A0A5K4FAW2_SCHMA Loading...

Scavenger receptor class B member 1

AlphaFold DB , UniProt , Accession A0A5K4FAW2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 474 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
1M83.2Confident90.5Very high182 Ų18289.8 Ų89.890%0.89743%0.432SS*.  0-58.70-165.6174.87700112I3 R4 I5M1-I3 PolarHBondContact O-N 3.46Å; M1-R4 WeakPolarHBondContact O-CB 3.29Å; M1-R4 PolarHBondContact O-N 3.46Å; M1-I5 HydrophobicContact CE-CD1 4.49Å; M1-I5 HydrophobicContact CG-CD1 3.97Å; M1-I5 PolarHBondContact O-N 2.94Å
2I87.3Confident90.9Very high98 Ų9890 Ų9050%0.50344%0.435SS..Hα-helixtrans-53.1-46.9-176.8-63.9163.9000113.4R4 I5 L6 I450I2-R4 VanDerWaalsContact C-N 3.29Å; I2-R4 PolarHBondContact O-N 3.32Å; I2-I5 PolarHBondContact O-N 3.11Å; I2-I5 VanDerWaalsContact O-N 3.11Å; I2-L6 HydrophobicContact CG2-CD1 3.99Å; I2-L6 HydrophobicContact CG2-CG 4.28Å; I2-L6 WeakPolarHBondContact O-CG 3.36Å; I2-L6 PolarHBondContact O-N 3.32Å; I2-I450 HydrophobicContact CG2-CD1 3.86Å
3I88.2Confident91.1Very high52 Ų5283.6 Ų83.627%0.26741%0.405SS..Hα-helixtrans-54.1-44.6176.9-70.1176.1000111.9M1 I5 L6 I7 L447 I450 L451 L454M1-I3 PolarHBondContact O-N 3.46Å; I3-I5 PolarHBondContact O-N 3.03Å; I3-L6 PolarHBondContact O-N 3.07Å; I3-I7 HydrophobicContact CG2-CD1 3.78Å; I3-I7 VanDerWaalsContact O-CG1 3.28Å; I3-I7 WeakPolarHBondContact O-CG1 3.49Å; I3-I7 PolarHBondContact O-N 3.11Å; I3-L447 HydrophobicContact CB-CD1 4.31Å; I3-L447 HydrophobicContact CG1-CD1 4.26Å; I3-L447 HydrophobicContact CG2-CD1 3.89Å; I3-I450 HydrophobicContact CD1-CG2 3.96Å; I3-I450 HydrophobicContact CG1-CG2 3.92Å; I3-L451 HydrophobicContact CD1-CD2 4.24Å; I3-L454 HydrophobicContact CD1-CD1 3.81Å
4R89.5Confident91.3Very high202 Ų20286.1 Ų86.176%0.76241%0.413SS*.Hα-helixtrans-64.8-41.9179.7-67.2-174.7179.9179.5-1.1111.1M1 I2 I7 T8M1-R4 WeakPolarHBondContact O-CB 3.29Å; M1-R4 PolarHBondContact O-N 3.46Å; I2-R4 VanDerWaalsContact C-N 3.29Å; I2-R4 PolarHBondContact O-N 3.32Å; R4-I7 PolarHBondContact O-N 3.49Å; R4-T8 WeakPolarHBondContact O-CG2 3.19Å; R4-T8 PolarHBondContact O-N 3.4Å; R4-T8 PolarHBondContact O-OG1 2.68Å
5I91.9Very high91.5Very high72 Ų7287.1 Ų87.137%0.36942%0.421SS..Hα-helixtrans-61.9-46.9178-65.2171.4000110.8M1 I2 I3 I7 T8 F9M1-I5 HydrophobicContact CE-CD1 4.49Å; M1-I5 HydrophobicContact CG-CD1 3.97Å; M1-I5 PolarHBondContact O-N 2.94Å; I2-I5 PolarHBondContact O-N 3.11Å; I2-I5 VanDerWaalsContact O-N 3.11Å; I3-I5 PolarHBondContact O-N 3.03Å; I5-I7 PolarHBondContact O-N 3.41Å; I5-T8 VanDerWaalsContact C-OG1 3.31Å; I5-T8 VanDerWaalsContact CA-OG1 3.31Å; I5-T8 WeakPolarHBondContact CA-OG1 3.13Å; I5-T8 PolarHBondContact O-N 3.25Å; I5-T8 PolarHBondContact O-OG1 2.92Å; I5-F9 HydrophobicContact CG2-CD2 3.69Å; I5-F9 HydrophobicContact CG2-CE2 3.49Å; I5-F9 VanDerWaalsContact CG2-CE2 3.49Å; I5-F9 VanDerWaalsContact O-CD2 3.25Å; I5-F9 WeakPolarHBondContact O-CD2 3.4Å; I5-F9 PolarHBondContact O-N 3.25Å
6L90.6Very high91.7Very high6 Ų687.4 Ų87.43%0.03142%0.424CS..Hα-helixtrans-61.2-45.3178.2-66.4174.4000111.7I2 I3 T8 F9 I10 N443 W446 L447 I450I2-L6 HydrophobicContact CG2-CD1 3.99Å; I2-L6 HydrophobicContact CG2-CG 4.28Å; I2-L6 WeakPolarHBondContact O-CG 3.36Å; I2-L6 PolarHBondContact O-N 3.32Å; I3-L6 PolarHBondContact O-N 3.07Å; L6-T8 VanDerWaalsContact C-N 3.33Å; L6-T8 PolarHBondContact O-N 3.02Å; L6-F9 PolarHBondContact O-N 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.46Å; L6-I10 PolarHBondContact O-N 3.43Å; L6-N443 HydrophobicContact CD2-CB 4.38Å; L6-N443 WeakPolarHBondContact CD2-OD1 3.33Å; L6-W446 HydrophobicContact CD1-CB 4.42Å; L6-W446 HydrophobicContact CD1-CD2 4.21Å; L6-W446 HydrophobicContact CD1-CG 4.14Å; L6-W446 HydrophobicContact CD2-CD2 4.03Å; L6-W446 HydrophobicContact CD2-CE3 3.55Å; L6-W446 HydrophobicContact CD2-CZ3 4.01Å; L6-L447 HydrophobicContact CB-CD1 4.37Å; L6-L447 HydrophobicContact CD1-CB 4.37Å; L6-L447 HydrophobicContact CD1-CD1 4.38Å; L6-I450 HydrophobicContact CD1-CD1 3.61Å
7I91.2Very high91.7Very high69 Ų6984.4 Ų84.435%0.35441%0.41SS..Hα-helixtrans-60.7-43.3176.4-68.1168.3000110.7I3 R4 I5 F9 I10 I11 L447I3-I7 HydrophobicContact CG2-CD1 3.78Å; I3-I7 VanDerWaalsContact O-CG1 3.28Å; I3-I7 WeakPolarHBondContact O-CG1 3.49Å; I3-I7 PolarHBondContact O-N 3.11Å; R4-I7 PolarHBondContact O-N 3.49Å; I5-I7 PolarHBondContact O-N 3.41Å; I7-F9 PolarHBondContact O-N 3.09Å; I7-I10 PolarHBondContact O-N 3.33Å; I7-I11 HydrophobicContact CG2-CD1 3.67Å; I7-I11 HydrophobicContact CG2-CG1 4.33Å; I7-I11 WeakPolarHBondContact O-CG1 3.32Å; I7-I11 PolarHBondContact O-N 3.04Å; I7-L447 HydrophobicContact CG1-CD1 4.24Å; I7-L447 HydrophobicContact CG1-CD2 3.86Å
8T93.1Very high91.8Very high71 Ų7183.7 Ų83.744%0.43642%0.415SS..Hα-helixtrans-62.3-41177.448.80000112.6R4 I5 L6 I10 I11 I12R4-T8 WeakPolarHBondContact O-CG2 3.19Å; R4-T8 PolarHBondContact O-N 3.4Å; R4-T8 PolarHBondContact O-OG1 2.68Å; I5-T8 VanDerWaalsContact C-OG1 3.31Å; I5-T8 VanDerWaalsContact CA-OG1 3.31Å; I5-T8 WeakPolarHBondContact CA-OG1 3.13Å; I5-T8 PolarHBondContact O-N 3.25Å; I5-T8 PolarHBondContact O-OG1 2.92Å; L6-T8 VanDerWaalsContact C-N 3.33Å; L6-T8 PolarHBondContact O-N 3.02Å; T8-I10 PolarHBondContact O-N 3.49Å; T8-I11 PolarHBondContact O-N 3.13Å; T8-I12 WeakPolarHBondContact O-CB 3.27Å; T8-I12 VanDerWaalsContact O-CG1 3.25Å; T8-I12 WeakPolarHBondContact O-CG1 3.3Å; T8-I12 PolarHBondContact O-N 3.25Å
9F92.7Very high91.9Very high108 Ų10881.3 Ų81.347%0.47441%0.41SS..Hα-helixtrans-64.5-39.7176.4-83.6-65.8000112.6I5 L6 I7 S13I5-F9 HydrophobicContact CG2-CD2 3.69Å; I5-F9 HydrophobicContact CG2-CE2 3.49Å; I5-F9 VanDerWaalsContact CG2-CE2 3.49Å; I5-F9 VanDerWaalsContact O-CD2 3.25Å; I5-F9 WeakPolarHBondContact O-CD2 3.4Å; I5-F9 PolarHBondContact O-N 3.25Å; L6-F9 PolarHBondContact O-N 3.26Å; I7-F9 PolarHBondContact O-N 3.09Å; F9-S13 VanDerWaalsContact O-CB 3.26Å; F9-S13 WeakPolarHBondContact O-CB 3.38Å; F9-S13 PolarHBondContact O-N 3.42Å; F9-S13 PolarHBondContact O-OG 3.47Å
10I93.6Very high91.7Very high37 Ų3778.7 Ų78.719%0.1940%0.396CS..Hα-helixtrans-62.1-49.2175.7-67.9165.8000110.1L6 I7 T8 I12 S13 F14 I440 N443 L447L6-I10 WeakPolarHBondContact O-CG1 3.46Å; L6-I10 PolarHBondContact O-N 3.43Å; I7-I10 PolarHBondContact O-N 3.33Å; T8-I10 PolarHBondContact O-N 3.49Å; I10-I12 PolarHBondContact O-N 3.43Å; I10-S13 PolarHBondContact O-N 3.48Å; I10-F14 VanDerWaalsContact O-CB 3.3Å; I10-F14 WeakPolarHBondContact O-CB 3.34Å; I10-F14 PolarHBondContact O-N 2.96Å; I10-I440 HydrophobicContact CG2-CG2 4.39Å; I10-N443 HydrophobicContact CD1-CB 3.97Å; I10-N443 HydrophobicContact CG1-CB 3.61Å; I10-L447 HydrophobicContact CD1-CD2 4.29Å
11I94.4Very high91.4Very high91 Ų9181.9 Ų81.947%0.46741%0.41SS..Hα-helixtrans-61.4-47.8-179.3-67.5169.2000110.7I7 T8 S13 F14 I15I7-I11 HydrophobicContact CG2-CD1 3.67Å; I7-I11 HydrophobicContact CG2-CG1 4.33Å; I7-I11 WeakPolarHBondContact O-CG1 3.32Å; I7-I11 PolarHBondContact O-N 3.04Å; T8-I11 PolarHBondContact O-N 3.13Å; I11-S13 PolarHBondContact O-N 2.96Å; I11-F14 PolarHBondContact O-N 3.45Å; I11-I15 HydrophobicContact CG2-CD1 3.77Å; I11-I15 HydrophobicContact CG2-CG1 4.46Å; I11-I15 VanDerWaalsContact O-CG1 3.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 2.85Å
12I94.7Very high91.8Very high92 Ų9276.8 Ų76.847%0.47239%0.39SS..Hα-helixtrans-62.3-46179.5-68.3166.7000110.8T8 I10 F14 I15 L16T8-I12 WeakPolarHBondContact O-CB 3.27Å; T8-I12 VanDerWaalsContact O-CG1 3.25Å; T8-I12 WeakPolarHBondContact O-CG1 3.3Å; T8-I12 PolarHBondContact O-N 3.25Å; I10-I12 PolarHBondContact O-N 3.43Å; I12-F14 VanDerWaalsContact C-N 3.3Å; I12-F14 PolarHBondContact O-N 3.36Å; I12-I15 PolarHBondContact O-N 2.97Å; I12-L16 HydrophobicContact CG2-CD1 3.99Å; I12-L16 HydrophobicContact CG2-CG 4.45Å; I12-L16 WeakPolarHBondContact O-CG 3.49Å; I12-L16 PolarHBondContact O-N 3.48Å
13S93.7Very high91.8Very high7 Ų774.8 Ų74.85%0.04939%0.385CS..Hα-helixtrans-64.4-37.3179.9-55.80000111.7F9 I10 I11 L16 L17 I439F9-S13 VanDerWaalsContact O-CB 3.26Å; F9-S13 WeakPolarHBondContact O-CB 3.38Å; F9-S13 PolarHBondContact O-N 3.42Å; F9-S13 PolarHBondContact O-OG 3.47Å; I10-S13 PolarHBondContact O-N 3.48Å; I11-S13 PolarHBondContact O-N 2.96Å; S13-L16 PolarHBondContact O-N 3.47Å; S13-L17 WeakPolarHBondContact O-CB 3.38Å; S13-L17 PolarHBondContact O-N 2.88Å; S13-I439 WeakPolarHBondContact OG-CG2 3.07Å
14F94.3Very high91.7Very high118 Ų11874.3 Ų74.352%0.51838%0.383SS..Hα-helixtrans-66-44.1174.6-176-100.1000111.8I10 I11 I12 L16 L17 C18 I440I10-F14 VanDerWaalsContact O-CB 3.3Å; I10-F14 WeakPolarHBondContact O-CB 3.34Å; I10-F14 PolarHBondContact O-N 2.96Å; I11-F14 PolarHBondContact O-N 3.45Å; I12-F14 VanDerWaalsContact C-N 3.3Å; I12-F14 PolarHBondContact O-N 3.36Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 3.08Å; F14-L17 WeakPolarHBondContact O-CB 3.31Å; F14-L17 PolarHBondContact O-N 3.23Å; F14-C18 PolarHBondContact O-N 3.43Å; F14-C18 PolarHBondContact O-SG 2.97Å; F14-C18 VanDerWaalsContact O-SG 3.38Å; F14-I440 HydrophobicContact CB-CD1 4.29Å
15I94.7Very high91.5Very high102 Ų10268.9 Ų68.952%0.52336%0.362SS..Hα-helixtrans-59.8-45.6174.6-68.6165.7000110.5I11 I12 L17 C18 A19I11-I15 HydrophobicContact CG2-CD1 3.77Å; I11-I15 HydrophobicContact CG2-CG1 4.46Å; I11-I15 VanDerWaalsContact O-CG1 3.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 2.85Å; I12-I15 PolarHBondContact O-N 2.97Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 2.86Å; I15-C18 PolarHBondContact O-N 3.18Å; I15-A19 VanDerWaalsContact O-CB 3.27Å; I15-A19 WeakPolarHBondContact O-CB 3.42Å; I15-A19 PolarHBondContact O-N 2.88Å
16L93.8Very high91.2Very high91 Ų9171.6 Ų71.648%0.47637%0.371SS..Hα-helixtrans-61.1-41.2176.6-73.6169.6000111.9I12 S13 F14 A19 L20 L436I12-L16 HydrophobicContact CG2-CD1 3.99Å; I12-L16 HydrophobicContact CG2-CG 4.45Å; I12-L16 WeakPolarHBondContact O-CG 3.49Å; I12-L16 PolarHBondContact O-N 3.48Å; S13-L16 PolarHBondContact O-N 3.47Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 3.08Å; L16-A19 PolarHBondContact O-N 3.18Å; L16-L20 PolarHBondContact O-N 2.93Å; L16-L436 HydrophobicContact CB-CD1 4.03Å; L16-L436 HydrophobicContact CB-CD2 4.01Å; L16-L436 HydrophobicContact CD1-CD2 4.15Å
17L93Very high90.9Very high36 Ų3676 Ų7619%0.18839%0.394CS..Hα-helixtrans-62.3-45.4176.9-176.669.4000111.2S13 F14 I15 A19 L20 Q433 L436 M437 I440S13-L17 WeakPolarHBondContact O-CB 3.38Å; S13-L17 PolarHBondContact O-N 2.88Å; F14-L17 WeakPolarHBondContact O-CB 3.31Å; F14-L17 PolarHBondContact O-N 3.23Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 2.86Å; L17-A19 VanDerWaalsContact C-N 3.32Å; L17-A19 PolarHBondContact O-N 3.32Å; L17-L20 WeakPolarHBondContact O-CB 3.46Å; L17-L20 PolarHBondContact O-N 3.39Å; L17-Q433 HydrophobicContact CD1-CB 4.46Å; L17-Q433 HydrophobicContact CD1-CG 3.7Å; L17-L436 HydrophobicContact CB-CD1 4.28Å; L17-L436 HydrophobicContact CD1-CB 4.27Å; L17-L436 HydrophobicContact CD1-CD1 4.41Å; L17-M437 HydrophobicContact CD1-CG 4.43Å; L17-M437 HydrophobicContact CD2-CG 4.35Å; L17-M437 HydrophobicContact CD2-SD 3.45Å; L17-M437 WeakPolarHBondContact CD2-SD 3.3Å; L17-I440 HydrophobicContact CD2-CD1 4.19Å
18C92.7Very high90.5Very high73 Ų7373.7 Ų73.749%0.49338%0.382SS..Hα-helixtrans-65.4-34.7175.1-68.20000112.5F14 I15 P22F14-C18 PolarHBondContact O-N 3.43Å; F14-C18 PolarHBondContact O-SG 2.97Å; F14-C18 VanDerWaalsContact O-SG 3.38Å; I15-C18 PolarHBondContact O-N 3.18Å; C18-P22 VanDerWaalsContact O-CD 3.23Å; C18-P22 WeakPolarHBondContact O-CD 3.34Å
19A93Very high90Very high38 Ų3872.2 Ų72.231%0.31437%0.371SS..Hα-helixtrans-79.4-17.6-179.900000113.5I15 L16 L17 H21 P22 S23I15-A19 VanDerWaalsContact O-CB 3.27Å; I15-A19 WeakPolarHBondContact O-CB 3.42Å; I15-A19 PolarHBondContact O-N 2.88Å; L16-A19 PolarHBondContact O-N 3.18Å; L17-A19 VanDerWaalsContact C-N 3.32Å; L17-A19 PolarHBondContact O-N 3.32Å; A19-H21 PolarHBondContact O-N 3.28Å; A19-P22 WeakPolarHBondContact O-CD 3.39Å; A19-S23 VanDerWaalsContact O-CB 3.24Å; A19-S23 WeakPolarHBondContact O-CB 3.05Å; A19-S23 PolarHBondContact O-N 2.96Å; A19-S23 PolarHBondContact O-OG 3.22Å
20L89.2Confident89.3Confident28 Ų2873.7 Ų73.715%0.14738%0.377CS..Hα-helixtrans-58.6-53.3-174.3-176.265.8000112.1L16 L17 S23 I24 I432 Q433L16-L20 PolarHBondContact O-N 2.93Å; L17-L20 WeakPolarHBondContact O-CB 3.46Å; L17-L20 PolarHBondContact O-N 3.39Å; L20-S23 PolarHBondContact O-N 3.47Å; L20-I24 HydrophobicContact CD1-CD1 4.1Å; L20-I24 HydrophobicContact CG-CD1 3.88Å; L20-I24 WeakPolarHBondContact O-CG1 3.29Å; L20-I24 PolarHBondContact O-N 2.95Å; L20-I432 HydrophobicContact CD1-CB 4.32Å; L20-I432 HydrophobicContact CD1-CD1 4.42Å; L20-I432 HydrophobicContact CD1-CG2 3.74Å; L20-I432 HydrophobicContact CD2-CB 4.38Å; L20-I432 HydrophobicContact CD2-CG2 4.08Å; L20-Q433 HydrophobicContact CD2-CB 4.09Å
21H85.8Confident88.6Confident146 Ų14677 Ų7768%0.67639%0.391SS*.Hα-helixtrans-65.5-47.2-177.1-171.7-75.1000112.7A19 S23 I24 W25A19-H21 PolarHBondContact O-N 3.28Å; H21-S23 VanDerWaalsContact C-N 3.27Å; H21-S23 PolarHBondContact O-N 2.93Å; H21-I24 PolarHBondContact O-N 3.44Å; H21-W25 WeakPolarHBondContact O-CB 3.31Å; H21-W25 PolarHBondContact O-N 3.45Å
22P90.4Very high87.8Confident75 Ų7574 Ų7449%0.48738%0.376SS..Hα-helixtrans-57-37170.7-25.833.9000113.9C18 A19 W25 F26C18-P22 VanDerWaalsContact O-CD 3.23Å; C18-P22 WeakPolarHBondContact O-CD 3.34Å; A19-P22 WeakPolarHBondContact O-CD 3.39Å; P22-W25 WeakPolarHBondContact O-CB 3.04Å; P22-W25 PolarHBondContact O-N 3.08Å; P22-F26 WeakPolarHBondContact O-CB 3.38Å; P22-F26 PolarHBondContact O-N 2.94Å
23S88.1Confident86.9Confident56 Ų5669.9 Ų69.939%0.39236%0.356SS..Hα-helixtrans-69-44179.4-58.70000111.8A19 L20 H21 W25 F26 I27A19-S23 VanDerWaalsContact O-CB 3.24Å; A19-S23 WeakPolarHBondContact O-CB 3.05Å; A19-S23 PolarHBondContact O-N 2.96Å; A19-S23 PolarHBondContact O-OG 3.22Å; L20-S23 PolarHBondContact O-N 3.47Å; H21-S23 VanDerWaalsContact C-N 3.27Å; H21-S23 PolarHBondContact O-N 2.93Å; S23-W25 VanDerWaalsContact C-N 3.32Å; S23-W25 PolarHBondContact O-N 3.36Å; S23-F26 PolarHBondContact O-N 3.05Å; S23-I27 VanDerWaalsContact O-CG1 3.26Å; S23-I27 WeakPolarHBondContact O-CG1 3.38Å; S23-I27 PolarHBondContact O-N 2.83Å
24I85.4Confident86.1Confident42 Ų4269.6 Ų69.622%0.21535%0.354CS..Hα-helixtrans-60-46.9174.3-68.2162.1000109.7L20 H21 F26 I27 L28 P429L20-I24 HydrophobicContact CD1-CD1 4.1Å; L20-I24 HydrophobicContact CG-CD1 3.88Å; L20-I24 WeakPolarHBondContact O-CG1 3.29Å; L20-I24 PolarHBondContact O-N 2.95Å; H21-I24 PolarHBondContact O-N 3.44Å; I24-F26 VanDerWaalsContact C-N 3.31Å; I24-F26 PolarHBondContact O-N 3.4Å; I24-I27 PolarHBondContact O-N 2.99Å; I24-L28 HydrophobicContact CG2-CD1 3.69Å; I24-L28 HydrophobicContact CG2-CG 4.16Å; I24-L28 WeakPolarHBondContact O-CB 3.34Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.48Å; I24-L28 PolarHBondContact O-N 3.1Å; I24-P429 HydrophobicContact CD1-CB 3.56Å; I24-P429 HydrophobicContact CD1-CG 3.57Å; I24-P429 HydrophobicContact CG1-CG 4.4Å
25W85.3Confident85.2Confident89 Ų8970.1 Ų70.134%0.33736%0.356SS..Hα-helixtrans-55.2-47.3176.3-175.594.5000111.6H21 P22 S23 L28 H29 Y215 F252H21-W25 WeakPolarHBondContact O-CB 3.31Å; H21-W25 PolarHBondContact O-N 3.45Å; P22-W25 WeakPolarHBondContact O-CB 3.04Å; P22-W25 PolarHBondContact O-N 3.08Å; S23-W25 VanDerWaalsContact C-N 3.32Å; S23-W25 PolarHBondContact O-N 3.36Å; W25-L28 PolarHBondContact O-N 3.41Å; W25-H29 HydrophobicContact CZ3-CB 4.46Å; W25-H29 VanDerWaalsContact O-CB 3.3Å; W25-H29 WeakPolarHBondContact O-CB 3.08Å; W25-H29 PolarHBondContact O-N 2.97Å; W25-Y215 HydrophobicContact CZ2-CD1 4.5Å; W25-Y215 HydrophobicContact CZ2-CE1 4.04Å; W25-F252 HydrophobicContact CB-CZ 4.35Å; W25-F252 AromaticContact CD1-CD1 3.88Å; W25-F252 AromaticContact CD1-CD2 3.93Å; W25-F252 AromaticContact CD1-CE1 3.32Å; W25-F252 AromaticContact CD1-CE2 3.4Å; W25-F252 AromaticContact CD1-CZ 3.06Å; W25-F252 HydrophobicContact CD2-CE2 4.29Å; W25-F252 HydrophobicContact CD2-CZ 4.28Å; W25-F252 AromaticContact CE2-CE2 3.61Å; W25-F252 HydrophobicContact CG-CE1 4.2Å; W25-F252 HydrophobicContact CG-CE2 4.14Å; W25-F252 AromaticContact CG-CZ 3.7Å; W25-F252 HydrophobicContact CG-CZ 3.7Å; W25-F252 HydrophobicContact CZ2-CE2 4.22Å; W25-F252 AromaticContact NE1-CD2 3.33Å; W25-F252 VanDerWaalsContact NE1-CD2 3.33Å; W25-F252 AromaticContact NE1-CE1 3.79Å; W25-F252 AromaticContact NE1-CE2 3.01Å; W25-F252 AromaticContact NE1-CG 3.86Å; W25-F252 AromaticContact NE1-CZ 3.28Å; W25-F252 VanDerWaalsContact NE1-CZ 3.28Å
26F85.3Confident84.3Confident128 Ų12868.5 Ų68.556%0.56135%0.348SS*.Hα-helixtrans-64-43.2179.3-177.8-97.4000112.8P22 S23 I24 K30P22-F26 WeakPolarHBondContact O-CB 3.38Å; P22-F26 PolarHBondContact O-N 2.94Å; S23-F26 PolarHBondContact O-N 3.05Å; I24-F26 VanDerWaalsContact C-N 3.31Å; I24-F26 PolarHBondContact O-N 3.4Å; F26-K30 WeakPolarHBondContact O-CB 3.43Å; F26-K30 PolarHBondContact O-N 3.28Å
27I84.9Confident83.4Confident100 Ų10070.7 Ų70.751%0.51336%0.36SS..Hα-helixtrans-63.9-48.7177.8-68.3164.5000110.2S23 I24 H29 K30 E31S23-I27 VanDerWaalsContact O-CG1 3.26Å; S23-I27 WeakPolarHBondContact O-CG1 3.38Å; S23-I27 PolarHBondContact O-N 2.83Å; I24-I27 PolarHBondContact O-N 2.99Å; I27-H29 VanDerWaalsContact C-N 3.34Å; I27-H29 PolarHBondContact O-N 3.2Å; I27-K30 PolarHBondContact O-N 3.28Å; I27-E31 HydrophobicContact CG2-CG 4.36Å; I27-E31 WeakPolarHBondContact O-CG 3.39Å; I27-E31 PolarHBondContact O-N 3.46Å
28L83.4Confident82.7Confident19 Ų1969.7 Ų69.710%0.09936%0.356CS..Hα-helixtrans-60.5-45.4178.9-71.3175.1000111.4I24 W25 K30 E31 L32 F252 I368 L425I24-L28 HydrophobicContact CG2-CD1 3.69Å; I24-L28 HydrophobicContact CG2-CG 4.16Å; I24-L28 WeakPolarHBondContact O-CB 3.34Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.48Å; I24-L28 PolarHBondContact O-N 3.1Å; W25-L28 PolarHBondContact O-N 3.41Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.31Å; L28-E31 PolarHBondContact O-N 3.01Å; L28-L32 HydrophobicContact CB-CD1 4.32Å; L28-L32 HydrophobicContact CD2-CD1 4.03Å; L28-L32 VanDerWaalsContact O-CB 3.24Å; L28-L32 WeakPolarHBondContact O-CB 3.34Å; L28-L32 WeakPolarHBondContact O-CG 3.37Å; L28-L32 PolarHBondContact O-N 3.21Å; L28-F252 HydrophobicContact CB-CZ 4.37Å; L28-F252 HydrophobicContact CD1-CE1 4.5Å; L28-I368 HydrophobicContact CD1-CG2 3.54Å; L28-L425 HydrophobicContact CD1-CD2 3.95Å; L28-L425 HydrophobicContact CD2-CD2 3.69Å; L28-L425 HydrophobicContact CG-CD2 4.49Å
29H81.3Confident81.9Confident41 Ų4172.3 Ų72.319%0.1936%0.361CS..Hα-helixtrans-59.1-42.5177-175.548.7000111.8W25 I27 C33 L251W25-H29 HydrophobicContact CZ3-CB 4.46Å; W25-H29 VanDerWaalsContact O-CB 3.3Å; W25-H29 WeakPolarHBondContact O-CB 3.08Å; W25-H29 PolarHBondContact O-N 2.97Å; I27-H29 VanDerWaalsContact C-N 3.34Å; I27-H29 PolarHBondContact O-N 3.2Å; H29-C33 PolarHBondContact O-N 2.99Å; H29-C33 PolarHBondContact O-SG 3.17Å; H29-L251 HydrophobicContact CB-CD1 4.35Å
30K78.5Confident81.2Confident138 Ų13871.6 Ų71.660%0.635%0.352SS*.Hα-helixtrans-68.1-41.6179.7-174.1-178.4174-171.30113.4F26 I27 L28F26-K30 WeakPolarHBondContact O-CB 3.43Å; F26-K30 PolarHBondContact O-N 3.28Å; I27-K30 PolarHBondContact O-N 3.28Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.31Å
31E78.4Confident80.9Confident107 Ų10770.7 Ų70.750%0.535%0.347SS..Hα-helixtrans-81.4-31.7-175-68.1-59.1145.300113.3I27 L28I27-E31 HydrophobicContact CG2-CG 4.36Å; I27-E31 WeakPolarHBondContact O-CG 3.39Å; I27-E31 PolarHBondContact O-N 3.46Å; L28-E31 PolarHBondContact O-N 3.01Å
32L79.2Confident80.9Confident27 Ų2768 Ų6814%0.14133%0.334CS..SBendtrans-97.411.7-175.8-59.8171.8000113.6L28 L40 Q218 L251 T369L28-L32 HydrophobicContact CB-CD1 4.32Å; L28-L32 HydrophobicContact CD2-CD1 4.03Å; L28-L32 VanDerWaalsContact O-CB 3.24Å; L28-L32 WeakPolarHBondContact O-CB 3.34Å; L28-L32 WeakPolarHBondContact O-CG 3.37Å; L28-L32 PolarHBondContact O-N 3.21Å; L32-L40 HydrophobicContact CB-CD2 4.47Å; L32-L40 WeakPolarHBondContact O-CD2 3.2Å; L32-Q218 PolarHBondContact O-NE2 2.96Å; L32-Q218 VanDerWaalsContact O-NE2 3.08Å; L32-Q218 PolarHBondContact O-OE1 3.04Å; L32-L251 HydrophobicContact CB-CD1 4.15Å; L32-L251 HydrophobicContact CB-CD2 3.64Å; L32-L251 HydrophobicContact CB-CG 4.41Å; L32-L251 HydrophobicContact CD1-CD2 3.47Å; L32-L251 VanDerWaalsContact CD1-CD2 3.47Å; L32-L251 HydrophobicContact CG-CD2 4.21Å; L32-T369 HydrophobicContact CD1-CG2 3.54Å
33C74.4Confident80.6Confident7 Ų767.2 Ų67.25%0.04733%0.326CS..SBendtrans-75.9147.1164.5-82.90000111.1H29 K35 S38 L212H29-C33 PolarHBondContact O-N 2.99Å; H29-C33 PolarHBondContact O-SG 3.17Å; C33-K35 PolarHBondContact O-N 2.65Å; C33-S38 PolarHBondContact O-OG 2.93Å; C33-L212 HydrophobicContact CB-CD2 3.67Å
34L76.5Confident80.5Confident1 Ų165.1 Ų65.11%0.00531%0.31CS..  trans-74.459.6171.6-76.3167.6000111.4L40 Y41 W44 I100 M208 Q218 I248L34-L40 HydrophobicContact CD2-CD2 4.35Å; L34-L40 HydrophobicContact CD2-CG 4.29Å; L34-L40 HydrophobicContact CG-CD2 4.42Å; L34-Y41 HydrophobicContact CD2-CD2 4.33Å; L34-W44 HydrophobicContact CD2-CB 3.98Å; L34-W44 HydrophobicContact CD2-CD2 4.21Å; L34-W44 HydrophobicContact CD2-CE3 4.46Å; L34-W44 HydrophobicContact CD2-CG 3.99Å; L34-I100 HydrophobicContact CB-CD1 4.29Å; L34-M208 HydrophobicContact CD1-CE 3.9Å; L34-Q218 HydrophobicContact CD1-CG 4.15Å; L34-I248 HydrophobicContact CD1-CD1 3.94Å; L34-I248 HydrophobicContact CD2-CD1 3.78Å; L34-I248 HydrophobicContact CG-CD1 4.23Å
35K76.9Confident80.6Confident129 Ų12964.7 Ų64.756%0.56131%0.307SS*.  trans-91.2141176.6-170.9178176.5179.80110.1C33 N37 S38 Y41 L212C33-K35 PolarHBondContact O-N 2.65Å; K35-N37 PolarHBondContact O-N 3.25Å; K35-S38 WeakPolarHBondContact O-CB 3.46Å; K35-S38 PolarHBondContact O-N 3.08Å; K35-S38 PolarHBondContact O-OG 2.86Å; K35-Y41 WeakPolarHBondContact O-CB 3.36Å; K35-L212 HydrophobicContact CB-CD2 4.31Å
36N74.2Confident80.8Confident68 Ų6866.7 Ų66.736%0.36432%0.319SS..THydrogen-bonded Turntrans-54.4130.6172.6-151.11.2000109.8Y41N36-Y41 VanDerWaalsContact OD1-CE1 3.29Å; N36-Y41 WeakPolarHBondContact OD1-CE1 3.25Å
37N76.4Confident80.7Confident137 Ų13763 Ų6373%0.73331%0.307SS*.THydrogen-bonded Turntrans76.43-171.4-49.4-31.9000118K35K35-N37 PolarHBondContact O-N 3.25Å
38S78.3Confident80.5Confident14 Ų1462 Ų6210%0.09831%0.309CS..  trans-75.7153.8170.879.50000111.6C33 K35 L40 Y41 Q42C33-S38 PolarHBondContact O-OG 2.93Å; K35-S38 WeakPolarHBondContact O-CB 3.46Å; K35-S38 PolarHBondContact O-N 3.08Å; K35-S38 PolarHBondContact O-OG 2.86Å; S38-L40 VanDerWaalsContact C-N 3.26Å; S38-L40 PolarHBondContact O-N 3.39Å; S38-Y41 WeakPolarHBondContact O-CB 3.33Å; S38-Y41 PolarHBondContact O-N 2.96Å; S38-Y41 WeakPolarHBondContact OG-CB 3.46Å; S38-Y41 PolarHBondContact OG-N 3.15Å; S38-Y41 VanDerWaalsContact OG-N 3.08Å; S38-Q42 PolarHBondContact O-N 2.86Å; S38-Q42 VanDerWaalsContact O-N 3.08Å
39Q76.1Confident80.5Confident129 Ų12963 Ų6360%0.60331%0.314SS*.Hα-helixtrans-60.7-39.1175.6-17664.334.600111.3Y41 Q42 N43Q39-Y41 VanDerWaalsContact C-N 3.32Å; Q39-Y41 PolarHBondContact O-N 3.38Å; Q39-Q42 PolarHBondContact O-N 3.43Å; Q39-N43 PolarHBondContact NE2-OD1 3.08Å; Q39-N43 PolarHBondContact O-N 2.93Å
40L78Confident80.8Confident22 Ų2264 Ų6412%0.11533%0.325CS..Hα-helixtrans-61.2-43.6175.8-178.867.5000111L32 L34 S38 Q42 N43 W44 L371L32-L40 HydrophobicContact CB-CD2 4.47Å; L32-L40 WeakPolarHBondContact O-CD2 3.2Å; L34-L40 HydrophobicContact CD2-CD2 4.35Å; L34-L40 HydrophobicContact CD2-CG 4.29Å; L34-L40 HydrophobicContact CG-CD2 4.42Å; S38-L40 VanDerWaalsContact C-N 3.26Å; S38-L40 PolarHBondContact O-N 3.39Å; L40-Q42 PolarHBondContact O-N 3.01Å; L40-N43 PolarHBondContact O-N 3.42Å; L40-W44 WeakPolarHBondContact O-CB 3.25Å; L40-W44 PolarHBondContact O-N 3.29Å; L40-L371 HydrophobicContact CD1-CD2 4.12Å
41Y83.2Confident81.5Confident10 Ų1058.1 Ų58.14%0.03930%0.3CS..Hα-helixtrans-61.1-44.9178.2-176-105.3000111.5L34 K35 N36 S38 Q39 N43 W44 L45 H93L34-Y41 HydrophobicContact CD2-CD2 4.33Å; K35-Y41 WeakPolarHBondContact O-CB 3.36Å; N36-Y41 VanDerWaalsContact OD1-CE1 3.29Å; N36-Y41 WeakPolarHBondContact OD1-CE1 3.25Å; S38-Y41 WeakPolarHBondContact O-CB 3.33Å; S38-Y41 PolarHBondContact O-N 2.96Å; S38-Y41 WeakPolarHBondContact OG-CB 3.46Å; S38-Y41 PolarHBondContact OG-N 3.15Å; S38-Y41 VanDerWaalsContact OG-N 3.08Å; Q39-Y41 VanDerWaalsContact C-N 3.32Å; Q39-Y41 PolarHBondContact O-N 3.38Å; Y41-N43 PolarHBondContact O-N 2.83Å; Y41-W44 AromaticContact CD2-CE3 3.94Å; Y41-W44 HydrophobicContact CD2-CE3 3.94Å; Y41-W44 HydrophobicContact CD2-CZ3 4.26Å; Y41-W44 AromaticContact CE2-CE3 3.78Å; Y41-W44 HydrophobicContact CE2-CE3 3.78Å; Y41-W44 AromaticContact CE2-CZ3 3.64Å; Y41-W44 HydrophobicContact CE2-CZ3 3.64Å; Y41-W44 PolarHBondContact O-N 3.44Å; Y41-L45 HydrophobicContact CD1-CD1 3.81Å; Y41-L45 HydrophobicContact CD1-CG 4.16Å; Y41-L45 HydrophobicContact CE1-CD1 3.43Å; Y41-L45 VanDerWaalsContact CE1-CD1 3.43Å; Y41-L45 HydrophobicContact CE1-CD2 4.19Å; Y41-L45 HydrophobicContact CE1-CG 3.87Å; Y41-L45 HydrophobicContact CE2-CD2 4.37Å; Y41-L45 HydrophobicContact CE2-CG 4.47Å; Y41-L45 VanDerWaalsContact O-CG 3.26Å; Y41-L45 WeakPolarHBondContact O-CG 3.41Å; Y41-L45 PolarHBondContact O-N 3.28Å; Y41-H93 AromaticContact CE2-CE1 3.54Å; Y41-H93 AromaticContact CE2-NE2 3.84Å; Y41-H93 AromaticContact CZ-CE1 3.66Å; Y41-H93 AromaticContact CZ-NE2 3.47Å; Y41-H93 PolarHBondContact OH-CE1 3.2Å; Y41-H93 PolarHBondContact OH-NE2 3.09Å
42Q85.2Confident82.3Confident88 Ų8854.7 Ų54.741%0.41128%0.284SS..Hα-helixtrans-62.5-42.9176.6-65-60.8-20.200112.5S38 Q39 L40 W44 L45 K46S38-Q42 PolarHBondContact O-N 2.86Å; S38-Q42 VanDerWaalsContact O-N 3.08Å; Q39-Q42 PolarHBondContact O-N 3.43Å; L40-Q42 PolarHBondContact O-N 3.01Å; Q42-W44 VanDerWaalsContact C-N 3.31Å; Q42-W44 PolarHBondContact O-N 3.44Å; Q42-L45 PolarHBondContact O-N 3.42Å; Q42-K46 PolarHBondContact O-N 2.9Å
43N83.1Confident83.2Confident60 Ų6053.8 Ų53.832%0.32128%0.279SS..Hα-helixtrans-66.6-33.6175.8-71.7-7.9000112Q39 L40 Y41 K46 P47Q39-N43 PolarHBondContact NE2-OD1 3.08Å; Q39-N43 PolarHBondContact O-N 2.93Å; L40-N43 PolarHBondContact O-N 3.42Å; Y41-N43 PolarHBondContact O-N 2.83Å; N43-K46 CarbonylContact O-C 3.59Å; N43-K46 VanDerWaalsContact O-C 3.23Å; N43-P47 WeakPolarHBondContact O-CA 3.47Å; N43-P47 WeakPolarHBondContact O-CD 3.4Å; N43-P47 WeakPolarHBondContact O-CG 3.42Å
44W86.1Confident84.3Confident12 Ų1255 Ų555%0.04528%0.284CS..Hα-helixtrans-70.5-40.8175.3171.974.4000112.1L34 L40 Y41 Q42 K88 I91 I100 Y102 M208 I248L34-W44 HydrophobicContact CD2-CB 3.98Å; L34-W44 HydrophobicContact CD2-CD2 4.21Å; L34-W44 HydrophobicContact CD2-CE3 4.46Å; L34-W44 HydrophobicContact CD2-CG 3.99Å; L40-W44 WeakPolarHBondContact O-CB 3.25Å; L40-W44 PolarHBondContact O-N 3.29Å; Y41-W44 AromaticContact CD2-CE3 3.94Å; Y41-W44 HydrophobicContact CD2-CE3 3.94Å; Y41-W44 HydrophobicContact CD2-CZ3 4.26Å; Y41-W44 AromaticContact CE2-CE3 3.78Å; Y41-W44 HydrophobicContact CE2-CE3 3.78Å; Y41-W44 AromaticContact CE2-CZ3 3.64Å; Y41-W44 HydrophobicContact CE2-CZ3 3.64Å; Y41-W44 PolarHBondContact O-N 3.44Å; Q42-W44 VanDerWaalsContact C-N 3.31Å; Q42-W44 PolarHBondContact O-N 3.44Å; W44-K88 HydrophobicContact CD2-CG 4.35Å; W44-K88 HydrophobicContact CH2-CB 4.27Å; W44-K88 HydrophobicContact CH2-CG 4.14Å; W44-K88 HydrophobicContact CZ2-CD 4.35Å; W44-K88 HydrophobicContact CZ2-CG 3.91Å; W44-K88 HydrophobicContact CZ3-CB 4.5Å; W44-K88 HydrophobicContact CZ3-CG 4.44Å; W44-K88 WeakPolarHBondContact O-CG 3.48Å; W44-I91 HydrophobicContact CZ3-CD1 4.22Å; W44-I100 HydrophobicContact CH2-CG2 3.89Å; W44-I100 HydrophobicContact CZ3-CG2 4.42Å; W44-Y102 AromaticContact CH2-CD1 3.81Å; W44-Y102 HydrophobicContact CH2-CD1 3.81Å; W44-Y102 HydrophobicContact CH2-CE1 4.29Å; W44-Y102 AromaticContact CH2-CG 3.95Å; W44-Y102 HydrophobicContact CH2-CG 3.95Å; W44-Y102 AromaticContact CZ2-CD1 3.63Å; W44-Y102 HydrophobicContact CZ2-CD1 3.63Å; W44-Y102 HydrophobicContact CZ2-CD2 4.24Å; W44-Y102 AromaticContact CZ2-CE1 3.64Å; W44-Y102 HydrophobicContact CZ2-CE1 3.64Å; W44-Y102 HydrophobicContact CZ2-CE2 4.26Å; W44-Y102 AromaticContact CZ2-CG 3.92Å; W44-Y102 HydrophobicContact CZ2-CG 3.92Å; W44-Y102 AromaticContact CZ2-CZ 3.94Å; W44-M208 HydrophobicContact CD2-CE 4.41Å; W44-M208 HydrophobicContact CH2-CE 3.73Å; W44-M208 HydrophobicContact CZ2-CE 3.2Å; W44-M208 HydrophobicContact CZ2-SD 4.23Å; W44-M208 HydrophobicContact CZ3-CE 4.5Å; W44-I248 HydrophobicContact CB-CD1 4Å; W44-I248 HydrophobicContact CG-CD1 3.75Å
