Å; D144-R346 IonicContact OD2-NE 2.74Å; D144-R346 PolarHBondContact OD2-NE 3.5Å; D144-R346 IonicContact OD2-NH2 3.52Å; I147-R346 PolarHBondContact O-NH2 3.47Å; E342-R346 VanDerWaalsContact O-CB 3.24Å; E342-R346 WeakPolarHBondContact O-CB 3.16Å; E342-R346 PolarHBondContact O-N 3.4Å; R346-E350 WeakPolarHBondContact CA-OE2 3.48Å; R346-R351 PolarHBondContact O-NE 2.87Å
347A97.7Very high95.8Very high0 Ų051 Ų510%024%0.239CC..Hα-helixtrans-76.3-27.4-171.800000114.3D144 A145 A343 M344 R345 R351D144-A347 HydrophobicContact CB-CB 3.91Å; A145-A347 HydrophobicContact CB-CB 3.64Å; A343-A347 WeakPolarHBondContact O-CB 3.37Å; A343-A347 PolarHBondContact O-N 2.91Å; M344-A347 PolarHBondContact O-N 3.45Å; R345-A347 VanDerWaalsContact C-N 3.29Å; R345-A347 PolarHBondContact O-N 3.47Å; A347-R351 WeakPolarHBondContact O-CD 3.42Å; A347-R351 PolarHBondContact O-NE 2.81Å
348I97.9Very high95.8Very high0 Ų052 Ų520%024%0.243CC..Hα-helixtrans-114.8-35.7-171.1-60.7173.6000112.6L306 N310 I332 M344 R345 V367 L369L306-I348 HydrophobicContact CB-CD1 4.3Å; L306-I348 HydrophobicContact CB-CG1 4.24Å; L306-I348 HydrophobicContact CB-CG2 4.49Å; L306-I348 HydrophobicContact CD1-CD1 4.26Å; N310-I348 HydrophobicContact CB-CG2 4.39Å; I332-I348 HydrophobicContact CD1-CD1 3.96Å; I332-I348 HydrophobicContact CD1-CG2 4.04Å; M344-I348 HydrophobicContact CE-CD1 3.59Å; M344-I348 WeakPolarHBondContact O-CB 3.21Å; M344-I348 PolarHBondContact O-N 2.8Å; M344-I348 HydrophobicContact SD-CD1 4.32Å; R345-I348 PolarHBondContact O-N 3.42Å; I348-V367 HydrophobicContact CG2-CG1 4.19Å; I348-L369 HydrophobicContact CD1-CD2 4.37Å
349I97.4Very high95.8Very high2 Ų251.7 Ų51.71%0.0124%0.242CC..THydrogen-bonded Turntrans-108.4-65.6-170.3-58.5176000110.8R345 R351 C352 Q353 E366 V367 L369R345-I349 HydrophobicContact CG-CB 4.41Å; R345-I349 HydrophobicContact CG-CD1 4.44Å; R345-I349 WeakPolarHBondContact O-CA 3.48Å; R345-I349 WeakPolarHBondContact O-CB 3.3Å; R345-I349 PolarHBondContact O-N 2.99Å; I349-R351 VanDerWaalsContact C-N 3.33Å; I349-R351 PolarHBondContact O-N 2.64Å; I349-C352 PolarHBondContact O-N 3.1Å; I349-Q353 PolarHBondContact O-N 3.41Å; I349-E366 WeakPolarHBondContact CG2-OE2 3.43Å; I349-V367 HydrophobicContact CD1-CG1 3.87Å; I349-V367 WeakPolarHBondContact CD1-O 3.41Å; I349-V367 HydrophobicContact CG1-CG1 3.91Å; I349-L369 HydrophobicContact CD1-CD1 3.79Å; I349-L369 HydrophobicContact CD1-CG 4.11Å; I349-L369 HydrophobicContact CG1-CD1 4.48Å
350E97.2Very high95.6Very high83 Ų8356.9 Ų56.939%0.38827%0.272SS..G310 helixtrans-61.5-39.1-164.4-70.5168.1170.900113.1R345 R346 C352 Q353R345-E350 WeakPolarHBondContact CD-OE1 3.27Å; R345-E350 HydrophobicContact CG-CG 3.97Å; R345-E350 WeakPolarHBondContact CG-OE1 3.21Å; R345-E350 IonicContact CZ-OE1 2.9Å; R345-E350 IonicContact NE-OE1 3.31Å; R345-E350 PolarHBondContact NE-OE1 3.13Å; R345-E350 PolarHBondContact O-N 2.96Å; R346-E350 WeakPolarHBondContact CA-OE2 3.48Å; E350-C352 PolarHBondContact O-N 3.46Å; E350-Q353 WeakPolarHBondContact O-CB 3.41Å; E350-Q353 PolarHBondContact O-N 2.8Å
351R94.9Very high95.4Very high40 Ų4057.3 Ų57.315%0.15128%0.279CS..G310 helixtrans-59.9-2017763171.760.6-172.3-3.9114.5D144 D304 A307 R346 A347 I349 A490D144-R351 IonicContact OD2-CZ 3.39Å; D144-R351 IonicContact OD2-NH2 2.7Å; D144-R351 PolarHBondContact OD2-NH2 2.74Å; D304-R351 IonicContact OD1-CZ 3.26Å; D304-R351 IonicContact OD1-NH1 3.58Å; D304-R351 PolarHBondContact OD1-NH1 3Å; A307-R351 HydrophobicContact CB-CG 4.39Å; R346-R351 PolarHBondContact O-NE 2.87Å; A347-R351 WeakPolarHBondContact O-CD 3.42Å; A347-R351 PolarHBondContact O-NE 2.81Å; I349-R351 VanDerWaalsContact C-N 3.33Å; I349-R351 PolarHBondContact O-N 2.64Å; R351-A490 VanDerWaalsContact O-CB 3.29Å; R351-A490 WeakPolarHBondContact O-CB 3.41Å
352C94.9Very high95.4Very high0 Ų054.1 Ų54.10%026%0.264CS..G310 helixtrans-111.84.1178.8-66.50000112.4V311 I349 E350 I355 T364V311-C352 HydrophobicContact CG2-CB 3.81Å; I349-C352 PolarHBondContact O-N 3.1Å; E350-C352 PolarHBondContact O-N 3.46Å; C352-I355 HydrophobicContact CB-CD1 3.72Å; C352-I355 VanDerWaalsContact O-CD1 3.25Å; C352-I355 WeakPolarHBondContact O-CD1 3.47Å; C352-I355 VanDerWaalsContact O-CG1 3.27Å; C352-I355 WeakPolarHBondContact O-CG1 3.37Å; C352-T364 HydrophobicContact CB-CG2 4.36Å; C352-T364 WeakPolarHBondContact O-CG2 3.43Å; C352-T364 PolarHBondContact O-OG1 3.02Å
353Q91.1Very high95.3Very high89 Ų8952.1 Ų52.142%0.41626%0.257SS..THydrogen-bonded Turntrans-73.8-30-170.2-169.5174.33.700113.1I349 E350 I355I349-Q353 PolarHBondContact O-N 3.41Å; E350-Q353 WeakPolarHBondContact O-CB 3.41Å; E350-Q353 PolarHBondContact O-N 2.8Å; Q353-I355 VanDerWaalsContact C-N 3.27Å; Q353-I355 PolarHBondContact O-N 2.72Å
354Q90.1Very high95.2Very high167 Ų16753.9 Ų53.978%0.7827%0.268SS*.THydrogen-bonded Turntrans-88.813.9-177.2-58-59-30.400113.6
355I94.1Very high95.1Very high22 Ų2255.9 Ų55.911%0.11328%0.277CS..  trans-73.4132.2-179.9-60.8167.9000109.5V311 C352 Q353 L358 V485 L486 Q489 A490V311-I355 HydrophobicContact CG1-CD1 4.49Å; V311-I355 HydrophobicContact CG2-CD1 4.15Å; C352-I355 HydrophobicContact CB-CD1 3.72Å; C352-I355 VanDerWaalsContact O-CD1 3.25Å; C352-I355 WeakPolarHBondContact O-CD1 3.47Å; C352-I355 VanDerWaalsContact O-CG1 3.27Å; C352-I355 WeakPolarHBondContact O-CG1 3.37Å; Q353-I355 VanDerWaalsContact C-N 3.27Å; Q353-I355 PolarHBondContact O-N 2.72Å; I355-L358 HydrophobicContact CG2-CD1 4.16Å; I355-L358 HydrophobicContact CG2-CD2 4.05Å; I355-L358 HydrophobicContact CG2-CG 3.88Å; I355-V485 HydrophobicContact CG2-CG1 3.81Å; I355-L486 HydrophobicContact CD1-CB 4.47Å; I355-L486 HydrophobicContact CD1-CD1 3.22Å; I355-L486 HydrophobicContact CD1-CG 4.41Å; I355-Q489 HydrophobicContact CG1-CB 4.49Å; I355-A490 HydrophobicContact CD1-CB 3.93Å; I355-A490 HydrophobicContact CG1-CB 4.02Å
356S93.5Very high94.9Very high53 Ų5357.6 Ų57.637%0.37129%0.288SS..  trans-123.1162.617854.40000111L358 V485 Q489S356-L358 VanDerWaalsContact C-N 3.35Å; S356-L358 PolarHBondContact O-N 2.6Å; S356-V485 VanDerWaalsContact O-CG1 3.27Å; S356-V485 WeakPolarHBondContact O-CG1 3.48Å; S356-Q489 PolarHBondContact O-NE2 2.79Å; S356-Q489 PolarHBondContact OG-OE1 2.86Å
357F94.4Very high94.9Very high179 Ų17955.2 Ų55.279%0.78528%0.28SS*.  trans60.737.4177.2-47.2-77.1000114.3
358L96.5Very high95Very high35 Ų3561.6 Ų61.618%0.18331%0.308CS..PPolyproline II helixtrans-68.5140.5168-74.5170.1000109.9V311 I355 S356 F362 A482 V485V311-L358 HydrophobicContact CG1-CD1 3.91Å; V311-L358 HydrophobicContact CG1-CD2 4.02Å; I355-L358 HydrophobicContact CG2-CD1 4.16Å; I355-L358 HydrophobicContact CG2-CD2 4.05Å; I355-L358 HydrophobicContact CG2-CG 3.88Å; S356-L358 VanDerWaalsContact C-N 3.35Å; S356-L358 PolarHBondContact O-N 2.6Å; L358-F362 HydrophobicContact CB-CB 4.19Å; L358-A482 HydrophobicContact CD2-CB 4.38Å; L358-V485 HydrophobicContact CD2-CB 4.29Å; L358-V485 HydrophobicContact CD2-CG1 3.89Å; L358-V485 HydrophobicContact CG-CG1 4.37Å
359P95.7Very high95Very high21 Ų2162.1 Ų62.114%0.13631%0.311CS..PPolyproline II helixtrans-60.2159.3173.6-2433.7000113.4G361 F362 N478 E481 A482P359-G361 PolarHBondContact O-N 2.78Å; P359-F362 HydrophobicContact CB-CD2 4.39Å; P359-F362 WeakPolarHBondContact O-CB 3.48Å; P359-F362 PolarHBondContact O-N 3.44Å; P359-N478 WeakPolarHBondContact CB-OD1 3.22Å; P359-E481 HydrophobicContact CG-CB 3.72Å; P359-A482 HydrophobicContact CG-CB 4.06Å
360D91.5Very high95Very high150 Ų15065 Ų6580%0.80233%0.325SS*.THydrogen-bonded Turntrans-53.3132-177.5-73-19.2000112.7F362 N478D360-F362 VanDerWaalsContact C-N 3.32Å; D360-N478 PolarHBondContact O-ND2 3.46Å
361G92.1Very high95.1Very high26 Ų2664.6 Ų64.627%0.26832%0.324SS..THydrogen-bonded Turntrans88-14-178.500000115P326 P359P326-G361 WeakPolarHBondContact CD-O 3.32Å; P359-G361 PolarHBondContact O-N 2.78Å
362F97.2Very high95.3Very high12 Ų1262.7 Ų62.75%0.05332%0.317CS..  trans-93.1136.8172.7-70-93000111.3L312 M320 P326 Y328 L358 P359 D360 N478 Y479 A482L312-F362 HydrophobicContact CD2-CD1 4.13Å; L312-F362 HydrophobicContact CD2-CE1 4.16Å; M320-F362 HydrophobicContact CG-CZ 4.25Å; M320-F362 HydrophobicContact SD-CZ 4.21Å; P326-F362 HydrophobicContact CB-CD1 4.4Å; P326-F362 HydrophobicContact CB-CE1 4.2Å; P326-F362 HydrophobicContact CG-CD1 3.46Å; P326-F362 VanDerWaalsContact CG-CD1 3.46Å; P326-F362 HydrophobicContact CG-CD2 4.32Å; P326-F362 HydrophobicContact CG-CE1 3.41Å; P326-F362 VanDerWaalsContact CG-CE1 3.41Å; P326-F362 HydrophobicContact CG-CE2 4.27Å; P326-F362 HydrophobicContact CG-CG 3.94Å; P326-F362 HydrophobicContact CG-CZ 3.84Å; Y328-F362 WeakPolarHBondContact OH-CA 3.46Å; L358-F362 HydrophobicContact CB-CB 4.19Å; P359-F362 HydrophobicContact CB-CD2 4.39Å; P359-F362 WeakPolarHBondContact O-CB 3.48Å; P359-F362 PolarHBondContact O-N 3.44Å; D360-F362 VanDerWaalsContact C-N 3.32Å; F362-N478 HydrophobicContact CE2-CB 4.46Å; F362-Y479 HydrophobicContact CE1-CD2 4.17Å; F362-Y479 HydrophobicContact CZ-CD2 4.13Å; F362-A482 HydrophobicContact CB-CB 4.27Å; F362-A482 HydrophobicContact CD1-CB 3.76Å; F362-A482 HydrophobicContact CD2-CB 3.82Å; F362-A482 HydrophobicContact CE1-CB 3.98Å; F362-A482 HydrophobicContact CE2-CB 4.04Å; F362-A482 HydrophobicContact CG-CB 3.68Å; F362-A482 HydrophobicContact CZ-CB 4.12Å
363L94.8Very high95.4Very high85 Ų8568.3 Ų68.345%0.44535%0.346SS..  trans-149155.8174.464.8119.3000111.9Y328 Q365Y328-L363 HydrophobicContact CE2-CD2 4.46Å; Y328-L363 HydrophobicContact CE2-CG 4.47Å; Y328-L363 PolarHBondContact OH-N 3.09Å; Y328-L363 PolarHBondContact OH-O 3.15Å; L363-Q365 HydrophobicContact CD1-CG 4.46Å; L363-Q365 PolarHBondContact O-N 2.85Å
364T94.3Very high95.7Very high38 Ų3866.9 Ų66.923%0.23334%0.341CS..  trans-76.3118169.2-58.70000109.2V311 C352V311-T364 HydrophobicContact CG2-CG2 4.28Å; C352-T364 HydrophobicContact CB-CG2 4.36Å; C352-T364 WeakPolarHBondContact O-CG2 3.43Å; C352-T364 PolarHBondContact O-OG1 3.02Å
365Q95Very high96.1Very high42 Ų4261.6 Ų61.620%0.19632%0.317CS..  trans-82.8138.6-177.8-61.6-68.3-30.400112.3N310 Y328 L363 V367N310-Q365 PolarHBondContact ND2-O 3.49Å; N310-Q365 WeakPolarHBondContact O-CG 3.5Å; N310-Q365 PolarHBondContact O-N 3.45Å; N310-Q365 WeakPolarHBondContact OD1-CB 3.34Å; Y328-Q365 HydrophobicContact CD1-CG 3.31Å; Y328-Q365 HydrophobicContact CD2-CG 4.27Å; Y328-Q365 HydrophobicContact CE1-CG 3.76Å; Y328-Q365 VanDerWaalsContact CE2-NE2 3.25Å; Y328-Q365 HydrophobicContact CG-CG 3.59Å; L363-Q365 HydrophobicContact CD1-CG 4.46Å; L363-Q365 PolarHBondContact O-N 2.85Å; Q365-V367 VanDerWaalsContact C-N 3.29Å; Q365-V367 PolarHBondContact O-N 2.84Å; Q365-V367 VanDerWaalsContact O-N 3.17Å
366E95.8Very high96.2Very high109 Ų10960.6 Ų60.651%0.50931%0.312SS..  trans-86.574.3164.2-165.168-170.500109R345 I349R345-E366 IonicContact CZ-OE1 3.87Å; R345-E366 IonicContact NH1-OE1 3.86Å; R345-E366 PolarHBondContact NH1-OE1 2.79Å; R345-E366 IonicContact NH2-OE1 3.02Å; R345-E366 PolarHBondContact NH2-OE1 3.45Å; I349-E366 WeakPolarHBondContact CG2-OE2 3.43Å
367V97.2Very high96.4Very high6 Ų662.8 Ų62.84%0.03632%0.316CS..PPolyproline II helixtrans-68.7135.2-177.364.20000111.1N310 L329 I332 I348 I349 Q365 L369N310-V367 WeakPolarHBondContact OD1-CB 3.46Å; N310-V367 WeakPolarHBondContact OD1-CG1 3.12Å; L329-V367 HydrophobicContact CB-CG2 4.48Å; I332-V367 HydrophobicContact CD1-CG1 4.14Å; I332-V367 HydrophobicContact CD1-CG2 4.17Å; I332-V367 HydrophobicContact CG1-CG2 3.93Å; I348-V367 HydrophobicContact CG2-CG1 4.19Å; I349-V367 HydrophobicContact CD1-CG1 3.87Å; I349-V367 WeakPolarHBondContact CD1-O 3.41Å; I349-V367 HydrophobicContact CG1-CG1 3.91Å; Q365-V367 VanDerWaalsContact C-N 3.29Å; Q365-V367 PolarHBondContact O-N 2.84Å; Q365-V367 VanDerWaalsContact O-N 3.17Å; V367-L369 HydrophobicContact CG1-CD2 4.02Å; V367-L369 PolarHBondContact O-N 2.81Å
368K98.3Very high96.5Very high135 Ų13555.4 Ų55.459%0.58728%0.284SS*.EExtended strand (participates in β ladder)trans-70.2123.5176.1-63.7-179.8-177.8-1790110.1S330 A331 I332S330-K368 PolarHBondContact O-N 3.39Å; S330-K368 VanDerWaalsContact O-N 3.17Å; A331-K368 CarbonylContact C-O 3.46Å; A331-K368 WeakPolarHBondContact CA-O 3.49Å; A331-K368 HydrophobicContact CB-CB 3.88Å; A331-K368 WeakPolarHBondContact CB-O 3.49Å; I332-K368 PolarHBondContact N-O 3.45Å