45L87.9Confident85.4Confident32 Ų3255.3 Ų55.317%0.16829%0.286CS..Hα-helixtrans-59.5-47.5175.4-75-178.8000112.2Y41 Q42 Y87 K88 I91Y41-L45 HydrophobicContact CD1-CD1 3.81Å; Y41-L45 HydrophobicContact CD1-CG 4.16Å; Y41-L45 HydrophobicContact CE1-CD1 3.43Å; Y41-L45 VanDerWaalsContact CE1-CD1 3.43Å; Y41-L45 HydrophobicContact CE1-CD2 4.19Å; Y41-L45 HydrophobicContact CE1-CG 3.87Å; Y41-L45 HydrophobicContact CE2-CD2 4.37Å; Y41-L45 HydrophobicContact CE2-CG 4.47Å; Y41-L45 VanDerWaalsContact O-CG 3.26Å; Y41-L45 WeakPolarHBondContact O-CG 3.41Å; Y41-L45 PolarHBondContact O-N 3.28Å; Q42-L45 PolarHBondContact O-N 3.42Å; L45-Y87 WeakPolarHBondContact O-CA 3.31Å; L45-K88 HydrophobicContact CD2-CB 4.37Å; L45-K88 PolarHBondContact O-N 2.88Å; L45-I91 HydrophobicContact CD2-CD1 2.93Å; L45-I91 HydrophobicContact CD2-CG1 4.43Å; L45-I91 HydrophobicContact CG-CD1 4.42Å
46K88.7Confident86.4Confident132 Ų13250.7 Ų50.757%0.57427%0.265SS*.SBendtrans-14190.7-177.7-178.2175.8172.4177.90108.2Q42 N43 S48 Y87Q42-K46 PolarHBondContact O-N 2.9Å; N43-K46 CarbonylContact O-C 3.59Å; N43-K46 VanDerWaalsContact O-C 3.23Å; K46-S48 PolarHBondContact O-N 3.25Å; K46-Y87 HydrophobicContact CB-CD1 4.42Å; K46-Y87 HydrophobicContact CD-CD1 4.19Å; K46-Y87 HydrophobicContact CD-CE1 3.86Å; K46-Y87 HydrophobicContact CG-CD1 3.93Å; K46-Y87 HydrophobicContact CG-CE1 3.83Å
47P84.6Confident87.5Confident50 Ų5047.5 Ų47.533%0.32525%0.248SC..  trans-52.5123.6176.9-2936.7000111.2N43 L49 R86N43-P47 WeakPolarHBondContact O-CA 3.47Å; N43-P47 WeakPolarHBondContact O-CD 3.4Å; N43-P47 WeakPolarHBondContact O-CG 3.42Å; P47-L49 VanDerWaalsContact C-N 3.27Å; P47-R86 WeakPolarHBondContact CD-O 3.38Å; P47-R86 HydrophobicContact CG-CB 4.45Å
48S80.7Confident88.6Confident79 Ų7941.1 Ų41.155%0.55221%0.214SC*.  trans-80.7-13.5174.560.40000112.5K46K46-S48 PolarHBondContact O-N 3.25Å
49L83Confident89.5Confident39 Ų3941.8 Ų41.820%0.20422%0.216CC..SBendtrans-80.2137.5-178.4-63.1173.8000110.3P47 I51 V411 L413 I417P47-L49 VanDerWaalsContact C-N 3.27Å; L49-I51 PolarHBondContact O-N 2.98Å; L49-V411 HydrophobicContact CB-CG2 4Å; L49-V411 HydrophobicContact CD1-CG2 4.09Å; L49-L413 HydrophobicContact CD1-CD1 3.51Å; L49-L413 HydrophobicContact CD1-CG 4.25Å; L49-L413 HydrophobicContact CD2-CD1 4.29Å; L49-L413 HydrophobicContact CD2-CG 4.13Å; L49-I417 HydrophobicContact CD2-CD1 4.16Å
50P87.1Confident90.6Very high64 Ų6435.9 Ų35.942%0.41619%0.188SC..PPolyproline II helixtrans-67.8120.3173.328.7-31.9000109
51I93.3Very high91.5Very high14 Ų1438.2 Ų38.27%0.07220%0.204CC..EExtended strand (participates in β ladder)trans-99.6130.3168-56172.2000106L49 E84 R86 E409 T410 V411L49-I51 PolarHBondContact O-N 2.98Å; I51-E84 HydrophobicContact CB-CB 4.19Å; I51-E84 HydrophobicContact CG2-CB 4.04Å; I51-E84 PolarHBondContact O-N 2.87Å; I51-R86 HydrophobicContact CD1-CG 4Å; I51-E409 HydrophobicContact CG2-CG 3.99Å; I51-T410 WeakPolarHBondContact CA-O 3.37Å; I51-V411 HydrophobicContact CG1-CB 4.44Å; I51-V411 HydrophobicContact CG1-CG2 4.35Å
52M96.1Very high92.2Very high34 Ų3438.4 Ų38.417%0.16721%0.205CC..EExtended strand (participates in β ladder)trans-122.6134.2177-63.8177.3-66.800108.9T81 F82 L114 E409 T410 Y412M52-T81 HydrophobicContact CB-CG2 4.38Å; M52-F82 WeakPolarHBondContact CA-O 3.33Å; M52-L114 HydrophobicContact SD-CD1 3.65Å; M52-E409 CarbonylContact O-C 3.54Å; M52-E409 WeakPolarHBondContact O-CA 3.5Å; M52-T410 PolarHBondContact N-O 3.27Å; M52-T410 PolarHBondContact O-N 2.89Å; M52-T410 PolarHBondContact O-OG1 3.17Å; M52-Y412 HydrophobicContact CE-CD2 4.26Å; M52-Y412 HydrophobicContact CE-CE2 4.33Å
53I97.1Very high92.7Very high9 Ų936.1 Ų36.15%0.04620%0.198CC..EExtended strand (participates in β ladder)trans-111.3127.1169.1-170.4164.6000109.2F55 F82 Y108 F407I53-F55 HydrophobicContact CB-CE2 4.48Å; I53-F55 HydrophobicContact CD1-CE1 4.07Å; I53-F55 HydrophobicContact CD1-CE2 4.22Å; I53-F55 HydrophobicContact CD1-CZ 3.55Å; I53-F55 HydrophobicContact CG1-CE1 4.32Å; I53-F55 HydrophobicContact CG1-CE2 3.97Å; I53-F55 HydrophobicContact CG1-CZ 3.76Å; I53-F55 HydrophobicContact CG2-CE2 3.82Å; I53-F55 HydrophobicContact CG2-CZ 4.19Å; I53-F82 HydrophobicContact CG2-CB 3.83Å; I53-F82 PolarHBondContact N-O 3.37Å; I53-F82 PolarHBondContact O-N 3.17Å; I53-Y108 HydrophobicContact CG2-CD1 3.79Å; I53-Y108 HydrophobicContact CG2-CE1 3.86Å; I53-F407 HydrophobicContact CD1-CB 4.4Å; I53-F407 HydrophobicContact CD1-CD2 4.2Å; I53-F407 HydrophobicContact CG1-CB 4.3Å
54Q98.3Very high93.3Very high33 Ų3341 Ų4115%0.15421%0.213CC..EExtended strand (participates in β ladder)trans-114124.8-179.1-59.1-178.7-54.400109.3Y56 P79 T81 F407 N408Q54-Y56 HydrophobicContact CB-CE2 3.79Å; Q54-Y56 PolarHBondContact OE1-OH 3.2Å; Q54-P79 HydrophobicContact CB-CB 3.84Å; Q54-P79 HydrophobicContact CG-CB 4.18Å; Q54-T81 HydrophobicContact CG-CG2 4.1Å; Q54-F407 CarbonylContact O-C 3.51Å; Q54-F407 WeakPolarHBondContact O-CA 3.27Å; Q54-N408 HydrophobicContact CB-CB 4.34Å; Q54-N408 PolarHBondContact N-O 2.94Å; Q54-N408 PolarHBondContact O-N 3.32Å; Q54-N408 PolarHBondContact OE1-ND2 3.35Å; Q54-N408 VanDerWaalsContact OE1-ND2 3.07Å
55F98.5Very high93.8Very high7 Ų745.1 Ų45.13%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-101.2137.8176.4-62-83.3000111.5I53 F57 P79 Y80 F82 L169 L195 V405 F407I53-F55 HydrophobicContact CB-CE2 4.48Å; I53-F55 HydrophobicContact CD1-CE1 4.07Å; I53-F55 HydrophobicContact CD1-CE2 4.22Å; I53-F55 HydrophobicContact CD1-CZ 3.55Å; I53-F55 HydrophobicContact CG1-CE1 4.32Å; I53-F55 HydrophobicContact CG1-CE2 3.97Å; I53-F55 HydrophobicContact CG1-CZ 3.76Å; I53-F55 HydrophobicContact CG2-CE2 3.82Å; I53-F55 HydrophobicContact CG2-CZ 4.19Å; F55-F57 HydrophobicContact CB-CD2 4.17Å; F55-F57 HydrophobicContact CB-CE2 3.69Å; F55-F57 HydrophobicContact CG-CE2 4.4Å; F55-P79 CarbonylContact O-C 3.2Å; F55-P79 WeakPolarHBondContact O-CA 3.45Å; F55-Y80 PolarHBondContact N-O 3.17Å; F55-Y80 PolarHBondContact O-N 2.94Å; F55-F82 AromaticContact CD2-CD2 3.81Å; F55-F82 HydrophobicContact CD2-CD2 3.81Å; F55-F82 AromaticContact CD2-CE2 3.94Å; F55-F82 HydrophobicContact CD2-CE2 3.94Å; F55-F82 AromaticContact CE2-CD2 3.83Å; F55-F82 HydrophobicContact CE2-CD2 3.83Å; F55-F82 HydrophobicContact CE2-CE2 4.2Å; F55-L169 HydrophobicContact CD1-CD2 3.78Å; F55-L169 HydrophobicContact CD2-CD1 4.02Å; F55-L169 HydrophobicContact CD2-CD2 4.01Å; F55-L169 HydrophobicContact CE1-CD2 3.76Å; F55-L169 HydrophobicContact CE2-CD1 4.22Å; F55-L169 HydrophobicContact CE2-CD2 3.98Å; F55-L169 HydrophobicContact CG-CD1 4.49Å; F55-L169 HydrophobicContact CG-CD2 3.91Å; F55-L169 HydrophobicContact CZ-CD2 3.87Å; F55-L195 HydrophobicContact CZ-CD1 3.78Å; F55-V405 HydrophobicContact CB-CG2 4.15Å; F55-V405 HydrophobicContact CD1-CG2 4.05Å; F55-F407 HydrophobicContact CD1-CB 3.81Å; F55-F407 HydrophobicContact CE1-CB 3.88Å
56Y98.3Very high94.1Very high32 Ų3243.7 Ų43.713%0.12523%0.225CC..EExtended strand (participates in β ladder)trans-127.1102176.8-61.8-96.3000108.5Q54 Q76 L77 P79 V405 Y406 N408Q54-Y56 HydrophobicContact CB-CE2 3.79Å; Q54-Y56 PolarHBondContact OE1-OH 3.2Å; Y56-Q76 HydrophobicContact CD1-CG 4.31Å; Y56-L77 CarbonylContact C-O 3.59Å; Y56-L77 WeakPolarHBondContact CA-O 3.45Å; Y56-P79 HydrophobicContact CE1-CB 3.87Å; Y56-P79 HydrophobicContact CE1-CG 4.37Å; Y56-P79 HydrophobicContact CE2-CB 4.22Å; Y56-V405 VanDerWaalsContact O-CA 3.31Å; Y56-V405 WeakPolarHBondContact O-CA 3.11Å; Y56-V405 WeakPolarHBondContact O-CG2 3.26Å; Y56-Y406 VanDerWaalsContact CB-CZ 3.44Å; Y56-Y406 HydrophobicContact CD1-CE1 4.24Å; Y56-Y406 AromaticContact CD1-CZ 3.83Å; Y56-Y406 VanDerWaalsContact CD1-OH 3.29Å; Y56-Y406 WeakPolarHBondContact CD1-OH 2.89Å; Y56-Y406 AromaticContact CD2-CD2 3.9Å; Y56-Y406 HydrophobicContact CD2-CD2 3.9Å; Y56-Y406 AromaticContact CD2-CE1 3.98Å; Y56-Y406 HydrophobicContact CD2-CE1 3.98Å; Y56-Y406 AromaticContact CD2-CE2 3.23Å; Y56-Y406 HydrophobicContact CD2-CE2 3.23Å; Y56-Y406 HydrophobicContact CD2-CG 4.49Å; Y56-Y406 AromaticContact CD2-CZ 3.27Å; Y56-Y406 WeakPolarHBondContact CD2-OH 3.39Å; Y56-Y406 WeakPolarHBondContact CE1-OH 3.31Å; Y56-Y406 AromaticContact CE2-CE2 3.68Å; Y56-Y406 HydrophobicContact CE2-CE2 3.68Å; Y56-Y406 AromaticContact CE2-CZ 3.86Å; Y56-Y406 HydrophobicContact CG-CD1 4.3Å; Y56-Y406 HydrophobicContact CG-CD2 4.45Å; Y56-Y406 AromaticContact CG-CE1 3.58Å; Y56-Y406 HydrophobicContact CG-CE1 3.58Å; Y56-Y406 AromaticContact CG-CE2 3.75Å; Y56-Y406 HydrophobicContact CG-CE2 3.75Å; Y56-Y406 AromaticContact CG-CZ 3.24Å; Y56-Y406 VanDerWaalsContact CG-OH 3.22Å; Y56-Y406 PolarHBondContact N-O 3.28Å; Y56-Y406 PolarHBondContact O-N 3.13Å; Y56-N408 HydrophobicContact CE2-CB 4.18Å
57F98.4Very high94.3Very high0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-85.1147.5-177.7-75.9-93.7000111.1F55 Q76 L77 Y80 I123 I165 L168 L169 L194 V405F55-F57 HydrophobicContact CB-CD2 4.17Å; F55-F57 HydrophobicContact CB-CE2 3.69Å; F55-F57 HydrophobicContact CG-CE2 4.4Å; F57-Q76 CarbonylContact O-C 3.56Å; F57-Q76 WeakPolarHBondContact O-CA 3.45Å; F57-L77 PolarHBondContact N-O 3.28Å; F57-L77 PolarHBondContact O-N 2.72Å; F57-Y80 HydrophobicContact CD2-CD2 4.09Å; F57-Y80 HydrophobicContact CD2-CE2 4.34Å; F57-I123 HydrophobicContact CB-CD1 3.78Å; F57-I123 HydrophobicContact CB-CG1 4.03Å; F57-I123 HydrophobicContact CB-CG2 4.49Å; F57-I123 HydrophobicContact CD1-CG1 4.47Å; F57-I123 HydrophobicContact CG-CD1 4.48Å; F57-I123 HydrophobicContact CG-CG1 4.26Å; F57-I165 HydrophobicContact CB-CD1 4.3Å; F57-I165 HydrophobicContact CD1-CD1 4.43Å; F57-I165 HydrophobicContact CD2-CD1 3.31Å; F57-I165 HydrophobicContact CE2-CD1 3.6Å; F57-I165 HydrophobicContact CE2-CG2 3.97Å; F57-I165 HydrophobicContact CG-CD1 3.76Å; F57-I165 HydrophobicContact CZ-CD1 4.28Å; F57-L168 HydrophobicContact CD1-CD1 3.95Å; F57-L168 HydrophobicContact CE1-CB 3.83Å; F57-L168 HydrophobicContact CE1-CD1 3.76Å; F57-L168 HydrophobicContact CE1-CG 4.42Å; F57-L168 HydrophobicContact CZ-CB 4.15Å; F57-L169 HydrophobicContact CE2-CD2 4.32Å; F57-L169 HydrophobicContact CE2-CG 4.42Å; F57-L169 HydrophobicContact CZ-CD2 3.84Å; F57-L169 HydrophobicContact CZ-CG 4.01Å; F57-L194 HydrophobicContact CE1-CD1 3.8Å; F57-L194 HydrophobicContact CZ-CD1 3.93Å; F57-V405 HydrophobicContact CD1-CB 3.91Å; F57-V405 HydrophobicContact CD1-CG2 4.06Å; F57-V405 HydrophobicContact CD2-CG2 4.05Å; F57-V405 HydrophobicContact CE1-CB 3.98Å; F57-V405 HydrophobicContact CE1-CG2 4.03Å; F57-V405 HydrophobicContact CE2-CG2 4.03Å; F57-V405 HydrophobicContact CG-CB 4.32Å; F57-V405 HydrophobicContact CG-CG2 4.09Å; F57-V405 HydrophobicContact CZ-CB 4.45Å; F57-V405 HydrophobicContact CZ-CG2 4.02Å
58F98.2Very high94.6Very high4 Ų440.8 Ų40.82%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-99.7110.7173.7-66.5-81.2000109.8L74 Q76 H337 Q380 P403 L404 Y406F58-L74 HydrophobicContact CB-CB 4.27Å; F58-L74 HydrophobicContact CB-CD1 3.94Å; F58-L74 HydrophobicContact CB-CD2 4.41Å; F58-L74 HydrophobicContact CB-CG 4.43Å; F58-L74 HydrophobicContact CD1-CB 4.13Å; F58-L74 HydrophobicContact CD1-CD1 4.18Å; F58-L74 HydrophobicContact CG-CD1 4.19Å; F58-Q76 HydrophobicContact CD1-CB 4.47Å; F58-Q76 HydrophobicContact CE1-CB 4.36Å; F58-H337 AromaticContact CE1-CE1 3.7Å; F58-H337 AromaticContact CE1-NE2 3.94Å; F58-H337 AromaticContact CZ-NE2 3.87Å; F58-Q380 HydrophobicContact CE2-CG 4.41Å; F58-P403 HydrophobicContact CB-CB 4.37Å; F58-P403 HydrophobicContact CD1-CB 4.45Å; F58-P403 HydrophobicContact CD2-CB 3.4Å; F58-P403 VanDerWaalsContact CD2-CB 3.4Å; F58-P403 HydrophobicContact CE2-CB 3.66Å; F58-P403 HydrophobicContact CG-CB 3.83Å; F58-P403 HydrophobicContact CZ-CB 4.29Å; F58-L404 PolarHBondContact N-O 3.5Å; F58-Y406 AromaticContact CE2-CD1 3.92Å; F58-Y406 HydrophobicContact CE2-CD1 3.92Å; F58-Y406 AromaticContact CZ-CD1 3.83Å; F58-Y406 HydrophobicContact CZ-CD1 3.83Å; F58-Y406 HydrophobicContact CZ-CE1 4.36Å
59N98.1Very high95.2Very high27 Ų2738.9 Ų38.914%0.14421%0.205CC..EExtended strand (participates in β ladder)trans-89.3127.1177.2-177.959000110.6T61 L74 K75 L77 T124N59-T61 PolarHBondContact O-N 3.4Å; N59-L74 CarbonylContact O-C 3.59Å; N59-L74 WeakPolarHBondContact O-CA 3.36Å; N59-K75 WeakPolarHBondContact CB-O 3.26Å; N59-K75 PolarHBondContact N-O 3.48Å; N59-K75 PolarHBondContact O-N 2.93Å; N59-L77 HydrophobicContact CB-CD1 3.69Å; N59-L77 HydrophobicContact CB-CG 4.18Å; N59-T124 WeakPolarHBondContact OD1-CA 3.24Å; N59-T124 VanDerWaalsContact OD1-CB 3.31Å; N59-T124 WeakPolarHBondContact OD1-CB 3.46Å; N59-T124 PolarHBondContact OD1-N 2.83Å
60I98.2Very high95.8Very high5 Ų539.1 Ų39.13%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-77.3121.4176.9-55.8170.9000109P63 L74 T124 V126 I160 L402I60-P63 HydrophobicContact CG2-CB 4.22Å; I60-L74 HydrophobicContact CB-CD2 4.46Å; I60-L74 HydrophobicContact CG1-CD2 3.78Å; I60-T124 HydrophobicContact CB-CG2 4.36Å; I60-T124 PolarHBondContact N-O 2.92Å; I60-V126 HydrophobicContact CD1-CG1 4.22Å; I60-I160 HydrophobicContact CD1-CD1 3.88Å; I60-L402 HydrophobicContact CD1-CD2 4.01Å
61T98Very high96.3Very high71 Ų7141.2 Ų41.244%0.43622%0.215SC..SBendtrans-95.9-18-177.958.60000114N59 P63 I73 K75N59-T61 PolarHBondContact O-N 3.4Å; T61-P63 WeakPolarHBondContact O-CD 3.39Å; T61-I73 PolarHBondContact N-O 3.48Å; T61-I73 WeakPolarHBondContact OG1-CB 3.38Å; T61-I73 VanDerWaalsContact OG1-CG2 3.25Å; T61-I73 WeakPolarHBondContact OG1-CG2 3.3Å; T61-I73 PolarHBondContact OG1-O 3.09Å; T61-K75 HydrophobicContact CG2-CB 3.8Å
62N97.3Very high96.5Very high15 Ų1540.6 Ų40.68%0.0821%0.212CC..  trans-123.255.217968.6-32.9000112.3Y64 E65 F66 K71 I73N62-Y64 VanDerWaalsContact C-N 3.31Å; N62-Y64 PolarHBondContact O-N 2.97Å; N62-E65 VanDerWaalsContact C-OE2 3.29Å; N62-E65 WeakPolarHBondContact CA-OE2 3.07Å; N62-E65 HydrophobicContact CB-CB 4.3Å; N62-E65 WeakPolarHBondContact CB-OE2 3.38Å; N62-E65 PolarHBondContact O-N 3.18Å; N62-F66 VanDerWaalsContact O-CB 3.32Å; N62-F66 WeakPolarHBondContact O-CB 3.46Å; N62-F66 PolarHBondContact O-N 2.97Å; N62-K71 PolarHBondContact ND2-O 2.97Å; N62-I73 HydrophobicContact CB-CD1 4.21Å; N62-I73 WeakPolarHBondContact OD1-CB 3.41Å; N62-I73 PolarHBondContact OD1-N 2.7Å
63P96.3Very high96.5Very high39 Ų3941.7 Ų41.725%0.25322%0.218SC..Hα-helixtrans-60.8-36.4-171.424-34.3000113.6I60 T61 Q67 T124 I160I60-P63 HydrophobicContact CG2-CB 4.22Å; T61-P63 WeakPolarHBondContact O-CD 3.39Å; P63-Q67 WeakPolarHBondContact O-CB 3.39Å; P63-Q67 VanDerWaalsContact O-CG 3.3Å; P63-Q67 WeakPolarHBondContact O-CG 3.39Å; P63-Q67 PolarHBondContact O-N 3.36Å; P63-T124 HydrophobicContact CB-CG2 4.21Å; P63-T124 HydrophobicContact CG-CG2 4.29Å; P63-I160 HydrophobicContact CB-CB 4.36Å; P63-I160 HydrophobicContact CB-CD1 4.14Å; P63-I160 HydrophobicContact CB-CG1 3.87Å; P63-I160 HydrophobicContact CB-CG2 3.83Å
64Y94.6Very high96.6Very high163 Ų16341.4 Ų41.464%0.63922%0.216SC*.Hα-helixtrans-71.5-44.9-178.3178.8-98.6000111.7N62 F66 Q67 N68N62-Y64 VanDerWaalsContact C-N 3.31Å; N62-Y64 PolarHBondContact O-N 2.97Å; Y64-F66 VanDerWaalsContact C-N 3.34Å; Y64-Q67 PolarHBondContact O-N 3.38Å; Y64-N68 WeakPolarHBondContact CE1-ND2 3.4Å; Y64-N68 PolarHBondContact O-N 3.48Å; Y64-N68 PolarHBondContact O-ND2 3.28Å
65E96Very high96.5Very high98 Ų9845.7 Ų45.746%0.45823%0.234SC..Hα-helixtrans-64.6-42.7176.4-61.182.2174.900110.3N62 N68 G69 A70N62-E65 VanDerWaalsContact C-OE2 3.29Å; N62-E65 WeakPolarHBondContact CA-OE2 3.07Å; N62-E65 HydrophobicContact CB-CB 4.3Å; N62-E65 WeakPolarHBondContact CB-OE2 3.38Å; N62-E65 PolarHBondContact O-N 3.18Å; E65-N68 CarbonylContact O-C 3.57Å; E65-N68 WeakPolarHBondContact O-CA 3.43Å; E65-N68 PolarHBondContact O-N 2.95Å; E65-N68 VanDerWaalsContact O-N 3.09Å; E65-G69 PolarHBondContact O-N 3.11Å; E65-A70 HydrophobicContact CB-CB 3.79Å; E65-A70 VanDerWaalsContact O-CB 3.24Å; E65-A70 WeakPolarHBondContact O-CB 3.4Å; E65-A70 PolarHBondContact O-N 2.81Å
66F95.5Very high96.5Very high2 Ų248.5 Ų48.51%0.00925%0.248CC..Hα-helixtrans-58.5-49.9175.6174.4-120.7000111.2N62 Y64 N68 G69 A70 P72 V126 L159 I160 I385 L397 I400 L402N62-F66 VanDerWaalsContact O-CB 3.32Å; N62-F66 WeakPolarHBondContact O-CB 3.46Å; N62-F66 PolarHBondContact O-N 2.97Å; Y64-F66 VanDerWaalsContact C-N 3.34Å; F66-N68 PolarHBondContact O-N 2.96Å; F66-N68 VanDerWaalsContact O-N 3.09Å; F66-G69 PolarHBondContact O-N 2.96Å; F66-A70 WeakPolarHBondContact CD2-O 3.41Å; F66-P72 HydrophobicContact CD2-CB 3.68Å; F66-P72 HydrophobicContact CD2-CG 3.99Å; F66-P72 HydrophobicContact CE2-CB 3.96Å; F66-P72 HydrophobicContact CE2-CG 3.89Å; F66-P72 HydrophobicContact CG-CB 4.05Å; F66-V126 HydrophobicContact CE1-CG1 4.15Å; F66-L159 HydrophobicContact CE1-CD2 4.47Å; F66-I160 HydrophobicContact CD1-CD1 4.24Å; F66-I385 HydrophobicContact CE1-CD1 4.4Å; F66-I385 HydrophobicContact CZ-CD1 4.05Å; F66-L397 HydrophobicContact CD2-CD2 4.31Å; F66-L397 HydrophobicContact CE1-CD2 4.49Å; F66-L397 HydrophobicContact CE2-CD2 4.08Å; F66-L397 HydrophobicContact CZ-CD2 4.18Å; F66-L397 WeakPolarHBondContact O-CD2 3.38Å; F66-I400 HydrophobicContact CE2-CG2 4.49Å; F66-I400 HydrophobicContact CZ-CG2 4.37Å; F66-L402 HydrophobicContact CE1-CD2 4.32Å; F66-L402 HydrophobicContact CZ-CD2 4.42Å
67Q91.7Very high96.4Very high38 Ų3848.8 Ų48.818%0.17825%0.251CS..Hα-helixtrans-57-26.8176-77.2-180-54.200113.5P63 Y64 I160P63-Q67 WeakPolarHBondContact O-CB 3.39Å; P63-Q67 VanDerWaalsContact O-CG 3.3Å; P63-Q67 WeakPolarHBondContact O-CG 3.39Å; P63-Q67 PolarHBondContact O-N 3.36Å; Y64-Q67 PolarHBondContact O-N 3.38Å; Q67-I160 VanDerWaalsContact CD-CG1 3.48Å; Q67-I160 HydrophobicContact CG-CD1 4.45Å; Q67-I160 HydrophobicContact CG-CG1 3.72Å
68N92.6Very high96.4Very high84 Ų8449.3 Ų49.345%0.44926%0.257SS..THydrogen-bonded Turntrans-93.29.4177.7-70.6-56.7000114Y64 E65 F66Y64-N68 WeakPolarHBondContact CE1-ND2 3.4Å; Y64-N68 PolarHBondContact O-N 3.48Å; Y64-N68 PolarHBondContact O-ND2 3.28Å; E65-N68 CarbonylContact O-C 3.57Å; E65-N68 WeakPolarHBondContact O-CA 3.43Å; E65-N68 PolarHBondContact O-N 2.95Å; E65-N68 VanDerWaalsContact O-N 3.09Å; F66-N68 PolarHBondContact O-N 2.96Å; F66-N68 VanDerWaalsContact O-N 3.09Å
69G93Very high96.4Very high38 Ų3850.6 Ų50.639%0.39227%0.265SS..THydrogen-bonded Turntrans100.84171.800000115.5E65 F66 N396E65-G69 PolarHBondContact O-N 3.11Å; F66-G69 PolarHBondContact O-N 2.96Å; G69-N396 VanDerWaalsContact CA-O 3.31Å; G69-N396 WeakPolarHBondContact CA-O 3.16Å
70A95.9Very high96.4Very high44 Ų4449.5 Ų49.536%0.36426%0.259SS..PPolyproline II helixtrans-71.2163.6170.100000111.3E65 F66E65-A70 HydrophobicContact CB-CB 3.79Å; E65-A70 VanDerWaalsContact O-CB 3.24Å; E65-A70 WeakPolarHBondContact O-CB 3.4Å; E65-A70 PolarHBondContact O-N 2.81Å; F66-A70 WeakPolarHBondContact CD2-O 3.41Å
71K96.2Very high96.4Very high108 Ų10849.2 Ų49.247%0.4726%0.258SS..PPolyproline II helixtrans-66.7140.5171.8-68.6-171.9-176.2-176.30110.7N62 T347N62-K71 PolarHBondContact ND2-O 2.97Å; K71-T347 WeakPolarHBondContact CE-O 3.39Å; K71-T347 PolarHBondContact NZ-O 2.92Å
72P97.4Very high96.4Very high2 Ų246 Ų461%0.01324%0.238CC..PPolyproline II helixtrans-70.1134.2172.729.9-33.1000110.2F66 L74 I349 D350 I400 L402F66-P72 HydrophobicContact CD2-CB 3.68Å; F66-P72 HydrophobicContact CD2-CG 3.99Å; F66-P72 HydrophobicContact CE2-CB 3.96Å; F66-P72 HydrophobicContact CE2-CG 3.89Å; F66-P72 HydrophobicContact CG-CB 4.05Å; P72-L74 HydrophobicContact CB-CD2 4.43Å; P72-I349 HydrophobicContact CG-CG1 4.02Å; P72-I349 HydrophobicContact CG-CG2 4.37Å; P72-D350 PolarHBondContact O-N 3.19Å; P72-D350 VanDerWaalsContact O-N 3.08Å; P72-I400 HydrophobicContact CG-CD1 3.65Å; P72-L402 HydrophobicContact CB-CD1 3.88Å; P72-L402 HydrophobicContact CG-CD1 3.76Å
73I98Very high96.3Very high56 Ų5647.9 Ų47.929%0.28725%0.248SC..BIsolated β-bridgetrans-101.7117.7170.6-57.4170.6000106.6T61 N62 D350 N351T61-I73 PolarHBondContact N-O 3.48Å; T61-I73 WeakPolarHBondContact OG1-CB 3.38Å; T61-I73 VanDerWaalsContact OG1-CG2 3.25Å; T61-I73 WeakPolarHBondContact OG1-CG2 3.3Å; T61-I73 PolarHBondContact OG1-O 3.09Å; N62-I73 HydrophobicContact CB-CD1 4.21Å; N62-I73 WeakPolarHBondContact OD1-CB 3.41Å; N62-I73 PolarHBondContact OD1-N 2.7Å; I73-D350 HydrophobicContact CG1-CB 4.09Å; I73-N351 WeakPolarHBondContact CG2-ND2 3.48Å
74L97.8Very high96.3Very high3 Ų346.4 Ų46.42%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-103.5142.6-178.7-57.9-176.9000110.7F58 N59 I60 P72 I349 D350 N351 L402 P403F58-L74 HydrophobicContact CB-CB 4.27Å; F58-L74 HydrophobicContact CB-CD1 3.94Å; F58-L74 HydrophobicContact CB-CD2 4.41Å; F58-L74 HydrophobicContact CB-CG 4.43Å; F58-L74 HydrophobicContact CD1-CB 4.13Å; F58-L74 HydrophobicContact CD1-CD1 4.18Å; F58-L74 HydrophobicContact CG-CD1 4.19Å; N59-L74 CarbonylContact O-C 3.59Å; N59-L74 WeakPolarHBondContact O-CA 3.36Å; I60-L74 HydrophobicContact CB-CD2 4.46Å; I60-L74 HydrophobicContact CG1-CD2 3.78Å; P72-L74 HydrophobicContact CB-CD2 4.43Å; L74-I349 HydrophobicContact CB-CG2 4.47Å; L74-I349 HydrophobicContact CD1-CG2 3.52Å; L74-I349 HydrophobicContact CG-CG2 3.72Å; L74-D350 PolarHBondContact N-O 3.36Å; L74-N351 WeakPolarHBondContact O-CB 3.39Å; L74-N351 PolarHBondContact O-ND2 3.29Å; L74-L402 HydrophobicContact CD1-CD1 4.34Å; L74-L402 HydrophobicContact CD2-CD1 4.22Å; L74-P403 HydrophobicContact CD1-CB 3.98Å; L74-P403 HydrophobicContact CD1-CG 3.93Å
75K97.6Very high96.2Very high123 Ų12343.1 Ų43.154%0.53523%0.227SC..EExtended strand (participates in β ladder)trans-118.9119.4167.2-176.5179-179.8-178.20108.7N59 T61 L77N59-K75 WeakPolarHBondContact CB-O 3.26Å; N59-K75 PolarHBondContact N-O 3.48Å; N59-K75 PolarHBondContact O-N 2.93Å; T61-K75 HydrophobicContact CG2-CB 3.8Å; K75-L77 HydrophobicContact CD-CD2 4.42Å; K75-L77 HydrophobicContact CG-CD2 4.47Å
76Q97.5Very high96.1Very high66 Ų6639.9 Ų39.931%0.30821%0.21SC..EExtended strand (participates in β ladder)trans-68.4130.6174.2-175.7-177.8-61.300110.4Y56 F57 F58 H337 Y406Y56-Q76 HydrophobicContact CD1-CG 4.31Å; F57-Q76 CarbonylContact O-C 3.56Å; F57-Q76 WeakPolarHBondContact O-CA 3.45Å; F58-Q76 HydrophobicContact CD1-CB 4.47Å; F58-Q76 HydrophobicContact CE1-CB 4.36Å; Q76-H337 PolarHBondContact OE1-CE1 3.31Å; Q76-H337 PolarHBondContact OE1-NE2 3.15Å; Q76-Y406 HydrophobicContact CG-CE1 4.3Å; Q76-Y406 PolarHBondContact NE2-OH 2.88Å
77L97.3Very high96Very high38 Ų3841.8 Ų41.820%0.19922%0.218CC..EExtended strand (participates in β ladder)trans-123.5118.1174.8-64179.6000109.2Y56 F57 N59 K75 Y80 I123Y56-L77 CarbonylContact C-O 3.59Å; Y56-L77 WeakPolarHBondContact CA-O 3.45Å; F57-L77 PolarHBondContact N-O 3.28Å; F57-L77 PolarHBondContact O-N 2.72Å; N59-L77 HydrophobicContact CB-CD1 3.69Å; N59-L77 HydrophobicContact CB-CG 4.18Å; K75-L77 HydrophobicContact CD-CD2 4.42Å; K75-L77 HydrophobicContact CG-CD2 4.47Å; L77-Y80 HydrophobicContact CB-CE2 4.34Å; L77-I123 HydrophobicContact CB-CD1 4.22Å; L77-I123 HydrophobicContact CD1-CD1 3.51Å; L77-I123 HydrophobicContact CG-CD1 4.42Å
78G96.8Very high96.1Very high12 Ų1240.8 Ų40.812%0.12421%0.213CC..EExtended strand (participates in β ladder)trans161.9179.5179.500000112.1
79P98.2Very high96.1Very high30 Ų3042 Ų4220%0.19521%0.212CC..EExtended strand (participates in β ladder)cis-76.1146.23.230-33.8000112.8Q54 F55 Y56 S115 I116Q54-P79 HydrophobicContact CB-CB 3.84Å; Q54-P79 HydrophobicContact CG-CB 4.18Å; F55-P79 CarbonylContact O-C 3.2Å; F55-P79 WeakPolarHBondContact O-CA 3.45Å; Y56-P79 HydrophobicContact CE1-CB 3.87Å; Y56-P79 HydrophobicContact CE1-CG 4.37Å; Y56-P79 HydrophobicContact CE2-CB 4.22Å; P79-S115 CarbonylContact O-C 3.56Å; P79-S115 VanDerWaalsContact O-CA 3.27Å; P79-S115 WeakPolarHBondContact O-CA 3.31Å; P79-I116 PolarHBondContact O-N 2.8Å
80Y98.5Very high96.2Very high4 Ų444.8 Ų44.82%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-101.6105.7155.4-60.8-86.5000107.1F55 F57 L77 I116 H118 D121 I165F55-Y80 PolarHBondContact N-O 3.17Å; F55-Y80 PolarHBondContact O-N 2.94Å; F57-Y80 HydrophobicContact CD2-CD2 4.09Å; F57-Y80 HydrophobicContact CD2-CE2 4.34Å; L77-Y80 HydrophobicContact CB-CE2 4.34Å; Y80-I116 HydrophobicContact CE1-CG2 4.49Å; Y80-H118 WeakPolarHBondContact CE1-O 3.35Å; Y80-D121 HydrophobicContact CE1-CB 4.06Å; Y80-D121 WeakPolarHBondContact CE1-OD2 3.15Å; Y80-D121 VanDerWaalsContact OH-CB 3.31Å; Y80-D121 WeakPolarHBondContact OH-CB 3.44Å; Y80-D121 PolarHBondContact OH-OD2 3.02Å; Y80-I165 HydrophobicContact CD1-CG1 4.11Å; Y80-I165 HydrophobicContact CD1-CG2 4.27Å; Y80-I165 HydrophobicContact CD2-CD1 3.79Å; Y80-I165 HydrophobicContact CD2-CG1 4.17Å; Y80-I165 HydrophobicContact CD2-CG2 4.41Å; Y80-I165 HydrophobicContact CE1-CD1 4.3Å; Y80-I165 HydrophobicContact CE1-CG1 3.76Å; Y80-I165 HydrophobicContact CE2-CD1 3.4Å; Y80-I165 VanDerWaalsContact CE2-CD1 3.4Å; Y80-I165 HydrophobicContact CE2-CG1 3.82Å; Y80-I165 HydrophobicContact CG-CD1 4.37Å; Y80-I165 HydrophobicContact CG-CG1 4.29Å; Y80-I165 HydrophobicContact CG-CG2 4.08Å
81T98.4Very high96.2Very high0 Ų044.9 Ų44.90%021%0.212CC..EExtended strand (participates in β ladder)trans-97134-167.5-58.40000110.6M52 Q54 F110 N111 L114 S115M52-T81 HydrophobicContact CB-CG2 4.38Å; Q54-T81 HydrophobicContact CG-CG2 4.1Å; T81-F110 WeakPolarHBondContact O-CD2 3.39Å; T81-N111 HydrophobicContact CG2-CB 4.28Å; T81-N111 PolarHBondContact O-N 3.1Å; T81-L114 WeakPolarHBondContact CB-O 3.45Å; T81-L114 HydrophobicContact CG2-CB 3.84Å; T81-L114 HydrophobicContact CG2-CD1 4.33Å; T81-L114 PolarHBondContact OG1-O 2.88Å; T81-S115 PolarHBondContact N-OG 2.83Å
82F97.7Very high96.1Very high2 Ų245.9 Ų45.91%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-125133.7172.6-65-103000109.7M52 I53 F55 E84 Y109 F110 E119 L169 W170M52-F82 WeakPolarHBondContact CA-O 3.33Å; I53-F82 HydrophobicContact CG2-CB 3.83Å; I53-F82 PolarHBondContact N-O 3.37Å; I53-F82 PolarHBondContact O-N 3.17Å; F55-F82 AromaticContact CD2-CD2 3.81Å; F55-F82 HydrophobicContact CD2-CD2 3.81Å; F55-F82 AromaticContact CD2-CE2 3.94Å; F55-F82 HydrophobicContact CD2-CE2 3.94Å; F55-F82 AromaticContact CE2-CD2 3.83Å; F55-F82 HydrophobicContact CE2-CD2 3.83Å; F55-F82 HydrophobicContact CE2-CE2 4.2Å; F82-E84 PolarHBondContact O-N 2.88Å; F82-Y109 CarbonylContact C-O 3.51Å; F82-Y109 WeakPolarHBondContact CA-O 3.41Å; F82-F110 VanDerWaalsContact CD1-CA 3.46Å; F82-F110 HydrophobicContact CD1-CB 3.89Å; F82-F110 HydrophobicContact CD1-CD2 4.17Å; F82-F110 HydrophobicContact CD2-CD2 4.32Å; F82-F110 HydrophobicContact CE1-CB 3.6Å; F82-F110 AromaticContact CE1-CD2 3.69Å; F82-F110 HydrophobicContact CE1-CD2 3.69Å; F82-F110 HydrophobicContact CE1-CG 4.09Å; F82-F110 AromaticContact CE2-CD2 3.87Å; F82-F110 HydrophobicContact CE2-CD2 3.87Å; F82-F110 HydrophobicContact CE2-CE2 4.4Å; F82-F110 HydrophobicContact CG-CD2 4.45Å; F82-F110 HydrophobicContact CZ-CB 4.31Å; F82-F110 AromaticContact CZ-CD2 3.54Å; F82-F110 HydrophobicContact CZ-CD2 3.54Å; F82-F110 HydrophobicContact CZ-CE2 4.32Å; F82-F110 HydrophobicContact CZ-CG 4.32Å; F82-E119 HydrophobicContact CE1-CG 4.42Å; F82-E119 WeakPolarHBondContact CE1-OE1 3.32Å; F82-E119 HydrophobicContact CZ-CG 3.98Å; F82-E119 WeakPolarHBondContact CZ-OE1 3.25Å; F82-L169 HydrophobicContact CE2-CD1 3.51Å; F82-L169 HydrophobicContact CZ-CD1 3.6Å; F82-W170 AromaticContact CD1-CZ2 3.89Å; F82-W170 HydrophobicContact CD1-CZ2 3.89Å; F82-W170 AromaticContact CE1-CZ2 3.54Å; F82-W170 HydrophobicContact CE1-CZ2 3.54Å; F82-W170 HydrophobicContact CZ-CZ2 4.03Å
83D96.4Very high95.9Very high56 Ų5648 Ų4830%0.29923%0.226SC..EExtended strand (participates in β ladder)trans-76.2121.2167.4-57.6-36.8000108Y109 N111D83-Y109 PolarHBondContact N-O 3.07Å; D83-Y109 PolarHBondContact O-N 2.68Å; D83-N111 PolarHBondContact OD1-ND2 2.83Å; D83-N111 VanDerWaalsContact OD1-ND2 3.1Å; D83-N111 PolarHBondContact OD2-ND2 3.41Å
84E94.8Very high95.7Very high7 Ų748.4 Ų48.43%0.03323%0.228CC..EExtended strand (participates in β ladder)trans-98127.7178.8-173.5177.8161.100110.1I51 F82 R86 K106 Q107 Y108I51-E84 HydrophobicContact CB-CB 4.19Å; I51-E84 HydrophobicContact CG2-CB 4.04Å; I51-E84 PolarHBondContact O-N 2.87Å; F82-E84 PolarHBondContact O-N 2.88Å; E84-R86 VanDerWaalsContact CD-NH2 3.32Å; E84-R86 HydrophobicContact CG-CG 4.33Å; E84-R86 IonicContact OE1-CZ 3.71Å; E84-R86 IonicContact OE1-NE 3.87Å; E84-R86 PolarHBondContact OE1-NE 2.95Å; E84-R86 IonicContact OE1-NH2 2.65Å; E84-R86 PolarHBondContact OE1-NH2 3Å; E84-R86 IonicContact OE2-NH2 3.04Å; E84-R86 PolarHBondContact OE2-NH2 2.98Å; E84-K106 VanDerWaalsContact OE1-CD 3.29Å; E84-K106 WeakPolarHBondContact OE1-CD 3.25Å; E84-K106 IonicContact OE1-NZ 2.89Å; E84-Q107 CarbonylContact C-O 3.43Å; E84-Q107 WeakPolarHBondContact CA-O 3.23Å; E84-Y108 HydrophobicContact CB-CD1 4.19Å; E84-Y108 HydrophobicContact CB-CE1 4.15Å; E84-Y108 HydrophobicContact CG-CD1 4.08Å; E84-Y108 HydrophobicContact CG-CE1 3.7Å; E84-Y108 WeakPolarHBondContact OE2-CE1 3.5Å
85K94.1Very high95.2Very high95 Ų9554.2 Ų54.241%0.41325%0.251SS..EExtended strand (participates in β ladder)trans-109.7124.9170.8-58-170.5-172.6170.10109.6Y87 K106 Q107 Y109K85-Y87 HydrophobicContact CB-CE2 3.61Å; K85-Y87 WeakPolarHBondContact CD-OH 3.48Å; K85-K106 WeakPolarHBondContact O-CA 3.4Å; K85-Q107 HydrophobicContact CB-CB 4.37Å; K85-Q107 PolarHBondContact N-O 3.18Å; K85-Q107 PolarHBondContact O-N 3.22Å; K85-Y109 HydrophobicContact CB-CE2 4.36Å; K85-Y109 HydrophobicContact CD-CD2 4.22Å; K85-Y109 HydrophobicContact CD-CE2 3.6Å; K85-Y109 HydrophobicContact CG-CD2 4.16Å; K85-Y109 HydrophobicContact CG-CE2 3.84Å
86R92.6Very high94.9Very high30 Ų3056.3 Ų56.311%0.11326%0.261CS..EExtended strand (participates in β ladder)trans-108.1142.1176.5-63.5-172173.3161.50.7110.5P47 I51 E84 Y105 K106 E409P47-R86 WeakPolarHBondContact CD-O 3.38Å; P47-R86 HydrophobicContact CG-CB 4.45Å; I51-R86 HydrophobicContact CD1-CG 4Å; E84-R86 VanDerWaalsContact CD-NH2 3.32Å; E84-R86 HydrophobicContact CG-CG 4.33Å; E84-R86 IonicContact OE1-CZ 3.71Å; E84-R86 IonicContact OE1-NE 3.87Å; E84-R86 PolarHBondContact OE1-NE 2.95Å; E84-R86 IonicContact OE1-NH2 2.65Å; E84-R86 PolarHBondContact OE1-NH2 3Å; E84-R86 IonicContact OE2-NH2 3.04Å; E84-R86 PolarHBondContact OE2-NH2 2.98Å; R86-Y105 WeakPolarHBondContact CA-O 3.19Å; R86-K106 HydrophobicContact CG-CG 4.38Å; R86-E409 IonicContact CZ-OE1 2.87Å; R86-E409 IonicContact NH1-OE1 3.44Å; R86-E409 PolarHBondContact NH1-OE1 2.88Å; R86-E409 IonicContact NH2-OE1 3.02Å; R86-E409 PolarHBondContact NH2-OE1 2.9Å; R86-E409 IonicContact NH2-OE2 3.65Å; R86-E409 PolarHBondContact NH2-OE2 3Å
87Y93.8Very high94.6Very high42 Ų4257.4 Ų57.417%0.16527%0.269CS..EExtended strand (participates in β ladder)trans-141.3147.7175.1-54.8-90.9000109.4L45 K46 K85 Y89 E104 Y105 Q107L45-Y87 WeakPolarHBondContact O-CA 3.31Å; K46-Y87 HydrophobicContact CB-CD1 4.42Å; K46-Y87 HydrophobicContact CD-CD1 4.19Å; K46-Y87 HydrophobicContact CD-CE1 3.86Å; K46-Y87 HydrophobicContact CG-CD1 3.93Å; K46-Y87 HydrophobicContact CG-CE1 3.83Å; K85-Y87 HydrophobicContact CB-CE2 3.61Å; K85-Y87 WeakPolarHBondContact CD-OH 3.48Å; Y87-Y89 HydrophobicContact CG-CE2 4.25Å; Y87-E104 CarbonylContact O-C 3.55Å; Y87-E104 WeakPolarHBondContact O-CA 3.5Å; Y87-Y105 AromaticContact CD2-CD1 3.85Å; Y87-Y105 HydrophobicContact CD2-CD1 3.85Å; Y87-Y105 PolarHBondContact N-O 3.09Å; Y87-Y105 PolarHBondContact O-N 3.18Å; Y87-Q107 HydrophobicContact CE2-CG 4.45Å
88K93.4Very high94.4Very high17 Ų1755.7 Ų55.77%0.07426%0.26CS..EExtended strand (participates in β ladder)trans-102.4129.8169.7-50.2-56.1-163.6-179.80109.4W44 L45 I91 Y102 Q103 E104 D245W44-K88 HydrophobicContact CD2-CG 4.35Å; W44-K88 HydrophobicContact CH2-CB 4.27Å; W44-K88 HydrophobicContact CH2-CG 4.14Å; W44-K88 HydrophobicContact CZ2-CD 4.35Å; W44-K88 HydrophobicContact CZ2-CG 3.91Å; W44-K88 HydrophobicContact CZ3-CB 4.5Å; W44-K88 HydrophobicContact CZ3-CG 4.44Å; W44-K88 WeakPolarHBondContact O-CG 3.48Å; L45-K88 HydrophobicContact CD2-CB 4.37Å; L45-K88 PolarHBondContact O-N 2.88Å; K88-I91 HydrophobicContact CB-CD1 3.9Å; K88-I91 HydrophobicContact CB-CG1 4.48Å; K88-Y102 HydrophobicContact CB-CD2 4.29Å; K88-Y102 HydrophobicContact CD-CD2 3.67Å; K88-Y102 HydrophobicContact CD-CE2 3.62Å; K88-Y102 HydrophobicContact CG-CD2 4.27Å; K88-Q103 CarbonylContact C-O 3.54Å; K88-Q103 WeakPolarHBondContact CA-O 3.47Å; K88-E104 HydrophobicContact CD-CB 4.35Å; K88-E104 HydrophobicContact CD-CG 4.4Å; K88-E104 IonicContact NZ-OE1 3.19Å; K88-E104 PolarHBondContact NZ-OE1 2.49Å; K88-D245 IonicContact NZ-OD2 2.83Å; K88-D245 PolarHBondContact NZ-OD2 3.45Å
89Y94Very high94.3Very high110 Ų11056 Ų5643%0.43126%0.259SS..EExtended strand (participates in β ladder)trans-124.4170.5179.7-76.7-82.3000111.3Y87 I91 Q103 Y105 L202Y87-Y89 HydrophobicContact CG-CE2 4.25Å; Y89-I91 VanDerWaalsContact C-N 3.27Å; Y89-I91 PolarHBondContact O-N 2.75Å; Y89-Q103 PolarHBondContact N-O 2.77Å; Y89-Q103 PolarHBondContact O-N 2.82Å; Y89-Y105 VanDerWaalsContact CD2-CB 3.47Å; Y89-Y105 HydrophobicContact CD2-CG 4.1Å; Y89-Y105 AromaticContact CE2-CD1 3.82Å; Y89-Y105 HydrophobicContact CE2-CD1 3.82Å; Y89-Y105 AromaticContact CE2-CG 3.8Å; Y89-Y105 HydrophobicContact CE2-CG 3.8Å; Y89-L202 HydrophobicContact CD2-CD2 4.09Å; Y89-L202 HydrophobicContact CG-CD2 4.27Å
90N95.1Very high94.1Very high95 Ų9554.5 Ų54.551%0.50825%0.25SC..EExtended strand (participates in β ladder)trans52.743.6175.4-63.6-18.7000113.4Q103N90-Q103 PolarHBondContact ND2-OE1 2.75Å
91I93.9Very high94Very high47 Ų4756 Ų5624%0.24126%0.257CS..EExtended strand (participates in β ladder)trans-82.6128.1-168.1-51.9178.1000110.5W44 L45 K88 Y89 I100 E101W44-I91 HydrophobicContact CZ3-CD1 4.22Å; L45-I91 HydrophobicContact CD2-CD1 2.93Å; L45-I91 HydrophobicContact CD2-CG1 4.43Å; L45-I91 HydrophobicContact CG-CD1 4.42Å; K88-I91 HydrophobicContact CB-CD1 3.9Å; K88-I91 HydrophobicContact CB-CG1 4.48Å; Y89-I91 VanDerWaalsContact C-N 3.27Å; Y89-I91 PolarHBondContact O-N 2.75Å; I91-I100 HydrophobicContact CG2-CG2 3.81Å; I91-E101 CarbonylContact C-O 3.23Å; I91-E101 VanDerWaalsContact CA-O 3.25Å; I91-E101 WeakPolarHBondContact CA-O 3.38Å
92K94.5Very high93.8Very high128 Ų12856 Ų5656%0.55726%0.257SS*.EExtended strand (participates in β ladder)trans-127125.6174.8-52.9-175.7-157.4135.90110.1I100 E101K92-I100 WeakPolarHBondContact O-CA 3.32Å; K92-E101 HydrophobicContact CB-CB 4.3Å; K92-E101 WeakPolarHBondContact CD-OE2 3.48Å; K92-E101 WeakPolarHBondContact CE-OE2 3.14Å; K92-E101 PolarHBondContact N-O 3.1Å; K92-E101 IonicContact NZ-OE2 3.06Å; K92-E101 PolarHBondContact NZ-OE2 2.79Å; K92-E101 PolarHBondContact O-N 2.69Å
93H93.2Very high93.7Very high47 Ų4757.8 Ų57.822%0.21827%0.265CS..EExtended strand (participates in β ladder)trans-95134.1175.1-67.4-95.5000110Y41 Y95Y41-H93 AromaticContact CE2-CE1 3.54Å; Y41-H93 AromaticContact CE2-NE2 3.84Å; Y41-H93 AromaticContact CZ-CE1 3.66Å; Y41-H93 AromaticContact CZ-NE2 3.47Å; Y41-H93 PolarHBondContact OH-CE1 3.2Å; Y41-H93 PolarHBondContact OH-NE2 3.09Å; H93-Y95 HydrophobicContact CB-CD2 4.34Å; H93-Y95 HydrophobicContact CB-CE1 3.92Å; H93-Y95 HydrophobicContact CB-CE2 3.76Å; H93-Y95 AromaticContact CG-CZ 3.78Å; H93-Y95 AromaticContact ND1-CE1 3.91Å; H93-Y95 AromaticContact ND1-CZ 3.99Å
94N93.8Very high93.6Very high64 Ų6455.7 Ų55.734%0.34225%0.253SS..EExtended strand (participates in β ladder)trans-118.690.6165.4-177.2-21.6000108.7F96 N97 G98 T99N94-F96 PolarHBondContact O-N 2.77Å; N94-F96 PolarHBondContact OD1-N 2.92Å; N94-N97 PolarHBondContact ND2-ND2 3.42Å; N94-N97 PolarHBondContact O-N 3.09Å; N94-N97 PolarHBondContact OD1-N 2.84Å; N94-G98 WeakPolarHBondContact O-CA 3.31Å; N94-G98 PolarHBondContact O-N 2.8Å; N94-T99 PolarHBondContact N-O 3.32Å; N94-T99 PolarHBondContact O-N 3.41Å; N94-T99 VanDerWaalsContact O-N 3.08Å
95Y88.8Confident93.6Very high125 Ų12557.6 Ų57.649%0.4926%0.261SS..THydrogen-bonded Turntrans-66.6-24.8-178.9-59.6-65.3000113.4H93H93-Y95 HydrophobicContact CB-CD2 4.34Å; H93-Y95 HydrophobicContact CB-CE1 3.92Å; H93-Y95 HydrophobicContact CB-CE2 3.76Å; H93-Y95 AromaticContact CG-CZ 3.78Å; H93-Y95 AromaticContact ND1-CE1 3.91Å; H93-Y95 AromaticContact ND1-CZ 3.99Å
96F91Very high93.6Very high168 Ų16854 Ų5474%0.73725%0.245SC*.THydrogen-bonded Turntrans-68.7-42.7176.9-179-99.8000110.9N94 K213N94-F96 PolarHBondContact O-N 2.77Å; N94-F96 PolarHBondContact OD1-N 2.92Å; F96-K213 WeakPolarHBondContact O-CE 2.89Å; F96-K213 PolarHBondContact O-NZ 2.94Å
97N91.1Very high93.7Very high89 Ų8954 Ų5448%0.47625%0.246SC..THydrogen-bonded Turntrans-87.3-22.2177.9-71.1-15.6000113.2N94 T99N94-N97 PolarHBondContact ND2-ND2 3.42Å; N94-N97 PolarHBondContact O-N 3.09Å; N94-N97 PolarHBondContact OD1-N 2.84Å; N97-T99 HydrophobicContact CB-CG2 4.21Å
98G92.1Very high93.8Very high2 Ų253 Ų532%0.02124%0.243CC..THydrogen-bonded Turntrans78.844.1-174.500000112N94 N209 D210N94-G98 WeakPolarHBondContact O-CA 3.31Å; N94-G98 PolarHBondContact O-N 2.8Å; G98-N209 WeakPolarHBondContact O-CA 3.5Å; G98-D210 VanDerWaalsContact C-OD2 3.26Å; G98-D210 WeakPolarHBondContact CA-OD2 3.39Å; G98-D210 VanDerWaalsContact O-CG 3.32Å; G98-D210 PolarHBondContact O-N 3.49Å
99T94.5Very high93.9Very high17 Ų1756.7 Ų56.710%0.10426%0.257CS..EExtended strand (participates in β ladder)trans-130.6151.7-175.264.10000112.9N94 N97 M208 L222N94-T99 PolarHBondContact N-O 3.32Å; N94-T99 PolarHBondContact O-N 3.41Å; N94-T99 VanDerWaalsContact O-N 3.08Å; N97-T99 HydrophobicContact CB-CG2 4.21Å; T99-M208 CarbonylContact C-O 3.57Å; T99-M208 VanDerWaalsContact CA-O 3.24Å; T99-M208 WeakPolarHBondContact CA-O 3.16Å; T99-M208 WeakPolarHBondContact CB-O 3.38Å; T99-L222 HydrophobicContact CG2-CD1 3.54Å
100I94.3Very high94.1Very high0 Ų053.6 Ų53.60%025%0.246CC..EExtended strand (participates in β ladder)trans-126.9123.1176.1-59.7172.1000107.9L34 W44 I91 K92 Y102 M208 D210L34-I100 HydrophobicContact CB-CD1 4.29Å; W44-I100 HydrophobicContact CH2-CG2 3.89Å; W44-I100 HydrophobicContact CZ3-CG2 4.42Å; I91-I100 HydrophobicContact CG2-CG2 3.81Å; K92-I100 WeakPolarHBondContact O-CA 3.32Å; I100-Y102 HydrophobicContact CG2-CD1 4.39Å; I100-M208 HydrophobicContact CB-CE 4.08Å; I100-M208 HydrophobicContact CB-CG 4.31Å; I100-M208 HydrophobicContact CD1-CE 4.09Å; I100-M208 HydrophobicContact CG2-CE 4.23Å; I100-M208 PolarHBondContact N-O 3.38Å; I100-M208 PolarHBondContact O-N 3.27Å; I100-D210 HydrophobicContact CD1-CB 3.8Å; I100-D210 HydrophobicContact CG1-CB 3.97Å
101E95.9Very high94.2Very high34 Ų3450.2 Ų50.216%0.15923%0.228CC..EExtended strand (participates in β ladder)trans-98.8136.6170.3-174.3-179.2-124.600109.1I91 K92 T205 I206 L207 H226I91-E101 CarbonylContact C-O 3.23Å; I91-E101 VanDerWaalsContact CA-O 3.25Å; I91-E101 WeakPolarHBondContact CA-O 3.38Å; K92-E101 HydrophobicContact CB-CB 4.3Å; K92-E101 WeakPolarHBondContact CD-OE2 3.48Å; K92-E101 WeakPolarHBondContact CE-OE2 3.14Å; K92-E101 PolarHBondContact N-O 3.1Å; K92-E101 IonicContact NZ-OE2 3.06Å; K92-E101 PolarHBondContact NZ-OE2 2.79Å; K92-E101 PolarHBondContact O-N 2.69Å; E101-T205 HydrophobicContact CG-CG2 3.3Å; E101-T205 VanDerWaalsContact OE1-CG2 3.32Å; E101-T205 WeakPolarHBondContact OE1-CG2 3.31Å; E101-I206 CarbonylContact C-O 3.56Å; E101-I206 WeakPolarHBondContact CA-O 3.31Å; E101-L207 HydrophobicContact CB-CD1 3.88Å; E101-H226 IonicContact OE1-CE1 2.66Å; E101-H226 PolarHBondContact OE1-CE1 3.16Å; E101-H226 VanDerWaalsContact OE1-CE1 3.32Å; E101-H226 IonicContact OE1-ND1 2.84Å
102Y95.5Very high94.3Very high1 Ų151.1 Ų51.10%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-157.6169.5177.168.5-85.2000112.5W44 K88 I100 I206 M208 D245W44-Y102 AromaticContact CH2-CD1 3.81Å; W44-Y102 HydrophobicContact CH2-CD1 3.81Å; W44-Y102 HydrophobicContact CH2-CE1 4.29Å; W44-Y102 AromaticContact CH2-CG 3.95Å; W44-Y102 HydrophobicContact CH2-CG 3.95Å; W44-Y102 AromaticContact CZ2-CD1 3.63Å; W44-Y102 HydrophobicContact CZ2-CD1 3.63Å; W44-Y102 HydrophobicContact CZ2-CD2 4.24Å; W44-Y102 AromaticContact CZ2-CE1 3.64Å; W44-Y102 HydrophobicContact CZ2-CE1 3.64Å; W44-Y102 HydrophobicContact CZ2-CE2 4.26Å; W44-Y102 AromaticContact CZ2-CG 3.92Å; W44-Y102 HydrophobicContact CZ2-CG 3.92Å; W44-Y102 AromaticContact CZ2-CZ 3.94Å; K88-Y102 HydrophobicContact CB-CD2 4.29Å; K88-Y102 HydrophobicContact CD-CD2 3.67Å; K88-Y102 HydrophobicContact CD-CE2 3.62Å; K88-Y102 HydrophobicContact CG-CD2 4.27Å; I100-Y102 HydrophobicContact CG2-CD1 4.39Å; Y102-I206 HydrophobicContact CD1-CB 4.47Å; Y102-I206 HydrophobicContact CE1-CB 3.99Å; Y102-I206 HydrophobicContact CE1-CG2 3.91Å; Y102-I206 HydrophobicContact CE2-CB 4.21Å; Y102-I206 HydrophobicContact CE2-CD1 4.06Å; Y102-I206 PolarHBondContact N-O 3.19Å; Y102-I206 PolarHBondContact O-N 2.86Å; Y102-M208 HydrophobicContact CD1-CE 4.39Å; Y102-M208 HydrophobicContact CD1-SD 4.5Å; Y102-M208 HydrophobicContact CE1-CE 4.01Å; Y102-M208 HydrophobicContact CE1-CG 3.94Å; Y102-M208 HydrophobicContact CE1-SD 3.64Å; Y102-D245 PolarHBondContact OH-OD2 3.09Å
103Q95.5Very high94.5Very high40 Ų4052.1 Ų52.119%0.18725%0.248CC..EExtended strand (participates in β ladder)trans-121.9145165.4-66.9177.6-78.100109.7K88 Y89 N90 L202 S203K88-Q103 CarbonylContact C-O 3.54Å; K88-Q103 WeakPolarHBondContact CA-O 3.47Å; Y89-Q103 PolarHBondContact N-O 2.77Å; Y89-Q103 PolarHBondContact O-N 2.82Å; N90-Q103 PolarHBondContact ND2-OE1 2.75Å; Q103-L202 HydrophobicContact CB-CD2 4.04Å; Q103-S203 WeakPolarHBondContact CG-O 3.26Å; Q103-S203 PolarHBondContact NE2-O 2.85Å
104E93.7Very high94.6Very high11 Ų1154 Ų545%0.05126%0.259CS..EExtended strand (participates in β ladder)trans-93.2141.5175.5-176.3165.4-110.600110.6Y87 K88 K106 L202 S203Y87-E104 CarbonylContact O-C 3.55Å; Y87-E104 WeakPolarHBondContact O-CA 3.5Å; K88-E104 HydrophobicContact CD-CB 4.35Å; K88-E104 HydrophobicContact CD-CG 4.4Å; K88-E104 IonicContact NZ-OE1 3.19Å; K88-E104 PolarHBondContact NZ-OE1 2.49Å; E104-K106 HydrophobicContact CG-CG 4.19Å; E104-K106 WeakPolarHBondContact OE2-CE 3.3Å; E104-K106 IonicContact OE2-NZ 3.03Å; E104-L202 CarbonylContact O-C 3.53Å; E104-L202 WeakPolarHBondContact O-CA 3.46Å; E104-S203 PolarHBondContact N-OG 3.47Å; E104-S203 PolarHBondContact O-N 2.93Å
105Y94.6Very high94.8Very high47 Ų4751.9 Ų51.918%0.18425%0.249CC..EExtended strand (participates in β ladder)trans-123.7123.7175.6-179-100.5000109.3R86 Y87 Y89 Q107 N200 T201 L202R86-Y105 WeakPolarHBondContact CA-O 3.19Å; Y87-Y105 AromaticContact CD2-CD1 3.85Å; Y87-Y105 HydrophobicContact CD2-CD1 3.85Å; Y87-Y105 PolarHBondContact N-O 3.09Å; Y87-Y105 PolarHBondContact O-N 3.18Å; Y89-Y105 VanDerWaalsContact CD2-CB 3.47Å; Y89-Y105 HydrophobicContact CD2-CG 4.1Å; Y89-Y105 AromaticContact CE2-CD1 3.82Å; Y89-Y105 HydrophobicContact CE2-CD1 3.82Å; Y89-Y105 AromaticContact CE2-CG 3.8Å; Y89-Y105 HydrophobicContact CE2-CG 3.8Å; Y105-Q107 HydrophobicContact CD1-CG 4.01Å; Y105-Q107 HydrophobicContact CE1-CG 3.4Å; Y105-N200 HydrophobicContact CE2-CB 4.33Å; Y105-N200 WeakPolarHBondContact CE2-O 3.35Å; Y105-N200 WeakPolarHBondContact OH-CA 3.09Å; Y105-N200 VanDerWaalsContact OH-CB 3.26Å; Y105-N200 WeakPolarHBondContact OH-CB 3.34Å; Y105-N200 PolarHBondContact OH-OD1 2.75Å; Y105-N200 VanDerWaalsContact OH-OD1 3.11Å; Y105-T201 WeakPolarHBondContact CD2-O 3.5Å; Y105-L202 HydrophobicContact CD2-CD2 4.17Å; Y105-L202 HydrophobicContact CD2-CG 4.24Å
106K93.5Very high95.3Very high21 Ų2151.5 Ų51.59%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-113.8137.4-176.6-62.2-175.1176.6-170.10111.1E84 K85 R86 E104 Y108 N200 Y264E84-K106 VanDerWaalsContact OE1-CD 3.29Å; E84-K106 WeakPolarHBondContact OE1-CD 3.25Å; E84-K106 IonicContact OE1-NZ 2.89Å; K85-K106 WeakPolarHBondContact O-CA 3.4Å; R86-K106 HydrophobicContact CG-CG 4.38Å; E104-K106 HydrophobicContact CG-CG 4.19Å; E104-K106 WeakPolarHBondContact OE2-CE 3.3Å; E104-K106 IonicContact OE2-NZ 3.03Å; K106-Y108 HydrophobicContact CB-CE2 4.06Å; K106-N200 PolarHBondContact O-N 2.95Å; K106-Y264 VanDerWaalsContact CE-OH 3.31Å; K106-Y264 WeakPolarHBondContact CE-OH 3.16Å; K106-Y264 PolarHBondContact NZ-OH 2.77Å
107Q95.2Very high95.5Very high29 Ų2944.3 Ų44.314%0.13623%0.228CC..EExtended strand (participates in β ladder)trans-128.8140.5172.4-54.2-171.5-64.300110E84 K85 Y87 Y105 Y109 N199 N200E84-Q107 CarbonylContact C-O 3.43Å; E84-Q107 WeakPolarHBondContact CA-O 3.23Å; K85-Q107 HydrophobicContact CB-CB 4.37Å; K85-Q107 PolarHBondContact N-O 3.18Å; K85-Q107 PolarHBondContact O-N 3.22Å; Y87-Q107 HydrophobicContact CE2-CG 4.45Å; Y105-Q107 HydrophobicContact CD1-CG 4.01Å; Y105-Q107 HydrophobicContact CE1-CG 3.4Å; Q107-Y109 HydrophobicContact CB-CD2 4.47Å; Q107-Y109 HydrophobicContact CB-CE2 3.63Å; Q107-Y109 VanDerWaalsContact CD-OH 3.25Å; Q107-Y109 PolarHBondContact NE2-OH 2.85Å; Q107-Y109 PolarHBondContact OE1-OH 3.38Å; Q107-N199 WeakPolarHBondContact CA-OD1 3.24Å; Q107-N200 WeakPolarHBondContact CG-OD1 3.34Å; Q107-N200 PolarHBondContact NE2-OD1 3.25Å
108Y96.2Very high95.7Very high22 Ų2246 Ų469%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-119.7128.3179.4-59.8-87.2000110.2I53 E84 K106 W170 L195 N199I53-Y108 HydrophobicContact CG2-CD1 3.79Å; I53-Y108 HydrophobicContact CG2-CE1 3.86Å; E84-Y108 HydrophobicContact CB-CD1 4.19Å; E84-Y108 HydrophobicContact CB-CE1 4.15Å; E84-Y108 HydrophobicContact CG-CD1 4.08Å; E84-Y108 HydrophobicContact CG-CE1 3.7Å; E84-Y108 WeakPolarHBondContact OE2-CE1 3.5Å; K106-Y108 HydrophobicContact CB-CE2 4.06Å; Y108-W170 VanDerWaalsContact CB-CH2 3.48Å; Y108-W170 HydrophobicContact CD1-CH2 4.48Å; Y108-W170 AromaticContact CD2-CH2 3.84Å; Y108-W170 HydrophobicContact CD2-CH2 3.84Å; Y108-W170 HydrophobicContact CD2-CZ3 4.04Å; Y108-W170 AromaticContact CG-CH2 3.68Å; Y108-W170 HydrophobicContact CG-CH2 3.68Å; Y108-W170 HydrophobicContact CG-CZ3 4.35Å; Y108-L195 HydrophobicContact CE2-CD1 4.48Å; Y108-N199 HydrophobicContact CD2-CB 4.21Å; Y108-N199 PolarHBondContact N-OD1 3.48Å
109Y96.6Very high95.9Very high94 Ų9447.9 Ų47.937%0.36924%0.241SC..EExtended strand (participates in β ladder)trans-121.2120.7178.5-60-89.4000109.2F82 D83 K85 Q107 N111F82-Y109 CarbonylContact C-O 3.51Å; F82-Y109 WeakPolarHBondContact CA-O 3.41Å; D83-Y109 PolarHBondContact N-O 3.07Å; D83-Y109 PolarHBondContact O-N 2.68Å; K85-Y109 HydrophobicContact CB-CE2 4.36Å; K85-Y109 HydrophobicContact CD-CD2 4.22Å; K85-Y109 HydrophobicContact CD-CE2 3.6Å; K85-Y109 HydrophobicContact CG-CD2 4.16Å; K85-Y109 HydrophobicContact CG-CE2 3.84Å; Q107-Y109 HydrophobicContact CB-CD2 4.47Å; Q107-Y109 HydrophobicContact CB-CE2 3.63Å; Q107-Y109 VanDerWaalsContact CD-OH 3.25Å; Q107-Y109 PolarHBondContact NE2-OH 2.85Å; Q107-Y109 PolarHBondContact OE1-OH 3.38Å; Y109-N111 PolarHBondContact O-N 3Å
110F97.6Very high96.1Very high45 Ų4552.5 Ų52.520%0.19727%0.265CS..EExtended strand (participates in β ladder)trans-63.8131.8-179.6-177.2-116.8000111.2T81 F82 P112 S115 G117 E119T81-F110 WeakPolarHBondContact O-CD2 3.39Å; F82-F110 VanDerWaalsContact CD1-CA 3.46Å; F82-F110 HydrophobicContact CD1-CB 3.89Å; F82-F110 HydrophobicContact CD1-CD2 4.17Å; F82-F110 HydrophobicContact CD2-CD2 4.32Å; F82-F110 HydrophobicContact CE1-CB 3.6Å; F82-F110 AromaticContact CE1-CD2 3.69Å; F82-F110 HydrophobicContact CE1-CD2 3.69Å; F82-F110 HydrophobicContact CE1-CG 4.09Å; F82-F110 AromaticContact CE2-CD2 3.87Å; F82-F110 HydrophobicContact CE2-CD2 3.87Å; F82-F110 HydrophobicContact CE2-CE2 4.4Å; F82-F110 HydrophobicContact CG-CD2 4.45Å; F82-F110 HydrophobicContact CZ-CB 4.31Å; F82-F110 AromaticContact CZ-CD2 3.54Å; F82-F110 HydrophobicContact CZ-CD2 3.54Å; F82-F110 HydrophobicContact CZ-CE2 4.32Å; F82-F110 HydrophobicContact CZ-CG 4.32Å; F110-P112 HydrophobicContact CD1-CB 4.41Å; F110-P112 HydrophobicContact CE1-CB 3.92Å; F110-P112 WeakPolarHBondContact O-CD 3.43Å; F110-S115 VanDerWaalsContact CE2-OG 3.25Å; F110-S115 WeakPolarHBondContact CE2-OG 3.38Å; F110-S115 WeakPolarHBondContact CZ-OG 3.49Å; F110-G117 WeakPolarHBondContact CZ-O 3.23Å; F110-E119 HydrophobicContact CB-CG 4.23Å; F110-E119 WeakPolarHBondContact CB-OE2 3.31Å; F110-E119 HydrophobicContact CD1-CG 3.9Å; F110-E119 HydrophobicContact CD2-CG 3.52Å; F110-E119 HydrophobicContact CE1-CG 4.11Å; F110-E119 HydrophobicContact CE2-CG 3.75Å; F110-E119 HydrophobicContact CG-CG 3.6Å; F110-E119 HydrophobicContact CZ-CG 4.04Å
111N97.3Very high96.2Very high24 Ų2455 Ų5513%0.12828%0.278CS..  trans-11195179.8-169.6-29.5000109.6T81 D83 Y109 N113 L114 S115T81-N111 HydrophobicContact CG2-CB 4.28Å; T81-N111 PolarHBondContact O-N 3.1Å; D83-N111 PolarHBondContact OD1-ND2 2.83Å; D83-N111 VanDerWaalsContact OD1-ND2 3.1Å; D83-N111 PolarHBondContact OD2-ND2 3.41Å; Y109-N111 PolarHBondContact O-N 3Å; N111-N113 VanDerWaalsContact C-N 3.27Å; N111-N113 PolarHBondContact O-N 2.9Å; N111-N113 PolarHBondContact OD1-N 3.34Å; N111-L114 PolarHBondContact O-N 2.92Å; N111-L114 PolarHBondContact OD1-N 3.03Å; N111-S115 WeakPolarHBondContact O-CB 3.49Å; N111-S115 PolarHBondContact O-N 2.8Å; N111-S115 PolarHBondContact O-OG 2.93Å
112P96.7Very high96.3Very high66 Ų6658.7 Ų58.743%0.42930%0.299SS..G310 helixtrans-67.1-27.8-176.226.5-34.4000112.9F110 L114 S115F110-P112 HydrophobicContact CD1-CB 4.41Å; F110-P112 HydrophobicContact CE1-CB 3.92Å; F110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-L114 VanDerWaalsContact C-N 3.31Å; P112-L114 PolarHBondContact O-N 2.97Å; P112-S115 PolarHBondContact O-N 3.06Å
113N97.1Very high96.5Very high149 Ų14958.7 Ų58.780%0.79730%0.299SS*.G310 helixtrans-72.3-27.5-176.8-63.8-23.6000112.7N111N111-N113 VanDerWaalsContact C-N 3.27Å; N111-N113 PolarHBondContact O-N 2.9Å; N111-N113 PolarHBondContact OD1-N 3.34Å
114L96.8Very high96.6Very high87 Ų8758 Ų5846%0.45530%0.298SS..G310 helixtrans-103.410.1177.3-61-178.6000112.2M52 T81 N111 P112M52-L114 HydrophobicContact SD-CD1 3.65Å; T81-L114 WeakPolarHBondContact CB-O 3.45Å; T81-L114 HydrophobicContact CG2-CB 3.84Å; T81-L114 HydrophobicContact CG2-CD1 4.33Å; T81-L114 PolarHBondContact OG1-O 2.88Å; N111-L114 PolarHBondContact O-N 2.92Å; N111-L114 PolarHBondContact OD1-N 3.03Å; P112-L114 VanDerWaalsContact C-N 3.31Å; P112-L114 PolarHBondContact O-N 2.97Å
115S98.1Very high96.7Very high19 Ų1957.7 Ų57.713%0.13330%0.296CS..SBendtrans-107.9147178.9-62.80000110.8P79 T81 F110 N111 P112 G117P79-S115 CarbonylContact O-C 3.56Å; P79-S115 VanDerWaalsContact O-CA 3.27Å; P79-S115 WeakPolarHBondContact O-CA 3.31Å; T81-S115 PolarHBondContact N-OG 2.83Å; F110-S115 VanDerWaalsContact CE2-OG 3.25Å; F110-S115 WeakPolarHBondContact CE2-OG 3.38Å; F110-S115 WeakPolarHBondContact CZ-OG 3.49Å; N111-S115 WeakPolarHBondContact O-CB 3.49Å; N111-S115 PolarHBondContact O-N 2.8Å; N111-S115 PolarHBondContact O-OG 2.93Å; P112-S115 PolarHBondContact O-N 3.06Å; S115-G117 VanDerWaalsContact C-N 3.25Å; S115-G117 WeakPolarHBondContact CB-O 3.39Å; S115-G117 PolarHBondContact O-N 3.45Å
116I97.4Very high96.8Very high116 Ų11655.6 Ų55.660%0.59529%0.288SS*.SBendtrans-70.3-24.3176-166.8168000112.8P79 Y80P79-I116 PolarHBondContact O-N 2.8Å; Y80-I116 HydrophobicContact CE1-CG2 4.49Å
117G95.9Very high96.9Very high18 Ų1855 Ų5519%0.18629%0.286CS..SBendtrans-160.9-156.7-174.900000111.7F110 S115 D121F110-G117 WeakPolarHBondContact CZ-O 3.23Å; S115-G117 VanDerWaalsContact C-N 3.25Å; S115-G117 WeakPolarHBondContact CB-O 3.39Å; S115-G117 PolarHBondContact O-N 3.45Å; G117-D121 VanDerWaalsContact CA-OD2 3.28Å; G117-D121 WeakPolarHBondContact CA-OD2 3.46Å
118H96.3Very high96.8Very high124 Ų12454.6 Ų54.657%0.57428%0.284SS*.  trans-106.7159.5-173.8-72.2-75.4000112.6Y80 N120 D121Y80-H118 WeakPolarHBondContact CE1-O 3.35Å; H118-N120 PolarHBondContact O-N 3.26Å; H118-D121 PolarHBondContact N-OD1 2.96Å; H118-D121 PolarHBondContact N-OD2 3.4Å; H118-D121 VanDerWaalsContact O-CB 3.29Å; H118-D121 WeakPolarHBondContact O-CB 3.3Å; H118-D121 PolarHBondContact O-N 2.95Å
119E95.9Very high96.7Very high41 Ų4153.5 Ų53.519%0.19228%0.28CS..THydrogen-bonded Turntrans-61.5-13.1173.5-61.6-175.583.300113.6F82 F110 D121 I165 K166 W170F82-E119 HydrophobicContact CE1-CG 4.42Å; F82-E119 WeakPolarHBondContact CE1-OE1 3.32Å; F82-E119 HydrophobicContact CZ-CG 3.98Å; F82-E119 WeakPolarHBondContact CZ-OE1 3.25Å; F110-E119 HydrophobicContact CB-CG 4.23Å; F110-E119 WeakPolarHBondContact CB-OE2 3.31Å; F110-E119 HydrophobicContact CD1-CG 3.9Å; F110-E119 HydrophobicContact CD2-CG 3.52Å; F110-E119 HydrophobicContact CE1-CG 4.11Å; F110-E119 HydrophobicContact CE2-CG 3.75Å; F110-E119 HydrophobicContact CG-CG 3.6Å; F110-E119 HydrophobicContact CZ-CG 4.04Å; E119-D121 VanDerWaalsContact C-N 3.35Å; E119-I165 WeakPolarHBondContact O-CB 3.47Å; E119-I165 PolarHBondContact O-N 3.28Å; E119-K166 HydrophobicContact CB-CB 4.02Å; E119-K166 WeakPolarHBondContact O-CB 3.42Å; E119-K166 PolarHBondContact O-N 2.99Å; E119-W170 PolarHBondContact OE1-NE1 2.93Å; E119-W170 VanDerWaalsContact OE1-NE1 3.1Å
120N97.5Very high96.5Very high114 Ų11449.2 Ų49.261%0.6126%0.263SS*.THydrogen-bonded Turntrans-87.5-3.6176.2-66.3-24.6000113.3H118 T164H118-N120 PolarHBondContact O-N 3.26Å; N120-T164 WeakPolarHBondContact O-CG2 3.45Å
121D98Very high96.3Very high53 Ų5347.2 Ų47.228%0.28326%0.255SS..  trans-61.8143.5178-67-5.2000110.4Y80 G117 H118 E119 T164 I165Y80-D121 HydrophobicContact CE1-CB 4.06Å; Y80-D121 WeakPolarHBondContact CE1-OD2 3.15Å; Y80-D121 VanDerWaalsContact OH-CB 3.31Å; Y80-D121 WeakPolarHBondContact OH-CB 3.44Å; Y80-D121 PolarHBondContact OH-OD2 3.02Å; G117-D121 VanDerWaalsContact CA-OD2 3.28Å; G117-D121 WeakPolarHBondContact CA-OD2 3.46Å; H118-D121 PolarHBondContact N-OD1 2.96Å; H118-D121 PolarHBondContact N-OD2 3.4Å; H118-D121 VanDerWaalsContact O-CB 3.29Å; H118-D121 WeakPolarHBondContact O-CB 3.3Å; H118-D121 PolarHBondContact O-N 2.95Å; E119-D121 VanDerWaalsContact C-N 3.35Å; D121-T164 CarbonylContact O-C 3.53Å; D121-T164 VanDerWaalsContact O-CA 3.23Å; D121-T164 WeakPolarHBondContact O-CA 2.95Å; D121-I165 HydrophobicContact CB-CG1 4.3Å; D121-I165 PolarHBondContact O-N 2.86Å
122L98.2Very high96Very high112 Ų11246.6 Ų46.659%0.58625%0.253SS*.EExtended strand (participates in β ladder)trans-95135.9-170.6-63.1171000111.2I162 T164L122-I162 HydrophobicContact CB-CG2 3.85Å; L122-I162 HydrophobicContact CD1-CG2 4.43Å; L122-I162 HydrophobicContact CD2-CG2 3.96Å; L122-I162 HydrophobicContact CG-CG2 4.3Å; L122-T164 HydrophobicContact CD2-CG2 3.82Å
123I98Very high95.7Very high0 Ų044.4 Ų44.40%024%0.237CC..EExtended strand (participates in β ladder)trans-119.4123.1173.7-58-60.5000109.4F57 L77 H125 I162 K163 I165 L168F57-I123 HydrophobicContact CB-CD1 3.78Å; F57-I123 HydrophobicContact CB-CG1 4.03Å; F57-I123 HydrophobicContact CB-CG2 4.49Å; F57-I123 HydrophobicContact CD1-CG1 4.47Å; F57-I123 HydrophobicContact CG-CD1 4.48Å; F57-I123 HydrophobicContact CG-CG1 4.26Å; L77-I123 HydrophobicContact CB-CD1 4.22Å; L77-I123 HydrophobicContact CD1-CD1 3.51Å; L77-I123 HydrophobicContact CG-CD1 4.42Å; I123-H125 HydrophobicContact CG2-CB 4.22Å; I123-I162 WeakPolarHBondContact O-CA 3.33Å; I123-K163 PolarHBondContact N-O 2.91Å; I123-K163 PolarHBondContact O-N 3.21Å; I123-K163 VanDerWaalsContact O-N 3.15Å; I123-I165 HydrophobicContact CD1-CD1 3.87Å; I123-I165 HydrophobicContact CG1-CD1 3.47Å; I123-I165 VanDerWaalsContact CG1-CD1 3.47Å; I123-I165 HydrophobicContact CG1-CG1 4.39Å; I123-L168 HydrophobicContact CB-CD1 3.82Å; I123-L168 HydrophobicContact CG1-CD1 4.07Å; I123-L168 HydrophobicContact CG2-CD1 4.16Å
124T98.2Very high95.4Very high27 Ų2737.8 Ų37.817%0.16620%0.204CC..EExtended strand (participates in β ladder)trans-82.4116.4166.6-56.20000108.6N59 I60 P63 I160N59-T124 WeakPolarHBondContact OD1-CA 3.24Å; N59-T124 VanDerWaalsContact OD1-CB 3.31Å; N59-T124 WeakPolarHBondContact OD1-CB 3.46Å; N59-T124 PolarHBondContact OD1-N 2.83Å; I60-T124 HydrophobicContact CB-CG2 4.36Å; I60-T124 PolarHBondContact N-O 2.92Å; P63-T124 HydrophobicContact CB-CG2 4.21Å; P63-T124 HydrophobicContact CG-CG2 4.29Å; T124-I160 HydrophobicContact CG2-CG2 3.55Å
125H96.7Very high95Very high4 Ų436 Ų362%0.01920%0.197CC..EExtended strand (participates in β ladder)trans-147.1-179.7-177.271.3-35.2000110.5I123 I160 Q161 L168 L404I123-H125 HydrophobicContact CG2-CB 4.22Å; H125-I160 WeakPolarHBondContact O-CA 3.35Å; H125-Q161 VanDerWaalsContact CE1-CD 3.44Å; H125-Q161 WeakPolarHBondContact CE1-CG 3.45Å; H125-Q161 PolarHBondContact CE1-NE2 2.82Å; H125-Q161 PolarHBondContact N-O 3.08Å; H125-Q161 PolarHBondContact ND1-O 2.95Å; H125-Q161 PolarHBondContact NE2-NE2 2.9Å; H125-Q161 PolarHBondContact O-N 3.35Å; H125-L168 WeakPolarHBondContact NE2-CD2 3.29Å; H125-L404 HydrophobicContact CB-CD1 4.11Å