369L98.6Very high96.4Very high11 Ų1154.1 Ų54.16%0.05828%0.278CS..EExtended strand (participates in β ladder)trans-103.8120.5176.7-57.3175000108.9I332 Q341 M344 R345 I348 I349 V367I332-L369 HydrophobicContact CB-CD2 3.96Å; I332-L369 HydrophobicContact CD1-CD2 4.09Å; I332-L369 HydrophobicContact CG1-CD2 4.47Å; Q341-L369 PolarHBondContact NE2-O 3.44Å; M344-L369 HydrophobicContact CB-CD1 3.92Å; M344-L369 HydrophobicContact CE-CD2 4.28Å; R345-L369 HydrophobicContact CB-CD1 4.08Å; I348-L369 HydrophobicContact CD1-CD2 4.37Å; I349-L369 HydrophobicContact CD1-CD1 3.79Å; I349-L369 HydrophobicContact CD1-CG 4.11Å; I349-L369 HydrophobicContact CG1-CD1 4.48Å; V367-L369 HydrophobicContact CG1-CD2 4.02Å; V367-L369 PolarHBondContact O-N 2.81Å
370L98.4Very high96.4Very high62 Ų6259.5 Ų59.533%0.32530%0.295SS..EExtended strand (participates in β ladder)trans-134.2152.4-175.2-60.1172.4000110.6W2 A4 I332 V333 V334W2-L370 HydrophobicContact CH2-CD1 3.61Å; W2-L370 HydrophobicContact CZ3-CD1 3.58Å; A4-L370 HydrophobicContact CB-CB 4.16Å; I332-L370 PolarHBondContact O-N 3.15Å; V333-L370 CarbonylContact C-O 3.59Å; V333-L370 WeakPolarHBondContact CA-O 3.48Å; V333-L370 HydrophobicContact CG2-CB 4.31Å; V333-L370 HydrophobicContact CG2-CD1 4.45Å; V334-L370 PolarHBondContact N-O 3.22Å
371Q98.4Very high96.4Very high75 Ų7556.3 Ų56.335%0.3528%0.276SS..EExtended strand (participates in β ladder)trans-115.9140.3171-168.1-177.519.700110.5A4 V334 C337 Y339A4-Q371 VanDerWaalsContact CB-O 3.27Å; A4-Q371 WeakPolarHBondContact CB-O 3.35Å; V334-Q371 CarbonylContact O-C 3.42Å; V334-Q371 WeakPolarHBondContact O-CA 3.45Å; C337-Q371 PolarHBondContact O-NE2 3.47Å; Y339-Q371 VanDerWaalsContact CB-CD 3.4Å; Y339-Q371 HydrophobicContact CD1-CB 4.1Å; Y339-Q371 HydrophobicContact CD1-CG 4.41Å; Y339-Q371 HydrophobicContact CD2-CB 4.24Å; Y339-Q371 HydrophobicContact CD2-CG 4.21Å; Y339-Q371 HydrophobicContact CE1-CB 4.14Å; Y339-Q371 HydrophobicContact CE2-CB 4.26Å; Y339-Q371 HydrophobicContact CG-CB 4.17Å; Y339-Q371 HydrophobicContact CG-CG 4.07Å
372S98.4Very high96.4Very high0 Ų055.6 Ų55.60%027%0.267CS..  trans-98146.6169.5170.70000110.7D5 A8 V334 G335 K336 L374D5-S372 WeakPolarHBondContact OD1-CA 3.45Å; D5-S372 VanDerWaalsContact OD1-CB 3.27Å; D5-S372 WeakPolarHBondContact OD1-CB 3.24Å; D5-S372 PolarHBondContact OD1-OG 3.06Å; A8-S372 VanDerWaalsContact CB-OG 3.23Å; A8-S372 WeakPolarHBondContact CB-OG 3.27Å; V334-S372 PolarHBondContact O-N 3.4Å; G335-S372 CarbonylContact C-O 3.5Å; K336-S372 PolarHBondContact N-O 2.96Å; S372-L374 VanDerWaalsContact C-N 3.25Å; S372-L374 PolarHBondContact O-N 3.3Å; S372-L374 WeakPolarHBondContact OG-CB 3.27Å; S372-L374 PolarHBondContact OG-N 3.46Å
373N97.9Very high96.2Very high117 Ų11755.5 Ų55.563%0.62627%0.267SS*.SBendtrans-80.9-4.6173.3-63-56000113D5 K336D5-N373 PolarHBondContact OD1-N 3.37Å; K336-N373 WeakPolarHBondContact CD-O 3.49Å
374L98.2Very high95.9Very high60 Ų6056.9 Ų56.931%0.31427%0.272SS..PPolyproline II helixtrans-86.2126.5-176.9-56.5-175.6000111.5D5 A8 E9 Y12 K336 S372D5-L374 HydrophobicContact CB-CD1 4.2Å; D5-L374 HydrophobicContact CB-CG 4.22Å; D5-L374 WeakPolarHBondContact O-CD1 3.1Å; A8-L374 HydrophobicContact CB-CB 4.23Å; A8-L374 HydrophobicContact CB-CD1 4.23Å; E9-L374 HydrophobicContact CB-CD1 3.75Å; Y12-L374 HydrophobicContact CD2-CB 4.26Å; Y12-L374 HydrophobicContact CE2-CB 3.67Å; Y12-L374 PolarHBondContact OH-O 3.42Å; K336-L374 PolarHBondContact N-O 2.76Å; S372-L374 VanDerWaalsContact C-N 3.25Å; S372-L374 PolarHBondContact O-N 3.3Å; S372-L374 WeakPolarHBondContact OG-CB 3.27Å; S372-L374 PolarHBondContact OG-N 3.46Å
375Q96.9Very high95.6Very high56 Ų5659.6 Ų59.626%0.26228%0.281SS..PPolyproline II helixtrans-88.1138.1179.3-166.7177.26.700110.9K336 A382 E385K336-Q375 HydrophobicContact CB-CB 4.17Å; K336-Q375 HydrophobicContact CD-CB 4.12Å; Q375-A382 HydrophobicContact CG-CB 4.35Å; Q375-E385 PolarHBondContact NE2-OE2 3.23Å
376F97.8Very high95.2Very high1 Ų163.4 Ų63.40%0.00431%0.308CS..PPolyproline II helixtrans-79.3127.3175.8178.1-131.3000111Y12 Y15 T32 L34 H378 S379 A382Y12-F376 HydrophobicContact CD1-CB 4.42Å; Y12-F376 AromaticContact CD1-CD2 3.65Å; Y12-F376 HydrophobicContact CD1-CD2 3.65Å; Y12-F376 HydrophobicContact CD1-CE2 4.41Å; Y12-F376 HydrophobicContact CD1-CG 4.41Å; Y12-F376 HydrophobicContact CE1-CB 3.61Å; Y12-F376 AromaticContact CE1-CD2 3.64Å; Y12-F376 HydrophobicContact CE1-CD2 3.64Å; Y12-F376 AromaticContact CE1-CG 3.93Å; Y12-F376 HydrophobicContact CE1-CG 3.93Å; Y12-F376 PolarHBondContact OH-N 3.07Å; Y15-F376 AromaticContact CD1-CE2 3.72Å; Y15-F376 HydrophobicContact CD1-CE2 3.72Å; Y15-F376 HydrophobicContact CD1-CZ 4.2Å; Y15-F376 HydrophobicContact CD2-CE2 4.48Å; Y15-F376 HydrophobicContact CD2-CZ 4.42Å; Y15-F376 AromaticContact CE1-CE2 3.79Å; Y15-F376 HydrophobicContact CE1-CE2 3.79Å; Y15-F376 AromaticContact CE1-CZ 3.89Å; Y15-F376 HydrophobicContact CE1-CZ 3.89Å; Y15-F376 HydrophobicContact CE2-CZ 4.15Å; Y15-F376 HydrophobicContact CG-CE2 4.08Å; Y15-F376 HydrophobicContact CG-CZ 4.45Å; Y15-F376 AromaticContact CZ-CZ 3.83Å; T32-F376 HydrophobicContact CG2-CE1 3.93Å; T32-F376 HydrophobicContact CG2-CZ 4.29Å; L34-F376 HydrophobicContact CB-CD1 4.25Å; L34-F376 HydrophobicContact CB-CD2 4.48Å; L34-F376 HydrophobicContact CB-CE1 3.89Å; L34-F376 HydrophobicContact CB-CE2 4.15Å; L34-F376 HydrophobicContact CB-CZ 3.84Å; L34-F376 HydrophobicContact CD2-CD2 4.14Å; L34-F376 HydrophobicContact CD2-CE2 3.85Å; L34-F376 HydrophobicContact CD2-CZ 4.32Å; F376-H378 HydrophobicContact CD1-CB 4.4Å; F376-H378 HydrophobicContact CE1-CB 3.73Å; F376-H378 HydrophobicContact CZ-CB 3.81Å; F376-H378 PolarHBondContact O-N 2.98Å; F376-H378 VanDerWaalsContact O-N 3.15Å; F376-S379 WeakPolarHBondContact O-CB 3.45Å; F376-S379 PolarHBondContact O-N 3.06Å; F376-S379 PolarHBondContact O-OG 3.4Å; F376-A382 WeakPolarHBondContact O-CB 3.28Å
377E96.1Very high94.4Very high99 Ų9959.3 Ų59.346%0.46329%0.288SS..THydrogen-bonded Turntrans-55.4-32.9-175.753.9168.5-16400114.5Y15 A382Y15-E377 WeakPolarHBondContact CD1-OE1 3.45Å; Y15-E377 WeakPolarHBondContact CE1-OE1 3.15Å; E377-A382 WeakPolarHBondContact O-CB 3.31Å
378H96.6Very high93Very high24 Ų2464.2 Ų64.211%0.11132%0.319CS..THydrogen-bonded Turntrans-104.216.3179.5-64.4110.5000113.2Y15 P25 W31 T32 F376Y15-H378 AromaticContact CE1-CE1 3.83Å; Y15-H378 AromaticContact CE1-ND1 3.32Å; Y15-H378 VanDerWaalsContact CE1-ND1 3.32Å; Y15-H378 WeakPolarHBondContact CE1-ND1 3.34Å; Y15-H378 AromaticContact CZ-ND1 3.63Å; Y15-H378 PolarHBondContact OH-ND1 3.29Å; Y15-H378 VanDerWaalsContact OH-ND1 3.12Å; P25-H378 HydrophobicContact CG-CB 3.63Å; W31-H378 WeakPolarHBondContact CA-O 3.39Å; T32-H378 HydrophobicContact CG2-CB 4.21Å; T32-H378 PolarHBondContact N-O 2.67Å; T32-H378 VanDerWaalsContact O-O 3.09Å; F376-H378 HydrophobicContact CD1-CB 4.4Å; F376-H378 HydrophobicContact CE1-CB 3.73Å; F376-H378 HydrophobicContact CZ-CB 3.81Å; F376-H378 PolarHBondContact O-N 2.98Å; F376-H378 VanDerWaalsContact O-N 3.15Å
379S96.1Very high91.5Very high8 Ų865.6 Ų65.66%0.05633%0.332CS..SBendtrans-66.5154.7170.367.90000110.6F376 Q381 A382 I383F376-S379 WeakPolarHBondContact O-CB 3.45Å; F376-S379 PolarHBondContact O-N 3.06Å; F376-S379 PolarHBondContact O-OG 3.4Å; S379-Q381 PolarHBondContact O-N 2.71Å; S379-A382 PolarHBondContact O-N 3.2Å; S379-A382 VanDerWaalsContact OG-CB 3.31Å; S379-A382 WeakPolarHBondContact OG-CB 3.48Å; S379-A382 PolarHBondContact OG-N 3.09Å; S379-I383 WeakPolarHBondContact O-CG1 3.41Å; S379-I383 PolarHBondContact O-N 3.48Å; S379-I383 VanDerWaalsContact O-N 3.13Å
380R93.9Very high90.1Very high133 Ų13367.9 Ų67.950%0.50235%0.349SS..Hα-helixtrans-55.4-41.2178-175.9176.9177.6145.9-0.2112.4W31 Q384 L394W31-R380 HydrophobicContact CB-CB 4.23Å; W31-R380 HydrophobicContact CD2-CB 3.79Å; W31-R380 HydrophobicContact CD2-CG 4.25Å; W31-R380 HydrophobicContact CE3-CB 4.07Å; W31-R380 HydrophobicContact CG-CB 3.84Å; W31-R380 HydrophobicContact CG-CG 4.16Å; R380-Q384 WeakPolarHBondContact O-CB 3.47Å; R380-Q384 PolarHBondContact O-N 2.74Å; R380-Q384 VanDerWaalsContact O-N 3.08Å; R380-L394 HydrophobicContact CG-CD1 4.41Å
381Q92Very high88.7Confident83 Ų8375.4 Ų75.439%0.38838%0.379SS..Hα-helixtrans-67-47.8-179.1-177178.8-11.400111.6S379 I383 Q384 E385S379-Q381 PolarHBondContact O-N 2.71Å; Q381-I383 VanDerWaalsContact C-N 3.32Å; Q381-I383 PolarHBondContact O-N 2.62Å; Q381-Q384 WeakPolarHBondContact O-CB 3.48Å; Q381-Q384 PolarHBondContact O-N 3.13Å; Q381-Q384 VanDerWaalsContact O-N 3.09Å; Q381-E385 HydrophobicContact CG-CG 4.48Å; Q381-E385 VanDerWaalsContact CG-OE1 3.27Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.48Å; Q381-E385 PolarHBondContact NE2-OE1 2.9Å; Q381-E385 WeakPolarHBondContact O-CG 3.12Å; Q381-E385 PolarHBondContact O-N 3.07Å
382A92.9Very high87.9Confident12 Ų1274.9 Ų74.910%0.09938%0.382CS..Hα-helixtrans-59.7-43.2179.800000111.8Q375 F376 E377 S379 Q384 E385 V386Q375-A382 HydrophobicContact CG-CB 4.35Å; F376-A382 WeakPolarHBondContact O-CB 3.28Å; E377-A382 WeakPolarHBondContact O-CB 3.31Å; S379-A382 PolarHBondContact O-N 3.2Å; S379-A382 VanDerWaalsContact OG-CB 3.31Å; S379-A382 WeakPolarHBondContact OG-CB 3.48Å; S379-A382 PolarHBondContact OG-N 3.09Å; A382-Q384 VanDerWaalsContact C-N 3.32Å; A382-Q384 PolarHBondContact O-N 3.46Å; A382-E385 PolarHBondContact O-N 3.32Å; A382-V386 WeakPolarHBondContact O-CG2 3.46Å; A382-V386 PolarHBondContact O-N 3.49Å
383I92.3Very high87.4Confident9 Ų983.2 Ų83.25%0.04642%0.418CS..Hα-helixtrans-66.3-36.3177.3-59.3-59.5000111.4S379 Q381 V386 Q387 L394S379-I383 WeakPolarHBondContact O-CG1 3.41Å; S379-I383 PolarHBondContact O-N 3.48Å; S379-I383 VanDerWaalsContact O-N 3.13Å; Q381-I383 VanDerWaalsContact C-N 3.32Å; Q381-I383 PolarHBondContact O-N 2.62Å; I383-V386 PolarHBondContact O-N 3.24Å; I383-Q387 HydrophobicContact CG2-CG 4.48Å; I383-Q387 WeakPolarHBondContact O-CB 3.38Å; I383-Q387 VanDerWaalsContact O-CG 3.28Å; I383-Q387 WeakPolarHBondContact O-CG 3.3Å; I383-Q387 PolarHBondContact O-N 3.02Å; I383-Q387 VanDerWaalsContact O-N 3.15Å; I383-L394 HydrophobicContact CG2-CD1 4.4Å; I383-L394 HydrophobicContact CG2-CD2 3.57Å
384Q90Very high87.1Confident115 Ų11578.9 Ų78.954%0.53740%0.395SS..Hα-helixtrans-68-37.3177.1-173169.1-2.100112.6R380 Q381 A382 V386 Q387 T388 L394R380-Q384 WeakPolarHBondContact O-CB 3.47Å; R380-Q384 PolarHBondContact O-N 2.74Å; R380-Q384 VanDerWaalsContact O-N 3.08Å; Q381-Q384 WeakPolarHBondContact O-CB 3.48Å; Q381-Q384 PolarHBondContact O-N 3.13Å; Q381-Q384 VanDerWaalsContact O-N 3.09Å; A382-Q384 VanDerWaalsContact C-N 3.32Å; A382-Q384 PolarHBondContact O-N 3.46Å; Q384-V386 VanDerWaalsContact C-N 3.35Å; Q384-Q387 PolarHBondContact O-N 2.81Å; Q384-T388 PolarHBondContact O-N 3.09Å; Q384-L394 HydrophobicContact CB-CD1 3.92Å
385E87.9Confident86.9Confident94 Ų9477.7 Ų77.744%0.43939%0.389SS..Hα-helixtrans-65.5-36.9176.5-72.5162.7176.200111.8Q375 Q381 A382 Q387 T388Q375-E385 PolarHBondContact NE2-OE2 3.23Å; Q381-E385 HydrophobicContact CG-CG 4.48Å; Q381-E385 VanDerWaalsContact CG-OE1 3.27Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.48Å; Q381-E385 PolarHBondContact NE2-OE1 2.9Å; Q381-E385 WeakPolarHBondContact O-CG 3.12Å; Q381-E385 PolarHBondContact O-N 3.07Å; A382-E385 PolarHBondContact O-N 3.32Å; E385-Q387 VanDerWaalsContact C-N 3.33Å; E385-T388 VanDerWaalsContact O-CG2 3.32Å; E385-T388 WeakPolarHBondContact O-CG2 3.46Å
386V85.4Confident86.8Confident123 Ų12376.5 Ų76.575%0.74539%0.386SS*.Hα-helixtrans-72.1-28.2174.9176.60000112.1A382 I383 Q384A382-V386 WeakPolarHBondContact O-CG2 3.46Å; A382-V386 PolarHBondContact O-N 3.49Å; I383-V386 PolarHBondContact O-N 3.24Å; Q384-V386 VanDerWaalsContact C-N 3.35Å
387Q79.5Confident86.7Confident22 Ų2276.6 Ų76.610%0.10339%0.387CS..THydrogen-bonded Turntrans-97.720.9-174.7-69.7-175.32500114.7P27 N28 I383 Q384 E385 N389 S390 L394P27-Q387 PolarHBondContact O-NE2 2.68Å; N28-Q387 PolarHBondContact O-NE2 3.08Å; I383-Q387 HydrophobicContact CG2-CG 4.48Å; I383-Q387 WeakPolarHBondContact O-CB 3.38Å; I383-Q387 VanDerWaalsContact O-CG 3.28Å; I383-Q387 WeakPolarHBondContact O-CG 3.3Å; I383-Q387 PolarHBondContact O-N 3.02Å; I383-Q387 VanDerWaalsContact O-N 3.15Å; Q384-Q387 PolarHBondContact O-N 2.81Å; E385-Q387 VanDerWaalsContact C-N 3.33Å; Q387-N389 PolarHBondContact O-N 2.73Å; Q387-S390 PolarHBondContact O-N 3.48Å; Q387-L394 VanDerWaalsContact OE1-CD2 3.29Å