126V95.7Very high94.4Very high2 Ų238.4 Ų38.41%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-79.5150174.1-640000112.1I60 F66 L128 V131 L159 I160 V383 I385 L402I60-V126 HydrophobicContact CD1-CG1 4.22Å; F66-V126 HydrophobicContact CE1-CG1 4.15Å; V126-L128 HydrophobicContact CG2-CD2 4.31Å; V126-L128 PolarHBondContact O-N 2.89Å; V126-L128 VanDerWaalsContact O-N 3.1Å; V126-V131 HydrophobicContact CB-CG2 4.4Å; V126-V131 HydrophobicContact CG2-CG2 4.45Å; V126-L159 CarbonylContact C-O 3.23Å; V126-L159 VanDerWaalsContact CA-O 3.31Å; V126-L159 WeakPolarHBondContact CA-O 3.44Å; V126-L159 HydrophobicContact CB-CD1 4.11Å; V126-L159 HydrophobicContact CB-CG 4.37Å; V126-L159 HydrophobicContact CG1-CD1 4.21Å; V126-L159 HydrophobicContact CG1-CD2 4.4Å; V126-L159 HydrophobicContact CG1-CG 4.07Å; V126-I160 HydrophobicContact CG1-CD1 4.17Å; V126-V383 HydrophobicContact CG2-CB 4.28Å; V126-V383 HydrophobicContact CG2-CG1 4.01Å; V126-V383 HydrophobicContact CG2-CG2 4.32Å; V126-I385 HydrophobicContact CB-CD1 4.48Å; V126-I385 HydrophobicContact CG1-CD1 3.81Å; V126-I385 HydrophobicContact CG2-CD1 4.28Å; V126-L402 HydrophobicContact CB-CD2 4.43Å; V126-L402 HydrophobicContact CG1-CD2 3.54Å; V126-L402 HydrophobicContact CG2-CD2 4.05Å
127N94.9Very high93.9Very high9 Ų932.9 Ų32.95%0.04818%0.176CC..  trans-70.9105.5175.8-176-40.5000109.5G129 F130 V131 L159 Q161 D174N127-G129 VanDerWaalsContact C-N 3.34Å; N127-G129 PolarHBondContact O-N 2.95Å; N127-G129 PolarHBondContact OD1-N 2.86Å; N127-F130 HydrophobicContact CB-CB 3.78Å; N127-F130 PolarHBondContact O-N 3.44Å; N127-F130 WeakPolarHBondContact OD1-CB 3.36Å; N127-F130 PolarHBondContact OD1-N 3.03Å; N127-V131 WeakPolarHBondContact O-CB 3.21Å; N127-V131 VanDerWaalsContact O-CG2 3.25Å; N127-V131 WeakPolarHBondContact O-CG2 3.02Å; N127-V131 PolarHBondContact O-N 3.23Å; N127-L159 PolarHBondContact N-O 3.44Å; N127-Q161 HydrophobicContact CB-CB 4.44Å; N127-Q161 HydrophobicContact CB-CG 3.82Å; N127-Q161 PolarHBondContact ND2-OE1 3.16Å; N127-D174 PolarHBondContact ND2-OD2 2.81Å; N127-D174 PolarHBondContact OD1-OD2 3.22Å
128L94.5Very high93.2Very high20 Ų2038.3 Ų38.311%0.10520%0.201CC..Hα-helixtrans-64.8-37.8-174.7-57.9-178.8000112V126 A132 I192 V383 L404V126-L128 HydrophobicContact CG2-CD2 4.31Å; V126-L128 PolarHBondContact O-N 2.89Å; V126-L128 VanDerWaalsContact O-N 3.1Å; L128-A132 VanDerWaalsContact O-CB 3.25Å; L128-A132 WeakPolarHBondContact O-CB 3.49Å; L128-A132 PolarHBondContact O-N 2.88Å; L128-I192 HydrophobicContact CB-CD1 4.07Å; L128-I192 HydrophobicContact CB-CG2 3.98Å; L128-I192 HydrophobicContact CD1-CG2 3.77Å; L128-V383 HydrophobicContact CD2-CG1 4.41Å; L128-V383 HydrophobicContact CD2-CG2 3.54Å; L128-L404 HydrophobicContact CD1-CD2 4.03Å; L128-L404 HydrophobicContact CD2-CD2 4.1Å
129G93Very high92.6Very high0 Ų037.9 Ų37.90%021%0.207CC..Hα-helixtrans-68.8-45.3179.200000111.5N127 A132 I133N127-G129 VanDerWaalsContact C-N 3.34Å; N127-G129 PolarHBondContact O-N 2.95Å; N127-G129 PolarHBondContact OD1-N 2.86Å; G129-A132 WeakPolarHBondContact O-CB 3.21Å; G129-A132 PolarHBondContact O-N 2.88Å; G129-I133 WeakPolarHBondContact O-CG1 3.13Å; G129-I133 PolarHBondContact O-N 2.92Å; G129-I133 VanDerWaalsContact O-N 3.08Å
130F92.3Very high92.2Very high4 Ų438.7 Ų38.72%0.01821%0.213CC..Hα-helixtrans-57.5-50.5173.4-176.6-102.9000112.2N127 A132 I133 A134 E152 L159 F176 I391 Q393 L394N127-F130 HydrophobicContact CB-CB 3.78Å; N127-F130 PolarHBondContact O-N 3.44Å; N127-F130 WeakPolarHBondContact OD1-CB 3.36Å; N127-F130 PolarHBondContact OD1-N 3.03Å; F130-A132 VanDerWaalsContact C-N 3.31Å; F130-A132 PolarHBondContact O-N 3.29Å; F130-I133 PolarHBondContact O-N 2.82Å; F130-A134 WeakPolarHBondContact O-CB 3.43Å; F130-A134 PolarHBondContact O-N 3.09Å; F130-E152 HydrophobicContact CE2-CB 4.42Å; F130-E152 HydrophobicContact CE2-CG 3.66Å; F130-E152 HydrophobicContact CZ-CG 3.91Å; F130-L159 HydrophobicContact CD1-CD1 3.97Å; F130-L159 HydrophobicContact CE1-CD1 4.3Å; F130-F176 HydrophobicContact CB-CD1 4.19Å; F130-F176 AromaticContact CD2-CD1 3.93Å; F130-F176 HydrophobicContact CD2-CD1 3.93Å; F130-F176 HydrophobicContact CD2-CD2 4.42Å; F130-F176 AromaticContact CD2-CE1 3.67Å; F130-F176 HydrophobicContact CD2-CE1 3.67Å; F130-F176 HydrophobicContact CD2-CE2 4.21Å; F130-F176 HydrophobicContact CD2-CG 4.27Å; F130-F176 AromaticContact CD2-CZ 3.81Å; F130-F176 HydrophobicContact CD2-CZ 3.81Å; F130-F176 HydrophobicContact CE2-CE1 4.38Å; F130-F176 HydrophobicContact CE2-CE2 4.48Å; F130-F176 HydrophobicContact CE2-CZ 4.12Å; F130-I391 HydrophobicContact CE1-CG2 4.08Å; F130-I391 HydrophobicContact CE2-CG2 4.46Å; F130-I391 HydrophobicContact CZ-CG2 3.47Å; F130-I391 VanDerWaalsContact CZ-CG2 3.47Å; F130-Q393 HydrophobicContact CE1-CB 3.93Å; F130-Q393 HydrophobicContact CE1-CG 4.47Å; F130-Q393 HydrophobicContact CZ-CB 3.95Å; F130-Q393 HydrophobicContact CZ-CG 4.19Å; F130-L394 HydrophobicContact CE1-CD1 4.49Å; F130-L394 HydrophobicContact CE1-CD2 4.4Å; F130-L394 HydrophobicContact CE1-CG 4.22Å
131V93.3Very high91.7Very high2 Ų236.9 Ų36.91%0.01221%0.207CC..Hα-helixtrans-64-37.5178.7176.20000111.2V126 N127 I133 A134 T135 L159 P330 V383 I384 I385V126-V131 HydrophobicContact CB-CG2 4.4Å; V126-V131 HydrophobicContact CG2-CG2 4.45Å; N127-V131 WeakPolarHBondContact O-CB 3.21Å; N127-V131 VanDerWaalsContact O-CG2 3.25Å; N127-V131 WeakPolarHBondContact O-CG2 3.02Å; N127-V131 PolarHBondContact O-N 3.23Å; V131-I133 VanDerWaalsContact C-N 3.34Å; V131-I133 PolarHBondContact O-N 3Å; V131-A134 PolarHBondContact O-N 2.86Å; V131-T135 HydrophobicContact CG1-CG2 4.32Å; V131-T135 WeakPolarHBondContact O-CG2 3.19Å; V131-T135 PolarHBondContact O-N 3.43Å; V131-T135 PolarHBondContact O-OG1 2.78Å; V131-L159 HydrophobicContact CG2-CD1 3.57Å; V131-P330 HydrophobicContact CB-CG 4.39Å; V131-P330 HydrophobicContact CG1-CB 4.17Å; V131-P330 HydrophobicContact CG1-CG 3.9Å; V131-V383 HydrophobicContact CB-CG1 4.35Å; V131-V383 HydrophobicContact CG1-CG1 3.74Å; V131-I384 WeakPolarHBondContact CG1-O 3.39Å; V131-I385 HydrophobicContact CG1-CG1 4.45Å
132A92.1Very high91.2Very high11 Ų1144.1 Ų44.19%0.09123%0.23CC..Hα-helixtrans-60.6-4317700000112L128 G129 F130 T135 P330L128-A132 VanDerWaalsContact O-CB 3.25Å; L128-A132 WeakPolarHBondContact O-CB 3.49Å; L128-A132 PolarHBondContact O-N 2.88Å; G129-A132 WeakPolarHBondContact O-CB 3.21Å; G129-A132 PolarHBondContact O-N 2.88Å; F130-A132 VanDerWaalsContact C-N 3.31Å; F130-A132 PolarHBondContact O-N 3.29Å; A132-T135 PolarHBondContact O-OG1 3.19Å; A132-P330 HydrophobicContact CB-CG 4.03Å
133I91Very high90.7Very high20 Ų2042 Ų4210%0.10322%0.222CC..Hα-helixtrans-69-45.4175.1-63-61.2000110.8G129 F130 V131 T135 K136 L137 I148 F176 L177 L180 I187G129-I133 WeakPolarHBondContact O-CG1 3.13Å; G129-I133 PolarHBondContact O-N 2.92Å; G129-I133 VanDerWaalsContact O-N 3.08Å; F130-I133 PolarHBondContact O-N 2.82Å; V131-I133 VanDerWaalsContact C-N 3.34Å; V131-I133 PolarHBondContact O-N 3Å; I133-T135 VanDerWaalsContact C-N 3.29Å; I133-T135 PolarHBondContact O-N 2.87Å; I133-K136 PolarHBondContact O-N 2.04Å; I133-L137 HydrophobicContact CG2-CD2 4.19Å; I133-L137 PolarHBondContact O-N 2.93Å; I133-L137 VanDerWaalsContact O-N 3.1Å; I133-I148 HydrophobicContact CG2-CD1 3.87Å; I133-I148 HydrophobicContact CG2-CG2 4.01Å; I133-F176 HydrophobicContact CB-CE1 3.97Å; I133-F176 HydrophobicContact CG1-CD1 4.39Å; I133-F176 HydrophobicContact CG1-CE1 4.04Å; I133-F176 HydrophobicContact CG2-CE1 4.11Å; I133-L177 HydrophobicContact CD1-CD2 3.77Å; I133-L177 HydrophobicContact CG1-CD2 3.52Å; I133-L180 HydrophobicContact CD1-CD1 4.24Å; I133-L180 HydrophobicContact CG1-CD1 3.97Å; I133-L180 HydrophobicContact CG2-CD1 4.15Å; I133-I187 HydrophobicContact CD1-CD1 3.92Å
134A90.1Very high90.3Very high11 Ų1144.3 Ų44.39%0.09123%0.234CC..Hα-helixtrans-56.9-41.1-178.500000112.9F130 V131 K136 L137 I391 L394F130-A134 WeakPolarHBondContact O-CB 3.43Å; F130-A134 PolarHBondContact O-N 3.09Å; V131-A134 PolarHBondContact O-N 2.86Å; A134-K136 VanDerWaalsContact C-N 3.25Å; A134-K136 PolarHBondContact O-N 3.41Å; A134-L137 PolarHBondContact O-N 3.35Å; A134-I391 HydrophobicContact CB-CD1 3.51Å; A134-L394 HydrophobicContact CB-CD1 3.51Å
135T87.5Confident89.8Confident50 Ų5043.4 Ų43.431%0.30723%0.228SC..Hα-helixtrans-67.3-24.3177.456.20000113.5V131 A132 I133 P330V131-T135 HydrophobicContact CG1-CG2 4.32Å; V131-T135 WeakPolarHBondContact O-CG2 3.19Å; V131-T135 PolarHBondContact O-N 3.43Å; V131-T135 PolarHBondContact O-OG1 2.78Å; A132-T135 PolarHBondContact O-OG1 3.19Å; I133-T135 VanDerWaalsContact C-N 3.29Å; I133-T135 PolarHBondContact O-N 2.87Å; T135-P330 HydrophobicContact CG2-CB 3.92Å
136K86.6Confident89.3Confident68 Ų6849.6 Ų49.630%0.29625%0.252SS..Hα-helixtrans-93.6-11.8178.9-68.7-175.6178.8-172.50114.4I133 A134 N138 T139 P327 N328I133-K136 PolarHBondContact O-N 2.04Å; A134-K136 VanDerWaalsContact C-N 3.25Å; A134-K136 PolarHBondContact O-N 3.41Å; K136-N138 PolarHBondContact O-N 2.94Å; K136-N138 VanDerWaalsContact O-N 3.08Å; K136-T139 WeakPolarHBondContact O-CB 3.46Å; K136-T139 PolarHBondContact O-N 2.84Å; K136-T139 PolarHBondContact O-OG1 3.11Å; K136-P327 WeakPolarHBondContact CE-O 3.16Å; K136-P327 PolarHBondContact NZ-O 3.26Å; K136-N328 PolarHBondContact NZ-OD1 2.83Å
137L85.8Confident88.9Confident1 Ų153 Ų531%0.00527%0.27CS..G310 helixtrans-52.2-38.6-172.5-80.4-175.5000114.7I133 A134 T139 L140 N145 I148 I391I133-L137 HydrophobicContact CG2-CD2 4.19Å; I133-L137 PolarHBondContact O-N 2.93Å; I133-L137 VanDerWaalsContact O-N 3.1Å; A134-L137 PolarHBondContact O-N 3.35Å; L137-T139 PolarHBondContact O-N 2.72Å; L137-L140 HydrophobicContact CD2-CD1 4.17Å; L137-L140 PolarHBondContact O-N 2.9Å; L137-L140 VanDerWaalsContact O-N 3.17Å; L137-N145 WeakPolarHBondContact CD2-OD1 3.46Å; L137-N145 PolarHBondContact O-ND2 3.06Å; L137-I148 HydrophobicContact CD2-CB 4.1Å; L137-I148 HydrophobicContact CD2-CD1 3.58Å; L137-I148 HydrophobicContact CD2-CG1 4.45Å; L137-I148 HydrophobicContact CD2-CG2 3.96Å; L137-I391 HydrophobicContact CD1-CD1 3.28Å; L137-I391 HydrophobicContact CD1-CG1 3.71Å; L137-I391 HydrophobicContact CG-CD1 4.48Å
138N82.3Confident88.6Confident131 Ų13152.9 Ų52.970%0.70127%0.269SS*.G310 helixtrans-69.7-15.4-179.8-67.6-23.8000113.6K136K136-N138 PolarHBondContact O-N 2.94Å; K136-N138 VanDerWaalsContact O-N 3.08Å
139T83.7Confident88.2Confident115 Ų11554 Ų5471%0.70627%0.274SS*.G310 helixtrans-92.3-12.317668.90000112.7K136 L137K136-T139 WeakPolarHBondContact O-CB 3.46Å; K136-T139 PolarHBondContact O-N 2.84Å; K136-T139 PolarHBondContact O-OG1 3.11Å; L137-T139 PolarHBondContact O-N 2.72Å
140L85.9Confident87.9Confident59 Ų5957.8 Ų57.831%0.30929%0.294SS..SBendtrans-87.2151.4-177.8-63.1176.7000111.4L137 I144 I148L137-L140 HydrophobicContact CD2-CD1 4.17Å; L137-L140 PolarHBondContact O-N 2.9Å; L137-L140 VanDerWaalsContact O-N 3.17Å; L140-I144 HydrophobicContact CB-CB 4.49Å; L140-I144 HydrophobicContact CB-CG2 4.35Å; L140-I144 HydrophobicContact CD1-CG2 3.94Å; L140-I148 HydrophobicContact CD1-CD1 3.82Å
141P88.9Confident87.6Confident75 Ų7558.7 Ų58.749%0.48730%0.298SS..  trans-52.3142.9168.9-25.133.4000111.7T143 I144 N145P141-T143 PolarHBondContact O-N 2.9Å; P141-T143 VanDerWaalsContact O-N 3.13Å; P141-I144 HydrophobicContact CG-CD1 4.25Å; P141-I144 PolarHBondContact O-N 3.4Å; P141-N145 PolarHBondContact O-N 3.26Å
142W87.6Confident87.3Confident205 Ų20559 Ų5978%0.77730%0.299SS*.Hα-helixtrans-55.9-34.8-17580.2-78.4000113.6N145 Y146W142-N145 PolarHBondContact O-N 3.37Å; W142-Y146 WeakPolarHBondContact O-CB 2.96Å; W142-Y146 PolarHBondContact O-N 3.47Å
143T87.6Confident87Confident68 Ų6865 Ų6542%0.41732%0.323SS..Hα-helixtrans-63.8-43.4177.149.10000112.1P141 Y146 L147P141-T143 PolarHBondContact O-N 2.9Å; P141-T143 VanDerWaalsContact O-N 3.13Å; T143-Y146 PolarHBondContact O-N 2.76Å; T143-L147 WeakPolarHBondContact O-CG 3.36Å; T143-L147 PolarHBondContact O-N 2.03Å
144I87.8Confident86.8Confident48 Ų4872 Ų7225%0.24635%0.349CS..Hα-helixtrans-66.5-42.9176.7-64.6-176.7000109.9L140 P141 Y146 L147 I148 L185L140-I144 HydrophobicContact CB-CB 4.49Å; L140-I144 HydrophobicContact CB-CG2 4.35Å; L140-I144 HydrophobicContact CD1-CG2 3.94Å; P141-I144 HydrophobicContact CG-CD1 4.25Å; P141-I144 PolarHBondContact O-N 3.4Å; I144-Y146 PolarHBondContact O-N 3.07Å; I144-L147 PolarHBondContact O-N 3.02Å; I144-I148 HydrophobicContact CG2-CD1 3.74Å; I144-I148 HydrophobicContact CG2-CG1 4.39Å; I144-I148 VanDerWaalsContact O-CG1 3.31Å; I144-I148 WeakPolarHBondContact O-CG1 3.41Å; I144-I148 PolarHBondContact O-N 3.01Å; I144-L185 HydrophobicContact CB-CD2 4.48Å; I144-L185 HydrophobicContact CD1-CD2 4.21Å; I144-L185 HydrophobicContact CG1-CD2 4.12Å; I144-L185 HydrophobicContact CG2-CD1 4.3Å; I144-L185 HydrophobicContact CG2-CD2 3.76Å
145N87.6Confident86.5Confident9 Ų974.9 Ų74.95%0.04836%0.361CS..Hα-helixtrans-58.4-48.6177.5-163.5-1.8000111.1L137 P141 W142 L147 I148 E149L137-N145 WeakPolarHBondContact CD2-OD1 3.46Å; L137-N145 PolarHBondContact O-ND2 3.06Å; P141-N145 PolarHBondContact O-N 3.26Å; W142-N145 PolarHBondContact O-N 3.37Å; N145-L147 PolarHBondContact O-N 3.04Å; N145-I148 PolarHBondContact O-N 3.43Å; N145-E149 WeakPolarHBondContact O-CG 3.16Å; N145-E149 PolarHBondContact O-N 2.79Å; N145-E149 PolarHBondContact OD1-OE1 3.3Å
146Y87.7Confident86.3Confident134 Ų13479.5 Ų79.553%0.52538%0.379SS..Hα-helixtrans-60.1-41.2176.2-179.2-102000113.1W142 T143 I144 E149 L150W142-Y146 WeakPolarHBondContact O-CB 2.96Å; W142-Y146 PolarHBondContact O-N 3.47Å; T143-Y146 PolarHBondContact O-N 2.76Å; I144-Y146 PolarHBondContact O-N 3.07Å; Y146-E149 PolarHBondContact O-N 2.91Å; Y146-L150 HydrophobicContact CE1-CD1 4.12Å; Y146-L150 WeakPolarHBondContact O-CB 3.25Å; Y146-L150 PolarHBondContact O-N 2.84Å
147L87.5Confident86.1Confident73 Ų7377.8 Ų77.838%0.38237%0.371SS..Hα-helixtrans-63.1-41.5175.9-73.9172000111.9T143 I144 N145 L150 F151T143-L147 WeakPolarHBondContact O-CG 3.36Å; T143-L147 PolarHBondContact O-N 2.03Å; I144-L147 PolarHBondContact O-N 3.02Å; N145-L147 PolarHBondContact O-N 3.04Å; L147-L150 PolarHBondContact O-N 3.4Å; L147-F151 HydrophobicContact CB-CE2 4.24Å; L147-F151 WeakPolarHBondContact O-CD2 3.44Å; L147-F151 WeakPolarHBondContact O-CG 3.44Å; L147-F151 PolarHBondContact O-N 3.25Å
148I87.3Confident86.1Confident6 Ų684.4 Ų84.43%0.03140%0.399CS..Hα-helixtrans-64.5-44.4177.4-67.2165000110.7I133 L137 L140 I144 N145 L150 F151 E152 F176 L180 L185I133-I148 HydrophobicContact CG2-CD1 3.87Å; I133-I148 HydrophobicContact CG2-CG2 4.01Å; L137-I148 HydrophobicContact CD2-CB 4.1Å; L137-I148 HydrophobicContact CD2-CD1 3.58Å; L137-I148 HydrophobicContact CD2-CG1 4.45Å; L137-I148 HydrophobicContact CD2-CG2 3.96Å; L140-I148 HydrophobicContact CD1-CD1 3.82Å; I144-I148 HydrophobicContact CG2-CD1 3.74Å; I144-I148 HydrophobicContact CG2-CG1 4.39Å; I144-I148 VanDerWaalsContact O-CG1 3.31Å; I144-I148 WeakPolarHBondContact O-CG1 3.41Å; I144-I148 PolarHBondContact O-N 3.01Å; N145-I148 PolarHBondContact O-N 3.43Å; I148-L150 VanDerWaalsContact C-N 3.29Å; I148-L150 PolarHBondContact O-N 3.39Å; I148-F151 PolarHBondContact O-N 2.85Å; I148-E152 WeakPolarHBondContact O-CB 3.28Å; I148-E152 PolarHBondContact O-N 2.96Å; I148-F176 HydrophobicContact CG2-CZ 3.94Å; I148-L180 HydrophobicContact CG1-CD1 4.37Å; I148-L180 HydrophobicContact CG1-CD2 4.13Å; I148-L185 HydrophobicContact CD1-CD1 4.25Å; I148-L185 HydrophobicContact CG1-CD1 3.92Å
149E87Confident86.6Confident45 Ų4578.2 Ų78.221%0.2137%0.366CS..Hα-helixtrans-58-42.6174-69.6171.1-15400111.3N145 Y146 K153 K390N145-E149 WeakPolarHBondContact O-CG 3.16Å; N145-E149 PolarHBondContact O-N 2.79Å; N145-E149 PolarHBondContact OD1-OE1 3.3Å; Y146-E149 PolarHBondContact O-N 2.91Å; E149-K153 WeakPolarHBondContact O-CB 3.21Å; E149-K153 PolarHBondContact O-N 2.94Å; E149-K153 VanDerWaalsContact O-N 3.08Å; E149-K390 HydrophobicContact CG-CB 4.44Å; E149-K390 WeakPolarHBondContact OE1-CB 3.48Å; E149-K390 VanDerWaalsContact OE1-CD 3.31Å; E149-K390 WeakPolarHBondContact OE1-CD 3.4Å
150L86.6Confident87.1Confident78 Ų7873.9 Ų73.941%0.40834%0.339SS..Hα-helixtrans-67-42.7178.5-168.5145000112Y146 L147 I148 K153 Y154Y146-L150 HydrophobicContact CE1-CD1 4.12Å; Y146-L150 WeakPolarHBondContact O-CB 3.25Å; Y146-L150 PolarHBondContact O-N 2.84Å; L147-L150 PolarHBondContact O-N 3.4Å; I148-L150 VanDerWaalsContact C-N 3.29Å; I148-L150 PolarHBondContact O-N 3.39Å; L150-K153 PolarHBondContact O-N 2.84Å; L150-Y154 WeakPolarHBondContact O-CB 3.46Å; L150-Y154 PolarHBondContact O-N 2.84Å
151F85.6Confident87.6Confident23 Ų2372.2 Ų72.210%0.10133%0.329CS..Hα-helixtrans-67-40.9176.9-68.6-42.7000112.6L147 I148 K153 Y154 H155 L179 L180 Y183L147-F151 HydrophobicContact CB-CE2 4.24Å; L147-F151 WeakPolarHBondContact O-CD2 3.44Å; L147-F151 WeakPolarHBondContact O-CG 3.44Å; L147-F151 PolarHBondContact O-N 3.25Å; I148-F151 PolarHBondContact O-N 2.85Å; F151-K153 VanDerWaalsContact C-N 3.33Å; F151-K153 PolarHBondContact O-N 3.49Å; F151-Y154 PolarHBondContact O-N 3.18Å; F151-H155 WeakPolarHBondContact O-CB 3.49Å; F151-H155 PolarHBondContact O-CD2 2.83Å; F151-H155 PolarHBondContact O-N 2.97Å; F151-L179 HydrophobicContact CB-CD2 4.18Å; F151-L179 HydrophobicContact CD2-CD2 4.48Å; F151-L179 HydrophobicContact CG-CD2 4.19Å; F151-L180 HydrophobicContact CD2-CD2 3.8Å; F151-Y183 HydrophobicContact CD1-CD2 4.5Å; F151-Y183 HydrophobicContact CD1-CE2 4.28Å; F151-Y183 AromaticContact CE1-CD1 3.94Å; F151-Y183 HydrophobicContact CE1-CD1 3.94Å; F151-Y183 AromaticContact CE1-CD2 3.96Å; F151-Y183 HydrophobicContact CE1-CD2 3.96Å; F151-Y183 AromaticContact CE1-CE1 3.81Å; F151-Y183 HydrophobicContact CE1-CE1 3.81Å; F151-Y183 AromaticContact CE1-CE2 3.84Å; F151-Y183 HydrophobicContact CE1-CE2 3.84Å; F151-Y183 HydrophobicContact CE1-CG 4.02Å; F151-Y183 AromaticContact CE1-CZ 3.75Å; F151-Y183 HydrophobicContact CE2-CD1 4.41Å; F151-Y183 HydrophobicContact CE2-CD2 4.14Å; F151-Y183 AromaticContact CE2-CG 3.93Å; F151-Y183 HydrophobicContact CE2-CG 3.93Å; F151-Y183 AromaticContact CZ-CD1 3.51Å; F151-Y183 HydrophobicContact CZ-CD1 3.51Å; F151-Y183 AromaticContact CZ-CD2 3.77Å; F151-Y183 HydrophobicContact CZ-CD2 3.77Å; F151-Y183 AromaticContact CZ-CE1 3.89Å; F151-Y183 HydrophobicContact CZ-CE1 3.89Å; F151-Y183 HydrophobicContact CZ-CE2 4.12Å; F151-Y183 AromaticContact CZ-CG 3.45Å; F151-Y183 HydrophobicContact CZ-CG 3.45Å; F151-Y183 VanDerWaalsContact CZ-CG 3.45Å
152E87.2Confident88Confident8 Ų873.2 Ų73.24%0.03733%0.329CS..Hα-helixtrans-55.6-50.3174.1179.7-102.1176.900110.9F130 I148 H156 Y157 I391 E392 Q393F130-E152 HydrophobicContact CE2-CB 4.42Å; F130-E152 HydrophobicContact CE2-CG 3.66Å; F130-E152 HydrophobicContact CZ-CG 3.91Å; I148-E152 WeakPolarHBondContact O-CB 3.28Å; I148-E152 PolarHBondContact O-N 2.96Å; E152-H156 PolarHBondContact O-N 3.43Å; E152-H156 VanDerWaalsContact O-N 3.09Å; E152-Y157 PolarHBondContact O-N 2.68Å; E152-I391 HydrophobicContact CG-CG2 4.34Å; E152-E392 WeakPolarHBondContact OE1-CB 3.29Å; E152-E392 PolarHBondContact OE1-N 3.25Å; E152-Q393 WeakPolarHBondContact OE1-CG 3.47Å; E152-Q393 PolarHBondContact OE1-N 2.77Å
153K85.9Confident88.4Confident137 Ų13764.7 Ų64.760%0.59630%0.298SS*.Hα-helixtrans-67-45.3179.2-171177.1-177-179.30113E149 L150 F151 H156E149-K153 WeakPolarHBondContact O-CB 3.21Å; E149-K153 PolarHBondContact O-N 2.94Å; E149-K153 VanDerWaalsContact O-N 3.08Å; L150-K153 PolarHBondContact O-N 2.84Å; F151-K153 VanDerWaalsContact C-N 3.33Å; F151-K153 PolarHBondContact O-N 3.49Å; K153-H156 PolarHBondContact O-N 2.7Å; K153-H156 PolarHBondContact O-ND1 2.81Å
154Y86.3Confident88.9Confident167 Ų16762.6 Ų62.666%0.65529%0.285SS*.Hα-helixtrans-67.7-40.1-176.5-177.9-97.5000112.5L150 F151L150-Y154 WeakPolarHBondContact O-CB 3.46Å; L150-Y154 PolarHBondContact O-N 2.84Å; F151-Y154 PolarHBondContact O-N 3.18Å
155H84.4Confident89.4Confident73 Ų7360.3 Ų60.334%0.33827%0.273SS..THydrogen-bonded Turntrans-900.9179.5-71.5-76.3000113.7F151 Y157F151-H155 WeakPolarHBondContact O-CB 3.49Å; F151-H155 PolarHBondContact O-CD2 2.83Å; F151-H155 PolarHBondContact O-N 2.97Å; H155-Y157 HydrophobicContact CB-CD2 3.57Å; H155-Y157 HydrophobicContact CB-CE2 3.56Å; H155-Y157 PolarHBondContact O-N 2.77Å
156H83.1Confident89.9Confident146 Ų14665.2 Ų65.268%0.67629%0.294SS*.THydrogen-bonded Turntrans49.543.8-177.9-59.6-67.3000112.9E152 K153 K158E152-H156 PolarHBondContact O-N 3.43Å; E152-H156 VanDerWaalsContact O-N 3.09Å; K153-H156 PolarHBondContact O-N 2.7Å; K153-H156 PolarHBondContact O-ND1 2.81Å; H156-K158 PolarHBondContact O-N 3.43Å
157Y82.4Confident90.3Very high33 Ų3362.1 Ų62.113%0.12928%0.284CS..  trans-62.1135-180-93-78.2000110.4E152 H155 E175 F176 L179 Q393E152-Y157 PolarHBondContact O-N 2.68Å; H155-Y157 HydrophobicContact CB-CD2 3.57Å; H155-Y157 HydrophobicContact CB-CE2 3.56Å; H155-Y157 PolarHBondContact O-N 2.77Å; Y157-E175 HydrophobicContact CE1-CB 4.22Å; Y157-E175 PolarHBondContact OH-O 3.11Å; Y157-F176 HydrophobicContact CD1-CB 4.01Å; Y157-F176 HydrophobicContact CD1-CD2 4.09Å; Y157-F176 HydrophobicContact CD1-CG 4.43Å; Y157-F176 AromaticContact CD2-CD2 3.55Å; Y157-F176 HydrophobicContact CD2-CD2 3.55Å; Y157-F176 HydrophobicContact CD2-CE2 4.08Å; Y157-F176 HydrophobicContact CE1-CB 3.72Å; Y157-F176 HydrophobicContact CE1-CD2 4.22Å; Y157-F176 HydrophobicContact CE1-CG 4.46Å; Y157-F176 AromaticContact CE2-CD2 3.69Å; Y157-F176 HydrophobicContact CE2-CD2 3.69Å; Y157-F176 HydrophobicContact CE2-CE2 4.48Å; Y157-F176 AromaticContact CG-CD2 3.76Å; Y157-F176 HydrophobicContact CG-CD2 3.76Å; Y157-F176 HydrophobicContact CG-CE2 4.39Å; Y157-F176 HydrophobicContact CG-CG 4.5Å; Y157-L179 HydrophobicContact CE2-CD1 4.16Å; Y157-Q393 VanDerWaalsContact O-CD 3.3Å; Y157-Q393 WeakPolarHBondContact O-CG 3.31Å
158K86.4Confident90.8Very high140 Ų14058.8 Ų58.861%0.60927%0.267SS*.  trans-100.6140.7-179-65.4-176-179.9-179.20110.4H156 I160H156-K158 PolarHBondContact O-N 3.43Å; K158-I160 VanDerWaalsContact C-N 3.26Å; K158-I160 PolarHBondContact O-N 2.95Å
159L92.2Very high91.2Very high0 Ų058.5 Ų58.50%027%0.265CS..SBendtrans-62.8-36.2170.5176.165.4000111.7F66 V126 N127 F130 V131 Q393 L394 L397F66-L159 HydrophobicContact CE1-CD2 4.47Å; V126-L159 CarbonylContact C-O 3.23Å; V126-L159 VanDerWaalsContact CA-O 3.31Å; V126-L159 WeakPolarHBondContact CA-O 3.44Å; V126-L159 HydrophobicContact CB-CD1 4.11Å; V126-L159 HydrophobicContact CB-CG 4.37Å; V126-L159 HydrophobicContact CG1-CD1 4.21Å; V126-L159 HydrophobicContact CG1-CD2 4.4Å; V126-L159 HydrophobicContact CG1-CG 4.07Å; N127-L159 PolarHBondContact N-O 3.44Å; F130-L159 HydrophobicContact CD1-CD1 3.97Å; F130-L159 HydrophobicContact CE1-CD1 4.3Å; V131-L159 HydrophobicContact CG2-CD1 3.57Å; L159-Q393 HydrophobicContact CB-CB 4.07Å; L159-Q393 VanDerWaalsContact N-OE1 3.13Å; L159-L394 HydrophobicContact CD1-CD2 3.95Å; L159-L394 HydrophobicContact CD2-CD2 3.98Å; L159-L397 HydrophobicContact CD2-CD1 3.33Å
160I95Very high91.7Very high25 Ų2558.9 Ų58.913%0.12827%0.265CS..EExtended strand (participates in β ladder)trans-89.1134.6-178.6-58.5-65.8000110I60 P63 F66 Q67 T124 H125 V126 K158I60-I160 HydrophobicContact CD1-CD1 3.88Å; P63-I160 HydrophobicContact CB-CB 4.36Å; P63-I160 HydrophobicContact CB-CD1 4.14Å; P63-I160 HydrophobicContact CB-CG1 3.87Å; P63-I160 HydrophobicContact CB-CG2 3.83Å; F66-I160 HydrophobicContact CD1-CD1 4.24Å; Q67-I160 VanDerWaalsContact CD-CG1 3.48Å; Q67-I160 HydrophobicContact CG-CD1 4.45Å; Q67-I160 HydrophobicContact CG-CG1 3.72Å; T124-I160 HydrophobicContact CG2-CG2 3.55Å; H125-I160 WeakPolarHBondContact O-CA 3.35Å; V126-I160 HydrophobicContact CG1-CD1 4.17Å; K158-I160 VanDerWaalsContact C-N 3.26Å; K158-I160 PolarHBondContact O-N 2.95Å
161Q94.8Very high92.1Very high23 Ų2356.3 Ų56.311%0.10726%0.258CS..EExtended strand (participates in β ladder)trans-138.8157.3173.558.9162.89.900111.3H125 N127 Y172H125-Q161 VanDerWaalsContact CE1-CD 3.44Å; H125-Q161 WeakPolarHBondContact CE1-CG 3.45Å; H125-Q161 PolarHBondContact CE1-NE2 2.82Å; H125-Q161 PolarHBondContact N-O 3.08Å; H125-Q161 PolarHBondContact ND1-O 2.95Å; H125-Q161 PolarHBondContact NE2-NE2 2.9Å; H125-Q161 PolarHBondContact O-N 3.35Å; N127-Q161 HydrophobicContact CB-CB 4.44Å; N127-Q161 HydrophobicContact CB-CG 3.82Å; N127-Q161 PolarHBondContact ND2-OE1 3.16Å; Q161-Y172 PolarHBondContact NE2-OH 2.81Å
162I97.2Very high92.6Very high97 Ų9755.9 Ų55.950%0.49726%0.256SS..EExtended strand (participates in β ladder)trans-113.8126.8177.6-55.5174.1000107.8L122 I123L122-I162 HydrophobicContact CB-CG2 3.85Å; L122-I162 HydrophobicContact CD1-CG2 4.43Å; L122-I162 HydrophobicContact CD2-CG2 3.96Å; L122-I162 HydrophobicContact CG-CG2 4.3Å; I123-I162 WeakPolarHBondContact O-CA 3.33Å
163K97.3Very high93Very high26 Ų2660 Ų6011%0.11328%0.278CS..EExtended strand (participates in β ladder)trans-137.1156.6176-65.5-66.1175.3-172.40109.7I123 Q167 L168 Y172I123-K163 PolarHBondContact N-O 2.91Å; I123-K163 PolarHBondContact O-N 3.21Å; I123-K163 VanDerWaalsContact O-N 3.15Å; K163-Q167 HydrophobicContact CB-CB 4.24Å; K163-L168 HydrophobicContact CB-CD2 3.96Å; K163-L168 HydrophobicContact CB-CG 4.01Å; K163-Y172 HydrophobicContact CD-CD1 4.37Å; K163-Y172 HydrophobicContact CD-CD2 4.07Å; K163-Y172 HydrophobicContact CD-CE2 4.22Å; K163-Y172 HydrophobicContact CD-CG 4.16Å; K163-Y172 HydrophobicContact CG-CD1 4.42Å; K163-Y172 HydrophobicContact CG-CE1 4.17Å; K163-Y172 HydrophobicContact CG-CE2 4.42Å
164T98.1Very high93.4Very high24 Ų2453.5 Ų53.515%0.14725%0.25CC..EExtended strand (participates in β ladder)trans-77.6158.7174.667.60000111.4N120 D121 L122 K166 Q167 L168N120-T164 WeakPolarHBondContact O-CG2 3.45Å; D121-T164 CarbonylContact O-C 3.53Å; D121-T164 VanDerWaalsContact O-CA 3.23Å; D121-T164 WeakPolarHBondContact O-CA 2.95Å; L122-T164 HydrophobicContact CD2-CG2 3.82Å; T164-K166 PolarHBondContact O-N 3.21Å; T164-Q167 WeakPolarHBondContact O-CB 3.44Å; T164-Q167 PolarHBondContact O-N 3.19Å; T164-Q167 VanDerWaalsContact O-N 3.09Å; T164-Q167 VanDerWaalsContact OG1-CG 3.31Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.26Å; T164-Q167 PolarHBondContact OG1-N 2.88Å; T164-L168 WeakPolarHBondContact O-CG 3.49Å; T164-L168 PolarHBondContact O-N 3.19Å
165I97.7Very high93.7Very high0 Ų051.5 Ų51.50%025%0.246CC..Hα-helixtrans-52.9-44.8171.4-59.7-67.7000111.1F57 Y80 E119 D121 I123 Q167 L168 L169F57-I165 HydrophobicContact CB-CD1 4.3Å; F57-I165 HydrophobicContact CD1-CD1 4.43Å; F57-I165 HydrophobicContact CD2-CD1 3.31Å; F57-I165 HydrophobicContact CE2-CD1 3.6Å; F57-I165 HydrophobicContact CE2-CG2 3.97Å; F57-I165 HydrophobicContact CG-CD1 3.76Å; F57-I165 HydrophobicContact CZ-CD1 4.28Å; Y80-I165 HydrophobicContact CD1-CG1 4.11Å; Y80-I165 HydrophobicContact CD1-CG2 4.27Å; Y80-I165 HydrophobicContact CD2-CD1 3.79Å; Y80-I165 HydrophobicContact CD2-CG1 4.17Å; Y80-I165 HydrophobicContact CD2-CG2 4.41Å; Y80-I165 HydrophobicContact CE1-CD1 4.3Å; Y80-I165 HydrophobicContact CE1-CG1 3.76Å; Y80-I165 HydrophobicContact CE2-CD1 3.4Å; Y80-I165 VanDerWaalsContact CE2-CD1 3.4Å; Y80-I165 HydrophobicContact CE2-CG1 3.82Å; Y80-I165 HydrophobicContact CG-CD1 4.37Å; Y80-I165 HydrophobicContact CG-CG1 4.29Å; Y80-I165 HydrophobicContact CG-CG2 4.08Å; E119-I165 WeakPolarHBondContact O-CB 3.47Å; E119-I165 PolarHBondContact O-N 3.28Å; D121-I165 HydrophobicContact CB-CG1 4.3Å; D121-I165 PolarHBondContact O-N 2.86Å; I123-I165 HydrophobicContact CD1-CD1 3.87Å; I123-I165 HydrophobicContact CG1-CD1 3.47Å; I123-I165 VanDerWaalsContact CG1-CD1 3.47Å; I123-I165 HydrophobicContact CG1-CG1 4.39Å; I165-Q167 VanDerWaalsContact C-N 3.31Å; I165-Q167 PolarHBondContact O-N 2.76Å; I165-L168 PolarHBondContact O-N 3.33Å; I165-L169 HydrophobicContact CG2-CD1 3.72Å; I165-L169 HydrophobicContact CG2-CG 4.28Å; I165-L169 WeakPolarHBondContact O-CG 3.49Å; I165-L169 PolarHBondContact O-N 2.91Å
166K97.3Very high94Very high111 Ų11148.1 Ų48.148%0.48323%0.23SC..Hα-helixtrans-55.3-46176.8-166.4179.4179.8168.50111.9E119 T164 W170E119-K166 HydrophobicContact CB-CB 4.02Å; E119-K166 WeakPolarHBondContact O-CB 3.42Å; E119-K166 PolarHBondContact O-N 2.99Å; T164-K166 PolarHBondContact O-N 3.21Å; K166-W170 WeakPolarHBondContact O-CB 3.4Å; K166-W170 VanDerWaalsContact O-CD1 3.27Å; K166-W170 PolarHBondContact O-N 2.85Å