388T68.5Low86.6Confident110 Ų11072.9 Ų72.968%0.67538%0.376SS*.THydrogen-bonded Turntrans-50.4-22.4-176.441.50000115.3Q384 E385Q384-T388 PolarHBondContact O-N 3.09Å; E385-T388 VanDerWaalsContact O-CG2 3.32Å; E385-T388 WeakPolarHBondContact O-CG2 3.46Å
389N65.7Low86.6Confident163 Ų16372.1 Ų72.187%0.87237%0.374SS*.THydrogen-bonded Turntrans-107.3-0.2178-64.1-34.1000115.3Q387Q387-N389 PolarHBondContact O-N 2.73Å
390S68.3Low86.6Confident60 Ų6071.9 Ų71.942%0.4237%0.372SS..  trans-107.3126.9-175.9-176.80000111Q387 T392Q387-S390 PolarHBondContact O-N 3.48Å; S390-T392 PolarHBondContact O-N 3.39Å; S390-T392 PolarHBondContact OG-OG1 3.22Å; S390-T392 VanDerWaalsContact OG-OG1 3.13Å
391K70.3Confident86.9Confident219 Ų21965.7 Ų65.795%0.95235%0.349SS*.  trans-79.210.5175.6-68.7-176.3-179.6177.10113.3K393K391-K393 PolarHBondContact O-N 3.39Å
392T81.3Confident87.1Confident65 Ų6561.8 Ų61.840%0.39933%0.331SS..  trans-68.9124-175.6-59.80000110.8R29 S390 L394R29-T392 HydrophobicContact CB-CG2 4.36Å; R29-T392 HydrophobicContact CG-CG2 4.08Å; S390-T392 PolarHBondContact O-N 3.39Å; S390-T392 PolarHBondContact OG-OG1 3.22Å; S390-T392 VanDerWaalsContact OG-OG1 3.13Å; T392-L394 PolarHBondContact O-N 3.28Å; T392-L394 VanDerWaalsContact O-N 3.14Å
393K87.9Confident87.4Confident174 Ų17462.8 Ų62.876%0.75733%0.332SS*.  trans-66115.3177.6-177.3176.7-178.5173.80110.4K391K391-K393 PolarHBondContact O-N 3.39Å
394L92.1Very high87.7Confident27 Ų2762.3 Ų62.314%0.14133%0.33CS..  trans-63.9133.3172.8-64.6-177.2000111.6R29 R380 I383 Q384 Q387 T392R29-L394 WeakPolarHBondContact O-CA 3.24Å; R380-L394 HydrophobicContact CG-CD1 4.41Å; I383-L394 HydrophobicContact CG2-CD1 4.4Å; I383-L394 HydrophobicContact CG2-CD2 3.57Å; Q384-L394 HydrophobicContact CB-CD1 3.92Å; Q387-L394 VanDerWaalsContact OE1-CD2 3.29Å; T392-L394 PolarHBondContact O-N 3.28Å; T392-L394 VanDerWaalsContact O-N 3.14Å
395V94.1Very high88.1Confident34 Ų3457.9 Ų57.921%0.20631%0.312CS..EExtended strand (participates in β ladder)trans-126.9146.7176.5-57.30000110.9R29 E30 W31R29-V395 HydrophobicContact CG-CG2 4.16Å; R29-V395 PolarHBondContact O-N 3.15Å; E30-V395 CarbonylContact C-O 3.46Å; E30-V395 WeakPolarHBondContact CA-O 3.32Å; E30-V395 HydrophobicContact CG-CG2 3.97Å; W31-V395 VanDerWaalsContact CD1-O 3.23Å; W31-V395 PolarHBondContact N-O 3.26Å; W31-V395 VanDerWaalsContact N-O 3.07Å
396P94.6Very high88.5Confident31 Ų3154.1 Ų54.120%0.20130%0.296CS..EExtended strand (participates in β ladder)trans-66.4137.4171.425.4-35.2000111.2W31 T68 K69 G398W31-P396 HydrophobicContact CD2-CB 4.43Å; W31-P396 HydrophobicContact CH2-CB 4.17Å; W31-P396 HydrophobicContact CZ2-CB 3.73Å; W31-P396 HydrophobicContact CZ2-CG 4.26Å; W31-P396 CarbonylContact O-C 3.51Å; W31-P396 WeakPolarHBondContact O-CA 3.43Å; T68-P396 WeakPolarHBondContact OG1-CB 3.23Å; K69-P396 VanDerWaalsContact CE-CG 3.46Å; P396-G398 PolarHBondContact O-N 3.34Å
397C95.1Very high88.9Confident3 Ų353.1 Ų53.12%0.0229%0.292CS..  trans-53.8136.1176.5-168.50000111.3P25 E30 W31 A399P25-C397 HydrophobicContact CB-CB 4.06Å; E30-C397 HydrophobicContact CB-CB 4.35Å; E30-C397 PolarHBondContact OE2-SG 2.92Å; W31-C397 PolarHBondContact O-N 3.38Å; C397-A399 VanDerWaalsContact C-N 3.32Å
398G94.1Very high89.5Confident21 Ų2159.5 Ų59.522%0.21632%0.322CS..SBendtrans-76.4-20177.400000114.1P396P396-G398 PolarHBondContact O-N 3.34Å
399A96.2Very high90.7Very high9 Ų962.5 Ų62.57%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-95.8156.3-178.100000112.2C397 V413 T414C397-A399 VanDerWaalsContact C-N 3.32Å; A399-V413 HydrophobicContact CB-CG1 4.14Å; A399-T414 CarbonylContact C-O 3.4Å; A399-T414 VanDerWaalsContact CA-O 3.22Å; A399-T414 WeakPolarHBondContact CA-O 3.22Å
400A97.6Very high92.1Very high3 Ų356.9 Ų56.93%0.02529%0.293CS..EExtended strand (participates in β ladder)trans-134.6122.9173.600000109.1T66 V91 T414T66-A400 WeakPolarHBondContact O-CA 3.44Å; T66-A400 WeakPolarHBondContact O-CB 3.38Å; V91-A400 HydrophobicContact CG2-CB 4.49Å; A400-T414 PolarHBondContact N-O 2.94Å; A400-T414 PolarHBondContact O-N 2.84Å; A400-T414 PolarHBondContact O-OG1 2.98Å
401I98.3Very high93.4Very high2 Ų256.1 Ų56.11%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-91136177-53.9171.9000108.1L19 K24 G65 T66 V91 L411 V413L19-I401 HydrophobicContact CD1-CD1 4.42Å; L19-I401 HydrophobicContact CD1-CG2 4.08Å; K24-I401 HydrophobicContact CG-CD1 3.96Å; G65-I401 CarbonylContact C-O 3.49Å; G65-I401 VanDerWaalsContact CA-O 3.23Å; G65-I401 WeakPolarHBondContact CA-O 3.44Å; T66-I401 PolarHBondContact N-O 2.97Å; T66-I401 WeakPolarHBondContact OG1-CB 3.34Å; T66-I401 PolarHBondContact OG1-N 3.37Å; V91-I401 VanDerWaalsContact CG1-O 3.32Å; V91-I401 WeakPolarHBondContact CG1-O 3.45Å; I401-L411 HydrophobicContact CG2-CD1 3.96Å; I401-L411 HydrophobicContact CG2-CG 4.1Å; I401-V413 HydrophobicContact CG1-CG2 4.28Å
402S98.2Very high94.6Very high1 Ų145.8 Ų45.81%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-120131.8169.362.30000108.8V91 L411 D412V91-S402 VanDerWaalsContact CG1-CB 3.46Å; S402-L411 CarbonylContact O-C 3.51Å; S402-L411 WeakPolarHBondContact O-CA 3.46Å; S402-D412 PolarHBondContact N-O 2.84Å; S402-D412 PolarHBondContact O-N 2.85Å; S402-D412 WeakPolarHBondContact OG-CB 3.4Å; S402-D412 PolarHBondContact OG-O 2.67Å
403W98.6Very high95.3Very high33 Ų3343.1 Ų43.113%0.12522%0.223CC..EExtended strand (participates in β ladder)trans-134.8136.6175.9178.996.6000110.4H14 L19 V61 A63 M64 S95 A405 P410H14-W403 AromaticContact CE1-CE2 3.81Å; H14-W403 AromaticContact CE1-CH2 3.34Å; H14-W403 WeakPolarHBondContact CE1-CH2 3.41Å; H14-W403 AromaticContact CE1-CZ2 3.43Å; H14-W403 VanDerWaalsContact CE1-CZ2 3.43Å; H14-W403 WeakPolarHBondContact CE1-CZ2 3.46Å; H14-W403 AromaticContact CE1-CZ3 3.67Å; H14-W403 AromaticContact NE2-CD2 3.51Å; H14-W403 AromaticContact NE2-CE2 3.5Å; H14-W403 AromaticContact NE2-CE3 3.6Å; H14-W403 AromaticContact NE2-CH2 3.72Å; H14-W403 AromaticContact NE2-CZ2 3.64Å; H14-W403 AromaticContact NE2-CZ3 3.7Å; L19-W403 HydrophobicContact CD2-CB 3.77Å; L19-W403 HydrophobicContact CD2-CG 3.79Å; V61-W403 HydrophobicContact CG1-CZ3 4.07Å; V61-W403 VanDerWaalsContact O-CH2 3.25Å; V61-W403 WeakPolarHBondContact O-CH2 2.96Å; V61-W403 WeakPolarHBondContact O-CZ3 3.28Å; A63-W403 CarbonylContact C-O 3.53Å; A63-W403 WeakPolarHBondContact CA-O 3.41Å; M64-W403 HydrophobicContact CB-CB 4.28Å; M64-W403 HydrophobicContact CB-CE3 4.25Å; M64-W403 PolarHBondContact N-O 3.22Å; M64-W403 PolarHBondContact O-N 2.88Å; S95-W403 WeakPolarHBondContact CB-O 3.29Å; S95-W403 PolarHBondContact OG-O 2.91Å; W403-A405 HydrophobicContact CH2-CB 3.6Å; W403-A405 HydrophobicContact CZ2-CB 4.34Å; W403-A405 HydrophobicContact CZ3-CB 4.05Å; W403-P410 CarbonylContact C-O 3.54Å; W403-P410 VanDerWaalsContact CA-O 3.27Å; W403-P410 WeakPolarHBondContact CA-O 3.49Å
404S98.4Very high95.8Very high0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-131.9141.4176.4-42.60000109.2S95 V406 P410S95-S404 VanDerWaalsContact CA-OG 3.3Å; S95-S404 WeakPolarHBondContact CA-OG 3.48Å; S95-S404 WeakPolarHBondContact CB-OG 3.4Å; S95-S404 PolarHBondContact O-OG 3.17Å; S95-S404 VanDerWaalsContact O-OG 3.1Å; S404-V406 PolarHBondContact O-N 2.96Å; S404-P410 PolarHBondContact N-O 2.95Å; S404-P410 WeakPolarHBondContact O-CA 3.17Å; S404-P410 WeakPolarHBondContact O-CB 3.23Å
405A97.9Very high95.9Very high21 Ų2135.6 Ų35.617%0.17420%0.195CC..SBendtrans-72.369.817500000111.4V62 Y99 W403V62-A405 HydrophobicContact CB-CB 4.33Å; V62-A405 WeakPolarHBondContact O-CB 3.31Å; V62-A405 PolarHBondContact O-N 3.11Å; Y99-A405 HydrophobicContact CD2-CB 3.9Å; Y99-A405 WeakPolarHBondContact CD2-O 3.03Å; Y99-A405 HydrophobicContact CE2-CB 4.08Å; W403-A405 HydrophobicContact CH2-CB 3.6Å; W403-A405 HydrophobicContact CZ2-CB 4.34Å; W403-A405 HydrophobicContact CZ3-CB 4.05Å
406V96.8Very high95.9Very high16 Ų1637.6 Ų37.610%0.09720%0.204CC..  trans-130.2147.3178.4-58.60000109.1H102 S404 E408 P410H102-V406 HydrophobicContact CB-CB 4.44Å; H102-V406 HydrophobicContact CB-CG1 3.61Å; S404-V406 PolarHBondContact O-N 2.96Å; V406-E408 PolarHBondContact O-N 2.7Å; V406-P410 WeakPolarHBondContact O-CB 3.25Å
407P93.6Very high95.9Very high101 Ų10136.1 Ų36.166%0.65619%0.194SC*.SBendtrans-65.6-41-173.423.4-33.4000112.3H102H102-P407 VanDerWaalsContact CE1-CD 3.49Å; H102-P407 WeakPolarHBondContact CE1-CD 3.47Å; H102-P407 WeakPolarHBondContact NE2-CD 3.11Å
408E92.3Very high96Very high157 Ų15737.2 Ų37.273%0.73420%0.199SC*.SBendtrans-93119.7-175.6-66.8-176.3-170.500112.1R98 V406R98-E408 PolarHBondContact NH2-O 2.92Å; V406-E408 PolarHBondContact O-N 2.7Å
409R92.9Very high96.1Very high172 Ų17240.5 Ų40.565%0.64921%0.205SC*.  trans47.661.6174.3-57.4-178.5-175.1-177.53.8111.3R98 L411R98-R409 VanDerWaalsContact CZ-O 3.29Å; R98-R409 PolarHBondContact NH1-O 3.08Å; R98-R409 PolarHBondContact NH2-O 3.3Å; R409-L411 PolarHBondContact O-N 3.27Å; R409-L411 VanDerWaalsContact O-N 3.16Å
410P95.9Very high96Very high45 Ų4543.9 Ų43.929%0.29222%0.219SC..  trans-61-27.4-174.923.5-34.2000112.4R98 W403 S404 V406R98-P410 PolarHBondContact NH1-O 3.31Å; W403-P410 CarbonylContact C-O 3.54Å; W403-P410 VanDerWaalsContact CA-O 3.27Å; W403-P410 WeakPolarHBondContact CA-O 3.49Å; S404-P410 PolarHBondContact N-O 2.95Å; S404-P410 WeakPolarHBondContact O-CA 3.17Å; S404-P410 WeakPolarHBondContact O-CB 3.23Å; V406-P410 WeakPolarHBondContact O-CB 3.25Å
411L96.2Very high95.7Very high44 Ų4447.1 Ų47.123%0.2325%0.253CS..EExtended strand (participates in β ladder)trans-111.3142.7-174-169.6138.3000113.1L19 P20 I401 S402 R409 V413L19-L411 HydrophobicContact CB-CD1 4.45Å; L19-L411 HydrophobicContact CD2-CD1 3.65Å; P20-L411 HydrophobicContact CG-CD1 3.9Å; P20-L411 HydrophobicContact CG-CD2 4.09Å; I401-L411 HydrophobicContact CG2-CD1 3.96Å; I401-L411 HydrophobicContact CG2-CG 4.1Å; S402-L411 CarbonylContact O-C 3.51Å; S402-L411 WeakPolarHBondContact O-CA 3.46Å; R409-L411 PolarHBondContact O-N 3.27Å; R409-L411 VanDerWaalsContact O-N 3.16Å; L411-V413 HydrophobicContact CD2-CG2 3.75Å
412D93.6Very high95.5Very high3 Ų349 Ų492%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-145.5139.5169.9-179.638.8000111S402 R419 S434 K435S402-D412 PolarHBondContact N-O 2.84Å; S402-D412 PolarHBondContact O-N 2.85Å; S402-D412 WeakPolarHBondContact OG-CB 3.4Å; S402-D412 PolarHBondContact OG-O 2.67Å; D412-R419 VanDerWaalsContact OD1-CD 3.31Å; D412-R419 WeakPolarHBondContact OD1-CD 3.48Å; D412-R419 VanDerWaalsContact OD1-CG 3.28Å; D412-R419 WeakPolarHBondContact OD1-CG 3.33Å; D412-R419 IonicContact OD1-CZ 3.81Å; D412-R419 IonicContact OD1-NE 2.72Å; D412-R419 PolarHBondContact OD1-NE 2.86Å; D412-S434 WeakPolarHBondContact OD2-CA 3.38Å; D412-S434 WeakPolarHBondContact OD2-CB 3.19Å; D412-S434 PolarHBondContact OD2-OG 2.76Å; D412-K435 PolarHBondContact OD2-N 2.7Å; D412-K435 VanDerWaalsContact OD2-N 3.12Å
413V97.4Very high95.3Very high9 Ų953.3 Ų53.36%0.05529%0.291CS..EExtended strand (participates in β ladder)trans-115.4128-179.8-174.70000108.7Q22 A399 I401 L411 R419 Q420Q22-V413 HydrophobicContact CG-CG2 4.44Å; A399-V413 HydrophobicContact CB-CG1 4.14Å; I401-V413 HydrophobicContact CG1-CG2 4.28Å; L411-V413 HydrophobicContact CD2-CG2 3.75Å; V413-R419 CarbonylContact O-C 3.6Å; V413-R419 WeakPolarHBondContact O-CA 3.4Å; V413-Q420 HydrophobicContact CB-CB 4.34Å; V413-Q420 HydrophobicContact CG1-CB 4.06Å; V413-Q420 PolarHBondContact O-N 3.18Å
414T97.4Very high95Very high2 Ų261.1 Ų61.11%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-118.1151.3-177.762.90000112.5A399 A400 F418A399-T414 CarbonylContact C-O 3.4Å; A399-T414 VanDerWaalsContact CA-O 3.22Å; A399-T414 WeakPolarHBondContact CA-O 3.22Å; A400-T414 PolarHBondContact N-O 2.94Å; A400-T414 PolarHBondContact O-N 2.84Å; A400-T414 PolarHBondContact O-OG1 2.98Å; T414-F418 CarbonylContact C-O 3.58Å; T414-F418 WeakPolarHBondContact CA-O 3.37Å; T414-F418 VanDerWaalsContact CB-O 3.27Å; T414-F418 WeakPolarHBondContact CB-O 3.43Å