167Q97.5Very high94.4Very high69 Ų6941.7 Ų41.732%0.32220%0.201SC..Hα-helixtrans-65.8-44.8179-75.4172.7-27.800111K163 T164 I165 L169 G171 Y172K163-Q167 HydrophobicContact CB-CB 4.24Å; T164-Q167 WeakPolarHBondContact O-CB 3.44Å; T164-Q167 PolarHBondContact O-N 3.19Å; T164-Q167 VanDerWaalsContact O-N 3.09Å; T164-Q167 VanDerWaalsContact OG1-CG 3.31Å; T164-Q167 WeakPolarHBondContact OG1-CG 3.26Å; T164-Q167 PolarHBondContact OG1-N 2.88Å; I165-Q167 VanDerWaalsContact C-N 3.31Å; I165-Q167 PolarHBondContact O-N 2.76Å; Q167-L169 PolarHBondContact O-N 2.93Å; Q167-G171 CarbonylContact O-C 3.46Å; Q167-G171 VanDerWaalsContact O-C 3.23Å; Q167-G171 VanDerWaalsContact O-CA 3.3Å; Q167-G171 WeakPolarHBondContact O-CA 3.48Å; Q167-G171 PolarHBondContact O-N 3.08Å; Q167-Y172 HydrophobicContact CB-CD1 4.01Å; Q167-Y172 HydrophobicContact CB-CG 4.4Å
168L97.4Very high94.9Very high3 Ų342.2 Ų42.22%0.01621%0.208CC..Hα-helixtrans-65.6-38.1-179-67.1173.4000113.1F57 I123 H125 K163 T164 I165 Y172 G193 L194F57-L168 HydrophobicContact CD1-CD1 3.95Å; F57-L168 HydrophobicContact CE1-CB 3.83Å; F57-L168 HydrophobicContact CE1-CD1 3.76Å; F57-L168 HydrophobicContact CE1-CG 4.42Å; F57-L168 HydrophobicContact CZ-CB 4.15Å; I123-L168 HydrophobicContact CB-CD1 3.82Å; I123-L168 HydrophobicContact CG1-CD1 4.07Å; I123-L168 HydrophobicContact CG2-CD1 4.16Å; H125-L168 WeakPolarHBondContact NE2-CD2 3.29Å; K163-L168 HydrophobicContact CB-CD2 3.96Å; K163-L168 HydrophobicContact CB-CG 4.01Å; T164-L168 WeakPolarHBondContact O-CG 3.49Å; T164-L168 PolarHBondContact O-N 3.19Å; I165-L168 PolarHBondContact O-N 3.33Å; L168-Y172 HydrophobicContact CD2-CE1 4.22Å; L168-G193 WeakPolarHBondContact O-CA 3.44Å; L168-L194 WeakPolarHBondContact O-CG 3.37Å; L168-L194 PolarHBondContact O-N 2.69Å
169L97Very high95Very high0 Ų036.7 Ų36.70%019%0.185CC..Hα-helixtrans-76.4-55178.1-68.7175.2000111.7F55 F57 F82 I165 Q167 L194 L195F55-L169 HydrophobicContact CD1-CD2 3.78Å; F55-L169 HydrophobicContact CD2-CD1 4.02Å; F55-L169 HydrophobicContact CD2-CD2 4.01Å; F55-L169 HydrophobicContact CE1-CD2 3.76Å; F55-L169 HydrophobicContact CE2-CD1 4.22Å; F55-L169 HydrophobicContact CE2-CD2 3.98Å; F55-L169 HydrophobicContact CG-CD1 4.49Å; F55-L169 HydrophobicContact CG-CD2 3.91Å; F55-L169 HydrophobicContact CZ-CD2 3.87Å; F57-L169 HydrophobicContact CE2-CD2 4.32Å; F57-L169 HydrophobicContact CE2-CG 4.42Å; F57-L169 HydrophobicContact CZ-CD2 3.84Å; F57-L169 HydrophobicContact CZ-CG 4.01Å; F82-L169 HydrophobicContact CE2-CD1 3.51Å; F82-L169 HydrophobicContact CZ-CD1 3.6Å; I165-L169 HydrophobicContact CG2-CD1 3.72Å; I165-L169 HydrophobicContact CG2-CG 4.28Å; I165-L169 WeakPolarHBondContact O-CG 3.49Å; I165-L169 PolarHBondContact O-N 2.91Å; Q167-L169 PolarHBondContact O-N 2.93Å; L169-L194 HydrophobicContact CD2-CD1 4.12Å; L169-L194 PolarHBondContact O-N 2.86Å; L169-L195 CarbonylContact O-C 3.59Å; L169-L195 WeakPolarHBondContact O-CA 3.46Å; L169-L195 PolarHBondContact O-N 3Å
170W96.1Very high94.9Very high53 Ų5336.7 Ų36.720%0.20119%0.185CC..Hα-helixtrans-97.4-18.2-164.5-52120.5000114.5F82 Y108 E119 K166 L195 N199F82-W170 AromaticContact CD1-CZ2 3.89Å; F82-W170 HydrophobicContact CD1-CZ2 3.89Å; F82-W170 AromaticContact CE1-CZ2 3.54Å; F82-W170 HydrophobicContact CE1-CZ2 3.54Å; F82-W170 HydrophobicContact CZ-CZ2 4.03Å; Y108-W170 VanDerWaalsContact CB-CH2 3.48Å; Y108-W170 HydrophobicContact CD1-CH2 4.48Å; Y108-W170 AromaticContact CD2-CH2 3.84Å; Y108-W170 HydrophobicContact CD2-CH2 3.84Å; Y108-W170 HydrophobicContact CD2-CZ3 4.04Å; Y108-W170 AromaticContact CG-CH2 3.68Å; Y108-W170 HydrophobicContact CG-CH2 3.68Å; Y108-W170 HydrophobicContact CG-CZ3 4.35Å; E119-W170 PolarHBondContact OE1-NE1 2.93Å; E119-W170 VanDerWaalsContact OE1-NE1 3.1Å; K166-W170 WeakPolarHBondContact O-CB 3.4Å; K166-W170 VanDerWaalsContact O-CD1 3.27Å; K166-W170 PolarHBondContact O-N 2.85Å; W170-L195 HydrophobicContact CE3-CB 4.12Å; W170-L195 HydrophobicContact CH2-CD1 3.91Å; W170-L195 HydrophobicContact CZ3-CB 3.78Å; W170-L195 HydrophobicContact CZ3-CD1 3.79Å; W170-L195 HydrophobicContact CZ3-CG 4.47Å; W170-N199 HydrophobicContact CE3-CB 4.14Å; W170-N199 HydrophobicContact CZ3-CB 3.85Å
171G95.9Very high94.7Very high25 Ų2537.7 Ų37.726%0.25819%0.194SC..  trans127.4144175.600000114.1Q167 I192Q167-G171 CarbonylContact O-C 3.46Å; Q167-G171 VanDerWaalsContact O-C 3.23Å; Q167-G171 VanDerWaalsContact O-CA 3.3Å; Q167-G171 WeakPolarHBondContact O-CA 3.48Å; Q167-G171 PolarHBondContact O-N 3.08Å; G171-I192 CarbonylContact C-O 3.5Å; G171-I192 WeakPolarHBondContact CA-O 3.46Å
172Y96.5Very high94.5Very high14 Ų1442.8 Ų42.86%0.05522%0.222CC..EExtended strand (participates in β ladder)trans-136.9156.2160.962-81.2000109.5Q161 K163 Q167 L168 D174 K191 I192Q161-Y172 PolarHBondContact NE2-OH 2.81Å; K163-Y172 HydrophobicContact CD-CD1 4.37Å; K163-Y172 HydrophobicContact CD-CD2 4.07Å; K163-Y172 HydrophobicContact CD-CE2 4.22Å; K163-Y172 HydrophobicContact CD-CG 4.16Å; K163-Y172 HydrophobicContact CG-CD1 4.42Å; K163-Y172 HydrophobicContact CG-CE1 4.17Å; K163-Y172 HydrophobicContact CG-CE2 4.42Å; Q167-Y172 HydrophobicContact CB-CD1 4.01Å; Q167-Y172 HydrophobicContact CB-CG 4.4Å; L168-Y172 HydrophobicContact CD2-CE1 4.22Å; Y172-D174 HydrophobicContact CE2-CB 4.15Å; Y172-D174 PolarHBondContact O-N 3.32Å; Y172-K191 WeakPolarHBondContact O-CA 3.32Å; Y172-I192 WeakPolarHBondContact CD1-O 3.47Å; Y172-I192 HydrophobicContact CE1-CB 4.15Å; Y172-I192 HydrophobicContact CE1-CG2 4.29Å; Y172-I192 PolarHBondContact N-O 3.1Å; Y172-I192 PolarHBondContact O-N 3.22Å
173N95.5Very high93.9Very high94 Ų9444.3 Ų44.350%0.50322%0.222SC..EExtended strand (participates in β ladder)trans-74.6120.3168.5-67.8-21.4000108K191N173-K191 WeakPolarHBondContact OD1-CE 3.24Å; N173-K191 WeakPolarHBondContact OD1-CG 3.41Å
174D94.3Very high93.3Very high1 Ų146.2 Ų46.21%0.00525%0.249CC..  trans-77.6125.7175.2-177.5-97.6000110N127 Y172 F176 L177 T178 T190 I192N127-D174 PolarHBondContact ND2-OD2 2.81Å; N127-D174 PolarHBondContact OD1-OD2 3.22Å; Y172-D174 HydrophobicContact CE2-CB 4.15Å; Y172-D174 PolarHBondContact O-N 3.32Å; D174-F176 VanDerWaalsContact C-N 3.32Å; D174-F176 PolarHBondContact O-N 3.34Å; D174-F176 WeakPolarHBondContact OD1-CA 3.41Å; D174-F176 WeakPolarHBondContact OD1-CB 3.48Å; D174-F176 PolarHBondContact OD1-N 3.09Å; D174-F176 VanDerWaalsContact OD1-N 3.08Å; D174-L177 HydrophobicContact CB-CB 4.09Å; D174-L177 HydrophobicContact CB-CD1 4.07Å; D174-L177 HydrophobicContact CB-CG 4.04Å; D174-L177 WeakPolarHBondContact OD1-CG 3.5Å; D174-L177 PolarHBondContact OD1-N 3.48Å; D174-T178 VanDerWaalsContact O-CB 3.27Å; D174-T178 WeakPolarHBondContact O-CB 3.45Å; D174-T178 PolarHBondContact O-N 2.86Å; D174-T178 PolarHBondContact O-OG1 2.67Å; D174-T190 PolarHBondContact N-O 3.45Å; D174-I192 HydrophobicContact CB-CD1 3.62Å; D174-I192 HydrophobicContact CB-CG1 4.03Å
175E91.5Very high92.6Very high125 Ų12546.3 Ų46.358%0.58425%0.249SC*.Hα-helixtrans-64.5-39.6-174.9-69.4166.7-152.100111.2Y157 L179Y157-E175 HydrophobicContact CE1-CB 4.22Å; Y157-E175 PolarHBondContact OH-O 3.11Å; E175-L179 VanDerWaalsContact O-CB 3.3Å; E175-L179 WeakPolarHBondContact O-CB 3.25Å; E175-L179 PolarHBondContact O-N 2.73Å
176F90.5Very high92Very high1 Ų154 Ų540%0.00429%0.29CS..Hα-helixtrans-69.5-47.6-179.1-176.9-114.7000111.3F130 I133 I148 Y157 D174 T178 L179 L180F130-F176 HydrophobicContact CB-CD1 4.19Å; F130-F176 AromaticContact CD2-CD1 3.93Å; F130-F176 HydrophobicContact CD2-CD1 3.93Å; F130-F176 HydrophobicContact CD2-CD2 4.42Å; F130-F176 AromaticContact CD2-CE1 3.67Å; F130-F176 HydrophobicContact CD2-CE1 3.67Å; F130-F176 HydrophobicContact CD2-CE2 4.21Å; F130-F176 HydrophobicContact CD2-CG 4.27Å; F130-F176 AromaticContact CD2-CZ 3.81Å; F130-F176 HydrophobicContact CD2-CZ 3.81Å; F130-F176 HydrophobicContact CE2-CE1 4.38Å; F130-F176 HydrophobicContact CE2-CE2 4.48Å; F130-F176 HydrophobicContact CE2-CZ 4.12Å; I133-F176 HydrophobicContact CB-CE1 3.97Å; I133-F176 HydrophobicContact CG1-CD1 4.39Å; I133-F176 HydrophobicContact CG1-CE1 4.04Å; I133-F176 HydrophobicContact CG2-CE1 4.11Å; I148-F176 HydrophobicContact CG2-CZ 3.94Å; Y157-F176 HydrophobicContact CD1-CB 4.01Å; Y157-F176 HydrophobicContact CD1-CD2 4.09Å; Y157-F176 HydrophobicContact CD1-CG 4.43Å; Y157-F176 AromaticContact CD2-CD2 3.55Å; Y157-F176 HydrophobicContact CD2-CD2 3.55Å; Y157-F176 HydrophobicContact CD2-CE2 4.08Å; Y157-F176 HydrophobicContact CE1-CB 3.72Å; Y157-F176 HydrophobicContact CE1-CD2 4.22Å; Y157-F176 HydrophobicContact CE1-CG 4.46Å; Y157-F176 AromaticContact CE2-CD2 3.69Å; Y157-F176 HydrophobicContact CE2-CD2 3.69Å; Y157-F176 HydrophobicContact CE2-CE2 4.48Å; Y157-F176 AromaticContact CG-CD2 3.76Å; Y157-F176 HydrophobicContact CG-CD2 3.76Å; Y157-F176 HydrophobicContact CG-CE2 4.39Å; Y157-F176 HydrophobicContact CG-CG 4.5Å; D174-F176 VanDerWaalsContact C-N 3.32Å; D174-F176 PolarHBondContact O-N 3.34Å; D174-F176 WeakPolarHBondContact OD1-CA 3.41Å; D174-F176 WeakPolarHBondContact OD1-CB 3.48Å; D174-F176 PolarHBondContact OD1-N 3.09Å; D174-F176 VanDerWaalsContact OD1-N 3.08Å; F176-T178 VanDerWaalsContact C-N 3.31Å; F176-T178 PolarHBondContact O-N 2.86Å; F176-L179 WeakPolarHBondContact O-CB 3.42Å; F176-L179 PolarHBondContact O-N 2.85Å; F176-L180 HydrophobicContact CD1-CD1 4.12Å; F176-L180 HydrophobicContact CE1-CD1 3.67Å; F176-L180 HydrophobicContact CE1-CG 4.41Å; F176-L180 HydrophobicContact CE2-CD1 4.46Å; F176-L180 HydrophobicContact CE2-CD2 4.37Å; F176-L180 HydrophobicContact CE2-CG 4.42Å; F176-L180 HydrophobicContact CZ-CD1 3.89Å; F176-L180 HydrophobicContact CZ-CD2 4.38Å; F176-L180 HydrophobicContact CZ-CG 4.32Å; F176-L180 WeakPolarHBondContact O-CG 2.86Å; F176-L180 PolarHBondContact O-N 2.9Å
177L92Very high91.4Very high12 Ų1250.3 Ų50.36%0.06328%0.275CS..Hα-helixtrans-61.5-40.6175.7-65.2-175000112.1I133 D174 L179 L180 S181 I187 T190 I192I133-L177 HydrophobicContact CD1-CD2 3.77Å; I133-L177 HydrophobicContact CG1-CD2 3.52Å; D174-L177 HydrophobicContact CB-CB 4.09Å; D174-L177 HydrophobicContact CB-CD1 4.07Å; D174-L177 HydrophobicContact CB-CG 4.04Å; D174-L177 WeakPolarHBondContact OD1-CG 3.5Å; D174-L177 PolarHBondContact OD1-N 3.48Å; L177-L179 VanDerWaalsContact C-N 3.35Å; L177-L180 PolarHBondContact O-N 2.8Å; L177-S181 WeakPolarHBondContact O-CB 3.31Å; L177-S181 PolarHBondContact O-N 3.3Å; L177-I187 HydrophobicContact CB-CG2 4.25Å; L177-I187 HydrophobicContact CD2-CG2 4.35Å; L177-T190 HydrophobicContact CB-CG2 4.24Å; L177-I192 HydrophobicContact CD1-CD1 3.81Å; L177-I192 HydrophobicContact CD1-CG1 4.03Å
178T92.7Very high90.8Very high43 Ų4351.3 Ų51.326%0.26429%0.289SS..Hα-helixtrans-64.1-42.4177.1-56.50000111D174 F176 S181 N182D174-T178 VanDerWaalsContact O-CB 3.27Å; D174-T178 WeakPolarHBondContact O-CB 3.45Å; D174-T178 PolarHBondContact O-N 2.86Å; D174-T178 PolarHBondContact O-OG1 2.67Å; F176-T178 VanDerWaalsContact C-N 3.31Å; F176-T178 PolarHBondContact O-N 2.86Å; T178-S181 PolarHBondContact O-N 3.31Å; T178-N182 WeakPolarHBondContact O-CB 3.15Å; T178-N182 PolarHBondContact O-N 2.94Å; T178-N182 PolarHBondContact O-ND2 2.74Å; T178-N182 PolarHBondContact O-OD1 3.29Å
179L89.6Confident90.3Very high24 Ų2455.2 Ų55.213%0.12631%0.308CS..Hα-helixtrans-60.6-51.4176.2-176.9139.1000111.5F151 Y157 E175 F176 L177 S181 N182 Y183F151-L179 HydrophobicContact CB-CD2 4.18Å; F151-L179 HydrophobicContact CD2-CD2 4.48Å; F151-L179 HydrophobicContact CG-CD2 4.19Å; Y157-L179 HydrophobicContact CE2-CD1 4.16Å; E175-L179 VanDerWaalsContact O-CB 3.3Å; E175-L179 WeakPolarHBondContact O-CB 3.25Å; E175-L179 PolarHBondContact O-N 2.73Å; F176-L179 WeakPolarHBondContact O-CB 3.42Å; F176-L179 PolarHBondContact O-N 2.85Å; L177-L179 VanDerWaalsContact C-N 3.35Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 3.43Å; L179-N182 PolarHBondContact O-N 3.3Å; L179-N182 VanDerWaalsContact O-N 3.11Å; L179-Y183 HydrophobicContact CD1-CE2 4.4Å; L179-Y183 HydrophobicContact CD2-CD2 3.77Å; L179-Y183 HydrophobicContact CD2-CE2 3.87Å; L179-Y183 HydrophobicContact CG-CD2 3.97Å; L179-Y183 HydrophobicContact CG-CE2 3.88Å; L179-Y183 VanDerWaalsContact O-CD2 3.29Å; L179-Y183 WeakPolarHBondContact O-CD2 3.46Å; L179-Y183 PolarHBondContact O-N 3.47Å; L179-Y183 VanDerWaalsContact O-N 3.07Å
180L89.4Confident90.1Very high0 Ų056.8 Ų56.80%032%0.318CS..Hα-helixtrans-58.1-41.6177.8-68.3-174000111.8I133 I148 F151 F176 L177 Y183 G184 L185 I187I133-L180 HydrophobicContact CD1-CD1 4.24Å; I133-L180 HydrophobicContact CG1-CD1 3.97Å; I133-L180 HydrophobicContact CG2-CD1 4.15Å; I148-L180 HydrophobicContact CG1-CD1 4.37Å; I148-L180 HydrophobicContact CG1-CD2 4.13Å; F151-L180 HydrophobicContact CD2-CD2 3.8Å; F176-L180 HydrophobicContact CD1-CD1 4.12Å; F176-L180 HydrophobicContact CE1-CD1 3.67Å; F176-L180 HydrophobicContact CE1-CG 4.41Å; F176-L180 HydrophobicContact CE2-CD1 4.46Å; F176-L180 HydrophobicContact CE2-CD2 4.37Å; F176-L180 HydrophobicContact CE2-CG 4.42Å; F176-L180 HydrophobicContact CZ-CD1 3.89Å; F176-L180 HydrophobicContact CZ-CD2 4.38Å; F176-L180 HydrophobicContact CZ-CG 4.32Å; F176-L180 WeakPolarHBondContact O-CG 2.86Å; F176-L180 PolarHBondContact O-N 2.9Å; L177-L180 PolarHBondContact O-N 2.8Å; L180-Y183 PolarHBondContact O-N 3.38Å; L180-G184 PolarHBondContact O-N 3.16Å; L180-L185 HydrophobicContact CB-CB 4.44Å; L180-L185 HydrophobicContact CB-CD1 4Å; L180-L185 HydrophobicContact CD1-CD1 4.39Å; L180-L185 HydrophobicContact CD2-CD1 3.83Å; L180-L185 HydrophobicContact CG-CD1 4.26Å; L180-L185 WeakPolarHBondContact O-CB 3.27Å; L180-L185 PolarHBondContact O-N 3.33Å; L180-L185 VanDerWaalsContact O-N 3.11Å; L180-I187 HydrophobicContact CB-CD1 4.34Å; L180-I187 HydrophobicContact CB-CG1 4.09Å
181S90.9Very high90.1Very high46 Ų4659.3 Ų59.332%0.32233%0.33SS..Hα-helixtrans-62.3-42175.8-170.50000112.3L177 T178 L179 Y183 G184L177-S181 WeakPolarHBondContact O-CB 3.31Å; L177-S181 PolarHBondContact O-N 3.3Å; T178-S181 PolarHBondContact O-N 3.31Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 3.43Å; S181-Y183 VanDerWaalsContact C-N 3.28Å; S181-Y183 PolarHBondContact O-N 3.3Å; S181-G184 PolarHBondContact O-N 3.23Å
182N89.7Confident90.1Very high130 Ų13059.4 Ų59.470%0.69532%0.324SS*.Hα-helixtrans-66.2-30.6179-71.1-13.7000112.4T178 L179 G184T178-N182 WeakPolarHBondContact O-CB 3.15Å; T178-N182 PolarHBondContact O-N 2.94Å; T178-N182 PolarHBondContact O-ND2 2.74Å; T178-N182 PolarHBondContact O-OD1 3.29Å; L179-N182 PolarHBondContact O-N 3.3Å; L179-N182 VanDerWaalsContact O-N 3.11Å; N182-G184 PolarHBondContact O-N 3.06Å
183Y85.3Confident90Very high130 Ų13059.6 Ų59.651%0.5133%0.331SS..THydrogen-bonded Turntrans-79.18172.2-79.9-75.5000113.9F151 L179 L180 S181F151-Y183 HydrophobicContact CD1-CD2 4.5Å; F151-Y183 HydrophobicContact CD1-CE2 4.28Å; F151-Y183 AromaticContact CE1-CD1 3.94Å; F151-Y183 HydrophobicContact CE1-CD1 3.94Å; F151-Y183 AromaticContact CE1-CD2 3.96Å; F151-Y183 HydrophobicContact CE1-CD2 3.96Å; F151-Y183 AromaticContact CE1-CE1 3.81Å; F151-Y183 HydrophobicContact CE1-CE1 3.81Å; F151-Y183 AromaticContact CE1-CE2 3.84Å; F151-Y183 HydrophobicContact CE1-CE2 3.84Å; F151-Y183 HydrophobicContact CE1-CG 4.02Å; F151-Y183 AromaticContact CE1-CZ 3.75Å; F151-Y183 HydrophobicContact CE2-CD1 4.41Å; F151-Y183 HydrophobicContact CE2-CD2 4.14Å; F151-Y183 AromaticContact CE2-CG 3.93Å; F151-Y183 HydrophobicContact CE2-CG 3.93Å; F151-Y183 AromaticContact CZ-CD1 3.51Å; F151-Y183 HydrophobicContact CZ-CD1 3.51Å; F151-Y183 AromaticContact CZ-CD2 3.77Å; F151-Y183 HydrophobicContact CZ-CD2 3.77Å; F151-Y183 AromaticContact CZ-CE1 3.89Å; F151-Y183 HydrophobicContact CZ-CE1 3.89Å; F151-Y183 HydrophobicContact CZ-CE2 4.12Å; F151-Y183 AromaticContact CZ-CG 3.45Å; F151-Y183 HydrophobicContact CZ-CG 3.45Å; F151-Y183 VanDerWaalsContact CZ-CG 3.45Å; L179-Y183 HydrophobicContact CD1-CE2 4.4Å; L179-Y183 HydrophobicContact CD2-CD2 3.77Å; L179-Y183 HydrophobicContact CD2-CE2 3.87Å; L179-Y183 HydrophobicContact CG-CD2 3.97Å; L179-Y183 HydrophobicContact CG-CE2 3.88Å; L179-Y183 VanDerWaalsContact O-CD2 3.29Å; L179-Y183 WeakPolarHBondContact O-CD2 3.46Å; L179-Y183 PolarHBondContact O-N 3.47Å; L179-Y183 VanDerWaalsContact O-N 3.07Å; L180-Y183 PolarHBondContact O-N 3.38Å; S181-Y183 VanDerWaalsContact C-N 3.28Å; S181-Y183 PolarHBondContact O-N 3.3Å
184G84Confident89.9Confident66 Ų6657.4 Ų57.468%0.6832%0.319SS*.THydrogen-bonded Turntrans87.28.8173.100000115L180 S181 N182L180-G184 PolarHBondContact O-N 3.16Å; S181-G184 PolarHBondContact O-N 3.23Å; N182-G184 PolarHBondContact O-N 3.06Å
185L84.8Confident89.9Confident26 Ų2658.8 Ų58.814%0.13633%0.326CS..  trans-72.3136169.5-62.9179.3000109.6I144 I148 L180 I187I144-L185 HydrophobicContact CB-CD2 4.48Å; I144-L185 HydrophobicContact CD1-CD2 4.21Å; I144-L185 HydrophobicContact CG1-CD2 4.12Å; I144-L185 HydrophobicContact CG2-CD1 4.3Å; I144-L185 HydrophobicContact CG2-CD2 3.76Å; I148-L185 HydrophobicContact CD1-CD1 4.25Å; I148-L185 HydrophobicContact CG1-CD1 3.92Å; L180-L185 HydrophobicContact CB-CB 4.44Å; L180-L185 HydrophobicContact CB-CD1 4Å; L180-L185 HydrophobicContact CD1-CD1 4.39Å; L180-L185 HydrophobicContact CD2-CD1 3.83Å; L180-L185 HydrophobicContact CG-CD1 4.26Å; L180-L185 WeakPolarHBondContact O-CB 3.27Å; L180-L185 PolarHBondContact O-N 3.33Å; L180-L185 VanDerWaalsContact O-N 3.11Å; L185-I187 VanDerWaalsContact C-N 3.33Å; L185-I187 HydrophobicContact CB-CD1 4.4Å; L185-I187 HydrophobicContact CB-CG1 4.37Å; L185-I187 PolarHBondContact O-N 3.29Å
186N84.8Confident90Very high162 Ų16254.4 Ų54.487%0.86631%0.306SS*.  trans-7386.5179.9-172.97000110.9
187I85.1Confident89.9Confident33 Ų3359.8 Ų59.817%0.16934%0.335CS..  trans-99.9105.5175.8-55.4-57.5000108.6I133 L177 L180 L185 Q189 T190I133-I187 HydrophobicContact CD1-CD1 3.92Å; L177-I187 HydrophobicContact CB-CG2 4.25Å; L177-I187 HydrophobicContact CD2-CG2 4.35Å; L180-I187 HydrophobicContact CB-CD1 4.34Å; L180-I187 HydrophobicContact CB-CG1 4.09Å; L185-I187 VanDerWaalsContact C-N 3.33Å; L185-I187 HydrophobicContact CB-CD1 4.4Å; L185-I187 HydrophobicContact CB-CG1 4.37Å; L185-I187 PolarHBondContact O-N 3.29Å; I187-Q189 WeakPolarHBondContact CG2-O 3.5Å; I187-Q189 PolarHBondContact O-N 3.35Å; I187-T190 HydrophobicContact CG2-CG2 4.02Å
188S83.6Confident89.8Confident89 Ų8964 Ų6462%0.62235%0.35SS*.SBendtrans-61.6-27.9-177.355.30000114.6N328S188-N328 PolarHBondContact OG-ND2 3.31Å
189Q88.2Confident89.8Confident85 Ų8564.2 Ų64.240%0.39735%0.35SS..  trans-149.8124.8-177.9-176.776.4-6800109.9I187 K191 L196I187-Q189 WeakPolarHBondContact CG2-O 3.5Å; I187-Q189 PolarHBondContact O-N 3.35Å; Q189-K191 VanDerWaalsContact CG-O 3.29Å; Q189-K191 WeakPolarHBondContact CG-O 3.47Å; Q189-L196 HydrophobicContact CG-CD2 4.41Å
190T92.9Very high90Very high34 Ų3466.8 Ų66.821%0.20936%0.364CS..  trans-102.2-15.6175.8580000113D174 L177 I187D174-T190 PolarHBondContact N-O 3.45Å; L177-T190 HydrophobicContact CB-CG2 4.24Å; I187-T190 HydrophobicContact CG2-CG2 4.02Å
191K95.1Very high90.1Very high105 Ų10569.3 Ų69.346%0.45738%0.379SS..EExtended strand (participates in β ladder)trans-83.3133.6174.3-78.5-176.6179.4-178.40111.6Y172 N173 Q189 L196Y172-K191 WeakPolarHBondContact O-CA 3.32Å; N173-K191 WeakPolarHBondContact OD1-CE 3.24Å; N173-K191 WeakPolarHBondContact OD1-CG 3.41Å; Q189-K191 VanDerWaalsContact CG-O 3.29Å; Q189-K191 WeakPolarHBondContact CG-O 3.47Å; K191-L196 HydrophobicContact CB-CD1 4.05Å; K191-L196 HydrophobicContact CB-CD2 4.05Å; K191-L196 WeakPolarHBondContact O-CD2 3.42Å
192I95Very high90.2Very high27 Ų2770.9 Ų70.914%0.13838%0.384CS..EExtended strand (participates in β ladder)trans-121.5127.9177.4-57.3-177.8000109.2L128 G171 Y172 D174 L177L128-I192 HydrophobicContact CB-CD1 4.07Å; L128-I192 HydrophobicContact CB-CG2 3.98Å; L128-I192 HydrophobicContact CD1-CG2 3.77Å; G171-I192 CarbonylContact C-O 3.5Å; G171-I192 WeakPolarHBondContact CA-O 3.46Å; Y172-I192 WeakPolarHBondContact CD1-O 3.47Å; Y172-I192 HydrophobicContact CE1-CB 4.15Å; Y172-I192 HydrophobicContact CE1-CG2 4.29Å; Y172-I192 PolarHBondContact N-O 3.1Å; Y172-I192 PolarHBondContact O-N 3.22Å; D174-I192 HydrophobicContact CB-CD1 3.62Å; D174-I192 HydrophobicContact CB-CG1 4.03Å; L177-I192 HydrophobicContact CD1-CD1 3.81Å; L177-I192 HydrophobicContact CD1-CG1 4.03Å
193G95Very high90.4Very high19 Ų1965.4 Ų65.420%0.19636%0.356CS..  trans-165.1145.6171.300000110.5L168 L195 L196L168-G193 WeakPolarHBondContact O-CA 3.44Å; G193-L195 VanDerWaalsContact C-N 3.3Å; G193-L195 PolarHBondContact O-N 3.33Å; G193-L196 WeakPolarHBondContact O-CB 3.25Å; G193-L196 PolarHBondContact O-N 2.69Å
194L94.2Very high90.8Very high47 Ų4761.3 Ų61.325%0.24635%0.345CS..THydrogen-bonded Turntrans-63.5-38.3-178.7-68.2165.8000112.2F57 L168 L169 I381 L404 V405F57-L194 HydrophobicContact CE1-CD1 3.8Å; F57-L194 HydrophobicContact CZ-CD1 3.93Å; L168-L194 WeakPolarHBondContact O-CG 3.37Å; L168-L194 PolarHBondContact O-N 2.69Å; L169-L194 HydrophobicContact CD2-CD1 4.12Å; L169-L194 PolarHBondContact O-N 2.86Å; L194-I381 HydrophobicContact CD2-CD1 3.86Å; L194-I381 HydrophobicContact CD2-CG2 4.46Å; L194-L404 HydrophobicContact CD2-CD2 3.96Å; L194-V405 HydrophobicContact CD1-CB 4.47Å; L194-V405 HydrophobicContact CD1-CG1 3.69Å; L194-V405 HydrophobicContact CD2-CG1 4.24Å
195L93.9Very high91.4Very high31 Ų3159.4 Ų59.416%0.16232%0.32CS..THydrogen-bonded Turntrans-115.533.9178.4-64.6-177.7000111F55 Y108 L169 W170 G193 N197 R198F55-L195 HydrophobicContact CZ-CD1 3.78Å; Y108-L195 HydrophobicContact CE2-CD1 4.48Å; L169-L195 CarbonylContact O-C 3.59Å; L169-L195 WeakPolarHBondContact O-CA 3.46Å; L169-L195 PolarHBondContact O-N 3Å; W170-L195 HydrophobicContact CE3-CB 4.12Å; W170-L195 HydrophobicContact CH2-CD1 3.91Å; W170-L195 HydrophobicContact CZ3-CB 3.78Å; W170-L195 HydrophobicContact CZ3-CD1 3.79Å; W170-L195 HydrophobicContact CZ3-CG 4.47Å; G193-L195 VanDerWaalsContact C-N 3.3Å; G193-L195 PolarHBondContact O-N 3.33Å; L195-N197 PolarHBondContact O-N 3.43Å; L195-N197 VanDerWaalsContact O-N 3.17Å; L195-R198 HydrophobicContact CB-CB 4.1Å; L195-R198 HydrophobicContact CB-CG 4.37Å; L195-R198 HydrophobicContact CD2-CB 4.43Å; L195-R198 HydrophobicContact CD2-CG 4.38Å; L195-R198 WeakPolarHBondContact O-CB 3.49Å; L195-R198 PolarHBondContact O-N 3.45Å
196L92.5Very high91.9Very high33 Ų3358.3 Ų58.317%0.17331%0.314CS..THydrogen-bonded Turntrans-54.6123-179.5-172.471.4000110.3Q189 K191 G193 R198Q189-L196 HydrophobicContact CG-CD2 4.41Å; K191-L196 HydrophobicContact CB-CD1 4.05Å; K191-L196 HydrophobicContact CB-CD2 4.05Å; K191-L196 WeakPolarHBondContact O-CD2 3.42Å; G193-L196 WeakPolarHBondContact O-CB 3.25Å; G193-L196 PolarHBondContact O-N 2.69Å; L196-R198 PolarHBondContact O-N 2.91Å
197N89.4Confident92.5Very high113 Ų11352 Ų5260%0.60428%0.28SS*.THydrogen-bonded Turntrans55.227-177.1-52-34.4000114.3L195 T201L195-N197 PolarHBondContact O-N 3.43Å; L195-N197 VanDerWaalsContact O-N 3.17Å; N197-T201 WeakPolarHBondContact O-CB 3.46Å; N197-T201 WeakPolarHBondContact O-CG2 3.42Å; N197-T201 PolarHBondContact O-OG1 2.89Å
198R90.8Very high93Very high100 Ų10050.5 Ų50.538%0.37727%0.273SS..THydrogen-bonded Turntrans-97.3-21.4174.1-60.3-59.5-172.3122.43113.3L195 L196 T201 D265L195-R198 HydrophobicContact CB-CB 4.1Å; L195-R198 HydrophobicContact CB-CG 4.37Å; L195-R198 HydrophobicContact CD2-CB 4.43Å; L195-R198 HydrophobicContact CD2-CG 4.38Å; L195-R198 WeakPolarHBondContact O-CB 3.49Å; L195-R198 PolarHBondContact O-N 3.45Å; L196-R198 PolarHBondContact O-N 2.91Å; R198-T201 WeakPolarHBondContact CA-OG1 3.45Å; R198-T201 PolarHBondContact O-OG1 2.84Å; R198-D265 IonicContact CZ-OD1 3.32Å; R198-D265 IonicContact NH1-OD1 3.79Å; R198-D265 PolarHBondContact NH1-OD1 3.18Å; R198-D265 IonicContact NH2-OD1 2.77Å
199N92Very high93.5Very high48 Ų4847.4 Ų47.426%0.25725%0.249SC..THydrogen-bonded Turntrans-81.9129.5176.2-163.611.4000110.2Q107 Y108 W170 T201Q107-N199 WeakPolarHBondContact CA-OD1 3.24Å; Y108-N199 HydrophobicContact CD2-CB 4.21Å; Y108-N199 PolarHBondContact N-OD1 3.48Å; W170-N199 HydrophobicContact CE3-CB 4.14Å; W170-N199 HydrophobicContact CZ3-CB 3.85Å; N199-T201 VanDerWaalsContact C-N 3.32Å; N199-T201 PolarHBondContact O-N 2.81Å
200N93Very high93.6Very high79 Ų7943.4 Ų43.442%0.42223%0.23SC..THydrogen-bonded Turntrans60.337.1-178.2-56.7-60.6000113.9Y105 K106 Q107Y105-N200 HydrophobicContact CE2-CB 4.33Å; Y105-N200 WeakPolarHBondContact CE2-O 3.35Å; Y105-N200 WeakPolarHBondContact OH-CA 3.09Å; Y105-N200 VanDerWaalsContact OH-CB 3.26Å; Y105-N200 WeakPolarHBondContact OH-CB 3.34Å; Y105-N200 PolarHBondContact OH-OD1 2.75Å; Y105-N200 VanDerWaalsContact OH-OD1 3.11Å; K106-N200 PolarHBondContact O-N 2.95Å; Q107-N200 WeakPolarHBondContact CG-OD1 3.34Å; Q107-N200 PolarHBondContact NE2-OD1 3.25Å
201T92.3Very high93.5Very high52 Ų5241.8 Ų41.832%0.31922%0.221SC..EExtended strand (participates in β ladder)trans-125.5152.8176.957.80000112.3Y105 N197 R198 N199Y105-T201 WeakPolarHBondContact CD2-O 3.5Å; N197-T201 WeakPolarHBondContact O-CB 3.46Å; N197-T201 WeakPolarHBondContact O-CG2 3.42Å; N197-T201 PolarHBondContact O-OG1 2.89Å; R198-T201 WeakPolarHBondContact CA-OG1 3.45Å; R198-T201 PolarHBondContact O-OG1 2.84Å; N199-T201 VanDerWaalsContact C-N 3.32Å; N199-T201 PolarHBondContact O-N 2.81Å
202L93.4Very high93.1Very high80 Ų8039.9 Ų39.942%0.41922%0.215SC..EExtended strand (participates in β ladder)trans-84.8136.8174.1-72.8165.9000109.8Y89 Q103 E104 Y105Y89-L202 HydrophobicContact CD2-CD2 4.09Å; Y89-L202 HydrophobicContact CG-CD2 4.27Å; Q103-L202 HydrophobicContact CB-CD2 4.04Å; E104-L202 CarbonylContact O-C 3.53Å; E104-L202 WeakPolarHBondContact O-CA 3.46Å; Y105-L202 HydrophobicContact CD2-CD2 4.17Å; Y105-L202 HydrophobicContact CD2-CG 4.24Å
203S92.8Very high92.7Very high15 Ų1545.6 Ų45.611%0.10524%0.239CC..PPolyproline II helixtrans-68166.4171.377.60000111.1Q103 E104Q103-S203 WeakPolarHBondContact CG-O 3.26Å; Q103-S203 PolarHBondContact NE2-O 2.85Å; E104-S203 PolarHBondContact N-OG 3.47Å; E104-S203 PolarHBondContact O-N 2.93Å
204P93.2Very high92.5Very high44 Ų4447.9 Ų47.929%0.28625%0.246SC..PPolyproline II helixtrans-54.1156.4160-24.736.2000111.9F224 H225P204-F224 HydrophobicContact CB-CE2 3.88Å; P204-F224 HydrophobicContact CB-CZ 3.93Å; P204-F224 HydrophobicContact CG-CE2 4.16Å; P204-F224 HydrophobicContact CG-CZ 3.84Å; P204-H225 HydrophobicContact CB-CB 4.09Å
205T96.6Very high92.2Very high26 Ų2648 Ų4816%0.1624%0.244CC..PPolyproline II helixtrans-64134.4177.8-50.20000111.4E101 H225E101-T205 HydrophobicContact CG-CG2 3.3Å; E101-T205 VanDerWaalsContact OE1-CG2 3.32Å; E101-T205 WeakPolarHBondContact OE1-CG2 3.31Å; T205-H225 PolarHBondContact O-N 2.88Å
206I96.8Very high92Very high3 Ų351 Ų512%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-118.3126.6175.6-56.6178.4000108E101 Y102 I221 F224E101-I206 CarbonylContact C-O 3.56Å; E101-I206 WeakPolarHBondContact CA-O 3.31Å; Y102-I206 HydrophobicContact CD1-CB 4.47Å; Y102-I206 HydrophobicContact CE1-CB 3.99Å; Y102-I206 HydrophobicContact CE1-CG2 3.91Å; Y102-I206 HydrophobicContact CE2-CB 4.21Å; Y102-I206 HydrophobicContact CE2-CD1 4.06Å; Y102-I206 PolarHBondContact N-O 3.19Å; Y102-I206 PolarHBondContact O-N 2.86Å; I206-I221 HydrophobicContact CG2-CD1 4.06Å; I206-I221 HydrophobicContact CG2-CG1 4.12Å; I206-I221 HydrophobicContact CG2-CG2 4.09Å; I206-F224 HydrophobicContact CG1-CD2 4.15Å
207L96.9Very high92Very high29 Ų2951.9 Ų51.915%0.15226%0.261CS..EExtended strand (participates in β ladder)trans-105.3122169.5-174.372.7000108.6E101 L222 E223E101-L207 HydrophobicContact CB-CD1 3.88Å; L207-L222 HydrophobicContact CD2-CB 4.3Å; L207-L222 HydrophobicContact CG-CB 4.47Å; L207-L222 PolarHBondContact O-N 2.78Å; L207-E223 HydrophobicContact CB-CB 3.93Å; L207-E223 HydrophobicContact CD2-CB 4.33Å; L207-E223 HydrophobicContact CD2-CG 4.02Å; L207-E223 PolarHBondContact N-O 2.66Å; L207-E223 PolarHBondContact O-N 3.27Å
208M95.4Very high92.1Very high2 Ų246.8 Ų46.81%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-126.9162.9177.770.9176.4-174.400112.2L34 W44 T99 I100 Y102 K220L34-M208 HydrophobicContact CD1-CE 3.9Å; W44-M208 HydrophobicContact CD2-CE 4.41Å; W44-M208 HydrophobicContact CH2-CE 3.73Å; W44-M208 HydrophobicContact CZ2-CE 3.2Å; W44-M208 HydrophobicContact CZ2-SD 4.23Å; W44-M208 HydrophobicContact CZ3-CE 4.5Å; T99-M208 CarbonylContact C-O 3.57Å; T99-M208 VanDerWaalsContact CA-O 3.24Å; T99-M208 WeakPolarHBondContact CA-O 3.16Å; T99-M208 WeakPolarHBondContact CB-O 3.38Å; I100-M208 HydrophobicContact CB-CE 4.08Å; I100-M208 HydrophobicContact CB-CG 4.31Å; I100-M208 HydrophobicContact CD1-CE 4.09Å; I100-M208 HydrophobicContact CG2-CE 4.23Å; I100-M208 PolarHBondContact N-O 3.38Å; I100-M208 PolarHBondContact O-N 3.27Å; Y102-M208 HydrophobicContact CD1-CE 4.39Å; Y102-M208 HydrophobicContact CD1-SD 4.5Å; Y102-M208 HydrophobicContact CE1-CE 4.01Å; Y102-M208 HydrophobicContact CE1-CG 3.94Å; Y102-M208 HydrophobicContact CE1-SD 3.64Å; M208-K220 CarbonylContact C-O 3.59Å; M208-K220 VanDerWaalsContact CA-O 3.25Å; M208-K220 WeakPolarHBondContact CA-O 3.38Å; M208-K220 WeakPolarHBondContact CB-O 2.98Å
209N94.7Very high92.1Very high23 Ų2342 Ų4212%0.12322%0.216CC..EExtended strand (participates in β ladder)trans-83135.6172.6-170.8-68.7000111G98 G211 N217 G219 K220 L222G98-N209 WeakPolarHBondContact O-CA 3.5Å; N209-G211 VanDerWaalsContact C-N 3.34Å; N209-G211 PolarHBondContact OD1-N 3.47Å; N209-N217 HydrophobicContact CB-CB 4.23Å; N209-N217 WeakPolarHBondContact CB-O 3.44Å; N209-G219 PolarHBondContact O-N 3.04Å; N209-K220 PolarHBondContact N-O 2.88Å; N209-L222 HydrophobicContact CB-CD1 4.35Å
210D90.5Very high92.3Very high2 Ų243.9 Ų43.91%0.01122%0.221CC..  trans-78.6-14.3-176.264.814.5000114.4G98 I100 L212G98-D210 VanDerWaalsContact C-OD2 3.26Å; G98-D210 WeakPolarHBondContact CA-OD2 3.39Å; G98-D210 VanDerWaalsContact O-CG 3.32Å; G98-D210 PolarHBondContact O-N 3.49Å; I100-D210 HydrophobicContact CD1-CB 3.8Å; I100-D210 HydrophobicContact CG1-CB 3.97Å; D210-L212 VanDerWaalsContact C-N 3.27Å; D210-L212 HydrophobicContact CB-CG 4.29Å; D210-L212 PolarHBondContact O-N 3.35Å; D210-L212 WeakPolarHBondContact OD1-CB 3.3Å; D210-L212 PolarHBondContact OD1-N 3.48Å; D210-L212 WeakPolarHBondContact OD2-CD1 3Å
211G89.4Confident92.4Very high0 Ų040.4 Ų40.40%020%0.202CC..SBendtrans76.41.3-177.900000115.4N209 K213 N214 Y215N209-G211 VanDerWaalsContact C-N 3.34Å; N209-G211 PolarHBondContact OD1-N 3.47Å; G211-K213 PolarHBondContact O-N 3.2Å; G211-N214 WeakPolarHBondContact CA-O 3.35Å; G211-N214 CarbonylContact O-C 3.56Å; G211-N214 PolarHBondContact O-N 3.08Å; G211-Y215 WeakPolarHBondContact O-CA 3.39Å; G211-Y215 PolarHBondContact O-N 3.47Å
212L86.7Confident92.6Very high64 Ų6440.9 Ų40.934%0.33520%0.203SC..SBendtrans-67.5-35.7-175.2-67.5179.9000112.9C33 K35 D210C33-L212 HydrophobicContact CB-CD2 3.67Å; K35-L212 HydrophobicContact CB-CD2 4.31Å; D210-L212 VanDerWaalsContact C-N 3.27Å; D210-L212 HydrophobicContact CB-CG 4.29Å; D210-L212 PolarHBondContact O-N 3.35Å; D210-L212 WeakPolarHBondContact OD1-CB 3.3Å; D210-L212 PolarHBondContact OD1-N 3.48Å; D210-L212 WeakPolarHBondContact OD2-CD1 3Å
213K87.6Confident92.8Very high147 Ų14740.4 Ų40.464%0.63920%0.198SC*.SBendtrans-82.6-34.9176.7-66-178.5-178.3176.10112.6F96 G211F96-K213 WeakPolarHBondContact O-CE 2.89Å; F96-K213 PolarHBondContact O-NZ 2.94Å; G211-K213 PolarHBondContact O-N 3.2Å
214N89.6Confident93Very high67 Ų6740.5 Ų40.536%0.35820%0.197SC..  trans-150.5110.1179.2-179.1-4.5000108.9G211 K216 N217G211-N214 WeakPolarHBondContact CA-O 3.35Å; G211-N214 CarbonylContact O-C 3.56Å; G211-N214 PolarHBondContact O-N 3.08Å; N214-K216 PolarHBondContact O-N 2.81Å; N214-K216 VanDerWaalsContact O-N 3.12Å; N214-K216 WeakPolarHBondContact OD1-CB 3.27Å; N214-K216 PolarHBondContact OD1-N 3.35Å; N214-N217 PolarHBondContact O-N 2.77Å
215Y88.1Confident93.1Very high49 Ų4943.8 Ų43.819%0.19221%0.208CC..G310 helixtrans-57.3-29.9-177.865.7-89.3000112.7W25 G211 N217 Q218 H250 L251 F252W25-Y215 HydrophobicContact CZ2-CD1 4.5Å; W25-Y215 HydrophobicContact CZ2-CE1 4.04Å; G211-Y215 WeakPolarHBondContact O-CA 3.39Å; G211-Y215 PolarHBondContact O-N 3.47Å; Y215-N217 PolarHBondContact O-N 2.86Å; Y215-N217 VanDerWaalsContact O-N 3.13Å; Y215-Q218 WeakPolarHBondContact O-CB 3.46Å; Y215-Q218 PolarHBondContact O-N 2.84Å; Y215-H250 WeakPolarHBondContact O-CB 3.44Å; Y215-L251 HydrophobicContact CD2-CB 4.03Å; Y215-L251 WeakPolarHBondContact CD2-O 3.42Å; Y215-L251 VanDerWaalsContact CE2-O 3.29Å; Y215-L251 WeakPolarHBondContact CE2-O 3.44Å; Y215-F252 HydrophobicContact CD2-CD2 4.33Å; Y215-F252 HydrophobicContact CE2-CB 4.48Å; Y215-F252 AromaticContact CE2-CD2 3.98Å; Y215-F252 HydrophobicContact CE2-CD2 3.98Å
216K90.6Very high93Very high95 Ų9547.8 Ų47.841%0.41323%0.225SC..G310 helixtrans-62.7-19.7178-65.2-161.8171.8-153.30113.5N214 D254N214-K216 PolarHBondContact O-N 2.81Å; N214-K216 VanDerWaalsContact O-N 3.12Å; N214-K216 WeakPolarHBondContact OD1-CB 3.27Å; N214-K216 PolarHBondContact OD1-N 3.35Å; K216-D254 IonicContact NZ-OD2 2.76Å
217N92.2Very high93Very high52 Ų5251.7 Ų51.728%0.27824%0.243SC..G310 helixtrans-94.3-0.6176.6-69.1-34.4000113.2N209 N214 Y215 G219 K220N209-N217 HydrophobicContact CB-CB 4.23Å; N209-N217 WeakPolarHBondContact CB-O 3.44Å; N214-N217 PolarHBondContact O-N 2.77Å; Y215-N217 PolarHBondContact O-N 2.86Å; Y215-N217 VanDerWaalsContact O-N 3.13Å; N217-G219 PolarHBondContact O-N 2.89Å; N217-K220 WeakPolarHBondContact O-CB 3.4Å; N217-K220 PolarHBondContact O-N 2.87Å
218Q90.8Very high93Very high5 Ų555.5 Ų55.52%0.02326%0.264CS..THydrogen-bonded Turntrans-54.4126.5-177.3-179.2163.6-3700111.9L32 L34 Y215 K220 I248 H250L32-Q218 PolarHBondContact O-NE2 2.96Å; L32-Q218 VanDerWaalsContact O-NE2 3.08Å; L32-Q218 PolarHBondContact O-OE1 3.04Å; L34-Q218 HydrophobicContact CD1-CG 4.15Å; Y215-Q218 WeakPolarHBondContact O-CB 3.46Å; Y215-Q218 PolarHBondContact O-N 2.84Å; Q218-K220 PolarHBondContact O-N 3.49Å; Q218-I248 HydrophobicContact CG-CG2 4Å; Q218-H250 HydrophobicContact CB-CB 4.39Å
219G91.8Very high93.1Very high1 Ų160.2 Ų60.21%0.0129%0.286CS..THydrogen-bonded Turntrans73.7-1.3178.800000114.6N209 N217 I221 T244N209-G219 PolarHBondContact O-N 3.04Å; N217-G219 PolarHBondContact O-N 2.89Å; G219-I221 PolarHBondContact O-N 3.18Å; G219-T244 VanDerWaalsContact O-CA 3.32Å; G219-T244 WeakPolarHBondContact O-CA 3.38Å; G219-T244 WeakPolarHBondContact O-CB 3.45Å; G219-T244 WeakPolarHBondContact O-CG2 3.07Å
220K95.1Very high93.2Very high87 Ų8759.3 Ų59.338%0.37828%0.281SS..  trans-63.5123.8178.6-174.9178.8179.81790109.8M208 N209 N217 Q218 G243M208-K220 CarbonylContact C-O 3.59Å; M208-K220 VanDerWaalsContact CA-O 3.25Å; M208-K220 WeakPolarHBondContact CA-O 3.38Å; M208-K220 WeakPolarHBondContact CB-O 2.98Å; N209-K220 PolarHBondContact N-O 2.88Å; N217-K220 WeakPolarHBondContact O-CB 3.4Å; N217-K220 PolarHBondContact O-N 2.87Å; Q218-K220 PolarHBondContact O-N 3.49Å; K220-G243 CarbonylContact C-O 3.6Å; K220-G243 WeakPolarHBondContact CA-O 3.49Å
221I96.5Very high93.4Very high5 Ų564.3 Ų64.33%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-74.9129.9178-58.4-178.1000108.8I206 G219 I241 G243 D245 F262I206-I221 HydrophobicContact CG2-CD1 4.06Å; I206-I221 HydrophobicContact CG2-CG1 4.12Å; I206-I221 HydrophobicContact CG2-CG2 4.09Å; G219-I221 PolarHBondContact O-N 3.18Å; I221-I241 HydrophobicContact CB-CG2 4.01Å; I221-I241 HydrophobicContact CG2-CG2 3.66Å; I221-G243 PolarHBondContact N-O 3.07Å; I221-D245 HydrophobicContact CD1-CB 4.17Å; I221-F262 HydrophobicContact CD1-CB 3.98Å; I221-F262 HydrophobicContact CD1-CD1 3.74Å; I221-F262 HydrophobicContact CD1-CG 4.33Å
222L96.6Very high93.6Very high63 Ų6367.9 Ų67.933%0.3332%0.321SS..EExtended strand (participates in β ladder)trans-102.9-41.2178.8-57.1179.3000110.6T99 L207 N209T99-L222 HydrophobicContact CG2-CD1 3.54Å; L207-L222 HydrophobicContact CD2-CB 4.3Å; L207-L222 HydrophobicContact CG-CB 4.47Å; L207-L222 PolarHBondContact O-N 2.78Å; N209-L222 HydrophobicContact CB-CD1 4.35Å
223E97.1Very high94.1Very high69 Ų6965.5 Ų65.532%0.32231%0.308SS..EExtended strand (participates in β ladder)trans-139.8143.5177.2-57.9176-176.100111L207 Q227 N228L207-E223 HydrophobicContact CB-CB 3.93Å; L207-E223 HydrophobicContact CD2-CB 4.33Å; L207-E223 HydrophobicContact CD2-CG 4.02Å; L207-E223 PolarHBondContact N-O 2.66Å; L207-E223 PolarHBondContact O-N 3.27Å; E223-Q227 CarbonylContact C-O 3.51Å; E223-Q227 WeakPolarHBondContact CA-O 3.5Å; E223-N228 HydrophobicContact CG-CB 4.39Å
224F96.4Very high94.4Very high18 Ų1862.4 Ų62.48%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-121.6126.1168.8176.1-108.4000108P204 I206 H226 Q227 L230 I241 F262 Y264P204-F224 HydrophobicContact CB-CE2 3.88Å; P204-F224 HydrophobicContact CB-CZ 3.93Å; P204-F224 HydrophobicContact CG-CE2 4.16Å; P204-F224 HydrophobicContact CG-CZ 3.84Å; I206-F224 HydrophobicContact CG1-CD2 4.15Å; F224-H226 PolarHBondContact O-N 3.22Å; F224-Q227 PolarHBondContact N-O 2.66Å; F224-Q227 PolarHBondContact O-N 2.84Å; F224-L230 HydrophobicContact CD1-CD2 4.15Å; F224-I241 HydrophobicContact CB-CD1 3.71Å; F224-F262 HydrophobicContact CB-CE1 3.82Å; F224-F262 HydrophobicContact CB-CZ 4.21Å; F224-F262 HydrophobicContact CD1-CE1 4.08Å; F224-F262 AromaticContact CD1-CZ 3.95Å; F224-F262 HydrophobicContact CD1-CZ 3.95Å; F224-F262 AromaticContact CD2-CE1 3.68Å; F224-F262 HydrophobicContact CD2-CE1 3.68Å; F224-F262 HydrophobicContact CD2-CZ 4.37Å; F224-F262 HydrophobicContact CE1-CZ 4.4Å; F224-F262 HydrophobicContact CE2-CE1 4.22Å; F224-F262 AromaticContact CG-CE1 3.59Å; F224-F262 HydrophobicContact CG-CE1 3.59Å; F224-F262 AromaticContact CG-CZ 3.92Å; F224-F262 HydrophobicContact CG-CZ 3.92Å; F224-Y264 HydrophobicContact CE2-CG 4.19Å; F224-Y264 HydrophobicContact CZ-CD2 4.49Å; F224-Y264 HydrophobicContact CZ-CG 4.4Å
225H95.2Very high94.7Very high112 Ų11261.7 Ų61.752%0.51930%0.3SS..THydrogen-bonded Turntrans53.142-176.3-159-46.3000112.5P204 T205 Q227P204-H225 HydrophobicContact CB-CB 4.09Å; T205-H225 PolarHBondContact O-N 2.88Å; H225-Q227 PolarHBondContact O-N 3.04Å; H225-Q227 VanDerWaalsContact O-N 3.16Å
226H95.8Very high95Very high111 Ų11168.3 Ų68.351%0.51433%0.33SS..THydrogen-bonded Turntrans59.820.7-177.6-49.3-70.3000114.5E101 F224E101-H226 IonicContact OE1-CE1 2.66Å; E101-H226 PolarHBondContact OE1-CE1 3.16Å; E101-H226 VanDerWaalsContact OE1-CE1 3.32Å; E101-H226 IonicContact OE1-ND1 2.84Å; F224-H226 PolarHBondContact O-N 3.22Å
227Q96.8Very high95.2Very high84 Ų8469 Ų6939%0.39334%0.337SS..BIsolated β-bridgetrans-118.7138.5172.9-60.7-174.3-1900109.7E223 F224 H225 H229E223-Q227 CarbonylContact C-O 3.51Å; E223-Q227 WeakPolarHBondContact CA-O 3.5Å; F224-Q227 PolarHBondContact N-O 2.66Å; F224-Q227 PolarHBondContact O-N 2.84Å; H225-Q227 PolarHBondContact O-N 3.04Å; H225-Q227 VanDerWaalsContact O-N 3.16Å; Q227-H229 VanDerWaalsContact C-N 3.33Å; Q227-H229 WeakPolarHBondContact CB-O 3.42Å; Q227-H229 PolarHBondContact OE1-O 2.87Å
228N96.2Very high95.4Very high109 Ų10966.8 Ų66.858%0.58333%0.325SS*.SBendtrans-88.3-1.7176.263.92.3000113.3E223E223-N228 HydrophobicContact CG-CB 4.39Å
229H96.8Very high95.7Very high102 Ų10267.2 Ų67.247%0.47233%0.328SS..BIsolated β-bridgetrans-149.1159173.962.4-75.2000109.2Q227 N239Q227-H229 VanDerWaalsContact C-N 3.33Å; Q227-H229 WeakPolarHBondContact CB-O 3.42Å; Q227-H229 PolarHBondContact OE1-O 2.87Å; H229-N239 WeakPolarHBondContact CA-O 3.41Å
230L96.5Very high95.9Very high3 Ų371.3 Ų71.32%0.01635%0.348CS..  trans-85.1166.2174.8-51.1172000110.5F224 Y232 N239 I241 F262 C267F224-L230 HydrophobicContact CD1-CD2 4.15Å; L230-Y232 HydrophobicContact CB-CD2 4Å; L230-Y232 HydrophobicContact CD1-CD2 4.47Å; L230-Y232 HydrophobicContact CD2-CD2 4.45Å; L230-Y232 HydrophobicContact CD2-CE2 4.28Å; L230-N239 HydrophobicContact CB-CB 4.15Å; L230-N239 WeakPolarHBondContact CB-OD1 3.18Å; L230-N239 PolarHBondContact N-O 2.93Å; L230-N239 WeakPolarHBondContact O-CB 3.35Å; L230-N239 PolarHBondContact O-OD1 3.48Å; L230-N239 VanDerWaalsContact O-OD1 3.11Å; L230-I241 HydrophobicContact CD2-CD1 4Å; L230-I241 HydrophobicContact CD2-CG1 3.93Å; L230-I241 HydrophobicContact CG-CD1 4.41Å; L230-I241 HydrophobicContact CG-CG1 3.91Å; L230-F262 HydrophobicContact CD1-CE2 3.75Å; L230-F262 HydrophobicContact CD1-CZ 4.4Å; L230-F262 HydrophobicContact CD2-CE2 4.01Å; L230-F262 HydrophobicContact CD2-CZ 3.84Å; L230-F262 HydrophobicContact CG-CE2 4.35Å; L230-C267 WeakPolarHBondContact CD1-O 3.41Å
231N95Very high96Very high107 Ų10767.9 Ų67.957%0.57233%0.333SS*.SBendtrans-125.418.9175.962.5-12.6000112.5
232Y94.5Very high96Very high75 Ų7569.9 Ų69.929%0.29434%0.344SS..SBendtrans-88.1-28.5-177.9-56.1-60.4000112.7L230 N239 C267 S324 C325L230-Y232 HydrophobicContact CB-CD2 4Å; L230-Y232 HydrophobicContact CD1-CD2 4.47Å; L230-Y232 HydrophobicContact CD2-CD2 4.45Å; L230-Y232 HydrophobicContact CD2-CE2 4.28Å; Y232-N239 PolarHBondContact N-OD1 3.1Å; Y232-C267 HydrophobicContact CD2-CB 3.82Å; Y232-C267 HydrophobicContact CE2-CB 4.15Å; Y232-C267 HydrophobicContact CG-CB 4.43Å; Y232-S324 VanDerWaalsContact O-CB 3.25Å; Y232-S324 WeakPolarHBondContact O-CB 3.29Å; Y232-S324 PolarHBondContact O-OG 3.32Å; Y232-C325 HydrophobicContact CD1-CB 3.48Å; Y232-C325 VanDerWaalsContact CD1-CB 3.48Å; Y232-C325 HydrophobicContact CD2-CB 4.06Å; Y232-C325 HydrophobicContact CE1-CB 3.76Å; Y232-C325 HydrophobicContact CE2-CB 4.3Å; Y232-C325 HydrophobicContact CG-CB 3.65Å
233W96Very high95.9Very high14 Ų1467.6 Ų67.65%0.05334%0.336CS..SBendtrans-106.3164.8-168.9-51.7113.3000112.4A238 N239 C267 R268 G306 F307 L309 L320W233-A238 HydrophobicContact CB-CB 3.48Å; W233-A238 VanDerWaalsContact CB-CB 3.48Å; W233-A238 HydrophobicContact CG-CB 3.98Å; W233-N239 PolarHBondContact N-OD1 3.25Å; W233-N239 PolarHBondContact O-ND2 2.99Å; W233-C267 HydrophobicContact CZ2-CB 4.13Å; W233-C267 PolarHBondContact NE1-O 3.28Å; W233-R268 HydrophobicContact CZ2-CB 4.29Å; W233-G306 WeakPolarHBondContact CB-O 3.31Å; W233-F307 AromaticContact CD1-CE1 3.82Å; W233-F307 AromaticContact CD2-CD1 3.48Å; W233-F307 HydrophobicContact CD2-CD1 3.48Å; W233-F307 VanDerWaalsContact CD2-CD1 3.48Å; W233-F307 AromaticContact CD2-CE1 3.79Å; W233-F307 HydrophobicContact CD2-CE1 3.79Å; W233-F307 AromaticContact CE2-CD1 3.72Å; W233-F307 AromaticContact CE2-CE1 3.76Å; W233-F307 AromaticContact CE3-CD1 3.69Å; W233-F307 HydrophobicContact CE3-CD1 3.69Å; W233-F307 HydrophobicContact CE3-CE1 4.45Å; W233-F307 AromaticContact CG-CD1 3.88Å; W233-F307 HydrophobicContact CG-CD1 3.88Å; W233-F307 AromaticContact CG-CE1 3.82Å; W233-F307 HydrophobicContact CG-CE1 3.82Å; W233-F307 HydrophobicContact CH2-CD1 4.29Å; W233-F307 HydrophobicContact CZ2-CD1 4.12Å; W233-F307 HydrophobicContact CZ2-CE1 4.38Å; W233-F307 HydrophobicContact CZ3-CD1 4.09Å; W233-F307 AromaticContact NE1-CE1 3.77Å; W233-L309 HydrophobicContact CE3-CD2 4.12Å; W233-L309 HydrophobicContact CZ3-CD2 4.35Å; W233-L320 HydrophobicContact CH2-CD1 3.93Å; W233-L320 HydrophobicContact CH2-CG 4.37Å; W233-L320 HydrophobicContact CZ3-CD1 4.31Å
234T95.2Very high95.8Very high82 Ų8264.9 Ų64.950%0.50332%0.324SS..SBendtrans-81.9-16.3-171.659.60000113.5G306 L309T234-G306 PolarHBondContact N-O 3.22Å; T234-G306 VanDerWaalsContact OG1-CA 3.31Å; T234-G306 WeakPolarHBondContact OG1-CA 3.06Å; T234-G306 PolarHBondContact OG1-O 3.23Å; T234-G306 VanDerWaalsContact OG1-O 3.07Å; T234-L309 HydrophobicContact CG2-CD2 4.31Å
235T95Very high95.5Very high53 Ų5365.5 Ų65.533%0.32533%0.328SS..SBendtrans-122.3155.8-179.270.10000112.4I237 A238 N239 G306T235-I237 VanDerWaalsContact C-N 3.28Å; T235-I237 PolarHBondContact O-N 2.79Å; T235-A238 PolarHBondContact O-N 3.23Å; T235-A238 WeakPolarHBondContact OG1-CB 3.42Å; T235-A238 PolarHBondContact OG1-N 2.78Å; T235-N239 PolarHBondContact O-N 3.05Å; T235-N239 PolarHBondContact O-ND2 2.99Å; T235-G306 WeakPolarHBondContact OG1-CA 3.26Å
236K95.4Very high95.3Very high188 Ų18861 Ų6182%0.81731%0.312SS*.THydrogen-bonded Turntrans-59.3-39.5175.6-67.2-176.9179.2-179.60112.2N239 M240K236-N239 PolarHBondContact O-N 3.48Å; K236-M240 WeakPolarHBondContact O-CG 3.17Å; K236-M240 PolarHBondContact O-N 2.91Å
237I94.5Very high94.7Very high110 Ų11058.1 Ų58.156%0.56430%0.302SS*.THydrogen-bonded Turntrans-64.9-45.6-178.7-63.8170.6000110.9T235 N239 M240T235-I237 VanDerWaalsContact C-N 3.28Å; T235-I237 PolarHBondContact O-N 2.79Å; I237-N239 PolarHBondContact O-N 2.85Å; I237-M240 HydrophobicContact CG1-CE 4.49Å; I237-M240 WeakPolarHBondContact O-CB 3.29Å; I237-M240 PolarHBondContact O-N 2.91Å; I237-M240 VanDerWaalsContact O-N 3.16Å
238A96Very high94.1Very high5 Ų554.9 Ų54.94%0.04129%0.287CS..THydrogen-bonded Turntrans-65.2-27.3179.200000112.8W233 T235 F307W233-A238 HydrophobicContact CB-CB 3.48Å; W233-A238 VanDerWaalsContact CB-CB 3.48Å; W233-A238 HydrophobicContact CG-CB 3.98Å; T235-A238 PolarHBondContact O-N 3.23Å; T235-A238 WeakPolarHBondContact OG1-CB 3.42Å; T235-A238 PolarHBondContact OG1-N 2.78Å; A238-F307 HydrophobicContact CB-CD1 4.14Å; A238-F307 HydrophobicContact CB-CD2 4.46Å; A238-F307 HydrophobicContact CB-CE1 3.65Å; A238-F307 HydrophobicContact CB-CE2 3.97Å; A238-F307 HydrophobicContact CB-CZ 3.54Å
239N97Very high93.7Very high14 Ų1449.9 Ų49.98%0.07526%0.26CS..THydrogen-bonded Turntrans-86.41.2177-76.7-52.7000114.7H229 L230 Y232 W233 T235 K236 I237H229-N239 WeakPolarHBondContact CA-O 3.41Å; L230-N239 HydrophobicContact CB-CB 4.15Å; L230-N239 WeakPolarHBondContact CB-OD1 3.18Å; L230-N239 PolarHBondContact N-O 2.93Å; L230-N239 WeakPolarHBondContact O-CB 3.35Å; L230-N239 PolarHBondContact O-OD1 3.48Å; L230-N239 VanDerWaalsContact O-OD1 3.11Å; Y232-N239 PolarHBondContact N-OD1 3.1Å; W233-N239 PolarHBondContact N-OD1 3.25Å; W233-N239 PolarHBondContact O-ND2 2.99Å; T235-N239 PolarHBondContact O-N 3.05Å; T235-N239 PolarHBondContact O-ND2 2.99Å; K236-N239 PolarHBondContact O-N 3.48Å; I237-N239 PolarHBondContact O-N 2.85Å
240M97.4Very high93.4Very high87 Ų8745.8 Ų45.843%0.42924%0.241SC..BIsolated β-bridgetrans-69.9133.9176.7-68.9-179.5175.100111.4K236 I237 S269K236-M240 WeakPolarHBondContact O-CG 3.17Å; K236-M240 PolarHBondContact O-N 2.91Å; I237-M240 HydrophobicContact CG1-CE 4.49Å; I237-M240 WeakPolarHBondContact O-CB 3.29Å; I237-M240 PolarHBondContact O-N 2.91Å; I237-M240 VanDerWaalsContact O-N 3.16Å; M240-S269 PolarHBondContact O-OG 3.2Å
241I97.2Very high93.1Very high14 Ų1445.7 Ų45.77%0.07224%0.241CC..  trans-89.9106.6169.2-59.1167.7000107.2I221 F224 L230 F262I221-I241 HydrophobicContact CB-CG2 4.01Å; I221-I241 HydrophobicContact CG2-CG2 3.66Å; F224-I241 HydrophobicContact CB-CD1 3.71Å; L230-I241 HydrophobicContact CD2-CD1 4Å; L230-I241 HydrophobicContact CD2-CG1 3.93Å; L230-I241 HydrophobicContact CG-CD1 4.41Å; L230-I241 HydrophobicContact CG-CG1 3.91Å; I241-F262 HydrophobicContact CG1-CE2 4.26Å; I241-F262 HydrophobicContact CG1-CZ 4.45Å; I241-F262 HydrophobicContact CG2-CB 4.26Å; I241-F262 HydrophobicContact CG2-CD1 4.05Å; I241-F262 HydrophobicContact CG2-CD2 4.06Å; I241-F262 HydrophobicContact CG2-CE1 4.44Å; I241-F262 HydrophobicContact CG2-CE2 4.49Å; I241-F262 HydrophobicContact CG2-CG 3.83Å
242N96.3Very high92.8Very high48 Ų4842.6 Ų42.626%0.25722%0.222SC..  trans-121141.1-175-70.2-36.8000110.5Y260 F262 S269N242-Y260 HydrophobicContact CB-CD1 3.94Å; N242-Y260 HydrophobicContact CB-CD2 4.25Å; N242-Y260 HydrophobicContact CB-CG 3.75Å; N242-Y260 WeakPolarHBondContact O-CB 3.36Å; N242-F262 PolarHBondContact O-N 3.31Å; N242-S269 PolarHBondContact N-OG 2.65Å
243G94.7Very high92.7Very high15 Ų1539.5 Ų39.516%0.15521%0.211CC..SBendtrans84.5-153.9170.900000114.2K220 I221 Y260K220-G243 CarbonylContact C-O 3.6Å; K220-G243 WeakPolarHBondContact CA-O 3.49Å; I221-G243 PolarHBondContact N-O 3.07Å; G243-Y260 VanDerWaalsContact CA-O 3.22Å; G243-Y260 WeakPolarHBondContact CA-O 3.41Å
244T93.7Very high92.3Very high12 Ų1242.7 Ų42.77%0.07423%0.229CC..BIsolated β-bridgetrans-106.7-178.8-176.274.70000111.3G219 G246 I248 Y260 V261 F262G219-T244 VanDerWaalsContact O-CA 3.32Å; G219-T244 WeakPolarHBondContact O-CA 3.38Å; G219-T244 WeakPolarHBondContact O-CB 3.45Å; G219-T244 WeakPolarHBondContact O-CG2 3.07Å; T244-G246 PolarHBondContact O-N 2.84Å; T244-G246 PolarHBondContact OG1-N 3.19Å; T244-G246 VanDerWaalsContact OG1-N 3.1Å; T244-I248 WeakPolarHBondContact CB-O 3.39Å; T244-I248 WeakPolarHBondContact CG2-O 3.33Å; T244-I248 PolarHBondContact OG1-O 2.83Å; T244-Y260 PolarHBondContact N-O 2.85Å; T244-V261 CarbonylContact O-C 3.53Å; T244-V261 WeakPolarHBondContact O-CA 3.45Å; T244-F262 PolarHBondContact O-N 3.26Å
245D91.3Very high91.9Very high31 Ų3144.5 Ų44.517%0.16623%0.23CC..  trans-75.81.9170.369.9-8.5000113K88 Y102 I221 T247K88-D245 IonicContact NZ-OD2 2.83Å; K88-D245 PolarHBondContact NZ-OD2 3.45Å; Y102-D245 PolarHBondContact OH-OD2 3.09Å; I221-D245 HydrophobicContact CD1-CB 4.17Å; D245-T247 VanDerWaalsContact C-N 3.29Å; D245-T247 PolarHBondContact O-N 2.81Å; D245-T247 WeakPolarHBondContact OD1-CB 3.32Å; D245-T247 PolarHBondContact OD1-N 3.2Å; D245-T247 PolarHBondContact OD1-OG1 2.85Å; D245-T247 PolarHBondContact OD2-OG1 3.47Å; D245-T247 VanDerWaalsContact OD2-OG1 3.07Å
246G89.3Confident91.7Very high17 Ų1748.2 Ų48.218%0.17525%0.252CS..SBendtrans79.94.6-178.500000114.4T244 I372T244-G246 PolarHBondContact O-N 2.84Å; T244-G246 PolarHBondContact OG1-N 3.19Å; T244-G246 VanDerWaalsContact OG1-N 3.1Å; G246-I372 WeakPolarHBondContact O-CD1 3.41Å
247T85Confident91.5Very high50 Ų5041.6 Ų41.631%0.30722%0.224SC..SBendtrans-95.3-27.7177.169.90000113.2D245D245-T247 VanDerWaalsContact C-N 3.29Å; D245-T247 PolarHBondContact O-N 2.81Å; D245-T247 WeakPolarHBondContact OD1-CB 3.32Å; D245-T247 PolarHBondContact OD1-N 3.2Å; D245-T247 PolarHBondContact OD1-OG1 2.85Å; D245-T247 PolarHBondContact OD2-OG1 3.47Å; D245-T247 VanDerWaalsContact OD2-OG1 3.07Å
248I83Confident91.5Very high16 Ų1642 Ų428%0.08222%0.221CC..  trans-133136.8179.7-63.2-180000108.9L34 W44 Q218 T244L34-I248 HydrophobicContact CD1-CD1 3.94Å; L34-I248 HydrophobicContact CD2-CD1 3.78Å; L34-I248 HydrophobicContact CG-CD1 4.23Å; W44-I248 HydrophobicContact CB-CD1 4Å; W44-I248 HydrophobicContact CG-CD1 3.75Å; Q218-I248 HydrophobicContact CG-CG2 4Å; T244-I248 WeakPolarHBondContact CB-O 3.39Å; T244-I248 WeakPolarHBondContact CG2-O 3.33Å; T244-I248 PolarHBondContact OG1-O 2.83Å
249Y88.9Confident91.4Very high5 Ų542.3 Ų42.32%0.0222%0.223CC..  trans-116163167.6-60.9-88.1000109.6M253 P259 V261 L272 I365 I372Y249-M253 HydrophobicContact CG-SD 4.46Å; Y249-P259 HydrophobicContact CD1-CB 4.02Å; Y249-P259 HydrophobicContact CD1-CG 4.38Å; Y249-P259 HydrophobicContact CE1-CB 3.91Å; Y249-P259 HydrophobicContact CE1-CG 4.09Å; Y249-V261 HydrophobicContact CE1-CG2 4.33Å; Y249-V261 WeakPolarHBondContact OH-CG2 3.32Å; Y249-L272 HydrophobicContact CE1-CD1 4.4Å; Y249-L272 WeakPolarHBondContact OH-CD1 3.22Å; Y249-I365 HydrophobicContact CD1-CD1 4.32Å; Y249-I365 HydrophobicContact CD2-CD1 3.67Å; Y249-I365 HydrophobicContact CD2-CG1 4.37Å; Y249-I365 HydrophobicContact CD2-CG2 4.5Å; Y249-I365 HydrophobicContact CE1-CD1 4.21Å; Y249-I365 HydrophobicContact CE2-CD1 3.54Å; Y249-I365 HydrophobicContact CE2-CG1 4.32Å; Y249-I365 HydrophobicContact CG-CD1 4.06Å; Y249-I372 HydrophobicContact CD2-CD1 4.35Å; Y249-I372 HydrophobicContact CD2-CG1 4.06Å; Y249-I372 HydrophobicContact CE2-CD1 3.8Å; Y249-I372 HydrophobicContact CE2-CG1 3.81Å
250H90Very high91.4Very high16 Ų1645 Ų457%0.07423%0.233CC..  trans-75.4161.5178.66383.3000112Y215 Q218 M253 E257Y215-H250 WeakPolarHBondContact O-CB 3.44Å; Q218-H250 HydrophobicContact CB-CB 4.39Å; H250-M253 WeakPolarHBondContact O-CG 3.38Å; H250-E257 IonicContact CE1-OE1 2.7Å; H250-E257 PolarHBondContact CE1-OE1 3.25Å; H250-E257 IonicContact CE1-OE2 3.54Å; H250-E257 PolarHBondContact CE1-OE2 3.01Å; H250-E257 IonicContact NE2-OE1 3.9Å; H250-E257 PolarHBondContact NE2-OE1 3.4Å; H250-E257 IonicContact NE2-OE2 2.77Å; H250-E257 PolarHBondContact NE2-OE2 3.05Å
251L89.2Confident91.3Very high0 Ų041.6 Ų41.60%022%0.217CC..SBendtrans-67.1154.2174.7-56.8173.4000111.8H29 L32 Y215 I368 T369H29-L251 HydrophobicContact CB-CD1 4.35Å; L32-L251 HydrophobicContact CB-CD1 4.15Å; L32-L251 HydrophobicContact CB-CD2 3.64Å; L32-L251 HydrophobicContact CB-CG 4.41Å; L32-L251 HydrophobicContact CD1-CD2 3.47Å; L32-L251 VanDerWaalsContact CD1-CD2 3.47Å; L32-L251 HydrophobicContact CG-CD2 4.21Å; Y215-L251 HydrophobicContact CD2-CB 4.03Å; Y215-L251 WeakPolarHBondContact CD2-O 3.42Å; Y215-L251 VanDerWaalsContact CE2-O 3.29Å; Y215-L251 WeakPolarHBondContact CE2-O 3.44Å; L251-I368 WeakPolarHBondContact CA-O 3.45Å; L251-T369 WeakPolarHBondContact CD2-O 3.36Å
252F90.1Very high91.3Very high42 Ų4241.1 Ų41.118%0.18421%0.214CC..SBendtrans5458.2173.6-44.4-71.5000112.4W25 L28 Y215 P367 I368W25-F252 HydrophobicContact CB-CZ 4.35Å; W25-F252 AromaticContact CD1-CD1 3.88Å; W25-F252 AromaticContact CD1-CD2 3.93Å; W25-F252 AromaticContact CD1-CE1 3.32Å; W25-F252 AromaticContact CD1-CE2 3.4Å; W25-F252 AromaticContact CD1-CZ 3.06Å; W25-F252 HydrophobicContact CD2-CE2 4.29Å; W25-F252 HydrophobicContact CD2-CZ 4.28Å; W25-F252 AromaticContact CE2-CE2 3.61Å; W25-F252 HydrophobicContact CG-CE1 4.2Å; W25-F252 HydrophobicContact CG-CE2 4.14Å; W25-F252 AromaticContact CG-CZ 3.7Å; W25-F252 HydrophobicContact CG-CZ 3.7Å; W25-F252 HydrophobicContact CZ2-CE2 4.22Å; W25-F252 AromaticContact NE1-CD2 3.33Å; W25-F252 VanDerWaalsContact NE1-CD2 3.33Å; W25-F252 AromaticContact NE1-CE1 3.79Å; W25-F252 AromaticContact NE1-CE2 3.01Å; W25-F252 AromaticContact NE1-CG 3.86Å; W25-F252 AromaticContact NE1-CZ 3.28Å; W25-F252 VanDerWaalsContact NE1-CZ 3.28Å; L28-F252 HydrophobicContact CB-CZ 4.37Å; L28-F252 HydrophobicContact CD1-CE1 4.5Å; Y215-F252 HydrophobicContact CD2-CD2 4.33Å; Y215-F252 HydrophobicContact CE2-CB 4.48Å; Y215-F252 AromaticContact CE2-CD2 3.98Å; Y215-F252 HydrophobicContact CE2-CD2 3.98Å; F252-P367 CarbonylContact C-O 3.54Å; F252-P367 WeakPolarHBondContact CA-O 3.29Å; F252-P367 PolarHBondContact N-O 3.5Å; F252-I368 HydrophobicContact CD1-CG2 3.99Å; F252-I368 HydrophobicContact CE1-CG2 3.71Å; F252-I368 PolarHBondContact N-O 3.43Å
253M90.8Very high91.2Very high11 Ų1139.9 Ų39.95%0.05421%0.211CC..  trans-62.9135.1179.6-68.3-170.170.800111.9Y249 H250 P259 Y288 I365 P367Y249-M253 HydrophobicContact CG-SD 4.46Å; H250-M253 WeakPolarHBondContact O-CG 3.38Å; M253-P259 HydrophobicContact CE-CB 4.45Å; M253-P259 HydrophobicContact CE-CG 4.02Å; M253-Y288 HydrophobicContact CE-CE2 4.17Å; M253-I365 HydrophobicContact SD-CD1 4.39Å; M253-I365 HydrophobicContact SD-CG2 3.68Å; M253-P367 PolarHBondContact N-O 2.82Å
254D89.1Confident91.1Very high81 Ų8141 Ų4143%0.43321%0.211SC..  trans-77.4144.5179.9-71-46.8000110.6K216 V256 E257K216-D254 IonicContact NZ-OD2 2.76Å; D254-V256 PolarHBondContact O-N 3.34Å; D254-E257 HydrophobicContact CB-CB 4.15Å; D254-E257 PolarHBondContact N-OE2 2.9Å; D254-E257 WeakPolarHBondContact O-CB 3.49Å; D254-E257 PolarHBondContact O-N 2.76Å
255K86Confident90.9Very high120 Ų12043.6 Ų43.652%0.52222%0.224SC..THydrogen-bonded Turntrans-59.4-22.9-177.7-78.4-171.2178.1-157.50115.3K274 E277 Y286K255-K274 WeakPolarHBondContact O-CE 3.47Å; K255-K274 PolarHBondContact O-NZ 3.49Å; K255-E277 IonicContact NZ-OE2 3.43Å; K255-Y286 HydrophobicContact CG-CE2 4.44Å; K255-Y286 VanDerWaalsContact CG-OH 3.3Å; K255-Y286 WeakPolarHBondContact CG-OH 3.42Å
256V90.7Very high91.1Very high131 Ų13142.6 Ų42.679%0.79422%0.219SC*.THydrogen-bonded Turntrans-107.75.2-177.4-64.60000112.2D254D254-V256 PolarHBondContact O-N 3.34Å
257E92.2Very high91.3Very high49 Ų4942.4 Ų42.423%0.22921%0.214CC..  trans-67.6139.3-177.4-173.6147.8-148.100112.1H250 D254 P259 Y288H250-E257 IonicContact CE1-OE1 2.7Å; H250-E257 PolarHBondContact CE1-OE1 3.25Å; H250-E257 IonicContact CE1-OE2 3.54Å; H250-E257 PolarHBondContact CE1-OE2 3.01Å; H250-E257 IonicContact NE2-OE1 3.9Å; H250-E257 PolarHBondContact NE2-OE1 3.4Å; H250-E257 IonicContact NE2-OE2 2.77Å; H250-E257 PolarHBondContact NE2-OE2 3.05Å; D254-E257 HydrophobicContact CB-CB 4.15Å; D254-E257 PolarHBondContact N-OE2 2.9Å; D254-E257 WeakPolarHBondContact O-CB 3.49Å; D254-E257 PolarHBondContact O-N 2.76Å; E257-P259 WeakPolarHBondContact O-CD 3.2Å; E257-Y288 WeakPolarHBondContact O-CE1 3.2Å; E257-Y288 PolarHBondContact O-OH 2.84Å
258K93.9Very high91.9Very high117 Ų11740.6 Ų40.651%0.50920%0.202SC..  trans-122.277.8178.5-64.8-175.1-178.8-174.80109Q271 L272K258-Q271 HydrophobicContact CB-CG 4.01Å; K258-Q271 PolarHBondContact O-NE2 3.19Å; K258-Q271 VanDerWaalsContact O-NE2 3.12Å; K258-L272 VanDerWaalsContact CA-O 3.29Å; K258-L272 WeakPolarHBondContact CA-O 3.35Å; K258-L272 WeakPolarHBondContact CB-O 3.48Å