415S95.2Very high94.7Very high41 Ų4171 Ų7129%0.28737%0.369SS..EExtended strand (participates in β ladder)trans-140.6129.6170.21790000108.7G417 F418S415-G417 PolarHBondContact O-N 3.12Å; S415-G417 VanDerWaalsContact O-N 3.16Å; S415-F418 PolarHBondContact N-O 3.35Å; S415-F418 PolarHBondContact O-N 2.74Å
416N93.4Very high94.4Very high75 Ų7571.1 Ų71.140%0.40137%0.371SS..THydrogen-bonded Turntrans50.834.5-173.2-56.1-62.7000113.8R293 F418R293-N416 PolarHBondContact NH1-OD1 3.16Å; N416-F418 WeakPolarHBondContact O-CD2 3.11Å; N416-F418 PolarHBondContact O-N 3.08Å
417G94.2Very high94.2Very high0 Ų073 Ų730%038%0.38CS..THydrogen-bonded Turntrans85.3-4.6176.100000116.2L83 S415L83-G417 PolarHBondContact N-O 2.61Å; L83-G417 VanDerWaalsContact O-CA 3.28Å; L83-G417 WeakPolarHBondContact O-CA 3.43Å; S415-G417 PolarHBondContact O-N 3.12Å; S415-G417 VanDerWaalsContact O-N 3.16Å
418F96.8Very high94.1Very high26 Ų2669.5 Ų69.511%0.11436%0.362CS..EExtended strand (participates in β ladder)trans-113.2164.8175.1-58.6-76000111V82 T414 S415 N416 Q420 T422 I427V82-F418 HydrophobicContact CB-CE1 3.84Å; V82-F418 HydrophobicContact CB-CZ 3.84Å; V82-F418 HydrophobicContact CG2-CD1 4.49Å; V82-F418 HydrophobicContact CG2-CD2 4.39Å; V82-F418 HydrophobicContact CG2-CE1 3.99Å; V82-F418 HydrophobicContact CG2-CE2 3.88Å; V82-F418 HydrophobicContact CG2-CZ 3.67Å; T414-F418 CarbonylContact C-O 3.58Å; T414-F418 WeakPolarHBondContact CA-O 3.37Å; T414-F418 VanDerWaalsContact CB-O 3.27Å; T414-F418 WeakPolarHBondContact CB-O 3.43Å; S415-F418 PolarHBondContact N-O 3.35Å; S415-F418 PolarHBondContact O-N 2.74Å; N416-F418 WeakPolarHBondContact O-CD2 3.11Å; N416-F418 PolarHBondContact O-N 3.08Å; F418-Q420 PolarHBondContact O-N 2.86Å; F418-T422 HydrophobicContact CB-CG2 4.14Å; F418-T422 HydrophobicContact CG-CG2 4.47Å; F418-I427 HydrophobicContact CD2-CD1 4.41Å; F418-I427 HydrophobicContact CE1-CG1 4.45Å; F418-I427 HydrophobicContact CE1-CG2 3.8Å; F418-I427 HydrophobicContact CE2-CD1 3.98Å; F418-I427 HydrophobicContact CE2-CG1 4.34Å; F418-I427 HydrophobicContact CZ-CD1 4.2Å; F418-I427 HydrophobicContact CZ-CG1 4.3Å; F418-I427 HydrophobicContact CZ-CG2 3.79Å
419R96.1Very high94.2Very high90 Ų9064.2 Ų64.234%0.3434%0.343SS..EExtended strand (participates in β ladder)trans-57.7136.3173.5-68-170.162.5-140.75.9110.7D412 V413 G421 T422 Q431 S432 R433D412-R419 VanDerWaalsContact OD1-CD 3.31Å; D412-R419 WeakPolarHBondContact OD1-CD 3.48Å; D412-R419 VanDerWaalsContact OD1-CG 3.28Å; D412-R419 WeakPolarHBondContact OD1-CG 3.33Å; D412-R419 IonicContact OD1-CZ 3.81Å; D412-R419 IonicContact OD1-NE 2.72Å; D412-R419 PolarHBondContact OD1-NE 2.86Å; V413-R419 CarbonylContact O-C 3.6Å; V413-R419 WeakPolarHBondContact O-CA 3.4Å; R419-G421 PolarHBondContact O-N 2.77Å; R419-T422 VanDerWaalsContact O-CB 3.23Å; R419-T422 WeakPolarHBondContact O-CB 3.49Å; R419-T422 PolarHBondContact O-N 3.2Å; R419-T422 PolarHBondContact O-OG1 3.42Å; R419-Q431 WeakPolarHBondContact CD-O 3.4Å; R419-Q431 PolarHBondContact NH1-O 3Å; R419-Q431 VanDerWaalsContact NH1-O 3.08Å; R419-S432 PolarHBondContact N-O 2.9Å; R419-R433 WeakPolarHBondContact CD-O 3.45Å; R419-R433 WeakPolarHBondContact CG-O 3.44Å
420Q94.5Very high94.1Very high80 Ų8061.9 Ų61.937%0.37434%0.339SS..THydrogen-bonded Turntrans-56134.9-178.7-170.4-17738.700110.1Q22 V413 F418Q22-Q420 VanDerWaalsContact CG-OE1 3.3Å; V413-Q420 HydrophobicContact CB-CB 4.34Å; V413-Q420 HydrophobicContact CG1-CB 4.06Å; V413-Q420 PolarHBondContact O-N 3.18Å; F418-Q420 PolarHBondContact O-N 2.86Å
421G92.3Very high94Very high71 Ų7167.4 Ų67.473%0.73236%0.361SS*.THydrogen-bonded Turntrans90-5.5-174.200000114.7R419 T423R419-G421 PolarHBondContact O-N 2.77Å; G421-T423 PolarHBondContact O-N 2.79Å
422T94.3Very high93.9Very high43 Ų4365.4 Ų65.426%0.26435%0.351SS..  trans-62.2119.4173.4-61.70000110.7F418 R419 I427 S432F418-T422 HydrophobicContact CB-CG2 4.14Å; F418-T422 HydrophobicContact CG-CG2 4.47Å; R419-T422 VanDerWaalsContact O-CB 3.23Å; R419-T422 WeakPolarHBondContact O-CB 3.49Å; R419-T422 PolarHBondContact O-N 3.2Å; R419-T422 PolarHBondContact O-OG1 3.42Å; T422-I427 HydrophobicContact CG2-CG1 3.85Å; T422-S432 VanDerWaalsContact CG2-CB 3.49Å
423T93.9Very high94Very high90 Ų9066.9 Ų66.955%0.55236%0.356SS*.  trans-81.5162.2172.869.40000110.9G421 K425 G426 I427G421-T423 PolarHBondContact O-N 2.79Å; T423-K425 PolarHBondContact O-N 3.02Å; T423-G426 PolarHBondContact O-N 3.48Å; T423-G426 PolarHBondContact OG1-N 3.33Å; T423-I427 PolarHBondContact O-N 3.5Å
424K90.9Very high94Very high198 Ų19866.5 Ų66.586%0.86135%0.354SS*.G310 helixtrans-54.3-37.7176.1-68.3-176.7-179.9178.40112.8G426K424-G426 VanDerWaalsContact C-N 3.33Å
425K92.8Very high94Very high208 Ų20868.8 Ų68.890%0.90436%0.364SS*.G310 helixtrans-70.9-27.3177.5-64.6-174.1-180-177.20112.9T423T423-K425 PolarHBondContact O-N 3.02Å
426G91.1Very high94.1Very high22 Ų2266.9 Ų66.923%0.22735%0.35CS..G310 helixtrans-82.7-11.8-179.100000114.7T423 K424 G428 S429 S432T423-G426 PolarHBondContact O-N 3.48Å; T423-G426 PolarHBondContact OG1-N 3.33Å; K424-G426 VanDerWaalsContact C-N 3.33Å; G426-G428 PolarHBondContact O-N 3.07Å; G426-S429 VanDerWaalsContact O-CB 3.32Å; G426-S429 WeakPolarHBondContact O-CB 3.45Å; G426-S429 PolarHBondContact O-N 3.46Å; G426-S429 PolarHBondContact O-OG 2.97Å; G426-S432 WeakPolarHBondContact O-CB 3.27Å; G426-S432 PolarHBondContact O-OG 3.31Å
427I92.8Very high94.3Very high56 Ų5663.3 Ų63.329%0.28733%0.331SS..THydrogen-bonded Turntrans-61.8131.4179.3-65.6174.9000110R77 F418 T422 T423R77-I427 VanDerWaalsContact CZ-CG2 3.41Å; F418-I427 HydrophobicContact CD2-CD1 4.41Å; F418-I427 HydrophobicContact CE1-CG1 4.45Å; F418-I427 HydrophobicContact CE1-CG2 3.8Å; F418-I427 HydrophobicContact CE2-CD1 3.98Å; F418-I427 HydrophobicContact CE2-CG1 4.34Å; F418-I427 HydrophobicContact CZ-CD1 4.2Å; F418-I427 HydrophobicContact CZ-CG1 4.3Å; F418-I427 HydrophobicContact CZ-CG2 3.79Å; T422-I427 HydrophobicContact CG2-CG1 3.85Å; T423-I427 PolarHBondContact O-N 3.5Å
428G91.4Very high94.5Very high27 Ų2764.4 Ų64.428%0.27834%0.336SS..THydrogen-bonded Turntrans102.2-22.9-177.800000113.3G426 S432 R433G426-G428 PolarHBondContact O-N 3.07Å; G428-S432 PolarHBondContact N-OG 3.11Å; G428-R433 PolarHBondContact O-NH2 2.87Å
429S94.1Very high94.5Very high47 Ų4763.4 Ų63.433%0.32933%0.332SS..SBendtrans-67.6153.5173.3720000112G426 Q431 S432G426-S429 VanDerWaalsContact O-CB 3.32Å; G426-S429 WeakPolarHBondContact O-CB 3.45Å; G426-S429 PolarHBondContact O-N 3.46Å; G426-S429 PolarHBondContact O-OG 2.97Å; S429-Q431 PolarHBondContact O-N 3.06Å; S429-S432 PolarHBondContact O-N 3.01Å; S429-S432 PolarHBondContact O-OG 3.03Å; S429-S432 PolarHBondContact OG-N 3.16Å
430H92.4Very high94.6Very high122 Ų12259.9 Ų59.957%0.56532%0.319SS*.G310 helixtrans-59-30.6174-70.2-82.4000113.3S432 R433H430-S432 VanDerWaalsContact C-N 3.29Å; H430-S432 PolarHBondContact O-N 3.13Å; H430-R433 PolarHBondContact CE1-NH1 3.13Å; H430-R433 VanDerWaalsContact CE1-NH1 3.3Å; H430-R433 PolarHBondContact ND1-NH1 3.39Å; H430-R433 PolarHBondContact O-N 3.04Å
431Q92.3Very high94.8Very high161 Ų16156.5 Ų56.575%0.75230%0.304SS*.G310 helixtrans-71.4-26.2-177.5-64.2164.416.200112.5R419 S429R419-Q431 WeakPolarHBondContact CD-O 3.4Å; R419-Q431 PolarHBondContact NH1-O 3Å; R419-Q431 VanDerWaalsContact NH1-O 3.08Å; S429-Q431 PolarHBondContact O-N 3.06Å
432S94.5Very high95.1Very high2 Ų253.1 Ų53.11%0.01427%0.269CS..G310 helixtrans-79.2-17.7178.370.20000114.5R419 T422 G426 G428 S429 H430R419-S432 PolarHBondContact N-O 2.9Å; T422-S432 VanDerWaalsContact CG2-CB 3.49Å; G426-S432 WeakPolarHBondContact O-CB 3.27Å; G426-S432 PolarHBondContact O-OG 3.31Å; G428-S432 PolarHBondContact N-OG 3.11Å; S429-S432 PolarHBondContact O-N 3.01Å; S429-S432 PolarHBondContact O-OG 3.03Å; S429-S432 PolarHBondContact OG-N 3.16Å; H430-S432 VanDerWaalsContact C-N 3.29Å; H430-S432 PolarHBondContact O-N 3.13Å
433R96.1Very high95.2Very high35 Ų3553.3 Ų53.313%0.13227%0.267CS..SBendtrans-80.2129-170.9-64.5174.3-165.3-177.83.8111D81 R419 G428 H430 E440D81-R433 HydrophobicContact CB-CG 4.01Å; R419-R433 WeakPolarHBondContact CD-O 3.45Å; R419-R433 WeakPolarHBondContact CG-O 3.44Å; G428-R433 PolarHBondContact O-NH2 2.87Å; H430-R433 PolarHBondContact CE1-NH1 3.13Å; H430-R433 VanDerWaalsContact CE1-NH1 3.3Å; H430-R433 PolarHBondContact ND1-NH1 3.39Å; H430-R433 PolarHBondContact O-N 3.04Å; R433-E440 HydrophobicContact CB-CG 3.77Å; R433-E440 WeakPolarHBondContact CD-OE1 3.08Å; R433-E440 IonicContact NH1-OE1 3.8Å
434S97Very high95.4Very high0 Ų051.7 Ų51.70%026%0.256CS..  trans-66.1142.5170.8177.90000110.9D412 I436 C437 E440D412-S434 WeakPolarHBondContact OD2-CA 3.38Å; D412-S434 WeakPolarHBondContact OD2-CB 3.19Å; D412-S434 PolarHBondContact OD2-OG 2.76Å; S434-I436 PolarHBondContact O-N 3.26Å; S434-I436 VanDerWaalsContact O-N 3.08Å; S434-I436 WeakPolarHBondContact OG-CG1 3.23Å; S434-I436 PolarHBondContact OG-N 3.47Å; S434-C437 PolarHBondContact O-N 3.21Å; S434-C437 PolarHBondContact O-SG 3.09Å; S434-E440 WeakPolarHBondContact O-CG 3.36Å
435K97Very high95.8Very high51 Ų5142.2 Ų42.222%0.22222%0.215CC..THydrogen-bonded Turntrans-65.5-14.1177-69.5-70.2155.3-163.90113.7D412 E440D412-K435 PolarHBondContact OD2-N 2.7Å; D412-K435 VanDerWaalsContact OD2-N 3.12Å; K435-E440 IonicContact NZ-OE2 3.63Å; K435-E440 PolarHBondContact NZ-OE2 3.4Å
436I98Very high96Very high0 Ų034.4 Ų34.40%018%0.182CC..THydrogen-bonded Turntrans-107.811174.563156.9000112.3L83 V91 R94 S434L83-I436 HydrophobicContact CD1-CD1 4.48Å; L83-I436 HydrophobicContact CD2-CD1 3.99Å; V91-I436 HydrophobicContact CB-CD1 4.41Å; V91-I436 HydrophobicContact CG1-CD1 3.81Å; R94-I436 HydrophobicContact CB-CB 3.97Å; R94-I436 HydrophobicContact CB-CD1 4.08Å; R94-I436 HydrophobicContact CB-CG2 4.48Å; R94-I436 PolarHBondContact NE-O 2.91Å; R94-I436 PolarHBondContact NH2-O 3.48Å; S434-I436 PolarHBondContact O-N 3.26Å; S434-I436 VanDerWaalsContact O-N 3.08Å; S434-I436 WeakPolarHBondContact OG-CG1 3.23Å; S434-I436 PolarHBondContact OG-N 3.47Å
437C97.8Very high96.2Very high0 Ų040.8 Ų40.80%020%0.203CC..SBendtrans-72172.1171.574.30000111.2R94 S434 V439 L441R94-C437 PolarHBondContact NH2-O 3.49Å; S434-C437 PolarHBondContact O-N 3.21Å; S434-C437 PolarHBondContact O-SG 3.09Å; C437-V439 VanDerWaalsContact SG-CG1 3.59Å; C437-L441 WeakPolarHBondContact O-CG 3.24Å; C437-L441 PolarHBondContact O-N 3.25Å
438K98.1Very high96.4Very high23 Ų2338.2 Ų38.210%0.119%0.19CC..Hα-helixtrans-65.6-46.3-172.3-61.6176.3-179.3166.30111.2G80 L441 F442 Y469 Y501 F504G80-K438 PolarHBondContact O-N 3.44Å; G80-K438 VanDerWaalsContact O-N 3.09Å; K438-L441 PolarHBondContact O-N 2.91Å; K438-F442 WeakPolarHBondContact O-CB 3.49Å; K438-F442 PolarHBondContact O-N 3.21Å; K438-Y469 HydrophobicContact CB-CE1 4.46Å; K438-Y469 HydrophobicContact CD-CE1 4.22Å; K438-Y501 PolarHBondContact NZ-O 3.49Å; K438-F504 HydrophobicContact CB-CE1 4.27Å; K438-F504 HydrophobicContact CB-CE2 4.47Å; K438-F504 HydrophobicContact CB-CZ 3.6Å; K438-F504 HydrophobicContact CD-CE1 4.13Å; K438-F504 HydrophobicContact CD-CZ 4.22Å
439V97.8Very high96.6Very high5 Ų537.8 Ų37.83%0.0318%0.182CC..Hα-helixtrans-65.2-40.2-176.868.80000112.2G80 D81 C437 F442 H443 F504G80-V439 PolarHBondContact O-N 2.89Å; G80-V439 VanDerWaalsContact O-N 3.08Å; D81-V439 HydrophobicContact CB-CG1 4.2Å; C437-V439 VanDerWaalsContact SG-CG1 3.59Å; V439-F442 PolarHBondContact O-N 2.82Å; V439-H443 WeakPolarHBondContact CG2-NE2 3.48Å; V439-H443 WeakPolarHBondContact O-CB 3.4Å; V439-H443 VanDerWaalsContact O-CG 3.23Å; V439-H443 PolarHBondContact O-N 3.19Å; V439-F504 HydrophobicContact CB-CD2 4.19Å; V439-F504 HydrophobicContact CB-CE2 3.92Å; V439-F504 HydrophobicContact CG2-CD2 4.12Å; V439-F504 HydrophobicContact CG2-CE2 4.22Å
440E97.8Very high96.6Very high16 Ų1640.5 Ų40.58%0.07520%0.201CC..Hα-helixtrans-71.4-36.8179.3-68.4-69.1128.400112.7R433 S434 K435 F442 H443 T444R433-E440 HydrophobicContact CB-CG 3.77Å; R433-E440 WeakPolarHBondContact CD-OE1 3.08Å; R433-E440 IonicContact NH1-OE1 3.8Å; S434-E440 WeakPolarHBondContact O-CG 3.36Å; K435-E440 IonicContact NZ-OE2 3.63Å; K435-E440 PolarHBondContact NZ-OE2 3.4Å; E440-F442 VanDerWaalsContact C-N 3.3Å; E440-H443 IonicContact OE1-ND1 2.82Å; E440-T444 WeakPolarHBondContact O-CB 3.25Å; E440-T444 PolarHBondContact O-N 3.34Å; E440-T444 PolarHBondContact O-OG1 3.48Å
441L98.3Very high96.7Very high10 Ų1037.7 Ų37.75%0.05220%0.195CC..Hα-helixtrans-65.5-36.9171.1-68.9-178.5000111.4R98 L101 C437 K438 T444 F445R98-L441 HydrophobicContact CB-CD2 3.89Å; R98-L441 HydrophobicContact CG-CD2 4.39Å; L101-L441 HydrophobicContact CD1-CD2 4.26Å; C437-L441 WeakPolarHBondContact O-CG 3.24Å; C437-L441 PolarHBondContact O-N 3.25Å; K438-L441 PolarHBondContact O-N 2.91Å; L441-T444 PolarHBondContact O-N 3.35Å; L441-F445 WeakPolarHBondContact O-CB 3.23Å; L441-F445 PolarHBondContact O-N 3.43Å
442F98.5Very high96.8Very high0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-69.1-46.2178-175.3-141.9000112.3L318 K438 V439 E440 T444 F445 Q446 Y469 Y472 F504 T505L318-F442 HydrophobicContact CD1-CD2 3.98Å; K438-F442 WeakPolarHBondContact O-CB 3.49Å; K438-F442 PolarHBondContact O-N 3.21Å; V439-F442 PolarHBondContact O-N 2.82Å; E440-F442 VanDerWaalsContact C-N 3.3Å; F442-T444 PolarHBondContact O-N 3.4Å; F442-F445 HydrophobicContact CD2-CD1 4.15Å; F442-F445 HydrophobicContact CE2-CD1 4.19Å; F442-F445 CarbonylContact O-C 3.52Å; F442-F445 WeakPolarHBondContact O-CA 3.3Å; F442-F445 WeakPolarHBondContact O-CB 3.28Å; F442-F445 PolarHBondContact O-N 2.78Å; F442-Q446 HydrophobicContact CD2-CG 4.15Å; F442-Q446 HydrophobicContact CE2-CG 3.81Å; F442-Q446 HydrophobicContact CZ-CG 4.02Å; F442-Q446 VanDerWaalsContact CZ-NE2 3.33Å; F442-Q446 PolarHBondContact O-N 3.05Å; F442-Y469 HydrophobicContact CB-CD2 3.63Å; F442-Y469 HydrophobicContact CB-CE2 4.04Å; F442-Y469 AromaticContact CD1-CD2 3.95Å; F442-Y469 HydrophobicContact CD1-CD2 3.95Å; F442-Y469 HydrophobicContact CD1-CG 4.36Å; F442-Y469 AromaticContact CD2-CD2 3.75Å; F442-Y469 HydrophobicContact CD2-CD2 3.75Å; F442-Y469 HydrophobicContact CD2-CE2 4.49Å; F442-Y469 HydrophobicContact CE2-CD2 4.38Å; F442-Y469 AromaticContact CG-CD2 3.51Å; F442-Y469 HydrophobicContact CG-CD2 3.51Å; F442-Y469 HydrophobicContact CG-CE2 4.33Å; F442-Y469 HydrophobicContact CG-CG 4.35Å; F442-Y472 HydrophobicContact CE2-CD1 4.48Å; F442-Y472 AromaticContact CE2-CD2 3.51Å; F442-Y472 HydrophobicContact CE2-CD2 3.51Å; F442-Y472 HydrophobicContact CE2-CE2 4.03Å; F442-Y472 AromaticContact CE2-CG 3.77Å; F442-Y472 HydrophobicContact CE2-CG 3.77Å; F442-Y472 AromaticContact CZ-CD2 3.36Å; F442-Y472 HydrophobicContact CZ-CD2 3.36Å; F442-Y472 AromaticContact CZ-CE2 3.69Å; F442-Y472 HydrophobicContact CZ-CE2 3.69Å; F442-Y472 HydrophobicContact CZ-CG 4.1Å; F442-F504 HydrophobicContact CB-CE2 4.48Å; F442-F504 HydrophobicContact CD1-CD2 4.47Å; F442-F504 HydrophobicContact CD1-CE2 4.1Å; F442-T505 WeakPolarHBondContact CD1-OXT 3.44Å; F442-T505 WeakPolarHBondContact CE1-OXT 3.44Å
443H97.6Very high96.7Very high47 Ų4733.5 Ų33.522%0.21818%0.181CC..Hα-helixtrans-57.1-39.7172.5-68.6171.8000112V439 E440 F445 Q446 K447V439-H443 WeakPolarHBondContact CG2-NE2 3.48Å; V439-H443 WeakPolarHBondContact O-CB 3.4Å; V439-H443 VanDerWaalsContact O-CG 3.23Å; V439-H443 PolarHBondContact O-N 3.19Å; E440-H443 IonicContact OE1-ND1 2.82Å; H443-F445 VanDerWaalsContact C-N 3.33Å; H443-Q446 PolarHBondContact CD2-OE1 2.83Å; H443-Q446 PolarHBondContact O-N 3.19Å; H443-K447 WeakPolarHBondContact O-CB 3.27Å; H443-K447 VanDerWaalsContact O-CG 3.28Å; H443-K447 WeakPolarHBondContact O-CG 3.19Å; H443-K447 PolarHBondContact O-N 3.1Å
444T97.3Very high96.4Very high55 Ų5537.7 Ų37.734%0.33720%0.203SC..Hα-helixtrans-64.3-40.9176-55.50000111.1L101 E440 L441 F442 L448L101-T444 HydrophobicContact CB-CG2 4.21Å; L101-T444 HydrophobicContact CD1-CG2 4.16Å; E440-T444 WeakPolarHBondContact O-CB 3.25Å; E440-T444 PolarHBondContact O-N 3.34Å; E440-T444 PolarHBondContact O-OG1 3.48Å; L441-T444 PolarHBondContact O-N 3.35Å; F442-T444 PolarHBondContact O-N 3.4Å; T444-L448 PolarHBondContact O-N 3.29Å; T444-L448 VanDerWaalsContact O-N 3.15Å
445F98.3Very high96.1Very high0 Ų044.2 Ų44.20%023%0.233CC..Hα-helixtrans-64.4-46.6174.2172.2-88.9000112.4L101 L318 H321 F322 L441 F442 H443 K447 L448 V449 L461 Y472L101-F445 HydrophobicContact CD2-CB 3.98Å; L101-F445 HydrophobicContact CD2-CD2 4.07Å; L318-F445 HydrophobicContact CB-CD2 3.85Å; L318-F445 HydrophobicContact CB-CE2 3.99Å; L318-F445 HydrophobicContact CB-CG 4.23Å; L318-F445 HydrophobicContact CD1-CB 4.2Å; L318-F445 HydrophobicContact CD1-CD1 4.38Å; L318-F445 HydrophobicContact CD1-CG 4.12Å; L318-F445 HydrophobicContact CD2-CD1 4.4Å; L318-F445 HydrophobicContact CD2-CE1 4.32Å; L318-F445 HydrophobicContact CD2-CZ 4.49Å; L318-F445 WeakPolarHBondContact O-CE2 3.1Å; H321-F445 AromaticContact CD2-CZ 3.73Å; F322-F445 AromaticContact CD2-CE2 3.96Å; F322-F445 HydrophobicContact CD2-CE2 3.96Å; F322-F445 AromaticContact CE2-CD2 3.97Å; F322-F445 HydrophobicContact CE2-CD2 3.97Å; F322-F445 AromaticContact CE2-CE2 3.37Å; F322-F445 HydrophobicContact CE2-CE2 3.37Å; F322-F445 HydrophobicContact CE2-CZ 4.04Å; F322-F445 HydrophobicContact CZ-CE2 4.33Å; L441-F445 WeakPolarHBondContact O-CB 3.23Å; L441-F445 PolarHBondContact O-N 3.43Å; F442-F445 HydrophobicContact CD2-CD1 4.15Å; F442-F445 HydrophobicContact CE2-CD1 4.19Å; F442-F445 CarbonylContact O-C 3.52Å; F442-F445 WeakPolarHBondContact O-CA 3.3Å; F442-F445 WeakPolarHBondContact O-CB 3.28Å; F442-F445 PolarHBondContact O-N 2.78Å; H443-F445 VanDerWaalsContact C-N 3.33Å; F445-K447 VanDerWaalsContact C-N 3.32Å; F445-K447 PolarHBondContact O-N 3.09Å; F445-L448 WeakPolarHBondContact O-CB 3.36Å; F445-L448 PolarHBondContact O-N 3.33Å; F445-L448 VanDerWaalsContact O-N 3.1Å; F445-V449 HydrophobicContact CD1-CG2 4.09Å; F445-V449 HydrophobicContact CE1-CG2 3.59Å; F445-V449 HydrophobicContact CE2-CG2 4.38Å; F445-V449 HydrophobicContact CZ-CG2 3.77Å; F445-V449 WeakPolarHBondContact O-CG2 3.39Å; F445-V449 PolarHBondContact O-N 2.81Å; F445-L461 HydrophobicContact CE1-CD2 4.43Å; F445-L461 HydrophobicContact CZ-CD1 4.13Å; F445-L461 HydrophobicContact CZ-CD2 4.01Å; F445-Y472 HydrophobicContact CD1-CD1 4.47Å; F445-Y472 AromaticContact CE1-CD1 3.52Å; F445-Y472 HydrophobicContact CE1-CD1 3.52Å; F445-Y472 AromaticContact CE1-CE1 3.94Å; F445-Y472 HydrophobicContact CE1-CE1 3.94Å; F445-Y472 HydrophobicContact CE1-CG 4.25Å; F445-Y472 HydrophobicContact CZ-CD1 4.24Å
446Q97.4Very high95.9Very high44 Ų4444.9 Ų44.921%0.20624%0.239CC..Hα-helixtrans-59.9-42.5176.9-74.3165.2-42.800111.5F442 H443 L448 V449 S450 T505F442-Q446 HydrophobicContact CD2-CG 4.15Å; F442-Q446 HydrophobicContact CE2-CG 3.81Å; F442-Q446 HydrophobicContact CZ-CG 4.02Å; F442-Q446 VanDerWaalsContact CZ-NE2 3.33Å; F442-Q446 PolarHBondContact O-N 3.05Å; H443-Q446 PolarHBondContact CD2-OE1 2.83Å; H443-Q446 PolarHBondContact O-N 3.19Å; Q446-L448 VanDerWaalsContact C-N 3.28Å; Q446-L448 PolarHBondContact O-N 2.91Å; Q446-V449 WeakPolarHBondContact O-CB 3.14Å; Q446-V449 PolarHBondContact O-N 2.89Å; Q446-V449 VanDerWaalsContact O-N 3.13Å; Q446-S450 PolarHBondContact O-N 3.25Å; Q446-S450 PolarHBondContact O-OG 3.01Å; Q446-S450 VanDerWaalsContact O-OG 3.13Å; Q446-T505 PolarHBondContact NE2-OXT 3.42Å; Q446-T505 PolarHBondContact OE1-OXT 3.44Å
447K96.3Very high95.7Very high155 Ų15544.9 Ų44.967%0.67424%0.239SC*.Hα-helixtrans-58.1-40.2174.1-75.3176.7179.7-170.20112.6H443 F445 S451H443-K447 WeakPolarHBondContact O-CB 3.27Å; H443-K447 VanDerWaalsContact O-CG 3.28Å; H443-K447 WeakPolarHBondContact O-CG 3.19Å; H443-K447 PolarHBondContact O-N 3.1Å; F445-K447 VanDerWaalsContact C-N 3.32Å; F445-K447 PolarHBondContact O-N 3.09Å; K447-S451 WeakPolarHBondContact O-CB 3.27Å; K447-S451 PolarHBondContact O-N 2.87Å; K447-S451 VanDerWaalsContact O-N 3.11Å
448L96.1Very high95.5Very high3 Ų345 Ų452%0.01624%0.24CC..Hα-helixtrans-62.8-48.5173.7171.263.8000111L101 M104 W105 A108 F322 T444 F445 Q446 S450 S451 I452L101-L448 HydrophobicContact CD2-CD2 4.34Å; M104-L448 HydrophobicContact CB-CD2 3.9Å; M104-L448 HydrophobicContact CG-CD2 3.61Å; W105-L448 HydrophobicContact CB-CD1 4Å; W105-L448 HydrophobicContact CG-CD1 4.47Å; A108-L448 HydrophobicContact CB-CD1 4.11Å; F322-L448 HydrophobicContact CD2-CD2 4.04Å; F322-L448 HydrophobicContact CE2-CD2 3.61Å; F322-L448 HydrophobicContact CE2-CG 4.12Å; F322-L448 HydrophobicContact CZ-CD2 4.1Å; F322-L448 HydrophobicContact CZ-CG 4.13Å; T444-L448 PolarHBondContact O-N 3.29Å; T444-L448 VanDerWaalsContact O-N 3.15Å; F445-L448 WeakPolarHBondContact O-CB 3.36Å; F445-L448 PolarHBondContact O-N 3.33Å; F445-L448 VanDerWaalsContact O-N 3.1Å; Q446-L448 VanDerWaalsContact C-N 3.28Å; Q446-L448 PolarHBondContact O-N 2.91Å; L448-S450 VanDerWaalsContact C-N 3.33Å; L448-S450 PolarHBondContact O-N 3.29Å; L448-S451 PolarHBondContact O-N 3.46Å; L448-S451 VanDerWaalsContact O-N 3.08Å; L448-S451 PolarHBondContact O-OG 2.94Å; L448-I452 HydrophobicContact CD1-CD1 3.96Å; L448-I452 HydrophobicContact CD1-CG1 4.49Å; L448-I452 HydrophobicContact CG-CD1 4.24Å; L448-I452 WeakPolarHBondContact O-CG1 3.08Å; L448-I452 PolarHBondContact O-N 2.87Å
449V95.8Very high95.2Very high17 Ų1748 Ų4810%0.10326%0.257CS..Hα-helixtrans-56-48.1177.1176.70000110.8F322 F445 Q446 S451 I452 L457 L461F322-V449 HydrophobicContact CE2-CG2 4.36Å; F322-V449 HydrophobicContact CZ-CG2 3.88Å; F445-V449 HydrophobicContact CD1-CG2 4.09Å; F445-V449 HydrophobicContact CE1-CG2 3.59Å; F445-V449 HydrophobicContact CE2-CG2 4.38Å; F445-V449 HydrophobicContact CZ-CG2 3.77Å; F445-V449 WeakPolarHBondContact O-CG2 3.39Å; F445-V449 PolarHBondContact O-N 2.81Å; Q446-V449 WeakPolarHBondContact O-CB 3.14Å; Q446-V449 PolarHBondContact O-N 2.89Å; Q446-V449 VanDerWaalsContact O-N 3.13Å; V449-S451 PolarHBondContact O-N 3.02Å; V449-I452 PolarHBondContact O-N 2.88Å; V449-L457 HydrophobicContact CG1-CD1 4.06Å; V449-L457 HydrophobicContact CG1-CD2 4.06Å; V449-L461 HydrophobicContact CG2-CD1 3.99Å
450S94.4Very high95Very high105 Ų10550 Ų5073%0.73427%0.269SS*.Hα-helixtrans-66.8-19.2179.1-55.90000114.2Q446 L448Q446-S450 PolarHBondContact O-N 3.25Å; Q446-S450 PolarHBondContact O-OG 3.01Å; Q446-S450 VanDerWaalsContact O-OG 3.13Å; L448-S450 VanDerWaalsContact C-N 3.33Å; L448-S450 PolarHBondContact O-N 3.29Å
451S94.4Very high94.8Very high62 Ų6250 Ų5043%0.43427%0.269SS..Hα-helixtrans-84-12.3177.870.30000114K447 L448 V449K447-S451 WeakPolarHBondContact O-CB 3.27Å; K447-S451 PolarHBondContact O-N 2.87Å; K447-S451 VanDerWaalsContact O-N 3.11Å; L448-S451 PolarHBondContact O-N 3.46Å; L448-S451 VanDerWaalsContact O-N 3.08Å; L448-S451 PolarHBondContact O-OG 2.94Å; V449-S451 PolarHBondContact O-N 3.02Å
452I94.1Very high94.3Very high25 Ų2554 Ų5413%0.12828%0.284CS..SBendtrans-101.6136.1-178.4-60.8167000108.7A108 F322 L448 V449 N456 L457A108-I452 HydrophobicContact CB-CD1 3.84Å; A108-I452 HydrophobicContact CB-CG1 3.83Å; F322-I452 HydrophobicContact CD1-CD1 4.42Å; F322-I452 HydrophobicContact CE1-CD1 3.65Å; F322-I452 HydrophobicContact CZ-CD1 4.09Å; L448-I452 HydrophobicContact CD1-CD1 3.96Å; L448-I452 HydrophobicContact CD1-CG1 4.49Å; L448-I452 HydrophobicContact CG-CD1 4.24Å; L448-I452 WeakPolarHBondContact O-CG1 3.08Å; L448-I452 PolarHBondContact O-N 2.87Å; V449-I452 PolarHBondContact O-N 2.88Å; I452-N456 HydrophobicContact CG2-CB 3.73Å; I452-L457 HydrophobicContact CB-CD2 3.76Å; I452-L457 HydrophobicContact CB-CG 4.23Å; I452-L457 HydrophobicContact CD1-CD2 4.18Å; I452-L457 HydrophobicContact CG2-CD2 3.83Å; I452-L457 HydrophobicContact CG2-CG 3.99Å
453S92.3Very high93Very high50 Ų5061.1 Ų61.135%0.3532%0.319SS..  trans-64.8148.1175.365.50000111.2E455 N456 L457S453-E455 PolarHBondContact O-N 3.39Å; S453-E455 VanDerWaalsContact O-N 3.14Å; S453-E455 WeakPolarHBondContact OG-CG 3.16Å; S453-E455 PolarHBondContact OG-OE1 2.94Å; S453-N456 PolarHBondContact O-N 3.43Å; S453-N456 PolarHBondContact OG-ND2 3.23Å; S453-L457 PolarHBondContact O-N 2.7Å
454Q90.7Very high91.9Very high124 Ų12465.2 Ų65.258%0.57934%0.336SS*.G310 helixtrans-55.6-35-174.4-76.9-68.8-23.200113.9N456 L457 R462Q454-N456 VanDerWaalsContact C-N 3.28Å; Q454-N456 PolarHBondContact O-N 3.26Å; Q454-L457 PolarHBondContact O-N 2.82Å; Q454-R462 PolarHBondContact O-NE 2.83Å