259P94.3Very high92.5Very high13 Ų1340.4 Ų40.48%0.08420%0.202CC..  trans-64.7145-172.127.5-33.2000110.2Y249 M253 E257 L272 Y288Y249-P259 HydrophobicContact CD1-CB 4.02Å; Y249-P259 HydrophobicContact CD1-CG 4.38Å; Y249-P259 HydrophobicContact CE1-CB 3.91Å; Y249-P259 HydrophobicContact CE1-CG 4.09Å; M253-P259 HydrophobicContact CE-CB 4.45Å; M253-P259 HydrophobicContact CE-CG 4.02Å; E257-P259 WeakPolarHBondContact O-CD 3.2Å; P259-L272 HydrophobicContact CG-CB 4.09Å; P259-L272 HydrophobicContact CG-CD1 4.22Å; P259-L272 PolarHBondContact O-N 3.43Å; P259-Y288 HydrophobicContact CG-CD1 4.33Å; P259-Y288 HydrophobicContact CG-CE1 4.06Å
260Y95.6Very high92.9Very high70 Ų7041.1 Ų41.128%0.27521%0.206SC..EExtended strand (participates in β ladder)trans-91.9147.5171.2-77.9-86.6000110N242 G243 T244 I270 Q271N242-Y260 HydrophobicContact CB-CD1 3.94Å; N242-Y260 HydrophobicContact CB-CD2 4.25Å; N242-Y260 HydrophobicContact CB-CG 3.75Å; N242-Y260 WeakPolarHBondContact O-CB 3.36Å; G243-Y260 VanDerWaalsContact CA-O 3.22Å; G243-Y260 WeakPolarHBondContact CA-O 3.41Å; T244-Y260 PolarHBondContact N-O 2.85Å; Y260-I270 CarbonylContact C-O 3.13Å; Y260-I270 WeakPolarHBondContact CA-O 3.32Å; Y260-I270 WeakPolarHBondContact CD1-O 3.32Å; Y260-Q271 HydrophobicContact CD1-CB 3.9Å; Y260-Q271 HydrophobicContact CD1-CG 4.23Å; Y260-Q271 HydrophobicContact CE1-CB 3.67Å; Y260-Q271 HydrophobicContact CE1-CG 3.99Å; Y260-Q271 HydrophobicContact CE2-CG 4.29Å; Y260-Q271 HydrophobicContact CG-CG 4.49Å; Y260-Q271 VanDerWaalsContact CZ-CD 3.48Å; Y260-Q271 PolarHBondContact OH-OE1 3.2Å
261V96Very high93.1Very high16 Ų1641.7 Ų41.710%0.09721%0.209CC..EExtended strand (participates in β ladder)trans-125.1127.9168.9176.70000107.4T244 Y249 A263 S269 I270 L272T244-V261 CarbonylContact O-C 3.53Å; T244-V261 WeakPolarHBondContact O-CA 3.45Å; Y249-V261 HydrophobicContact CE1-CG2 4.33Å; Y249-V261 WeakPolarHBondContact OH-CG2 3.32Å; V261-A263 PolarHBondContact O-N 2.86Å; V261-S269 WeakPolarHBondContact O-CA 3.48Å; V261-I270 HydrophobicContact CB-CG1 4.07Å; V261-I270 PolarHBondContact N-O 2.89Å; V261-I270 WeakPolarHBondContact O-CG1 3.36Å; V261-I270 PolarHBondContact O-N 2.75Å; V261-L272 HydrophobicContact CG2-CD1 4.02Å; V261-L272 HydrophobicContact CG2-CG 4.37Å
262F96.6Very high93.4Very high3 Ų341.8 Ų41.81%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-86.398.5170.7176.7-117000109.1I221 F224 L230 I241 N242 T244 Y264I221-F262 HydrophobicContact CD1-CB 3.98Å; I221-F262 HydrophobicContact CD1-CD1 3.74Å; I221-F262 HydrophobicContact CD1-CG 4.33Å; F224-F262 HydrophobicContact CB-CE1 3.82Å; F224-F262 HydrophobicContact CB-CZ 4.21Å; F224-F262 HydrophobicContact CD1-CE1 4.08Å; F224-F262 AromaticContact CD1-CZ 3.95Å; F224-F262 HydrophobicContact CD1-CZ 3.95Å; F224-F262 AromaticContact CD2-CE1 3.68Å; F224-F262 HydrophobicContact CD2-CE1 3.68Å; F224-F262 HydrophobicContact CD2-CZ 4.37Å; F224-F262 HydrophobicContact CE1-CZ 4.4Å; F224-F262 HydrophobicContact CE2-CE1 4.22Å; F224-F262 AromaticContact CG-CE1 3.59Å; F224-F262 HydrophobicContact CG-CE1 3.59Å; F224-F262 AromaticContact CG-CZ 3.92Å; F224-F262 HydrophobicContact CG-CZ 3.92Å; L230-F262 HydrophobicContact CD1-CE2 3.75Å; L230-F262 HydrophobicContact CD1-CZ 4.4Å; L230-F262 HydrophobicContact CD2-CE2 4.01Å; L230-F262 HydrophobicContact CD2-CZ 3.84Å; L230-F262 HydrophobicContact CG-CE2 4.35Å; I241-F262 HydrophobicContact CG1-CE2 4.26Å; I241-F262 HydrophobicContact CG1-CZ 4.45Å; I241-F262 HydrophobicContact CG2-CB 4.26Å; I241-F262 HydrophobicContact CG2-CD1 4.05Å; I241-F262 HydrophobicContact CG2-CD2 4.06Å; I241-F262 HydrophobicContact CG2-CE1 4.44Å; I241-F262 HydrophobicContact CG2-CE2 4.49Å; I241-F262 HydrophobicContact CG2-CG 3.83Å; N242-F262 PolarHBondContact O-N 3.31Å; T244-F262 PolarHBondContact O-N 3.26Å; F262-Y264 PolarHBondContact O-N 2.52Å
263A94.8Very high93.6Very high22 Ų2241.7 Ų41.718%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-85.289.5176.400000108.7V261 D265 L266 C267 R268 I270V261-A263 PolarHBondContact O-N 2.86Å; A263-D265 PolarHBondContact O-N 3.16Å; A263-L266 HydrophobicContact CB-CB 4Å; A263-L266 HydrophobicContact CB-CD1 4.08Å; A263-L266 HydrophobicContact CB-CG 4.07Å; A263-L266 CarbonylContact O-C 3.58Å; A263-L266 WeakPolarHBondContact O-CA 3.47Å; A263-L266 PolarHBondContact O-N 2.92Å; A263-C267 PolarHBondContact O-N 3.3Å; A263-C267 VanDerWaalsContact O-N 3.09Å; A263-R268 PolarHBondContact N-O 3.34Å; A263-R268 VanDerWaalsContact N-O 3.11Å; A263-R268 PolarHBondContact O-N 2.94Å; A263-I270 HydrophobicContact CB-CD1 4.18Å; A263-I270 HydrophobicContact CB-CG1 4.43Å
264Y92.7Very high93.8Very high38 Ų3844.2 Ų44.215%0.14922%0.221CC..G310 helixtrans-61.3-29.1-175.773.1-99.3000112.8K106 F224 F262 L266 C267K106-Y264 VanDerWaalsContact CE-OH 3.31Å; K106-Y264 WeakPolarHBondContact CE-OH 3.16Å; K106-Y264 PolarHBondContact NZ-OH 2.77Å; F224-Y264 HydrophobicContact CE2-CG 4.19Å; F224-Y264 HydrophobicContact CZ-CD2 4.49Å; F224-Y264 HydrophobicContact CZ-CG 4.4Å; F262-Y264 PolarHBondContact O-N 2.52Å; Y264-L266 VanDerWaalsContact C-N 3.27Å; Y264-L266 PolarHBondContact O-N 3.11Å; Y264-C267 PolarHBondContact O-N 2.85Å
265D90.6Very high94Very high68 Ų6845 Ų4536%0.36422%0.221SC..G310 helixtrans-69.9-22.9173.9-71-45000113.1R198 A263 M322R198-D265 IonicContact CZ-OD1 3.32Å; R198-D265 IonicContact NH1-OD1 3.79Å; R198-D265 PolarHBondContact NH1-OD1 3.18Å; R198-D265 IonicContact NH2-OD1 2.77Å; A263-D265 PolarHBondContact O-N 3.16Å; D265-M322 WeakPolarHBondContact O-CE 3.35Å
266L94.1Very high94.4Very high10 Ų1041 Ų415%0.05221%0.209CC..G310 helixtrans-92.2-0.5168.9-62.6-174.3000113A263 Y264 R268 I270 V333 L379A263-L266 HydrophobicContact CB-CB 4Å; A263-L266 HydrophobicContact CB-CD1 4.08Å; A263-L266 HydrophobicContact CB-CG 4.07Å; A263-L266 CarbonylContact O-C 3.58Å; A263-L266 WeakPolarHBondContact O-CA 3.47Å; A263-L266 PolarHBondContact O-N 2.92Å; Y264-L266 VanDerWaalsContact C-N 3.27Å; Y264-L266 PolarHBondContact O-N 3.11Å; L266-R268 HydrophobicContact CB-CG 4.2Å; L266-R268 PolarHBondContact O-N 3.34Å; L266-R268 VanDerWaalsContact O-N 3.09Å; L266-I270 HydrophobicContact CD1-CG2 4.4Å; L266-V333 HydrophobicContact CD2-CB 4.22Å; L266-V333 HydrophobicContact CD2-CG1 3.81Å; L266-V333 HydrophobicContact CD2-CG2 3.92Å; L266-L379 HydrophobicContact CD1-CD1 3.91Å; L266-L379 HydrophobicContact CD2-CD1 4.09Å; L266-L379 HydrophobicContact CG-CD1 4.24Å
267C95.1Very high94.6Very high12 Ų1239.5 Ų39.58%0.08119%0.193CC..THydrogen-bonded Turntrans56.626.4180-44.80000113.1L230 Y232 W233 A263 Y264 C325L230-C267 WeakPolarHBondContact CD1-O 3.41Å; Y232-C267 HydrophobicContact CD2-CB 3.82Å; Y232-C267 HydrophobicContact CE2-CB 4.15Å; Y232-C267 HydrophobicContact CG-CB 4.43Å; W233-C267 HydrophobicContact CZ2-CB 4.13Å; W233-C267 PolarHBondContact NE1-O 3.28Å; A263-C267 PolarHBondContact O-N 3.3Å; A263-C267 VanDerWaalsContact O-N 3.09Å; Y264-C267 PolarHBondContact O-N 2.85Å; C267-C325 HydrophobicContact CB-CB 3.44Å; C267-C325 VanDerWaalsContact CB-CB 3.44Å; C267-C325 WeakPolarHBondContact CB-SG 3.38Å; C267-C325 WeakPolarHBondContact SG-CB 3.36Å; C267-C325 CovalentContact SG-SG 2.04Å; C267-C325 PolarHBondContact SG-SG 3.38Å
268R96.2Very high94.7Very high12 Ų1239.6 Ų39.65%0.04520%0.197CC..EExtended strand (participates in β ladder)trans-156.4164.4-179.169.2176.4-73.9-178.2-6.7112.8W233 A263 L266 I270 T294 F307 L320W233-R268 HydrophobicContact CZ2-CB 4.29Å; A263-R268 PolarHBondContact N-O 3.34Å; A263-R268 VanDerWaalsContact N-O 3.11Å; A263-R268 PolarHBondContact O-N 2.94Å; L266-R268 HydrophobicContact CB-CG 4.2Å; L266-R268 PolarHBondContact O-N 3.34Å; L266-R268 VanDerWaalsContact O-N 3.09Å; R268-I270 HydrophobicContact CG-CG2 4.21Å; R268-T294 PolarHBondContact NH1-O 2.76Å; R268-T294 PolarHBondContact NH2-O 3.18Å; R268-F307 HydrophobicContact CB-CE1 3.86Å; R268-F307 HydrophobicContact CB-CZ 4.38Å; R268-F307 HydrophobicContact CG-CE1 4.46Å; R268-F307 VanDerWaalsContact NE-CZ 3.33Å; R268-F307 VanDerWaalsContact NH1-CD2 3.25Å; R268-L320 HydrophobicContact CG-CD2 4.29Å
269S97Very high94.7Very high12 Ų1240.2 Ų40.28%0.08420%0.202CC..EExtended strand (participates in β ladder)trans-82.6135.8167-52.20000110.7M240 N242 V261M240-S269 PolarHBondContact O-OG 3.2Å; N242-S269 PolarHBondContact N-OG 2.65Å; V261-S269 WeakPolarHBondContact O-CA 3.48Å
270I95.4Very high94.6Very high21 Ų2141.4 Ų41.411%0.10821%0.207CC..EExtended strand (participates in β ladder)trans-119.2151.6174.660.6175.9000109.5Y260 V261 A263 L266 R268 L290 T294Y260-I270 CarbonylContact C-O 3.13Å; Y260-I270 WeakPolarHBondContact CA-O 3.32Å; Y260-I270 WeakPolarHBondContact CD1-O 3.32Å; V261-I270 HydrophobicContact CB-CG1 4.07Å; V261-I270 PolarHBondContact N-O 2.89Å; V261-I270 WeakPolarHBondContact O-CG1 3.36Å; V261-I270 PolarHBondContact O-N 2.75Å; A263-I270 HydrophobicContact CB-CD1 4.18Å; A263-I270 HydrophobicContact CB-CG1 4.43Å; L266-I270 HydrophobicContact CD1-CG2 4.4Å; R268-I270 HydrophobicContact CG-CG2 4.21Å; I270-L290 HydrophobicContact CD1-CD2 3.86Å; I270-T294 HydrophobicContact CB-CG2 4.13Å; I270-T294 HydrophobicContact CG2-CG2 3.86Å
271Q95Very high94.2Very high27 Ų2740 Ų4013%0.12621%0.208CC..EExtended strand (participates in β ladder)trans-112.9138.6-177.7-166.7168.927.600110K258 Y260 S291K258-Q271 HydrophobicContact CB-CG 4.01Å; K258-Q271 PolarHBondContact O-NE2 3.19Å; K258-Q271 VanDerWaalsContact O-NE2 3.12Å; Y260-Q271 HydrophobicContact CD1-CB 3.9Å; Y260-Q271 HydrophobicContact CD1-CG 4.23Å; Y260-Q271 HydrophobicContact CE1-CB 3.67Å; Y260-Q271 HydrophobicContact CE1-CG 3.99Å; Y260-Q271 HydrophobicContact CE2-CG 4.29Å; Y260-Q271 HydrophobicContact CG-CG 4.49Å; Y260-Q271 VanDerWaalsContact CZ-CD 3.48Å; Y260-Q271 PolarHBondContact OH-OE1 3.2Å; Q271-S291 VanDerWaalsContact O-CB 3.24Å; Q271-S291 WeakPolarHBondContact O-CB 3.44Å; Q271-S291 PolarHBondContact O-N 3.48Å
272L95.4Very high94Very high2 Ų244.8 Ų44.81%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-96.9151.4173.3-55179000110.6Y249 K258 P259 V261 Y288 I289 L290 I363Y249-L272 HydrophobicContact CE1-CD1 4.4Å; Y249-L272 WeakPolarHBondContact OH-CD1 3.22Å; K258-L272 VanDerWaalsContact CA-O 3.29Å; K258-L272 WeakPolarHBondContact CA-O 3.35Å; K258-L272 WeakPolarHBondContact CB-O 3.48Å; P259-L272 HydrophobicContact CG-CB 4.09Å; P259-L272 HydrophobicContact CG-CD1 4.22Å; P259-L272 PolarHBondContact O-N 3.43Å; V261-L272 HydrophobicContact CG2-CD1 4.02Å; V261-L272 HydrophobicContact CG2-CG 4.37Å; L272-Y288 HydrophobicContact CB-CD1 3.88Å; L272-Y288 HydrophobicContact CB-CG 4.43Å; L272-I289 CarbonylContact C-O 3.56Å; L272-I289 VanDerWaalsContact CA-O 3.31Å; L272-I289 WeakPolarHBondContact CA-O 3.48Å; L272-L290 HydrophobicContact CD2-CD2 3.94Å; L272-I363 HydrophobicContact CD1-CD1 3.77Å; L272-I363 HydrophobicContact CD2-CD1 4.13Å
273M94.8Very high93.8Very high40 Ų4044.6 Ų44.620%0.19723%0.232CC..EExtended strand (participates in β ladder)trans-126.8142.2170.965.8179.8-93.900110.6H275 Y288 I289 E292M273-H275 PolarHBondContact O-N 3.07Å; M273-Y288 VanDerWaalsContact C-CD1 3.47Å; M273-Y288 WeakPolarHBondContact O-CA 3.5Å; M273-I289 HydrophobicContact CE-CD1 4.44Å; M273-I289 HydrophobicContact CG-CD1 4.31Å; M273-I289 HydrophobicContact CG-CG1 3.69Å; M273-I289 PolarHBondContact N-O 2.83Å; M273-I289 PolarHBondContact O-N 3.23Å; M273-I289 HydrophobicContact SD-CD1 4.5Å; M273-I289 HydrophobicContact SD-CG1 4.47Å; M273-E292 HydrophobicContact SD-CG 4.01Å
274K95Very high93.8Very high65 Ų6545.8 Ų45.828%0.28324%0.238SC..EExtended strand (participates in β ladder)trans-67.2124.6173-169.3-178.179.1-178.30109K255 E277 Y286 Y288K255-K274 WeakPolarHBondContact O-CE 3.47Å; K255-K274 PolarHBondContact O-NZ 3.49Å; K274-E277 HydrophobicContact CD-CG 4.28Å; K274-E277 IonicContact NZ-OE1 3.88Å; K274-E277 PolarHBondContact NZ-OE1 3.17Å; K274-Y286 HydrophobicContact CD-CD1 4.36Å; K274-Y286 HydrophobicContact CD-CD2 4.42Å; K274-Y286 HydrophobicContact CD-CG 4.17Å; K274-Y288 HydrophobicContact CB-CD1 4.45Å; K274-Y288 HydrophobicContact CB-CE1 4.05Å
275H93.6Very high93.9Very high96 Ų9644 Ų4444%0.44423%0.231SC..EExtended strand (participates in β ladder)trans-95.4-48175.4-178.780.1000111.3M273 K287 I289M273-H275 PolarHBondContact O-N 3.07Å; H275-K287 PolarHBondContact N-O 2.67Å; H275-I289 HydrophobicContact CB-CD1 4.03Å; H275-I289 HydrophobicContact CB-CG1 4.04Å; H275-I289 HydrophobicContact CB-CG2 3.95Å
276S94.4Very high94.2Very high38 Ų3841.9 Ų41.927%0.26622%0.218SC..EExtended strand (participates in β ladder)trans-155.7162.7-179.660.20000113K287S276-K287 PolarHBondContact N-O 3.31Å; S276-K287 PolarHBondContact O-N 2.8Å
277E94.9Very high94.3Very high98 Ų9843.2 Ų43.246%0.45822%0.223SC..EExtended strand (participates in β ladder)trans-101.8125.1169.2-57.6-174.3-171.600107.6K255 K274 Y286K255-E277 IonicContact NZ-OE2 3.43Å; K274-E277 HydrophobicContact CD-CG 4.28Å; K274-E277 IonicContact NZ-OE1 3.88Å; K274-E277 PolarHBondContact NZ-OE1 3.17Å; E277-Y286 HydrophobicContact CB-CD1 4.36Å; E277-Y286 HydrophobicContact CG-CD1 3.75Å; E277-Y286 HydrophobicContact CG-CE1 3.76Å
278T94.5Very high94.3Very high52 Ų5242.6 Ų42.632%0.31922%0.219SC..EExtended strand (participates in β ladder)trans-138.9179.7-176.262.30000110.4V285T278-V285 PolarHBondContact N-O 2.98Å; T278-V285 PolarHBondContact O-N 3.48Å; T278-V285 VanDerWaalsContact O-O 3.12Å; T278-V285 WeakPolarHBondContact OG1-CG2 3.49Å
279Q93.1Very high94.3Very high129 Ų12942.7 Ų42.760%0.60322%0.22SC*.EExtended strand (participates in β ladder)trans-127.7137.1174.4-66.1-176.5-2000110.3L283Q279-L283 CarbonylContact C-O 3.47Å; Q279-L283 VanDerWaalsContact CA-O 3.27Å; Q279-L283 WeakPolarHBondContact CA-O 3.41Å
280I91.2Very high94.2Very high39 Ų3942.8 Ų42.820%0.222%0.22CC..EExtended strand (participates in β ladder)trans-115.2112.2170.2-63.8175000106.8N282 L283 V285 Y364 I373 N374 I418I280-N282 VanDerWaalsContact C-N 3.31Å; I280-N282 PolarHBondContact O-N 3.39Å; I280-L283 PolarHBondContact N-O 3.31Å; I280-L283 VanDerWaalsContact O-CB 3.27Å; I280-L283 WeakPolarHBondContact O-CB 3.37Å; I280-L283 PolarHBondContact O-N 2.95Å; I280-V285 HydrophobicContact CD1-CG2 4.03Å; I280-V285 HydrophobicContact CG1-CG2 3.93Å; I280-Y364 HydrophobicContact CD1-CD1 3.89Å; I280-Y364 HydrophobicContact CD1-CD2 4.44Å; I280-Y364 HydrophobicContact CD1-CG 3.81Å; I280-I373 HydrophobicContact CB-CG2 4.32Å; I280-I373 HydrophobicContact CD1-CG2 4.07Å; I280-I373 HydrophobicContact CG2-CG2 4.17Å; I280-N374 HydrophobicContact CD1-CB 4.18Å; I280-I418 HydrophobicContact CG2-CD1 4.06Å
281S88.6Confident94.2Very high40 Ų4042.4 Ų42.428%0.2822%0.219SC..THydrogen-bonded Turntrans5447.2-178.9-51.50000113.4L283 Q415 N422S281-L283 PolarHBondContact O-N 2.98Å; S281-L283 VanDerWaalsContact O-N 3.14Å; S281-Q415 PolarHBondContact OG-NE2 3.25Å; S281-Q415 PolarHBondContact OG-OE1 3.49Å; S281-N422 PolarHBondContact O-ND2 3.38Å
282N90.8Very high94Very high116 Ų11647.6 Ų47.662%0.6224%0.243SC*.THydrogen-bonded Turntrans62.98.3-175.8-52.5-37.7000115I280 N422I280-N282 VanDerWaalsContact C-N 3.31Å; I280-N282 PolarHBondContact O-N 3.39Å; N282-N422 WeakPolarHBondContact CB-ND2 3.48Å
283L93.1Very high93.9Very high0 Ų048.4 Ų48.40%025%0.248CC..EExtended strand (participates in β ladder)trans-90.8118.7170-172.567.7000109.2Q279 I280 S281 E366 I373 I418 L421 N422 L425 I426Q279-L283 CarbonylContact C-O 3.47Å; Q279-L283 VanDerWaalsContact CA-O 3.27Å; Q279-L283 WeakPolarHBondContact CA-O 3.41Å; I280-L283 PolarHBondContact N-O 3.31Å; I280-L283 VanDerWaalsContact O-CB 3.27Å; I280-L283 WeakPolarHBondContact O-CB 3.37Å; I280-L283 PolarHBondContact O-N 2.95Å; S281-L283 PolarHBondContact O-N 2.98Å; S281-L283 VanDerWaalsContact O-N 3.14Å; L283-E366 HydrophobicContact CD1-CG 3.92Å; L283-E366 HydrophobicContact CD2-CB 4.35Å; L283-E366 HydrophobicContact CD2-CG 3.97Å; L283-E366 HydrophobicContact CG-CG 3.92Å; L283-I373 HydrophobicContact CD2-CD1 3.64Å; L283-I373 HydrophobicContact CD2-CG1 3.98Å; L283-I418 HydrophobicContact CB-CG2 4.15Å; L283-I418 HydrophobicContact CD2-CG2 4.12Å; L283-L421 HydrophobicContact CD2-CB 4.26Å; L283-L421 HydrophobicContact CD2-CD1 4.44Å; L283-N422 HydrophobicContact CD1-CB 4.31Å; L283-L425 HydrophobicContact CD1-CD1 4.23Å; L283-I426 HydrophobicContact CD1-CD1 4.27Å
284P94.5Very high93.9Very high47 Ų4746.7 Ų46.731%0.30524%0.24SC..EExtended strand (participates in β ladder)trans-62.2132.4174.1-19.832.8000111.3P367 I426P284-P367 WeakPolarHBondContact O-CD 3.25Å; P284-I426 HydrophobicContact CG-CD1 3.9Å
285V95.6Very high93.9Very high1 Ų144.4 Ų44.41%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-139.9148.3179.3-65.50000110.8T278 I280 Y364 I365 E366 I373T278-V285 PolarHBondContact N-O 2.98Å; T278-V285 PolarHBondContact O-N 3.48Å; T278-V285 VanDerWaalsContact O-O 3.12Å; T278-V285 WeakPolarHBondContact OG1-CG2 3.49Å; I280-V285 HydrophobicContact CD1-CG2 4.03Å; I280-V285 HydrophobicContact CG1-CG2 3.93Å; V285-Y364 HydrophobicContact CG2-CD1 3.9Å; V285-I365 CarbonylContact C-O 3.51Å; V285-I365 VanDerWaalsContact CA-O 3.28Å; V285-I365 WeakPolarHBondContact CA-O 3.48Å; V285-E366 HydrophobicContact CG1-CB 4.48Å; V285-I373 HydrophobicContact CG1-CB 4.18Å; V285-I373 HydrophobicContact CG1-CG1 3.7Å
286Y95.9Very high94Very high22 Ų2243.6 Ų43.69%0.08623%0.225CC..EExtended strand (participates in β ladder)trans-91.6124.6167.6-64.6-15.9000109.2K255 K274 E277 Y288 Y364 I365 P367K255-Y286 HydrophobicContact CG-CE2 4.44Å; K255-Y286 VanDerWaalsContact CG-OH 3.3Å; K255-Y286 WeakPolarHBondContact CG-OH 3.42Å; K274-Y286 HydrophobicContact CD-CD1 4.36Å; K274-Y286 HydrophobicContact CD-CD2 4.42Å; K274-Y286 HydrophobicContact CD-CG 4.17Å; E277-Y286 HydrophobicContact CB-CD1 4.36Å; E277-Y286 HydrophobicContact CG-CD1 3.75Å; E277-Y286 HydrophobicContact CG-CE1 3.76Å; Y286-Y288 HydrophobicContact CD2-CE2 4.22Å; Y286-Y288 HydrophobicContact CG-CE2 4.38Å; Y286-Y364 WeakPolarHBondContact O-CA 3.44Å; Y286-I365 PolarHBondContact N-O 2.97Å; Y286-I365 PolarHBondContact O-N 2.88Å; Y286-P367 HydrophobicContact CD2-CB 3.91Å; Y286-P367 HydrophobicContact CE1-CB 4.31Å; Y286-P367 HydrophobicContact CE1-CG 4.25Å; Y286-P367 HydrophobicContact CE2-CB 3.47Å; Y286-P367 VanDerWaalsContact CE2-CB 3.47Å; Y286-P367 HydrophobicContact CE2-CG 4.29Å; Y286-P367 HydrophobicContact CG-CB 4.48Å
287K95.7Very high94Very high38 Ų3842.1 Ų42.117%0.16521%0.214CC..EExtended strand (participates in β ladder)trans-84.2112.7169.4-176.1-176.8176.8-171.90108.1H275 S276 S362 Y364H275-K287 PolarHBondContact N-O 2.67Å; S276-K287 PolarHBondContact N-O 3.31Å; S276-K287 PolarHBondContact O-N 2.8Å; K287-S362 WeakPolarHBondContact CE-OG 3.36Å; K287-Y364 HydrophobicContact CB-CD1 4Å; K287-Y364 HydrophobicContact CB-CE1 3.79Å; K287-Y364 HydrophobicContact CD-CE1 3.94Å; K287-Y364 HydrophobicContact CG-CD1 4.26Å; K287-Y364 HydrophobicContact CG-CE1 3.76Å
288Y96Very high93.8Very high0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-98144170.6-76.4-88.9000110.7M253 E257 P259 L272 M273 K274 Y286 S362 I363 I365M253-Y288 HydrophobicContact CE-CE2 4.17Å; E257-Y288 WeakPolarHBondContact O-CE1 3.2Å; E257-Y288 PolarHBondContact O-OH 2.84Å; P259-Y288 HydrophobicContact CG-CD1 4.33Å; P259-Y288 HydrophobicContact CG-CE1 4.06Å; L272-Y288 HydrophobicContact CB-CD1 3.88Å; L272-Y288 HydrophobicContact CB-CG 4.43Å; M273-Y288 VanDerWaalsContact C-CD1 3.47Å; M273-Y288 WeakPolarHBondContact O-CA 3.5Å; K274-Y288 HydrophobicContact CB-CD1 4.45Å; K274-Y288 HydrophobicContact CB-CE1 4.05Å; Y286-Y288 HydrophobicContact CD2-CE2 4.22Å; Y286-Y288 HydrophobicContact CG-CE2 4.38Å; Y288-S362 WeakPolarHBondContact O-CA 3.47Å; Y288-I363 PolarHBondContact N-O 2.86Å; Y288-I363 PolarHBondContact O-N 2.92Å; Y288-I365 HydrophobicContact CD2-CB 4.45Å; Y288-I365 HydrophobicContact CD2-CD1 3.71Å; Y288-I365 HydrophobicContact CD2-CG1 4.14Å; Y288-I365 HydrophobicContact CE2-CD1 4.04Å; Y288-I365 HydrophobicContact CG-CD1 4.43Å
289I95.7Very high93.6Very high13 Ų1340.5 Ų40.57%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-127.7170.7171.164174.2000109.1L272 M273 H275 S291 T361L272-I289 CarbonylContact C-O 3.56Å; L272-I289 VanDerWaalsContact CA-O 3.31Å; L272-I289 WeakPolarHBondContact CA-O 3.48Å; M273-I289 HydrophobicContact CE-CD1 4.44Å; M273-I289 HydrophobicContact CG-CD1 4.31Å; M273-I289 HydrophobicContact CG-CG1 3.69Å; M273-I289 PolarHBondContact N-O 2.83Å; M273-I289 PolarHBondContact O-N 3.23Å; M273-I289 HydrophobicContact SD-CD1 4.5Å; M273-I289 HydrophobicContact SD-CG1 4.47Å; H275-I289 HydrophobicContact CB-CD1 4.03Å; H275-I289 HydrophobicContact CB-CG1 4.04Å; H275-I289 HydrophobicContact CB-CG2 3.95Å; I289-S291 PolarHBondContact O-N 3.03Å; I289-T361 WeakPolarHBondContact CA-O 3.24Å; I289-T361 WeakPolarHBondContact CG2-O 3.38Å
290L95.4Very high93.3Very high14 Ų1438.9 Ų38.97%0.07320%0.204CC..EExtended strand (participates in β ladder)trans-61.7137.3169.6-62.3178000110I270 L272 F295 Q335 T361I270-L290 HydrophobicContact CD1-CD2 3.86Å; L272-L290 HydrophobicContact CD2-CD2 3.94Å; L290-F295 HydrophobicContact CD1-CE2 3.79Å; L290-Q335 HydrophobicContact CD1-CG 4.49Å; L290-T361 HydrophobicContact CD2-CG2 4.4Å; L290-T361 HydrophobicContact CG-CG2 4.24Å
291S95Very high93.3Very high13 Ų1340.1 Ų40.19%0.09121%0.208CC..  trans-61.7139.8176.1-171.10000110.6Q271 I289 D293 T294Q271-S291 VanDerWaalsContact O-CB 3.24Å; Q271-S291 WeakPolarHBondContact O-CB 3.44Å; Q271-S291 PolarHBondContact O-N 3.48Å; I289-S291 PolarHBondContact O-N 3.03Å; S291-D293 WeakPolarHBondContact CB-OD1 3.43Å; S291-D293 PolarHBondContact O-N 2.8Å; S291-D293 PolarHBondContact OG-OD1 2.82Å; S291-T294 PolarHBondContact N-OG1 3.08Å; S291-T294 WeakPolarHBondContact O-CB 3.33Å; S291-T294 PolarHBondContact O-N 2.93Å; S291-T294 PolarHBondContact O-OG1 2.96Å
292E91.1Very high93.5Very high136 Ų13644.6 Ų44.664%0.63622%0.224SC*.THydrogen-bonded Turntrans-57.3-25.4-176.1-68176.3-169.300113.6M273 K296M273-E292 HydrophobicContact SD-CG 4.01Å; E292-K296 WeakPolarHBondContact O-CE 3.5Å; E292-K296 WeakPolarHBondContact O-CG 3.16Å
293D93.2Very high93.5Very high19 Ų1942.2 Ų42.210%0.10221%0.209CC..THydrogen-bonded Turntrans-82.5-7.6176.267.8-36000114.3S291 F295 K296 F301 K303 N304S291-D293 WeakPolarHBondContact CB-OD1 3.43Å; S291-D293 PolarHBondContact O-N 2.8Å; S291-D293 PolarHBondContact OG-OD1 2.82Å; D293-F295 VanDerWaalsContact C-N 3.29Å; D293-F295 PolarHBondContact O-N 3.04Å; D293-K296 PolarHBondContact O-N 3.06Å; D293-F301 HydrophobicContact CB-CD1 3.91Å; D293-F301 HydrophobicContact CB-CE1 3.33Å; D293-F301 HydrophobicContact CB-CE2 4.09Å; D293-F301 HydrophobicContact CB-CG 4.5Å; D293-F301 HydrophobicContact CB-CZ 3.43Å; D293-F301 VanDerWaalsContact CB-CZ 3.43Å; D293-F301 WeakPolarHBondContact OD2-CE1 3.47Å; D293-K303 WeakPolarHBondContact OD2-CD 3.22Å; D293-K303 IonicContact OD2-NZ 3.16Å; D293-K303 PolarHBondContact OD2-NZ 3.43Å; D293-N304 PolarHBondContact O-ND2 2.9Å
294T94.1Very high93.6Very high5 Ų542.4 Ų42.43%0.03121%0.21CC..THydrogen-bonded Turntrans-55.7-42.9-171-59.50000112.9R268 I270 S291R268-T294 PolarHBondContact NH1-O 2.76Å; R268-T294 PolarHBondContact NH2-O 3.18Å; I270-T294 HydrophobicContact CB-CG2 4.13Å; I270-T294 HydrophobicContact CG2-CG2 3.86Å; S291-T294 PolarHBondContact N-OG1 3.08Å; S291-T294 WeakPolarHBondContact O-CB 3.33Å; S291-T294 PolarHBondContact O-N 2.93Å; S291-T294 PolarHBondContact O-OG1 2.96Å
295F94.9Very high93.7Very high16 Ų1643.7 Ų43.77%0.0721%0.211CC..THydrogen-bonded Turntrans-114.913.2-177.6-61.9-64.1000113.7L290 D293 G318 L320 Q335 L379L290-F295 HydrophobicContact CD1-CE2 3.79Å; D293-F295 VanDerWaalsContact C-N 3.29Å; D293-F295 PolarHBondContact O-N 3.04Å; F295-G318 WeakPolarHBondContact O-CA 3.37Å; F295-G318 PolarHBondContact O-N 3.32Å; F295-L320 HydrophobicContact CD1-CB 4.09Å; F295-L320 HydrophobicContact CE1-CB 4.12Å; F295-Q335 HydrophobicContact CD2-CG 4.12Å; F295-Q335 HydrophobicContact CE2-CG 3.95Å; F295-L379 HydrophobicContact CE2-CD2 4.37Å; F295-L379 HydrophobicContact CZ-CD2 3.94Å
296K95.3Very high93.7Very high79 Ų7943.7 Ų43.734%0.34321%0.211SC..  trans-64148.8174-74.2-171.1178.7-177.10111.2E292 D293 F301 N304E292-K296 WeakPolarHBondContact O-CE 3.5Å; E292-K296 WeakPolarHBondContact O-CG 3.16Å; D293-K296 PolarHBondContact O-N 3.06Å; K296-F301 HydrophobicContact CB-CB 3.89Å; K296-F301 HydrophobicContact CB-CG 4.31Å; K296-F301 HydrophobicContact CD-CD2 4.36Å; K296-N304 WeakPolarHBondContact O-CB 3.35Å; K296-N304 PolarHBondContact O-ND2 2.91Å
297S95Very high93.7Very high7 Ų743.9 Ų43.95%0.04921%0.212CC..  trans-61.5145.9179.7-176.40000111.3E299 T300 F301 F315 D317S297-E299 PolarHBondContact O-N 3.08Å; S297-E299 PolarHBondContact OG-N 3.45Å; S297-T300 PolarHBondContact O-N 3.4Å; S297-T300 PolarHBondContact O-OG1 3.22Å; S297-F301 WeakPolarHBondContact O-CB 3.37Å; S297-F301 PolarHBondContact O-N 2.96Å; S297-F315 WeakPolarHBondContact CB-O 3.42Å; S297-F315 PolarHBondContact OG-O 2.72Å; S297-D317 WeakPolarHBondContact CB-OD1 3.38Å; S297-D317 PolarHBondContact N-OD1 3.36Å
298G91.2Very high93.6Very high6 Ų642.3 Ų42.36%0.06221%0.206CC..THydrogen-bonded Turntrans-66.1-19170.300000113.1K305G298-K305 WeakPolarHBondContact O-CG 3.41Å
299E89.4Confident93.4Very high111 Ų11145 Ų4552%0.51922%0.22SC..THydrogen-bonded Turntrans-69.1-38175.2-64.3-175.4162.500112S297 C314S297-E299 PolarHBondContact O-N 3.08Å; S297-E299 PolarHBondContact OG-N 3.45Å; E299-C314 HydrophobicContact CG-CB 3.77Å; E299-C314 VanDerWaalsContact OE1-CB 3.3Å; E299-C314 WeakPolarHBondContact OE1-CB 3.33Å
300T87Confident93.2Very high95 Ų9548.4 Ų48.458%0.58324%0.238SC*.THydrogen-bonded Turntrans-100.4-24.2-174.358.10000112.9S297 D317S297-T300 PolarHBondContact O-N 3.4Å; S297-T300 PolarHBondContact O-OG1 3.22Å; T300-D317 PolarHBondContact OG1-OD1 3.01Å
301F92.4Very high93Very high65 Ų6554 Ų5429%0.28526%0.259SS..  trans-124.7114.4-172.9-160-106.2000113.3D293 K296 S297 K303 N304 K305D293-F301 HydrophobicContact CB-CD1 3.91Å; D293-F301 HydrophobicContact CB-CE1 3.33Å; D293-F301 HydrophobicContact CB-CE2 4.09Å; D293-F301 HydrophobicContact CB-CG 4.5Å; D293-F301 HydrophobicContact CB-CZ 3.43Å; D293-F301 VanDerWaalsContact CB-CZ 3.43Å; D293-F301 WeakPolarHBondContact OD2-CE1 3.47Å; K296-F301 HydrophobicContact CB-CB 3.89Å; K296-F301 HydrophobicContact CB-CG 4.31Å; K296-F301 HydrophobicContact CD-CD2 4.36Å; S297-F301 WeakPolarHBondContact O-CB 3.37Å; S297-F301 PolarHBondContact O-N 2.96Å; F301-K303 VanDerWaalsContact C-N 3.33Å; F301-K303 HydrophobicContact CD1-CB 3.74Å; F301-K303 HydrophobicContact CE1-CB 3.44Å; F301-K303 VanDerWaalsContact CE1-CB 3.44Å; F301-K303 HydrophobicContact CE1-CD 4.02Å; F301-K303 HydrophobicContact CE1-CG 4.39Å; F301-K303 HydrophobicContact CZ-CB 4.48Å; F301-K303 PolarHBondContact O-N 3.44Å; F301-N304 HydrophobicContact CD1-CB 4.4Å; F301-N304 PolarHBondContact O-N 3.23Å; F301-K305 PolarHBondContact O-N 2.93Å
302E91.5Very high92.7Very high133 Ų13358.6 Ų58.662%0.62129%0.29SS*.G310 helixtrans-52.9-44.2-172.8-170.164-148.900113.8N304 K305E302-N304 PolarHBondContact O-N 2.99Å; E302-N304 VanDerWaalsContact O-N 3.16Å; E302-K305 VanDerWaalsContact CD-CE 3.5Å; E302-K305 WeakPolarHBondContact O-CG 3.5Å; E302-K305 PolarHBondContact O-N 3.49Å; E302-K305 WeakPolarHBondContact OE1-CD 2.98Å; E302-K305 WeakPolarHBondContact OE1-CE 3.08Å; E302-K305 IonicContact OE1-NZ 3.25Å; E302-K305 PolarHBondContact OE1-NZ 3.37Å; E302-K305 WeakPolarHBondContact OE2-CE 3.29Å; E302-K305 IonicContact OE2-NZ 2.68Å; E302-K305 PolarHBondContact OE2-NZ 2.96Å
303K91.2Very high92.6Very high67 Ų6755.8 Ų55.829%0.29128%0.28SS..G310 helixtrans-62.5-25.5-179.1-169.7-175.8174.5-174.90112.3D293 F301D293-K303 WeakPolarHBondContact OD2-CD 3.22Å; D293-K303 IonicContact OD2-NZ 3.16Å; D293-K303 PolarHBondContact OD2-NZ 3.43Å; F301-K303 VanDerWaalsContact C-N 3.33Å; F301-K303 HydrophobicContact CD1-CB 3.74Å; F301-K303 HydrophobicContact CE1-CB 3.44Å; F301-K303 VanDerWaalsContact CE1-CB 3.44Å; F301-K303 HydrophobicContact CE1-CD 4.02Å; F301-K303 HydrophobicContact CE1-CG 4.39Å; F301-K303 HydrophobicContact CZ-CB 4.48Å; F301-K303 PolarHBondContact O-N 3.44Å
304N95.8Very high92.6Very high4 Ų455.8 Ų55.82%0.02128%0.281CS..G310 helixtrans-99.30.7-174.7-71.1-8.1000114.3D293 K296 F301 E302 G306 F307D293-N304 PolarHBondContact O-ND2 2.9Å; K296-N304 WeakPolarHBondContact O-CB 3.35Å; K296-N304 PolarHBondContact O-ND2 2.91Å; F301-N304 HydrophobicContact CD1-CB 4.4Å; F301-N304 PolarHBondContact O-N 3.23Å; E302-N304 PolarHBondContact O-N 2.99Å; E302-N304 VanDerWaalsContact O-N 3.16Å; N304-G306 PolarHBondContact O-N 3.13Å; N304-F307 HydrophobicContact CB-CD2 4.06Å; N304-F307 PolarHBondContact O-N 3.15Å