455E90.8Very high91.3Very high136 Ų13669.1 Ų69.164%0.63636%0.36SS*.G310 helixtrans-67.5-27.3176.971.9-145.416100113.2T122 S453 R462T122-E455 WeakPolarHBondContact CG2-O 3.4Å; S453-E455 PolarHBondContact O-N 3.39Å; S453-E455 VanDerWaalsContact O-N 3.14Å; S453-E455 WeakPolarHBondContact OG-CG 3.16Å; S453-E455 PolarHBondContact OG-OE1 2.94Å; E455-R462 PolarHBondContact O-NH2 2.89Å
456N91.8Very high91.1Very high65 Ų6570.1 Ų70.135%0.34837%0.365SS..G310 helixtrans-97.9-4.3-177.6-70.3-46.7000112.8G123 I452 S453 Q454G123-N456 WeakPolarHBondContact CA-O 3.49Å; I452-N456 HydrophobicContact CG2-CB 3.73Å; S453-N456 PolarHBondContact O-N 3.43Å; S453-N456 PolarHBondContact OG-ND2 3.23Å; Q454-N456 VanDerWaalsContact C-N 3.28Å; Q454-N456 PolarHBondContact O-N 3.26Å
457L94.2Very high90.9Very high1 Ų174.4 Ų74.41%0.00539%0.385CS..SBendtrans-74145.6172.6-76.5175.1000111.1F322 V449 I452 S453 Q454 L461 R462F322-L457 HydrophobicContact CE1-CD2 4.11Å; F322-L457 HydrophobicContact CZ-CD2 4.48Å; V449-L457 HydrophobicContact CG1-CD1 4.06Å; V449-L457 HydrophobicContact CG1-CD2 4.06Å; I452-L457 HydrophobicContact CB-CD2 3.76Å; I452-L457 HydrophobicContact CB-CG 4.23Å; I452-L457 HydrophobicContact CD1-CD2 4.18Å; I452-L457 HydrophobicContact CG2-CD2 3.83Å; I452-L457 HydrophobicContact CG2-CG 3.99Å; S453-L457 PolarHBondContact O-N 2.7Å; Q454-L457 PolarHBondContact O-N 2.82Å; L457-L461 HydrophobicContact CD2-CD1 4.45Å; L457-R462 PolarHBondContact O-NH2 3.08Å
458P94Very high90.9Very high1 Ų168 Ų681%0.00636%0.359CS..  trans-58147168-20.929.7000112.3G123 H321 F322 T460 L461 R462G123-P458 WeakPolarHBondContact O-CG 3.28Å; H321-P458 WeakPolarHBondContact O-CB 3.02Å; H321-P458 VanDerWaalsContact O-CG 3.22Å; H321-P458 WeakPolarHBondContact O-CG 3.44Å; F322-P458 HydrophobicContact CD1-CG 3.69Å; F322-P458 HydrophobicContact CE1-CG 4.06Å; P458-T460 PolarHBondContact O-N 2.75Å; P458-T460 VanDerWaalsContact O-N 3.14Å; P458-L461 HydrophobicContact CG-CD1 4.44Å; P458-L461 PolarHBondContact O-N 2.96Å; P458-R462 PolarHBondContact O-N 3.12Å
459D92.2Very high91Very high88 Ų8869 Ų6947%0.47136%0.363SS..Hα-helixtrans-56-37.7-177.7-66.8-23000113.2L461 R462 M463D459-L461 PolarHBondContact O-N 3.15Å; D459-R462 PolarHBondContact O-N 3.22Å; D459-R462 IonicContact OD1-CZ 3.93Å; D459-R462 IonicContact OD1-NH1 2.74Å; D459-R462 PolarHBondContact OD1-NH1 3.22Å; D459-R462 IonicContact OD1-NH2 3.88Å; D459-R462 PolarHBondContact OD1-NH2 3.29Å; D459-M463 HydrophobicContact CB-CG 4.48Å; D459-M463 HydrophobicContact CB-SD 4.06Å; D459-M463 WeakPolarHBondContact O-CG 3.03Å; D459-M463 PolarHBondContact O-N 2.99Å; D459-M463 VanDerWaalsContact O-N 3.07Å
460T93.3Very high91Very high46 Ų4668.4 Ų68.428%0.28236%0.359SS..Hα-helixtrans-56.3-21.4175.656.90000114.6H321 P458H321-T460 WeakPolarHBondContact ND1-CB 3.31Å; H321-T460 PolarHBondContact ND1-OG1 3.13Å; P458-T460 PolarHBondContact O-N 2.75Å; P458-T460 VanDerWaalsContact O-N 3.14Å
461L93.8Very high91.1Very high15 Ų1565.8 Ų65.88%0.07934%0.337CS..Hα-helixtrans-105.8-14.5177.9-64.8175.1000113.1H321 F322 F445 V449 L457 P458 D459 L466 Y472H321-L461 HydrophobicContact CB-CD1 3.78Å; H321-L461 HydrophobicContact CB-CD2 4.39Å; H321-L461 HydrophobicContact CB-CG 4.03Å; F322-L461 HydrophobicContact CE1-CD1 3.88Å; F322-L461 HydrophobicContact CE2-CD1 4.19Å; F322-L461 HydrophobicContact CZ-CD1 3.63Å; F445-L461 HydrophobicContact CE1-CD2 4.43Å; F445-L461 HydrophobicContact CZ-CD1 4.13Å; F445-L461 HydrophobicContact CZ-CD2 4.01Å; V449-L461 HydrophobicContact CG2-CD1 3.99Å; L457-L461 HydrophobicContact CD2-CD1 4.45Å; P458-L461 HydrophobicContact CG-CD1 4.44Å; P458-L461 PolarHBondContact O-N 2.96Å; D459-L461 PolarHBondContact O-N 3.15Å; L461-L466 HydrophobicContact CD2-CD1 4.02Å; L461-Y472 HydrophobicContact CD2-CD1 3.73Å; L461-Y472 HydrophobicContact CD2-CE1 3.93Å
462R86.6Confident91.3Very high96 Ų9664.5 Ų64.536%0.36232%0.323SS..Hα-helixtrans-89.6-38-179.5-163.2-169.9-57.71335.6112.5Q454 E455 L457 P458 D459Q454-R462 PolarHBondContact O-NE 2.83Å; E455-R462 PolarHBondContact O-NH2 2.89Å; L457-R462 PolarHBondContact O-NH2 3.08Å; P458-R462 PolarHBondContact O-N 3.12Å; D459-R462 PolarHBondContact O-N 3.22Å; D459-R462 IonicContact OD1-CZ 3.93Å; D459-R462 IonicContact OD1-NH1 2.74Å; D459-R462 PolarHBondContact OD1-NH1 3.22Å; D459-R462 IonicContact OD1-NH2 3.88Å; D459-R462 PolarHBondContact OD1-NH2 3.29Å
463M72Confident91.4Very high148 Ų14865.8 Ų65.873%0.72933%0.328SS*.SBendtrans-86.7-10.1-162.3-65.5-178.273.600115.5D459D459-M463 HydrophobicContact CB-CG 4.48Å; D459-M463 HydrophobicContact CB-SD 4.06Å; D459-M463 WeakPolarHBondContact O-CG 3.03Å; D459-M463 PolarHBondContact O-N 2.99Å; D459-M463 VanDerWaalsContact O-N 3.07Å
464K75.2Confident91.6Very high134 Ų13467.4 Ų67.458%0.58333%0.33SS*.SBendtrans-134.6143.8-175.4-66.5-174.8-179.5-178.30111L466K464-L466 HydrophobicContact CB-CD2 4.03Å; K464-L466 HydrophobicContact CB-CG 4.3Å; K464-L466 PolarHBondContact O-N 3.44Å
465T84Confident91.9Very high136 Ų13662 Ų6283%0.83431%0.306SS*.  trans-69.4111.71640.70000108.4
466L93.9Very high92.1Very high22 Ų2255.8 Ų55.812%0.11528%0.278CS..  trans-114.9121179.9-58.3174.4000108.6L461 K464 D471 Y472 A475L461-L466 HydrophobicContact CD2-CD1 4.02Å; K464-L466 HydrophobicContact CB-CD2 4.03Å; K464-L466 HydrophobicContact CB-CG 4.3Å; K464-L466 PolarHBondContact O-N 3.44Å; L466-D471 HydrophobicContact CB-CB 4.37Å; L466-D471 HydrophobicContact CD2-CB 3.93Å; L466-Y472 HydrophobicContact CB-CD1 4.1Å; L466-Y472 HydrophobicContact CB-CD2 3.75Å; L466-Y472 HydrophobicContact CB-CE1 3.84Å; L466-Y472 HydrophobicContact CB-CE2 3.44Å; L466-Y472 VanDerWaalsContact CB-CE2 3.44Å; L466-Y472 HydrophobicContact CB-CG 4.07Å; L466-Y472 VanDerWaalsContact CB-CZ 3.49Å; L466-Y472 HydrophobicContact CD1-CD1 3.64Å; L466-Y472 HydrophobicContact CD1-CE1 3.78Å; L466-Y472 HydrophobicContact CD1-CG 4.12Å; L466-Y472 HydrophobicContact CG-CE1 4.47Å; L466-Y472 WeakPolarHBondContact O-CE2 3.46Å; L466-Y472 PolarHBondContact O-OH 3.15Å; L466-Y472 VanDerWaalsContact O-OH 3.07Å; L466-A475 HydrophobicContact CD1-CB 3.88Å; L466-A475 HydrophobicContact CD2-CB 3.81Å
467E93.1Very high92.3Very high134 Ų13457 Ų5763%0.62628%0.284SS*.  trans-111.7-48.9-174.3-64.2-175.3175.300111.5D471E467-D471 PolarHBondContact N-OD2 3.36Å
468T96.6Very high92.3Very high20 Ų2060 Ų6012%0.12330%0.3CS..SBendtrans-99.7157.3-171.875.30000112.7C470 D471 Y472 F504T468-C470 PolarHBondContact O-N 3.02Å; T468-C470 VanDerWaalsContact O-N 3.08Å; T468-C470 PolarHBondContact OG1-N 3.03Å; T468-D471 WeakPolarHBondContact CB-OD2 3.31Å; T468-D471 PolarHBondContact N-OD2 3.04Å; T468-D471 WeakPolarHBondContact O-CB 3.47Å; T468-D471 PolarHBondContact O-N 3.03Å; T468-D471 PolarHBondContact OG1-N 3.36Å; T468-D471 PolarHBondContact OG1-OD1 3.01Å; T468-D471 PolarHBondContact OG1-OD2 2.8Å; T468-Y472 WeakPolarHBondContact O-CD2 3.37Å; T468-Y472 PolarHBondContact O-N 2.74Å; T468-F504 WeakPolarHBondContact CA-O 3.41Å
469Y97.8Very high92.5Very high25 Ų2560.4 Ų60.410%0.09830%0.302CS..Hα-helixtrans-54.1-28.7172.5178.8-107.7000112.9L318 K438 F442 K473 L502 F504L318-Y469 HydrophobicContact CD1-CD2 4.09Å; L318-Y469 HydrophobicContact CD1-CE2 3.56Å; L318-Y469 HydrophobicContact CG-CE2 4.26Å; K438-Y469 HydrophobicContact CB-CE1 4.46Å; K438-Y469 HydrophobicContact CD-CE1 4.22Å; F442-Y469 HydrophobicContact CB-CD2 3.63Å; F442-Y469 HydrophobicContact CB-CE2 4.04Å; F442-Y469 AromaticContact CD1-CD2 3.95Å; F442-Y469 HydrophobicContact CD1-CD2 3.95Å; F442-Y469 HydrophobicContact CD1-CG 4.36Å; F442-Y469 AromaticContact CD2-CD2 3.75Å; F442-Y469 HydrophobicContact CD2-CD2 3.75Å; F442-Y469 HydrophobicContact CD2-CE2 4.49Å; F442-Y469 HydrophobicContact CE2-CD2 4.38Å; F442-Y469 AromaticContact CG-CD2 3.51Å; F442-Y469 HydrophobicContact CG-CD2 3.51Å; F442-Y469 HydrophobicContact CG-CE2 4.33Å; F442-Y469 HydrophobicContact CG-CG 4.35Å; Y469-K473 HydrophobicContact CD1-CD 4.05Å; Y469-K473 HydrophobicContact CE1-CD 3.52Å; Y469-K473 HydrophobicContact CE2-CD 4.27Å; Y469-K473 VanDerWaalsContact O-CG 3.3Å; Y469-K473 WeakPolarHBondContact O-CG 3.32Å; Y469-K473 PolarHBondContact O-N 3.47Å; Y469-L502 WeakPolarHBondContact CB-O 3.19Å; Y469-L502 HydrophobicContact CD1-CB 4.16Å; Y469-L502 HydrophobicContact CD1-CD2 3.75Å; Y469-L502 HydrophobicContact CE1-CD2 3.6Å; Y469-F504 WeakPolarHBondContact CB-O 3.37Å; Y469-F504 AromaticContact CD1-CE1 3.82Å; Y469-F504 HydrophobicContact CD1-CE1 3.82Å; Y469-F504 HydrophobicContact CD1-CE2 4.37Å; Y469-F504 AromaticContact CD1-CZ 3.5Å; Y469-F504 HydrophobicContact CD1-CZ 3.5Å; Y469-F504 VanDerWaalsContact CD1-CZ 3.5Å; Y469-F504 HydrophobicContact CD2-CE2 4.29Å; Y469-F504 HydrophobicContact CD2-CZ 4.08Å; Y469-F504 HydrophobicContact CE1-CZ 4.14Å; Y469-F504 HydrophobicContact CG-CE1 4.12Å; Y469-F504 AromaticContact CG-CE2 3.87Å; Y469-F504 HydrophobicContact CG-CE2 3.87Å; Y469-F504 AromaticContact CG-CZ 3.46Å; Y469-F504 HydrophobicContact CG-CZ 3.46Å; Y469-F504 VanDerWaalsContact CG-CZ 3.46Å; Y469-F504 PolarHBondContact N-O 3.46Å
470C96.6Very high92.7Very high4 Ų458.4 Ų58.43%0.02729%0.29CS..Hα-helixtrans-68.5-49.3173.5-1610000111.1T468 Y472 K473 E474 L502T468-C470 PolarHBondContact O-N 3.02Å; T468-C470 VanDerWaalsContact O-N 3.08Å; T468-C470 PolarHBondContact OG1-N 3.03Å; C470-Y472 PolarHBondContact O-N 3.06Å; C470-K473 WeakPolarHBondContact O-CB 3.38Å; C470-K473 PolarHBondContact O-N 3.27Å; C470-E474 WeakPolarHBondContact O-CG 3.17Å; C470-E474 PolarHBondContact O-N 3.09Å; C470-L502 HydrophobicContact CB-CB 3.9Å; C470-L502 PolarHBondContact N-O 3.23Å
471D96.4Very high92.9Very high50 Ų5061.2 Ų61.227%0.26730%0.299SS..Hα-helixtrans-58.5-48.2-177.1-51.4-29.7000111.2L466 E467 T468 K473 E474 A475L466-D471 HydrophobicContact CB-CB 4.37Å; L466-D471 HydrophobicContact CD2-CB 3.93Å; E467-D471 PolarHBondContact N-OD2 3.36Å; T468-D471 WeakPolarHBondContact CB-OD2 3.31Å; T468-D471 PolarHBondContact N-OD2 3.04Å; T468-D471 WeakPolarHBondContact O-CB 3.47Å; T468-D471 PolarHBondContact O-N 3.03Å; T468-D471 PolarHBondContact OG1-N 3.36Å; T468-D471 PolarHBondContact OG1-OD1 3.01Å; T468-D471 PolarHBondContact OG1-OD2 2.8Å; D471-K473 VanDerWaalsContact C-N 3.31Å; D471-K473 PolarHBondContact O-N 3Å; D471-E474 PolarHBondContact O-N 3.13Å; D471-A475 VanDerWaalsContact O-CB 3.3Å; D471-A475 WeakPolarHBondContact O-CB 3.32Å; D471-A475 PolarHBondContact O-N 2.91Å
472Y97.4Very high93.2Very high34 Ų3460.5 Ų60.513%0.13330%0.295CS..Hα-helixtrans-59.7-43.8176-77.5-90.5000111.3H321 F442 F445 L461 L466 T468 C470 E474 A475 A476H321-Y472 PolarHBondContact CE1-O 3.49Å; H321-Y472 PolarHBondContact NE2-O 3.42Å; F442-Y472 HydrophobicContact CE2-CD1 4.48Å; F442-Y472 AromaticContact CE2-CD2 3.51Å; F442-Y472 HydrophobicContact CE2-CD2 3.51Å; F442-Y472 HydrophobicContact CE2-CE2 4.03Å; F442-Y472 AromaticContact CE2-CG 3.77Å; F442-Y472 HydrophobicContact CE2-CG 3.77Å; F442-Y472 AromaticContact CZ-CD2 3.36Å; F442-Y472 HydrophobicContact CZ-CD2 3.36Å; F442-Y472 AromaticContact CZ-CE2 3.69Å; F442-Y472 HydrophobicContact CZ-CE2 3.69Å; F442-Y472 HydrophobicContact CZ-CG 4.1Å; F445-Y472 HydrophobicContact CD1-CD1 4.47Å; F445-Y472 AromaticContact CE1-CD1 3.52Å; F445-Y472 HydrophobicContact CE1-CD1 3.52Å; F445-Y472 AromaticContact CE1-CE1 3.94Å; F445-Y472 HydrophobicContact CE1-CE1 3.94Å; F445-Y472 HydrophobicContact CE1-CG 4.25Å; F445-Y472 HydrophobicContact CZ-CD1 4.24Å; L461-Y472 HydrophobicContact CD2-CD1 3.73Å; L461-Y472 HydrophobicContact CD2-CE1 3.93Å; L466-Y472 HydrophobicContact CB-CD1 4.1Å; L466-Y472 HydrophobicContact CB-CD2 3.75Å; L466-Y472 HydrophobicContact CB-CE1 3.84Å; L466-Y472 HydrophobicContact CB-CE2 3.44Å; L466-Y472 VanDerWaalsContact CB-CE2 3.44Å; L466-Y472 HydrophobicContact CB-CG 4.07Å; L466-Y472 VanDerWaalsContact CB-CZ 3.49Å; L466-Y472 HydrophobicContact CD1-CD1 3.64Å; L466-Y472 HydrophobicContact CD1-CE1 3.78Å; L466-Y472 HydrophobicContact CD1-CG 4.12Å; L466-Y472 HydrophobicContact CG-CE1 4.47Å; L466-Y472 WeakPolarHBondContact O-CE2 3.46Å; L466-Y472 PolarHBondContact O-OH 3.15Å; L466-Y472 VanDerWaalsContact O-OH 3.07Å; T468-Y472 WeakPolarHBondContact O-CD2 3.37Å; T468-Y472 PolarHBondContact O-N 2.74Å; C470-Y472 PolarHBondContact O-N 3.06Å; Y472-E474 PolarHBondContact O-N 3.25Å; Y472-A475 PolarHBondContact O-N 3.09Å; Y472-A476 PolarHBondContact O-N 3.48Å
473K97.3Very high93.7Very high53 Ų5356.4 Ų56.423%0.2328%0.28CS..Hα-helixtrans-63.6-43.7177.6-76.3-175.869.9-1540112.5A317 L318 Y469 C470 D471 A475 A476 Q480A317-K473 HydrophobicContact CB-CB 4.19Å; A317-K473 HydrophobicContact CB-CG 4.07Å; L318-K473 HydrophobicContact CD2-CG 3.91Å; L318-K473 HydrophobicContact CG-CG 4.24Å; Y469-K473 HydrophobicContact CD1-CD 4.05Å; Y469-K473 HydrophobicContact CE1-CD 3.52Å; Y469-K473 HydrophobicContact CE2-CD 4.27Å; Y469-K473 VanDerWaalsContact O-CG 3.3Å; Y469-K473 WeakPolarHBondContact O-CG 3.32Å; Y469-K473 PolarHBondContact O-N 3.47Å; C470-K473 WeakPolarHBondContact O-CB 3.38Å; C470-K473 PolarHBondContact O-N 3.27Å; D471-K473 VanDerWaalsContact C-N 3.31Å; D471-K473 PolarHBondContact O-N 3Å; K473-A475 VanDerWaalsContact C-N 3.3Å; K473-A476 PolarHBondContact O-N 3.2Å; K473-Q480 PolarHBondContact O-NE2 2.68Å
474E95.8Very high94.9Very high84 Ų8452.8 Ų52.839%0.39326%0.261SS..Hα-helixtrans-68.2-30.9-179.7-70.6-175.3167.100111.6C470 D471 Y472 A476 K499C470-E474 WeakPolarHBondContact O-CG 3.17Å; C470-E474 PolarHBondContact O-N 3.09Å; D471-E474 PolarHBondContact O-N 3.13Å; Y472-E474 PolarHBondContact O-N 3.25Å; E474-A476 PolarHBondContact O-N 2.88Å; E474-K499 IonicContact OE1-NZ 2.82Å; E474-K499 PolarHBondContact OE1-NZ 3.08Å
475A96.6Very high96Very high10 Ų1047.7 Ų47.78%0.08324%0.242CC..Hα-helixtrans-67.7-18.2175.700000114.3L466 D471 Y472 K473 L477L466-A475 HydrophobicContact CD1-CB 3.88Å; L466-A475 HydrophobicContact CD2-CB 3.81Å; D471-A475 VanDerWaalsContact O-CB 3.3Å; D471-A475 WeakPolarHBondContact O-CB 3.32Å; D471-A475 PolarHBondContact O-N 2.91Å; Y472-A475 PolarHBondContact O-N 3.09Å; K473-A475 VanDerWaalsContact C-N 3.3Å; A475-L477 PolarHBondContact O-N 3.48Å
476A96.1Very high96.6Very high6 Ų641.2 Ų41.25%0.0520%0.202CC..  trans-77.264.7170.700000110.9A317 H321 Y472 K473 E474 N478 Y479 Q480A317-A476 HydrophobicContact CB-CB 4.24Å; A317-A476 WeakPolarHBondContact O-CB 3.41Å; H321-A476 PolarHBondContact CE1-N 3.16Å; Y472-A476 PolarHBondContact O-N 3.48Å; K473-A476 PolarHBondContact O-N 3.2Å; E474-A476 PolarHBondContact O-N 2.88Å; A476-N478 PolarHBondContact O-N 3.08Å; A476-Y479 WeakPolarHBondContact O-CB 3.37Å; A476-Y479 PolarHBondContact O-N 2.81Å; A476-Q480 PolarHBondContact O-N 3.47Å; A476-Q480 VanDerWaalsContact O-N 3.12Å
477L94.6Very high96.7Very high91 Ų9143.6 Ų43.648%0.47621%0.209SC..Hα-helixtrans-50.3-51.2-168.8-64.7176.4000112.9A475 Y479 Q480 E481A475-L477 PolarHBondContact O-N 3.48Å; L477-Y479 PolarHBondContact O-N 3.42Å; L477-Y479 VanDerWaalsContact O-N 3.17Å; L477-Q480 WeakPolarHBondContact O-CA 3.47Å; L477-Q480 PolarHBondContact O-N 2.79Å; L477-E481 WeakPolarHBondContact O-CG 3.35Å; L477-E481 PolarHBondContact O-N 3.03Å
478N94.8Very high96.8Very high62 Ų6240.3 Ų40.333%0.33220%0.201SC..Hα-helixtrans-57.6-36.7-178.3-155.510.4000112.4P359 D360 F362 A476 A482P359-N478 WeakPolarHBondContact CB-OD1 3.22Å; D360-N478 PolarHBondContact O-ND2 3.46Å; F362-N478 HydrophobicContact CE2-CB 4.46Å; A476-N478 PolarHBondContact O-N 3.08Å; N478-A482 WeakPolarHBondContact O-CB 3.41Å; N478-A482 PolarHBondContact O-N 2.94Å; N478-A482 VanDerWaalsContact O-N 3.16Å
479Y97.9Very high96.8Very high11 Ų1143 Ų434%0.04321%0.212CC..Hα-helixtrans-71.2-38.3174.1-176-87.1000112.6R308 L312 A317 M320 F362 A476 L477 W483R308-Y479 PolarHBondContact NH2-OH 3.07Å; L312-Y479 HydrophobicContact CB-CE2 3.83Å; L312-Y479 HydrophobicContact CD1-CE1 4.31Å; L312-Y479 HydrophobicContact CD1-CE2 4.21Å; A317-Y479 HydrophobicContact CB-CD1 3.57Å; A317-Y479 HydrophobicContact CB-CE1 3.89Å; A317-Y479 HydrophobicContact CB-CG 4.09Å; M320-Y479 HydrophobicContact CB-CD2 4.31Å; M320-Y479 HydrophobicContact CG-CD2 4.35Å; F362-Y479 HydrophobicContact CE1-CD2 4.17Å; F362-Y479 HydrophobicContact CZ-CD2 4.13Å; A476-Y479 WeakPolarHBondContact O-CB 3.37Å; A476-Y479 PolarHBondContact O-N 2.81Å; L477-Y479 PolarHBondContact O-N 3.42Å; L477-Y479 VanDerWaalsContact O-N 3.17Å; Y479-W483 VanDerWaalsContact O-CB 3.32Å; Y479-W483 WeakPolarHBondContact O-CB 3.47Å; Y479-W483 PolarHBondContact O-N 3.42Å
480Q97.6Very high96.7Very high46 Ų4643.1 Ų43.122%0.21522%0.219CC..Hα-helixtrans-69.7-41.7179.5-60.9-52.2-3700111.2K473 A476 L477 W483 E484K473-Q480 PolarHBondContact O-NE2 2.68Å; A476-Q480 PolarHBondContact O-N 3.47Å; A476-Q480 VanDerWaalsContact O-N 3.12Å; L477-Q480 WeakPolarHBondContact O-CA 3.47Å; L477-Q480 PolarHBondContact O-N 2.79Å; Q480-W483 WeakPolarHBondContact O-CB 3.22Å; Q480-W483 PolarHBondContact O-N 3.44Å; Q480-E484 WeakPolarHBondContact O-CG 3.49Å; Q480-E484 PolarHBondContact O-N 3.39Å
481E97.9Very high96.6Very high104 Ų10443 Ų4349%0.48622%0.217SC..Hα-helixtrans-59.1-50.8174.4-71.8168.8-166.300110.9P359 L477 W483 E484 V485P359-E481 HydrophobicContact CG-CB 3.72Å; L477-E481 WeakPolarHBondContact O-CG 3.35Å; L477-E481 PolarHBondContact O-N 3.03Å; E481-W483 PolarHBondContact O-N 3.4Å; E481-E484 PolarHBondContact O-N 2.69Å; E481-E484 VanDerWaalsContact O-N 3.1Å; E481-V485 WeakPolarHBondContact O-CG2 3.35Å; E481-V485 PolarHBondContact O-N 3.36Å
482A98.3Very high96.4Very high0 Ų047.4 Ų47.40%024%0.237CC..Hα-helixtrans-58.7-37.9175.800000112.1L312 L358 P359 F362 N478 L486L312-A482 HydrophobicContact CD2-CB 3.57Å; L358-A482 HydrophobicContact CD2-CB 4.38Å; P359-A482 HydrophobicContact CG-CB 4.06Å; F362-A482 HydrophobicContact CB-CB 4.27Å; F362-A482 HydrophobicContact CD1-CB 3.76Å; F362-A482 HydrophobicContact CD2-CB 3.82Å; F362-A482 HydrophobicContact CE1-CB 3.98Å; F362-A482 HydrophobicContact CE2-CB 4.04Å; F362-A482 HydrophobicContact CG-CB 3.68Å; F362-A482 HydrophobicContact CZ-CB 4.12Å; N478-A482 WeakPolarHBondContact O-CB 3.41Å; N478-A482 PolarHBondContact O-N 2.94Å; N478-A482 VanDerWaalsContact O-N 3.16Å; A482-L486 WeakPolarHBondContact O-CB 3.46Å; A482-L486 PolarHBondContact O-N 3.09Å
483W97.8Very high96.1Very high11 Ų1146.4 Ų46.44%0.04224%0.236CC..Hα-helixtrans-68-38.9176.7174.9-128.6000112.8R308 L312 Y479 Q480 E481 L486 R487 L491 W494R308-W483 HydrophobicContact CG-CE3 4.3Å; R308-W483 HydrophobicContact CG-CZ3 3.84Å; L312-W483 HydrophobicContact CD1-CB 3.79Å; L312-W483 HydrophobicContact CD1-CD2 4.03Å; L312-W483 HydrophobicContact CD1-CE3 3.56Å; L312-W483 HydrophobicContact CD1-CG 4.17Å; L312-W483 HydrophobicContact CD1-CZ3 4.43Å; Y479-W483 VanDerWaalsContact O-CB 3.32Å; Y479-W483 WeakPolarHBondContact O-CB 3.47Å; Y479-W483 PolarHBondContact O-N 3.42Å; Q480-W483 WeakPolarHBondContact O-CB 3.22Å; Q480-W483 PolarHBondContact O-N 3.44Å; E481-W483 PolarHBondContact O-N 3.4Å; W483-L486 HydrophobicContact CE3-CB 4.37Å; W483-L486 HydrophobicContact CE3-CD2 3.85Å; W483-L486 HydrophobicContact CE3-CG 4.18Å; W483-L486 HydrophobicContact CZ3-CD2 3.8Å; W483-L486 HydrophobicContact CZ3-CG 4.08Å; W483-R487 HydrophobicContact CE3-CB 4.48Å; W483-R487 HydrophobicContact CH2-CB 4.43Å; W483-R487 HydrophobicContact CZ2-CB 4.48Å; W483-R487 HydrophobicContact CZ3-CB 4.45Å; W483-R487 WeakPolarHBondContact O-CB 3.48Å; W483-R487 PolarHBondContact O-N 3.36Å; W483-L491 HydrophobicContact CH2-CD1 4.42Å; W483-L491 HydrophobicContact CZ3-CD1 4.02Å; W483-W494 HydrophobicContact CH2-CB 4.21Å; W483-W494 AromaticContact CH2-CD1 3.95Å; W483-W494 AromaticContact CH2-CD2 3.51Å; W483-W494 HydrophobicContact CH2-CD2 3.51Å; W483-W494 AromaticContact CH2-CE2 3.8Å; W483-W494 AromaticContact CH2-CE3 3.94Å; W483-W494 HydrophobicContact CH2-CE3 3.94Å; W483-W494 AromaticContact CH2-CG 3.62Å; W483-W494 HydrophobicContact CH2-CG 3.62Å; W483-W494 HydrophobicContact CH2-CZ2 4.43Å; W483-W494 HydrophobicContact CZ2-CB 4.44Å; W483-W494 AromaticContact CZ2-CD1 3.69Å; W483-W494 HydrophobicContact CZ2-CD2 4.06Å; W483-W494 AromaticContact CZ2-CG 3.8Å; W483-W494 HydrophobicContact CZ2-CG 3.8Å; W483-W494 AromaticContact CZ2-NE1 3.9Å
484E97.3Very high96Very high71 Ų7145.1 Ų45.133%0.33223%0.23SC..Hα-helixtrans-68.9-39.7177.4-72-56.7146.700112.1Q480 E481 R487 S488 K496Q480-E484 WeakPolarHBondContact O-CG 3.49Å; Q480-E484 PolarHBondContact O-N 3.39Å; E481-E484 PolarHBondContact O-N 2.69Å; E481-E484 VanDerWaalsContact O-N 3.1Å; E484-R487 VanDerWaalsContact CD-NH2 3.27Å; E484-R487 PolarHBondContact O-N 3.23Å; E484-R487 IonicContact OE1-CZ 2.76Å; E484-R487 IonicContact OE1-NE 3.61Å; E484-R487 IonicContact OE1-NH2 3.38Å; E484-R487 PolarHBondContact OE1-NH2 3.34Å; E484-R487 VanDerWaalsContact OE1-NH2 3.1Å; E484-R487 IonicContact OE2-CZ 3.38Å; E484-R487 VanDerWaalsContact OE2-CZ 3.26Å; E484-R487 IonicContact OE2-NE 2.67Å; E484-R487 PolarHBondContact OE2-NE 3.3Å; E484-R487 VanDerWaalsContact OE2-NE 3.12Å; E484-R487 IonicContact OE2-NH2 3.49Å; E484-R487 PolarHBondContact OE2-NH2 3.12Å; E484-S488 WeakPolarHBondContact O-CB 3.23Å; E484-S488 PolarHBondContact O-N 3.21Å; E484-S488 PolarHBondContact O-OG 3.49Å; E484-K496 IonicContact OE1-NZ 3.04Å; E484-K496 PolarHBondContact OE1-NZ 3.47Å
485V97.8Very high95.8Very high28 Ų2843.2 Ų43.217%0.1722%0.224CC..Hα-helixtrans-59.5-54.3171.6170.60000111.1I355 S356 L358 E481 R487 S488 Q489I355-V485 HydrophobicContact CG2-CG1 3.81Å; S356-V485 VanDerWaalsContact O-CG1 3.27Å; S356-V485 WeakPolarHBondContact O-CG1 3.48Å; L358-V485 HydrophobicContact CD2-CB 4.29Å; L358-V485 HydrophobicContact CD2-CG1 3.89Å; L358-V485 HydrophobicContact CG-CG1 4.37Å; E481-V485 WeakPolarHBondContact O-CG2 3.35Å; E481-V485 PolarHBondContact O-N 3.36Å; V485-R487 VanDerWaalsContact C-N 3.29Å; V485-R487 PolarHBondContact O-N 2.95Å; V485-S488 PolarHBondContact O-N 3.45Å; V485-S488 PolarHBondContact O-OG 3.28Å; V485-Q489 PolarHBondContact O-N 3.11Å; V485-Q489 VanDerWaalsContact O-N 3.1Å
486L97.5Very high95.5Very high0 Ų047.2 Ų47.20%024%0.239CC..Hα-helixtrans-57-44178.4167.160.7000111.9R308 V311 L312 I355 A482 W483 A490 L491R308-L486 HydrophobicContact CB-CD2 4.4Å; R308-L486 HydrophobicContact CG-CD2 4.07Å; V311-L486 HydrophobicContact CB-CD1 4.39Å; V311-L486 HydrophobicContact CB-CD2 3.97Å; V311-L486 HydrophobicContact CG1-CB 4.41Å; V311-L486 HydrophobicContact CG1-CD1 4.39Å; V311-L486 HydrophobicContact CG1-CD2 4.13Å; V311-L486 HydrophobicContact CG2-CD1 4.17Å; L312-L486 HydrophobicContact CD1-CD2 4.15Å; L312-L486 HydrophobicContact CD2-CD2 4.38Å; L312-L486 HydrophobicContact CG-CD2 3.85Å; I355-L486 HydrophobicContact CD1-CB 4.47Å; I355-L486 HydrophobicContact CD1-CD1 3.22Å; I355-L486 HydrophobicContact CD1-CG 4.41Å; A482-L486 WeakPolarHBondContact O-CB 3.46Å; A482-L486 PolarHBondContact O-N 3.09Å; W483-L486 HydrophobicContact CE3-CB 4.37Å; W483-L486 HydrophobicContact CE3-CD2 3.85Å; W483-L486 HydrophobicContact CE3-CG 4.18Å; W483-L486 HydrophobicContact CZ3-CD2 3.8Å; W483-L486 HydrophobicContact CZ3-CG 4.08Å; L486-A490 HydrophobicContact CD1-CB 4.14Å; L486-A490 PolarHBondContact O-N 3.43Å; L486-L491 HydrophobicContact CD1-CD1 3.83Å; L486-L491 HydrophobicContact CD1-CG 4.02Å; L486-L491 HydrophobicContact CD2-CD1 3.97Å; L486-L491 HydrophobicContact CG-CD1 3.81Å; L486-L491 HydrophobicContact CG-CG 4.3Å; L486-L491 PolarHBondContact O-N 3.14Å
487R95.6Very high95.2Very high72 Ų7249.6 Ų49.627%0.27225%0.251SS..Hα-helixtrans-66.9-45.4-178-175.6175.270.91240.4112W483 E484 V485 Q489 L491 Q492 K496W483-R487 HydrophobicContact CE3-CB 4.48Å; W483-R487 HydrophobicContact CH2-CB 4.43Å; W483-R487 HydrophobicContact CZ2-CB 4.48Å; W483-R487 HydrophobicContact CZ3-CB 4.45Å; W483-R487 WeakPolarHBondContact O-CB 3.48Å; W483-R487 PolarHBondContact O-N 3.36Å; E484-R487 VanDerWaalsContact CD-NH2 3.27Å; E484-R487 PolarHBondContact O-N 3.23Å; E484-R487 IonicContact OE1-CZ 2.76Å; E484-R487 IonicContact OE1-NE 3.61Å; E484-R487 IonicContact OE1-NH2 3.38Å; E484-R487 PolarHBondContact OE1-NH2 3.34Å; E484-R487 VanDerWaalsContact OE1-NH2 3.1Å; E484-R487 IonicContact OE2-CZ 3.38Å; E484-R487 VanDerWaalsContact OE2-CZ 3.26Å; E484-R487 IonicContact OE2-NE 2.67Å; E484-R487 PolarHBondContact OE2-NE 3.3Å; E484-R487 VanDerWaalsContact OE2-NE 3.12Å; E484-R487 IonicContact OE2-NH2 3.49Å; E484-R487 PolarHBondContact OE2-NH2 3.12Å; V485-R487 VanDerWaalsContact C-N 3.29Å; V485-R487 PolarHBondContact O-N 2.95Å; R487-Q489 VanDerWaalsContact C-N 3.33Å; R487-Q489 PolarHBondContact O-N 3.4Å; R487-L491 CarbonylContact O-C 3.6Å; R487-L491 PolarHBondContact O-N 2.89Å; R487-Q492 VanDerWaalsContact O-CA 3.24Å; R487-Q492 WeakPolarHBondContact O-CA 3.22Å; R487-Q492 PolarHBondContact O-N 3.15Å; R487-K496 VanDerWaalsContact CD-CE 3.49Å; R487-K496 VanDerWaalsContact CZ-CE 3.44Å; R487-K496 VanDerWaalsContact NH1-CE 3.29Å
488S95.8Very high95Very high64 Ų6447.9 Ų47.945%0.44825%0.25SC..Hα-helixtrans-67.7-32.4-178.455.80000112.9E484 V485 Q492E484-S488 WeakPolarHBondContact O-CB 3.23Å; E484-S488 PolarHBondContact O-N 3.21Å; E484-S488 PolarHBondContact O-OG 3.49Å; V485-S488 PolarHBondContact O-N 3.45Å; V485-S488 PolarHBondContact O-OG 3.28Å; S488-Q492 VanDerWaalsContact O-CG 3.24Å; S488-Q492 WeakPolarHBondContact O-CG 3.32Å; S488-Q492 PolarHBondContact O-NE2 3.38Å
489Q95.9Very high94.8Very high77 Ų7750.8 Ų50.836%0.3626%0.26SS..Hα-helixtrans-95-35.4-174.8-63.7-177.52700114.2I355 S356 V485 R487I355-Q489 HydrophobicContact CG1-CB 4.49Å; S356-Q489 PolarHBondContact O-NE2 2.79Å; S356-Q489 PolarHBondContact OG-OE1 2.86Å; V485-Q489 PolarHBondContact O-N 3.11Å; V485-Q489 VanDerWaalsContact O-N 3.1Å; R487-Q489 VanDerWaalsContact C-N 3.33Å; R487-Q489 PolarHBondContact O-N 3.4Å
490A95Very high94.5Very high28 Ų2853.9 Ų53.923%0.23128%0.275CS..THydrogen-bonded Turntrans-127.7-24.3-17100000114.8R351 I355 L486R351-A490 VanDerWaalsContact O-CB 3.29Å; R351-A490 WeakPolarHBondContact O-CB 3.41Å; I355-A490 HydrophobicContact CD1-CB 3.93Å; I355-A490 HydrophobicContact CG1-CB 4.02Å; L486-A490 HydrophobicContact CD1-CB 4.14Å; L486-A490 PolarHBondContact O-N 3.43Å
491L94.9Very high94.4Very high0 Ų053.1 Ų53.10%027%0.27CS..  trans-127.144.8-172.3-53.3177.9000112.5L287 R308 W483 L486 R487 G493 W494L287-L491 HydrophobicContact CD1-CB 4.37Å; L287-L491 HydrophobicContact CD2-CD2 3.62Å; R308-L491 HydrophobicContact CB-CD1 4.26Å; W483-L491 HydrophobicContact CH2-CD1 4.42Å; W483-L491 HydrophobicContact CZ3-CD1 4.02Å; L486-L491 HydrophobicContact CD1-CD1 3.83Å; L486-L491 HydrophobicContact CD1-CG 4.02Å; L486-L491 HydrophobicContact CD2-CD1 3.97Å; L486-L491 HydrophobicContact CG-CD1 3.81Å; L486-L491 HydrophobicContact CG-CG 4.3Å; L486-L491 PolarHBondContact O-N 3.14Å; R487-L491 CarbonylContact O-C 3.6Å; R487-L491 PolarHBondContact O-N 2.89Å; L491-G493 PolarHBondContact O-N 3.31Å; L491-W494 HydrophobicContact CB-CB 4.45Å; L491-W494 HydrophobicContact CB-CE3 4.31Å; L491-W494 HydrophobicContact CD1-CE3 3.93Å; L491-W494 HydrophobicContact CD1-CZ3 4.08Å; L491-W494 WeakPolarHBondContact O-CB 3.46Å; L491-W494 PolarHBondContact O-N 3.19Å
492Q91.8Very high94.2Very high144 Ų14449.5 Ų49.567%0.67325%0.254SS*.THydrogen-bonded Turntrans-58.1-46.4-171-67.7176.25.200112.9R487 S488 W494R487-Q492 VanDerWaalsContact O-CA 3.24Å; R487-Q492 WeakPolarHBondContact O-CA 3.22Å; R487-Q492 PolarHBondContact O-N 3.15Å; S488-Q492 VanDerWaalsContact O-CG 3.24Å; S488-Q492 WeakPolarHBondContact O-CG 3.32Å; S488-Q492 PolarHBondContact O-NE2 3.38Å; Q492-W494 PolarHBondContact O-N 3.2Å
493G91.5Very high94.1Very high12 Ų1254.4 Ų54.412%0.12428%0.277CS..THydrogen-bonded Turntrans-72.116.1176.100000115.2V267 E270 L491 V495V267-G493 WeakPolarHBondContact CG1-O 3.27Å; V267-G493 WeakPolarHBondContact CG2-O 3.33Å; E270-G493 WeakPolarHBondContact OE1-CA 3.5Å; L491-G493 PolarHBondContact O-N 3.31Å; G493-V495 PolarHBondContact O-N 2.95Å; G493-V495 VanDerWaalsContact O-N 3.1Å
494W95.4Very high94Very high27 Ų2754.7 Ų54.710%0.10228%0.278CS..  trans-65.2115-178.6-173.2-75.5000112.1M300 D304 K305 R308 W483 L491 Q492 K496M300-W494 HydrophobicContact CB-CH2 3.96Å; M300-W494 HydrophobicContact CB-CZ2 4.01Å; M300-W494 HydrophobicContact CB-CZ3 4.3Å; M300-W494 HydrophobicContact CE-CD2 4.24Å; M300-W494 HydrophobicContact CE-CE3 4.05Å; M300-W494 HydrophobicContact CG-CD2 3.76Å; M300-W494 VanDerWaalsContact CG-CE2 3.48Å; M300-W494 HydrophobicContact CG-CE3 4.05Å; M300-W494 HydrophobicContact CG-CG 4.38Å; M300-W494 HydrophobicContact CG-CH2 3.9Å; M300-W494 HydrophobicContact CG-CZ2 3.57Å; M300-W494 HydrophobicContact CG-CZ3 4.12Å; M300-W494 HydrophobicContact SD-CD2 4.41Å; D304-W494 HydrophobicContact CB-CZ3 3.91Å; D304-W494 WeakPolarHBondContact O-CZ3 3.39Å; K305-W494 HydrophobicContact CG-CH2 3.78Å; K305-W494 HydrophobicContact CG-CZ2 4.33Å; R308-W494 HydrophobicContact CB-CH2 4.15Å; R308-W494 HydrophobicContact CB-CZ3 4.21Å; W483-W494 HydrophobicContact CH2-CB 4.21Å; W483-W494 AromaticContact CH2-CD1 3.95Å; W483-W494 AromaticContact CH2-CD2 3.51Å; W483-W494 HydrophobicContact CH2-CD2 3.51Å; W483-W494 AromaticContact CH2-CE2 3.8Å; W483-W494 AromaticContact CH2-CE3 3.94Å; W483-W494 HydrophobicContact CH2-CE3 3.94Å; W483-W494 AromaticContact CH2-CG 3.62Å; W483-W494 HydrophobicContact CH2-CG 3.62Å; W483-W494 HydrophobicContact CH2-CZ2 4.43Å; W483-W494 HydrophobicContact CZ2-CB 4.44Å; W483-W494 AromaticContact CZ2-CD1 3.69Å; W483-W494 HydrophobicContact CZ2-CD2 4.06Å; W483-W494 AromaticContact CZ2-CG 3.8Å; W483-W494 HydrophobicContact CZ2-CG 3.8Å; W483-W494 AromaticContact CZ2-NE1 3.9Å; L491-W494 HydrophobicContact CB-CB 4.45Å; L491-W494 HydrophobicContact CB-CE3 4.31Å; L491-W494 HydrophobicContact CD1-CE3 3.93Å; L491-W494 HydrophobicContact CD1-CZ3 4.08Å; L491-W494 WeakPolarHBondContact O-CB 3.46Å; L491-W494 PolarHBondContact O-N 3.19Å; Q492-W494 PolarHBondContact O-N 3.2Å; W494-K496 PolarHBondContact O-N 3.47Å
495V92.8Very high93.7Very high43 Ų4356 Ų5626%0.26129%0.291SS..  trans-69.7115.9176.3-176.50000110.3V267 V289 M300 G493V267-V495 HydrophobicContact CG1-CG2 3.79Å; V267-V495 HydrophobicContact CG2-CG2 4.15Å; V289-V495 HydrophobicContact CG1-CG2 4.01Å; M300-V495 HydrophobicContact SD-CB 3.76Å; M300-V495 HydrophobicContact SD-CG2 4.02Å; M300-V495 PolarHBondContact SD-N 2.85Å; M300-V495 VanDerWaalsContact SD-N 3.44Å; G493-V495 PolarHBondContact O-N 2.95Å; G493-V495 VanDerWaalsContact O-N 3.1Å
496K90.2Very high93.5Very high95 Ų9557.5 Ų57.541%0.41330%0.297SS..PPolyproline II helixtrans-94144.2172.6-67.8-175.4179.5-177.20109.7E484 R487 W494E484-K496 IonicContact OE1-NZ 3.04Å; E484-K496 PolarHBondContact OE1-NZ 3.47Å; R487-K496 VanDerWaalsContact CD-CE 3.49Å; R487-K496 VanDerWaalsContact CZ-CE 3.44Å; R487-K496 VanDerWaalsContact NH1-CE 3.29Å; W494-K496 PolarHBondContact O-N 3.47Å
497N88.8Confident93.3Very high56 Ų5660.5 Ų60.530%0.29931%0.313SS..PPolyproline II helixtrans-70.4146.6165.8-64.6-40.8000109.2M76 S298 Y501M76-N497 HydrophobicContact CE-CB 4.21Å; S298-N497 WeakPolarHBondContact CB-OD1 3.34Å; S298-N497 PolarHBondContact OG-OD1 2.85Å; N497-Y501 HydrophobicContact CB-CD2 4.3Å
498A90.1Very high93.2Very high54 Ų5459.8 Ų59.845%0.44632%0.315SS..PPolyproline II helixtrans-54.1143.517200000111E500 Y501A498-E500 HydrophobicContact CB-CG 3.8Å; A498-E500 PolarHBondContact O-N 3.25Å; A498-E500 VanDerWaalsContact O-N 3.15Å; A498-Y501 HydrophobicContact CB-CD2 4.04Å; A498-Y501 HydrophobicContact CB-CE2 4.19Å; A498-Y501 WeakPolarHBondContact O-CD2 3.32Å; A498-Y501 PolarHBondContact O-N 3.2Å; A498-Y501 VanDerWaalsContact O-N 3.09Å
499K90.2Very high93Very high123 Ų12359.6 Ų59.654%0.53531%0.308SS..G310 helixtrans-58.7-31.6-174.5-67.7-161.4175.7-1560112.3E474 Y501 L502 H503E474-K499 IonicContact OE1-NZ 2.82Å; E474-K499 PolarHBondContact OE1-NZ 3.08Å; K499-Y501 PolarHBondContact O-N 3.46Å; K499-L502 WeakPolarHBondContact O-CA 3.28Å; K499-L502 WeakPolarHBondContact O-CB 3.39Å; K499-L502 PolarHBondContact O-N 2.88Å; K499-H503 VanDerWaalsContact CB-CE1 3.45Å; K499-H503 WeakPolarHBondContact CB-CE1 3.41Å; K499-H503 PolarHBondContact O-CE1 3.15Å; K499-H503 PolarHBondContact O-ND1 2.77Å
500E93.4Very high92.9Very high77 Ų7758.5 Ų58.536%0.3630%0.304SS..G310 helixtrans-52-26175.556.6170-13700114.9K78 A498 L502 H503K78-E500 HydrophobicContact CD-CB 4.24Å; K78-E500 HydrophobicContact CD-CG 4.48Å; K78-E500 VanDerWaalsContact CE-CD 3.4Å; K78-E500 WeakPolarHBondContact CE-OE1 3.22Å; K78-E500 WeakPolarHBondContact CE-OE2 3.39Å; K78-E500 IonicContact NZ-OE1 3.37Å; K78-E500 PolarHBondContact NZ-OE1 3.05Å; K78-E500 IonicContact NZ-OE2 2.89Å; K78-E500 PolarHBondContact NZ-OE2 3.49Å; A498-E500 HydrophobicContact CB-CG 3.8Å; A498-E500 PolarHBondContact O-N 3.25Å; A498-E500 VanDerWaalsContact O-N 3.15Å; E500-L502 PolarHBondContact O-N 3.32Å; E500-H503 WeakPolarHBondContact CA-ND1 3.45Å; E500-H503 PolarHBondContact N-ND1 2.92Å
501Y94Very high92.7Very high29 Ų2960.5 Ų60.511%0.11431%0.309CS..G310 helixtrans-78.28.2174.4-65.1-70.7000114.3M76 K78 K438 N497 A498 K499M76-Y501 HydrophobicContact CB-CD1 4.15Å; M76-Y501 HydrophobicContact CB-CE1 3.52Å; M76-Y501 HydrophobicContact CE-CD1 3.87Å; M76-Y501 HydrophobicContact CE-CD2 3.68Å; M76-Y501 HydrophobicContact CE-CE1 3.99Å; M76-Y501 HydrophobicContact CE-CE2 3.78Å; M76-Y501 HydrophobicContact CE-CG 3.71Å; K78-Y501 HydrophobicContact CG-CD1 4.16Å; K78-Y501 HydrophobicContact CG-CE1 4.18Å; K438-Y501 PolarHBondContact NZ-O 3.49Å; N497-Y501 HydrophobicContact CB-CD2 4.3Å; A498-Y501 HydrophobicContact CB-CD2 4.04Å; A498-Y501 HydrophobicContact CB-CE2 4.19Å; A498-Y501 WeakPolarHBondContact O-CD2 3.32Å; A498-Y501 PolarHBondContact O-N 3.2Å; A498-Y501 VanDerWaalsContact O-N 3.09Å; K499-Y501 PolarHBondContact O-N 3.46Å
502L94.6Very high92.6Very high28 Ų2864.9 Ų64.915%0.14733%0.331CS..G310 helixtrans-129-8.4179.9-53175.3000112.6Y469 C470 K499 E500 F504Y469-L502 WeakPolarHBondContact CB-O 3.19Å; Y469-L502 HydrophobicContact CD1-CB 4.16Å; Y469-L502 HydrophobicContact CD1-CD2 3.75Å; Y469-L502 HydrophobicContact CE1-CD2 3.6Å; C470-L502 HydrophobicContact CB-CB 3.9Å; C470-L502 PolarHBondContact N-O 3.23Å; K499-L502 WeakPolarHBondContact O-CA 3.28Å; K499-L502 WeakPolarHBondContact O-CB 3.39Å; K499-L502 PolarHBondContact O-N 2.88Å; E500-L502 PolarHBondContact O-N 3.32Å; L502-F504 VanDerWaalsContact C-N 3.25Å; L502-F504 PolarHBondContact O-N 3.13Å; L502-F504 VanDerWaalsContact O-N 3.14Å
503H94.9Very high92.6Very high104 Ų10458.8 Ų58.848%0.48131%0.305SS..  trans-88.649.8-178.3-66.399000112.4K499 E500K499-H503 VanDerWaalsContact CB-CE1 3.45Å; K499-H503 WeakPolarHBondContact CB-CE1 3.41Å; K499-H503 PolarHBondContact O-CE1 3.15Å; K499-H503 PolarHBondContact O-ND1 2.77Å; E500-H503 WeakPolarHBondContact CA-ND1 3.45Å; E500-H503 PolarHBondContact N-ND1 2.92Å
504F95.8Very high92.7Very high16 Ų1662.7 Ų62.77%0.0732%0.32CS..  trans-117.215517261.5-91.9000109.3K78 K438 V439 F442 T468 Y469 L502K78-F504 VanDerWaalsContact O-CD1 3.23Å; K78-F504 WeakPolarHBondContact O-CD1 3.32Å; K438-F504 HydrophobicContact CB-CE1 4.27Å; K438-F504 HydrophobicContact CB-CE2 4.47Å; K438-F504 HydrophobicContact CB-CZ 3.6Å; K438-F504 HydrophobicContact CD-CE1 4.13Å; K438-F504 HydrophobicContact CD-CZ 4.22Å; V439-F504 HydrophobicContact CB-CD2 4.19Å; V439-F504 HydrophobicContact CB-CE2 3.92Å; V439-F504 HydrophobicContact CG2-CD2 4.12Å; V439-F504 HydrophobicContact CG2-CE2 4.22Å; F442-F504 HydrophobicContact CB-CE2 4.48Å; F442-F504 HydrophobicContact CD1-CD2 4.47Å; F442-F504 HydrophobicContact CD1-CE2 4.1Å; T468-F504 WeakPolarHBondContact CA-O 3.41Å; Y469-F504 WeakPolarHBondContact CB-O 3.37Å; Y469-F504 AromaticContact CD1-CE1 3.82Å; Y469-F504 HydrophobicContact CD1-CE1 3.82Å; Y469-F504 HydrophobicContact CD1-CE2 4.37Å; Y469-F504 AromaticContact CD1-CZ 3.5Å; Y469-F504 HydrophobicContact CD1-CZ 3.5Å; Y469-F504 VanDerWaalsContact CD1-CZ 3.5Å; Y469-F504 HydrophobicContact CD2-CE2 4.29Å; Y469-F504 HydrophobicContact CD2-CZ 4.08Å; Y469-F504 HydrophobicContact CE1-CZ 4.14Å; Y469-F504 HydrophobicContact CG-CE1 4.12Å; Y469-F504 AromaticContact CG-CE2 3.87Å; Y469-F504 HydrophobicContact CG-CE2 3.87Å; Y469-F504 AromaticContact CG-CZ 3.46Å; Y469-F504 HydrophobicContact CG-CZ 3.46Å; Y469-F504 VanDerWaalsContact CG-CZ 3.46Å; Y469-F504 PolarHBondContact N-O 3.46Å; L502-F504 VanDerWaalsContact C-N 3.25Å; L502-F504 PolarHBondContact O-N 3.13Å; L502-F504 VanDerWaalsContact O-N 3.14Å
505T92.4Very high92.5Very high100 Ų10065.9 Ų65.961%0.61334%0.34SS*.  trans-970-177.956.70000112.8F442 Q446F442-T505 WeakPolarHBondContact CD1-OXT 3.44Å; F442-T505 WeakPolarHBondContact CE1-OXT 3.44Å; Q446-T505 PolarHBondContact NE2-OXT 3.42Å; Q446-T505 PolarHBondContact OE1-OXT 3.44Å

Retrieved 505 of 505 residues in 152.2 ms (Link to these results)

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