305K95.4Very high92.7Very high74 Ų7457.3 Ų57.332%0.32229%0.287SS..G310 helixtrans-50.1-36.3174.7-70-167.6169.3163.10112.9G298 F301 E302 F307 C308 W311G298-K305 WeakPolarHBondContact O-CG 3.41Å; F301-K305 PolarHBondContact O-N 2.93Å; E302-K305 VanDerWaalsContact CD-CE 3.5Å; E302-K305 WeakPolarHBondContact O-CG 3.5Å; E302-K305 PolarHBondContact O-N 3.49Å; E302-K305 WeakPolarHBondContact OE1-CD 2.98Å; E302-K305 WeakPolarHBondContact OE1-CE 3.08Å; E302-K305 IonicContact OE1-NZ 3.25Å; E302-K305 PolarHBondContact OE1-NZ 3.37Å; E302-K305 WeakPolarHBondContact OE2-CE 3.29Å; E302-K305 IonicContact OE2-NZ 2.68Å; E302-K305 PolarHBondContact OE2-NZ 2.96Å; K305-F307 PolarHBondContact O-N 3.5Å; K305-C308 PolarHBondContact O-N 3.01Å; K305-W311 HydrophobicContact CB-CH2 3.9Å; K305-W311 HydrophobicContact CB-CZ2 4.05Å; K305-W311 HydrophobicContact CD-CH2 4.17Å; K305-W311 HydrophobicContact CG-CH2 3.82Å; K305-W311 HydrophobicContact CG-CZ2 4.4Å
306G95.6Very high92.7Very high1 Ų161 Ų611%0.0130%0.303CS..G310 helixtrans-67.5-18.4-18000000115.9W233 T234 T235 N304W233-G306 WeakPolarHBondContact CB-O 3.31Å; T234-G306 PolarHBondContact N-O 3.22Å; T234-G306 VanDerWaalsContact OG1-CA 3.31Å; T234-G306 WeakPolarHBondContact OG1-CA 3.06Å; T234-G306 PolarHBondContact OG1-O 3.23Å; T234-G306 VanDerWaalsContact OG1-O 3.07Å; T235-G306 WeakPolarHBondContact OG1-CA 3.26Å; N304-G306 PolarHBondContact O-N 3.13Å
307F96Very high92.8Very high25 Ų2559.5 Ų59.511%0.1130%0.299CS..G310 helixtrans-91.7-6.4178-56.6-68.3000112.5W233 A238 R268 N304 K305 L309 L320W233-F307 AromaticContact CD1-CE1 3.82Å; W233-F307 AromaticContact CD2-CD1 3.48Å; W233-F307 HydrophobicContact CD2-CD1 3.48Å; W233-F307 VanDerWaalsContact CD2-CD1 3.48Å; W233-F307 AromaticContact CD2-CE1 3.79Å; W233-F307 HydrophobicContact CD2-CE1 3.79Å; W233-F307 AromaticContact CE2-CD1 3.72Å; W233-F307 AromaticContact CE2-CE1 3.76Å; W233-F307 AromaticContact CE3-CD1 3.69Å; W233-F307 HydrophobicContact CE3-CD1 3.69Å; W233-F307 HydrophobicContact CE3-CE1 4.45Å; W233-F307 AromaticContact CG-CD1 3.88Å; W233-F307 HydrophobicContact CG-CD1 3.88Å; W233-F307 AromaticContact CG-CE1 3.82Å; W233-F307 HydrophobicContact CG-CE1 3.82Å; W233-F307 HydrophobicContact CH2-CD1 4.29Å; W233-F307 HydrophobicContact CZ2-CD1 4.12Å; W233-F307 HydrophobicContact CZ2-CE1 4.38Å; W233-F307 HydrophobicContact CZ3-CD1 4.09Å; W233-F307 AromaticContact NE1-CE1 3.77Å; A238-F307 HydrophobicContact CB-CD1 4.14Å; A238-F307 HydrophobicContact CB-CD2 4.46Å; A238-F307 HydrophobicContact CB-CE1 3.65Å; A238-F307 HydrophobicContact CB-CE2 3.97Å; A238-F307 HydrophobicContact CB-CZ 3.54Å; R268-F307 HydrophobicContact CB-CE1 3.86Å; R268-F307 HydrophobicContact CB-CZ 4.38Å; R268-F307 HydrophobicContact CG-CE1 4.46Å; R268-F307 VanDerWaalsContact NE-CZ 3.33Å; R268-F307 VanDerWaalsContact NH1-CD2 3.25Å; N304-F307 HydrophobicContact CB-CD2 4.06Å; N304-F307 PolarHBondContact O-N 3.15Å; K305-F307 PolarHBondContact O-N 3.5Å; F307-L309 PolarHBondContact O-N 3.14Å; F307-L320 HydrophobicContact CB-CD1 4.02Å; F307-L320 HydrophobicContact CD1-CD1 4.18Å; F307-L320 HydrophobicContact CG-CD1 4.25Å
308C95.3Very high92.8Very high5 Ų559.4 Ų59.43%0.03430%0.299CS..  trans-82.7111.2170.4-165.40000109.9K305 W311 C314K305-C308 PolarHBondContact O-N 3.01Å; C308-W311 HydrophobicContact CB-CH2 4.41Å; C308-W311 HydrophobicContact CB-CZ2 4.36Å; C308-C314 HydrophobicContact CB-CB 4.47Å; C308-C314 WeakPolarHBondContact CB-SG 3.35Å; C308-C314 WeakPolarHBondContact SG-CB 3.35Å; C308-C314 CovalentContact SG-SG 2.03Å; C308-C314 PolarHBondContact SG-SG 3.34Å
309L92Very high93.1Very high56 Ų5659.7 Ų59.729%0.29330%0.3SS..SBendtrans-84.2-33-178-57.7176.5000112.6W233 T234 F307 D321 S323W233-L309 HydrophobicContact CE3-CD2 4.12Å; W233-L309 HydrophobicContact CZ3-CD2 4.35Å; T234-L309 HydrophobicContact CG2-CD2 4.31Å; F307-L309 PolarHBondContact O-N 3.14Å; L309-D321 HydrophobicContact CD1-CB 4.43Å; L309-S323 VanDerWaalsContact CD1-OG 3.23Å; L309-S323 WeakPolarHBondContact CD1-OG 3.35Å
310N90.2Very high93.4Very high85 Ų8554.6 Ų54.646%0.45528%0.276SS..  trans-132.6107.7176.4178.310.2000110.6S312 N313 C314N310-S312 VanDerWaalsContact C-N 3.25Å; N310-S312 VanDerWaalsContact CG-OG 3.31Å; N310-S312 PolarHBondContact ND2-OG 2.98Å; N310-S312 PolarHBondContact O-N 2.93Å; N310-S312 PolarHBondContact OD1-N 3.12Å; N310-S312 PolarHBondContact OD1-OG 3.12Å; N310-N313 CarbonylContact O-C 3.54Å; N310-N313 PolarHBondContact O-N 2.7Å; N310-C314 PolarHBondContact O-N 2.55Å
311W91.4Very high93.8Very high133 Ų13351.4 Ų51.450%0.50426%0.255SS..G310 helixtrans-62.5-26.8-179.4-73.5102000114.7K305 C308 N313K305-W311 HydrophobicContact CB-CH2 3.9Å; K305-W311 HydrophobicContact CB-CZ2 4.05Å; K305-W311 HydrophobicContact CD-CH2 4.17Å; K305-W311 HydrophobicContact CG-CH2 3.82Å; K305-W311 HydrophobicContact CG-CZ2 4.4Å; C308-W311 HydrophobicContact CB-CH2 4.41Å; C308-W311 HydrophobicContact CB-CZ2 4.36Å; W311-N313 PolarHBondContact O-N 2.87Å
312S89.8Confident94Very high108 Ų10848.4 Ų48.476%0.75524%0.242SC*.G310 helixtrans-74.8-14.5176.661.30000113.1N310N310-S312 VanDerWaalsContact C-N 3.25Å; N310-S312 VanDerWaalsContact CG-OG 3.31Å; N310-S312 PolarHBondContact ND2-OG 2.98Å; N310-S312 PolarHBondContact O-N 2.93Å; N310-S312 PolarHBondContact OD1-N 3.12Å; N310-S312 PolarHBondContact OD1-OG 3.12Å
313N87.7Confident94Very high77 Ų7744.1 Ų44.141%0.41223%0.227SC..G310 helixtrans-147.950.8-177-163.31.2000109.8N310 W311 K386N310-N313 CarbonylContact O-C 3.54Å; N310-N313 PolarHBondContact O-N 2.7Å; W311-N313 PolarHBondContact O-N 2.87Å; N313-K386 PolarHBondContact ND2-NZ 3.5Å
314C93.2Very high94Very high19 Ų1943 Ų4313%0.12823%0.227CC..  trans-70.7142.5176.8-149.30000109.3E299 C308 N310E299-C314 HydrophobicContact CG-CB 3.77Å; E299-C314 VanDerWaalsContact OE1-CB 3.3Å; E299-C314 WeakPolarHBondContact OE1-CB 3.33Å; C308-C314 HydrophobicContact CB-CB 4.47Å; C308-C314 WeakPolarHBondContact CB-SG 3.35Å; C308-C314 WeakPolarHBondContact SG-CB 3.35Å; C308-C314 CovalentContact SG-SG 2.03Å; C308-C314 PolarHBondContact SG-SG 3.34Å; N310-C314 PolarHBondContact O-N 2.55Å
315F95.4Very high93.8Very high37 Ų3743.8 Ų43.816%0.16223%0.233CC..  trans-72.4149.7172.3-69.2-75.6000111.1S297 V319 D321 V332 I384 L401S297-F315 WeakPolarHBondContact CB-O 3.42Å; S297-F315 PolarHBondContact OG-O 2.72Å; F315-V319 HydrophobicContact CB-CG2 3.43Å; F315-V319 VanDerWaalsContact CB-CG2 3.43Å; F315-V319 HydrophobicContact CD1-CG2 4.25Å; F315-V319 HydrophobicContact CG-CG2 3.9Å; F315-D321 HydrophobicContact CD2-CB 3.91Å; F315-D321 HydrophobicContact CE2-CB 3.86Å; F315-V332 HydrophobicContact CD2-CG1 4.33Å; F315-V332 HydrophobicContact CE1-CG1 4.49Å; F315-V332 HydrophobicContact CE2-CG1 3.83Å; F315-V332 HydrophobicContact CZ-CG1 3.92Å; F315-I384 HydrophobicContact CE2-CD1 4.43Å; F315-I384 HydrophobicContact CZ-CD1 4.01Å; F315-I384 HydrophobicContact CZ-CG1 4.13Å; F315-L401 HydrophobicContact CD1-CD1 4.27Å; F315-L401 HydrophobicContact CD1-CD2 4.45Å; F315-L401 HydrophobicContact CE1-CD1 4.37Å; F315-L401 HydrophobicContact CE1-CD2 3.74Å; F315-L401 HydrophobicContact CE1-CG 4.43Å; F315-L401 HydrophobicContact CZ-CD2 4.31Å
316K96Very high93.6Very high95 Ų9543.8 Ų43.841%0.41323%0.234SC..  trans-75.2179.2174-56.2-177.4-177175.10110.5D342 S344 Y345K316-D342 HydrophobicContact CB-CB 3.75Å; K316-D342 HydrophobicContact CD-CB 4.09Å; K316-D342 VanDerWaalsContact CD-CG 3.47Å; K316-D342 IonicContact NZ-OD1 3.59Å; K316-S344 PolarHBondContact NZ-OG 2.97Å; K316-S344 VanDerWaalsContact NZ-OG 3.11Å; K316-Y345 HydrophobicContact CB-CE2 3.96Å; K316-Y345 WeakPolarHBondContact CB-OH 3.36Å; K316-Y345 PolarHBondContact N-OH 3.2Å
317D96.6Very high93.2Very high47 Ų4747.4 Ų47.425%0.25126%0.257SS..THydrogen-bonded Turntrans-54.9142.9-177.4-68.8-3.6000113.3S297 T300 A341 D342S297-D317 WeakPolarHBondContact CB-OD1 3.38Å; S297-D317 PolarHBondContact N-OD1 3.36Å; T300-D317 PolarHBondContact OG1-OD1 3.01Å; D317-A341 CarbonylContact O-C 3.53Å; D317-A341 WeakPolarHBondContact O-CA 3.43Å; D317-A341 WeakPolarHBondContact O-CB 3.33Å; D317-D342 PolarHBondContact O-N 3.06Å
318G95.9Very high92.8Very high4 Ų450.1 Ų50.14%0.04127%0.273CS..THydrogen-bonded Turntrans96.84.8169.200000116.6F295 S334F295-G318 WeakPolarHBondContact O-CA 3.37Å; F295-G318 PolarHBondContact O-N 3.32Å; G318-S334 WeakPolarHBondContact O-CB 3.37Å
319V96.9Very high92.6Very high13 Ų1351.1 Ų51.18%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-134.6155.4179.7-52.80000112.6F315 V332 V333 F338 Y345 L401F315-V319 HydrophobicContact CB-CG2 3.43Å; F315-V319 VanDerWaalsContact CB-CG2 3.43Å; F315-V319 HydrophobicContact CD1-CG2 4.25Å; F315-V319 HydrophobicContact CG-CG2 3.9Å; V319-V332 HydrophobicContact CB-CB 4.45Å; V319-V332 HydrophobicContact CB-CG2 4.32Å; V319-V333 CarbonylContact C-O 3.45Å; V319-V333 VanDerWaalsContact CA-O 3.24Å; V319-V333 WeakPolarHBondContact CA-O 3.33Å; V319-F338 HydrophobicContact CG1-CD1 4.36Å; V319-F338 HydrophobicContact CG1-CE1 4.26Å; V319-Y345 HydrophobicContact CG1-CD2 4.09Å; V319-Y345 HydrophobicContact CG1-CE2 3.97Å; V319-Y345 HydrophobicContact CG2-CE2 4.12Å; V319-L401 HydrophobicContact CB-CD1 4.48Å; V319-L401 HydrophobicContact CG1-CD1 3.91Å; V319-L401 HydrophobicContact CG2-CD1 4.25Å
320L96.4Very high92.6Very high4 Ų449 Ų492%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-125.1121175.5177.164.9000109.7W233 R268 F295 F307 M322 V332 V333W233-L320 HydrophobicContact CH2-CD1 3.93Å; W233-L320 HydrophobicContact CH2-CG 4.37Å; W233-L320 HydrophobicContact CZ3-CD1 4.31Å; R268-L320 HydrophobicContact CG-CD2 4.29Å; F295-L320 HydrophobicContact CD1-CB 4.09Å; F295-L320 HydrophobicContact CE1-CB 4.12Å; F307-L320 HydrophobicContact CB-CD1 4.02Å; F307-L320 HydrophobicContact CD1-CD1 4.18Å; F307-L320 HydrophobicContact CG-CD1 4.25Å; L320-M322 HydrophobicContact CD2-SD 3.83Å; L320-M322 HydrophobicContact CG-SD 4.06Å; L320-M322 PolarHBondContact O-N 3.03Å; L320-V332 CarbonylContact O-C 3.55Å; L320-V332 WeakPolarHBondContact O-CA 3.22Å; L320-V332 WeakPolarHBondContact O-CB 3.24Å; L320-V333 PolarHBondContact N-O 3.08Å; L320-V333 PolarHBondContact O-N 3.17Å
321D95.5Very high92.9Very high27 Ų2745.9 Ų45.914%0.14426%0.255CS..EExtended strand (participates in β ladder)trans-73.3119.2174.3-171.7-8.4000111L309 F315 S323 V332L309-D321 HydrophobicContact CD1-CB 4.43Å; F315-D321 HydrophobicContact CD2-CB 3.91Å; F315-D321 HydrophobicContact CE2-CB 3.86Å; D321-S323 WeakPolarHBondContact OD1-CB 3.41Å; D321-S323 PolarHBondContact OD1-N 2.94Å; D321-S323 PolarHBondContact OD1-OG 3.44Å; D321-S323 PolarHBondContact OD2-OG 2.93Å; D321-S323 VanDerWaalsContact OD2-OG 3.09Å; D321-V332 HydrophobicContact CB-CG1 4.31Å
322M95.3Very high93.1Very high3 Ų339.6 Ų39.62%0.01523%0.231CC..  trans-92.20-178.8-63.6-58.9-69.500112.9D265 L320 S324 C325 Q326 V331 V333D265-M322 WeakPolarHBondContact O-CE 3.35Å; L320-M322 HydrophobicContact CD2-SD 3.83Å; L320-M322 HydrophobicContact CG-SD 4.06Å; L320-M322 PolarHBondContact O-N 3.03Å; M322-S324 PolarHBondContact O-N 2.96Å; M322-S324 VanDerWaalsContact O-N 3.09Å; M322-C325 WeakPolarHBondContact CE-SG 3.32Å; M322-C325 PolarHBondContact O-N 2.98Å; M322-Q326 WeakPolarHBondContact O-CA 3.07Å; M322-Q326 PolarHBondContact O-N 3.4Å; M322-V331 HydrophobicContact CB-CG2 3.95Å; M322-V331 WeakPolarHBondContact CB-O 3.42Å; M322-V331 HydrophobicContact CG-CG2 4.46Å; M322-V331 PolarHBondContact N-O 2.65Å; M322-V333 HydrophobicContact CG-CB 4.42Å; M322-V333 HydrophobicContact CG-CG2 3.68Å; M322-V333 HydrophobicContact SD-CG2 4.07Å
323S91.7Very high93.5Very high43 Ų4334.9 Ų34.930%0.30120%0.198SC..THydrogen-bonded Turntrans-61-21.4-175.461.20000114.1L309 D321 P327L309-S323 VanDerWaalsContact CD1-OG 3.23Å; L309-S323 WeakPolarHBondContact CD1-OG 3.35Å; D321-S323 WeakPolarHBondContact OD1-CB 3.41Å; D321-S323 PolarHBondContact OD1-N 2.94Å; D321-S323 PolarHBondContact OD1-OG 3.44Å; D321-S323 PolarHBondContact OD2-OG 2.93Å; D321-S323 VanDerWaalsContact OD2-OG 3.09Å; S323-P327 WeakPolarHBondContact O-CA 3.45Å
324S91.9Very high94Very high42 Ų4231.2 Ų31.229%0.29418%0.179SC..THydrogen-bonded Turntrans-72.9-45.8175-171.50000113.2Y232 M322Y232-S324 VanDerWaalsContact O-CB 3.25Å; Y232-S324 WeakPolarHBondContact O-CB 3.29Å; Y232-S324 PolarHBondContact O-OG 3.32Å; M322-S324 PolarHBondContact O-N 2.96Å; M322-S324 VanDerWaalsContact O-N 3.09Å
325C91.8Very high94.2Very high21 Ų2130.8 Ų30.814%0.14217%0.174CC..THydrogen-bonded Turntrans-93.7-16.7-178.977.30000113.9Y232 C267 M322 P327Y232-C325 HydrophobicContact CD1-CB 3.48Å; Y232-C325 VanDerWaalsContact CD1-CB 3.48Å; Y232-C325 HydrophobicContact CD2-CB 4.06Å; Y232-C325 HydrophobicContact CE1-CB 3.76Å; Y232-C325 HydrophobicContact CE2-CB 4.3Å; Y232-C325 HydrophobicContact CG-CB 3.65Å; C267-C325 HydrophobicContact CB-CB 3.44Å; C267-C325 VanDerWaalsContact CB-CB 3.44Å; C267-C325 WeakPolarHBondContact CB-SG 3.38Å; C267-C325 WeakPolarHBondContact SG-CB 3.36Å; C267-C325 CovalentContact SG-SG 2.04Å; C267-C325 PolarHBondContact SG-SG 3.38Å; M322-C325 WeakPolarHBondContact CE-SG 3.32Å; M322-C325 PolarHBondContact O-N 2.98Å; C325-P327 VanDerWaalsContact C-CD 3.46Å
326Q91.8Very high94.3Very high75 Ų7529 Ų2935%0.3517%0.167SC..SBendtrans-124.369.5170.4-60.7-165.33.300110M322 N328 A329M322-Q326 WeakPolarHBondContact O-CA 3.07Å; M322-Q326 PolarHBondContact O-N 3.4Å; Q326-N328 PolarHBondContact O-N 3.36Å; Q326-A329 HydrophobicContact CB-CB 3.98Å; Q326-A329 PolarHBondContact O-N 2.92Å
327P87.1Confident94.4Very high77 Ų7724.7 Ų24.750%0.515%0.148SC..THydrogen-bonded Turntrans-61.9-17.1-172.525-35.7000114.6K136 S323 C325K136-P327 WeakPolarHBondContact CE-O 3.16Å; K136-P327 PolarHBondContact NZ-O 3.26Å; S323-P327 WeakPolarHBondContact O-CA 3.45Å; C325-P327 VanDerWaalsContact C-CD 3.46Å
328N86.3Confident94.4Very high82 Ų8222.4 Ų22.444%0.43914%0.136SC..THydrogen-bonded Turntrans-95.5-2.4177.8-66.4-28.1000113.9K136 S188 Q326K136-N328 PolarHBondContact NZ-OD1 2.83Å; S188-N328 PolarHBondContact OG-ND2 3.31Å; Q326-N328 PolarHBondContact O-N 3.36Å
329A91.2Very high94.4Very high26 Ų2622.8 Ų22.822%0.21514%0.137CC..  trans-112.7121.2-177.800000110.3Q326 V331Q326-A329 HydrophobicContact CB-CB 3.98Å; Q326-A329 PolarHBondContact O-N 2.92Å; A329-V331 HydrophobicContact CB-CG1 4.26Å; A329-V331 HydrophobicContact CB-CG2 3.82Å; A329-V331 PolarHBondContact O-N 3.5Å
330P92.6Very high94.2Very high12 Ų1227.2 Ų27.28%0.07816%0.16CC..  trans-81.759.2177.536.4-38.1000109.7V131 A132 T135 V383 I384V131-P330 HydrophobicContact CB-CG 4.39Å; V131-P330 HydrophobicContact CG1-CB 4.17Å; V131-P330 HydrophobicContact CG1-CG 3.9Å; A132-P330 HydrophobicContact CB-CG 4.03Å; T135-P330 HydrophobicContact CG2-CB 3.92Å; P330-V383 HydrophobicContact CG-CG1 4.38Å; P330-V383 WeakPolarHBondContact O-CA 3.06Å; P330-I384 PolarHBondContact O-N 2.73Å
331V95.9Very high94.2Very high19 Ų1927.6 Ų27.612%0.11516%0.164CC..EExtended strand (participates in β ladder)trans-122.8145.5-170.4-590000113.2M322 A329 I381 N382M322-V331 HydrophobicContact CB-CG2 3.95Å; M322-V331 WeakPolarHBondContact CB-O 3.42Å; M322-V331 HydrophobicContact CG-CG2 4.46Å; M322-V331 PolarHBondContact N-O 2.65Å; A329-V331 HydrophobicContact CB-CG1 4.26Å; A329-V331 HydrophobicContact CB-CG2 3.82Å; A329-V331 PolarHBondContact O-N 3.5Å; V331-I381 HydrophobicContact CB-CG2 4.08Å; V331-I381 HydrophobicContact CG1-CG2 4.01Å; V331-N382 CarbonylContact C-O 3.56Å; V331-N382 WeakPolarHBondContact CA-O 3.47Å
332V96.9Very high94.3Very high0 Ų028.7 Ų28.70%017%0.17CC..EExtended strand (participates in β ladder)trans-122.6144.6165.8-57.20000110.4F315 V319 L320 D321 N382 I384 L401F315-V332 HydrophobicContact CD2-CG1 4.33Å; F315-V332 HydrophobicContact CE1-CG1 4.49Å; F315-V332 HydrophobicContact CE2-CG1 3.83Å; F315-V332 HydrophobicContact CZ-CG1 3.92Å; V319-V332 HydrophobicContact CB-CB 4.45Å; V319-V332 HydrophobicContact CB-CG2 4.32Å; L320-V332 CarbonylContact O-C 3.55Å; L320-V332 WeakPolarHBondContact O-CA 3.22Å; L320-V332 WeakPolarHBondContact O-CB 3.24Å; D321-V332 HydrophobicContact CB-CG1 4.31Å; V332-N382 HydrophobicContact CG2-CB 3.82Å; V332-N382 PolarHBondContact N-O 3.14Å; V332-N382 PolarHBondContact O-N 3.26Å; V332-N382 PolarHBondContact O-ND2 3.47Å; V332-I384 HydrophobicContact CG1-CD1 3.62Å; V332-I384 HydrophobicContact CG1-CG1 3.7Å; V332-L401 HydrophobicContact CG1-CD2 4.42Å; V332-L401 HydrophobicContact CG2-CD1 3.82Å; V332-L401 HydrophobicContact CG2-CD2 3.73Å; V332-L401 HydrophobicContact CG2-CG 4.25Å
333V97.6Very high94.3Very high10 Ų1036 Ų366%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-94.6140.2175.7172.10000109.9L266 V319 L320 M322 L379 Q380L266-V333 HydrophobicContact CD2-CB 4.22Å; L266-V333 HydrophobicContact CD2-CG1 3.81Å; L266-V333 HydrophobicContact CD2-CG2 3.92Å; V319-V333 CarbonylContact C-O 3.45Å; V319-V333 VanDerWaalsContact CA-O 3.24Å; V319-V333 WeakPolarHBondContact CA-O 3.33Å; L320-V333 PolarHBondContact N-O 3.08Å; L320-V333 PolarHBondContact O-N 3.17Å; M322-V333 HydrophobicContact CG-CB 4.42Å; M322-V333 HydrophobicContact CG-CG2 3.68Å; M322-V333 HydrophobicContact SD-CG2 4.07Å; V333-L379 HydrophobicContact CG1-CB 4.4Å; V333-L379 HydrophobicContact CG1-CD2 4.03Å; V333-Q380 CarbonylContact C-O 3.54Å; V333-Q380 VanDerWaalsContact CA-O 3.27Å; V333-Q380 WeakPolarHBondContact CA-O 3.21Å
334S97.6Very high94.6Very high0 Ų036 Ų360%020%0.201CC..EExtended strand (participates in β ladder)trans-138.3177.8171.570.40000110.4G318 Q380 N382G318-S334 WeakPolarHBondContact O-CB 3.37Å; S334-Q380 PolarHBondContact N-O 2.82Å; S334-Q380 PolarHBondContact O-N 2.87Å; S334-N382 WeakPolarHBondContact CB-ND2 3.48Å; S334-N382 PolarHBondContact OG-ND2 2.99Å
335Q97.2Very high94.8Very high9 Ų935.3 Ų35.34%0.04219%0.192CC..SBendtrans-72.7158.3158.7-63.8-171.3105.900110.2L290 F295 F338 L339 N340 N360L290-Q335 HydrophobicContact CD1-CG 4.49Å; F295-Q335 HydrophobicContact CD2-CG 4.12Å; F295-Q335 HydrophobicContact CE2-CG 3.95Å; Q335-F338 PolarHBondContact O-N 3.39Å; Q335-L339 HydrophobicContact CB-CB 3.93Å; Q335-L339 PolarHBondContact NE2-O 3.02Å; Q335-N340 PolarHBondContact NE2-ND2 3.18Å; Q335-N340 VanDerWaalsContact NE2-ND2 3.15Å; Q335-N360 PolarHBondContact OE1-OD1 2.97Å
336P97.9Very high95Very high0 Ų035.1 Ų35.10%019%0.189CC..G310 helixtrans-56144178.5-1726.2000112.4F338 L339 Y359 K378 Y406P336-F338 PolarHBondContact O-N 3.46Å; P336-L339 WeakPolarHBondContact O-CB 3.49Å; P336-L339 PolarHBondContact O-N 3.47Å; P336-Y359 HydrophobicContact CB-CD1 3.7Å; P336-Y359 HydrophobicContact CB-CG 3.87Å; P336-Y359 WeakPolarHBondContact CD-O 3.28Å; P336-Y359 HydrophobicContact CG-CD1 4.31Å; P336-K378 HydrophobicContact CG-CB 3.75Å; P336-Y406 HydrophobicContact CB-CD1 4.22Å; P336-Y406 HydrophobicContact CB-CD2 3.86Å; P336-Y406 HydrophobicContact CB-CE2 4.39Å; P336-Y406 HydrophobicContact CB-CG 3.77Å; P336-Y406 HydrophobicContact CG-CD2 3.83Å; P336-Y406 HydrophobicContact CG-CE2 4.48Å; P336-Y406 HydrophobicContact CG-CG 4.12Å
337H97.7Very high95.2Very high4 Ų435.5 Ų35.52%0.01920%0.197CC..G310 helixtrans52.928.3-178.9-70-94.9000113.7F58 Q76 L339 I352 Q353 Y354 Y359F58-H337 AromaticContact CE1-CE1 3.7Å; F58-H337 AromaticContact CE1-NE2 3.94Å; F58-H337 AromaticContact CZ-NE2 3.87Å; Q76-H337 PolarHBondContact OE1-CE1 3.31Å; Q76-H337 PolarHBondContact OE1-NE2 3.15Å; H337-L339 PolarHBondContact O-N 3.38Å; H337-I352 HydrophobicContact CB-CG2 3.89Å; H337-I352 WeakPolarHBondContact O-CG2 3.13Å; H337-Q353 PolarHBondContact ND1-N 3.01Å; H337-Y354 WeakPolarHBondContact O-CA 3.41Å; H337-Y354 WeakPolarHBondContact O-CB 3.22Å; H337-Y359 HydrophobicContact CB-CD2 4.01Å; H337-Y359 HydrophobicContact CB-CE2 4.06Å; H337-Y359 AromaticContact CD2-CD1 3.99Å; H337-Y359 AromaticContact CD2-CD2 3.81Å; H337-Y359 AromaticContact CD2-CE1 3.52Å; H337-Y359 AromaticContact CD2-CE2 3.33Å; H337-Y359 WeakPolarHBondContact CD2-CE2 3.4Å; H337-Y359 AromaticContact CD2-CZ 3.19Å; H337-Y359 AromaticContact CG-CE2 3.71Å; H337-Y359 AromaticContact NE2-CE1 3.87Å; H337-Y359 AromaticContact NE2-CE2 3.91Å; H337-Y359 AromaticContact NE2-CZ 3.41Å; H337-Y359 PolarHBondContact NE2-OH 3.46Å
338F97.5Very high95.6Very high0 Ų033.2 Ų33.20%019%0.185CC..G310 helixtrans54.235.6-176.2-63.8-66.1000113.3V319 Q335 P336 N340 A341 Q346 I349 N382 L401 P403V319-F338 HydrophobicContact CG1-CD1 4.36Å; V319-F338 HydrophobicContact CG1-CE1 4.26Å; Q335-F338 PolarHBondContact O-N 3.39Å; P336-F338 PolarHBondContact O-N 3.46Å; F338-N340 PolarHBondContact O-N 2.87Å; F338-A341 HydrophobicContact CB-CB 3.86Å; F338-A341 HydrophobicContact CD1-CB 4.35Å; F338-A341 VanDerWaalsContact O-CB 3.25Å; F338-A341 WeakPolarHBondContact O-CB 3.25Å; F338-A341 PolarHBondContact O-N 3.19Å; F338-Q346 HydrophobicContact CB-CG 3.85Å; F338-Q346 PolarHBondContact O-NE2 3.18Å; F338-I349 HydrophobicContact CD2-CD1 4.44Å; F338-I349 HydrophobicContact CE2-CD1 3.6Å; F338-I349 HydrophobicContact CZ-CD1 4.43Å; F338-N382 WeakPolarHBondContact CE1-OD1 3.38Å; F338-N382 HydrophobicContact CZ-CB 4.32Å; F338-N382 WeakPolarHBondContact CZ-OD1 3.4Å; F338-L401 HydrophobicContact CE1-CB 4.38Å; F338-L401 HydrophobicContact CZ-CB 4.03Å; F338-L401 WeakPolarHBondContact CZ-O 3.41Å; F338-P403 HydrophobicContact CD2-CG 4.41Å; F338-P403 HydrophobicContact CE2-CG 3.49Å; F338-P403 VanDerWaalsContact CE2-CG 3.49Å; F338-P403 HydrophobicContact CZ-CG 3.93Å
339L95.8Very high96.1Very high12 Ų1229.6 Ų29.66%0.06317%0.165CC..THydrogen-bonded Turntrans-54.2130.2172.6178.769000110.2Q335 P336 H337 A341 Y354 N360Q335-L339 HydrophobicContact CB-CB 3.93Å; Q335-L339 PolarHBondContact NE2-O 3.02Å; P336-L339 WeakPolarHBondContact O-CB 3.49Å; P336-L339 PolarHBondContact O-N 3.47Å; H337-L339 PolarHBondContact O-N 3.38Å; L339-A341 PolarHBondContact O-N 2.75Å; L339-Y354 WeakPolarHBondContact CD1-O 3.4Å; L339-N360 HydrophobicContact CD2-CB 3.86Å
340N93.7Very high96.4Very high106 Ų10631.6 Ų31.657%0.56717%0.172SC*.THydrogen-bonded Turntrans5919.6-176-51.8-28.8000115Q335 F338Q335-N340 PolarHBondContact NE2-ND2 3.18Å; Q335-N340 VanDerWaalsContact NE2-ND2 3.15Å; F338-N340 PolarHBondContact O-N 2.87Å
341A96.1Very high96.5Very high12 Ų1236.2 Ų36.210%0.09920%0.196CC..SBendtrans-94.5168.6173.600000112.8D317 F338 L339 K343 Y345 Q346D317-A341 CarbonylContact O-C 3.53Å; D317-A341 WeakPolarHBondContact O-CA 3.43Å; D317-A341 WeakPolarHBondContact O-CB 3.33Å; F338-A341 HydrophobicContact CB-CB 3.86Å; F338-A341 HydrophobicContact CD1-CB 4.35Å; F338-A341 VanDerWaalsContact O-CB 3.25Å; F338-A341 WeakPolarHBondContact O-CB 3.25Å; F338-A341 PolarHBondContact O-N 3.19Å; L339-A341 PolarHBondContact O-N 2.75Å; A341-K343 PolarHBondContact O-N 2.87Å; A341-Y345 HydrophobicContact CB-CD2 4.13Å; A341-Q346 PolarHBondContact O-NE2 3.02Å; A341-Q346 VanDerWaalsContact O-NE2 3.14Å
342D96.5Very high96.4Very high50 Ų5036.2 Ų36.227%0.26720%0.195SC..  trans-57.8137174.3-172.8-87000111.1K316 D317 S344 Y345K316-D342 HydrophobicContact CB-CB 3.75Å; K316-D342 HydrophobicContact CD-CB 4.09Å; K316-D342 VanDerWaalsContact CD-CG 3.47Å; K316-D342 IonicContact NZ-OD1 3.59Å; D317-D342 PolarHBondContact O-N 3.06Å; D342-S344 PolarHBondContact O-N 3.44Å; D342-S344 WeakPolarHBondContact OD1-CB 3.31Å; D342-S344 PolarHBondContact OD1-N 2.9Å; D342-S344 PolarHBondContact OD1-OG 3.34Å; D342-Y345 HydrophobicContact CB-CD2 4.02Å; D342-Y345 HydrophobicContact CB-CE2 4.06Å; D342-Y345 PolarHBondContact O-N 3.05Å
343K96.3Very high96.2Very high157 Ų15740.9 Ų40.968%0.68322%0.217SC*.Hα-helixtrans-58.3-24.4-177.6-69.7-175.8178.6179.50112.9A341 Y345 Q346 T347A341-K343 PolarHBondContact O-N 2.87Å; K343-Y345 VanDerWaalsContact C-N 3.28Å; K343-Y345 PolarHBondContact O-N 3.07Å; K343-Q346 PolarHBondContact O-N 2.84Å; K343-T347 WeakPolarHBondContact O-CB 3.07Å; K343-T347 WeakPolarHBondContact O-CG2 3.36Å; K343-T347 PolarHBondContact O-N 3.36Å; K343-T347 PolarHBondContact O-OG1 2.93Å
344S96.4Very high95.9Very high42 Ų4245.7 Ų45.729%0.29424%0.235SC..Hα-helixtrans-64.2-32176.960.90000112.7K316 D342 A348K316-S344 PolarHBondContact NZ-OG 2.97Å; K316-S344 VanDerWaalsContact NZ-OG 3.11Å; D342-S344 PolarHBondContact O-N 3.44Å; D342-S344 WeakPolarHBondContact OD1-CB 3.31Å; D342-S344 PolarHBondContact OD1-N 2.9Å; D342-S344 PolarHBondContact OD1-OG 3.34Å; S344-A348 WeakPolarHBondContact O-CB 3.42Å; S344-A348 PolarHBondContact O-N 3.46Å
345Y97Very high95.5Very high28 Ų2851.7 Ų51.711%0.1127%0.267CS..Hα-helixtrans-71.6-39.1174-56.2-43.9000112K316 V319 A341 D342 K343 L401K316-Y345 HydrophobicContact CB-CE2 3.96Å; K316-Y345 WeakPolarHBondContact CB-OH 3.36Å; K316-Y345 PolarHBondContact N-OH 3.2Å; V319-Y345 HydrophobicContact CG1-CD2 4.09Å; V319-Y345 HydrophobicContact CG1-CE2 3.97Å; V319-Y345 HydrophobicContact CG2-CE2 4.12Å; A341-Y345 HydrophobicContact CB-CD2 4.13Å; D342-Y345 HydrophobicContact CB-CD2 4.02Å; D342-Y345 HydrophobicContact CB-CE2 4.06Å; D342-Y345 PolarHBondContact O-N 3.05Å; K343-Y345 VanDerWaalsContact C-N 3.28Å; K343-Y345 PolarHBondContact O-N 3.07Å; Y345-L401 HydrophobicContact CD1-CD1 3.6Å; Y345-L401 HydrophobicContact CD1-CG 4.1Å; Y345-L401 HydrophobicContact CD2-CD1 4.45Å; Y345-L401 HydrophobicContact CE1-CD1 3.43Å; Y345-L401 VanDerWaalsContact CE1-CD1 3.43Å; Y345-L401 HydrophobicContact CE1-CG 4.04Å; Y345-L401 HydrophobicContact CE2-CD1 4.29Å; Y345-L401 HydrophobicContact CG-CD1 4.13Å
346Q95.9Very high95.3Very high16 Ų1653.3 Ų53.38%0.07528%0.276CS..Hα-helixtrans-69.2-43.5-179.6-63.3163.6-2.100111.9F338 A341 K343 A348 I349 Y354F338-Q346 HydrophobicContact CB-CG 3.85Å; F338-Q346 PolarHBondContact O-NE2 3.18Å; A341-Q346 PolarHBondContact O-NE2 3.02Å; A341-Q346 VanDerWaalsContact O-NE2 3.14Å; K343-Q346 PolarHBondContact O-N 2.84Å; Q346-A348 VanDerWaalsContact C-N 3.32Å; Q346-A348 PolarHBondContact O-N 3.44Å; Q346-I349 VanDerWaalsContact O-O 3.13Å; Q346-Y354 HydrophobicContact CB-CD1 3.9Å; Q346-Y354 HydrophobicContact CB-CE1 4.44Å; Q346-Y354 HydrophobicContact CB-CG 4.29Å; Q346-Y354 HydrophobicContact CG-CD1 4.05Å; Q346-Y354 HydrophobicContact CG-CG 3.93Å
347T95.8Very high94.9Very high84 Ų8460.3 Ų60.352%0.51531%0.309SS..Hα-helixtrans-80.5-11.5-175.754.60000114K71 K343 I349K71-T347 WeakPolarHBondContact CE-O 3.39Å; K71-T347 PolarHBondContact NZ-O 2.92Å; K343-T347 WeakPolarHBondContact O-CB 3.07Å; K343-T347 WeakPolarHBondContact O-CG2 3.36Å; K343-T347 PolarHBondContact O-N 3.36Å; K343-T347 PolarHBondContact O-OG1 2.93Å; T347-I349 VanDerWaalsContact C-N 3.27Å
348A96.4Very high94.6Very high29 Ų2966.9 Ų66.924%0.2434%0.34CS..THydrogen-bonded Turntrans-74.7-16.1176.100000113.3S344 Q346 I400S344-A348 WeakPolarHBondContact O-CB 3.42Å; S344-A348 PolarHBondContact O-N 3.46Å; Q346-A348 VanDerWaalsContact C-N 3.32Å; Q346-A348 PolarHBondContact O-N 3.44Å; A348-I400 HydrophobicContact CB-CD1 4.02Å; A348-I400 HydrophobicContact CB-CG1 4.17Å
349I96.9Very high94.5Very high5 Ų567.6 Ų67.63%0.02634%0.343CS..SBendtrans-132.4137.1-171.3-59.3152000109.4P72 L74 F338 Q346 T347 I352 I400 L401 P403P72-I349 HydrophobicContact CG-CG1 4.02Å; P72-I349 HydrophobicContact CG-CG2 4.37Å; L74-I349 HydrophobicContact CB-CG2 4.47Å; L74-I349 HydrophobicContact CD1-CG2 3.52Å; L74-I349 HydrophobicContact CG-CG2 3.72Å; F338-I349 HydrophobicContact CD2-CD1 4.44Å; F338-I349 HydrophobicContact CE2-CD1 3.6Å; F338-I349 HydrophobicContact CZ-CD1 4.43Å; Q346-I349 VanDerWaalsContact O-O 3.13Å; T347-I349 VanDerWaalsContact C-N 3.27Å; I349-I352 HydrophobicContact CB-CD1 4.42Å; I349-I352 HydrophobicContact CB-CG1 3.77Å; I349-I352 HydrophobicContact CG2-CD1 3.94Å; I349-I352 HydrophobicContact CG2-CG1 3.68Å; I349-I400 HydrophobicContact CG1-CD1 3.84Å; I349-I400 HydrophobicContact CG1-CG1 4.41Å; I349-L401 WeakPolarHBondContact CD1-O 3.37Å; I349-P403 HydrophobicContact CD1-CG 3.85Å
350D95.9Very high94.5Very high68 Ų6868.3 Ų68.336%0.36435%0.346SS..BIsolated β-bridgetrans-84.5149.6174.8-68.9-21.3000111.1P72 I73 L74P72-D350 PolarHBondContact O-N 3.19Å; P72-D350 VanDerWaalsContact O-N 3.08Å; I73-D350 HydrophobicContact CG1-CB 4.09Å; L74-D350 PolarHBondContact N-O 3.36Å
351N94.6Very high94.6Very high109 Ų10963.4 Ų63.458%0.58332%0.32SS*.THydrogen-bonded Turntrans69.425.9-178.2-55.1-29.1000116.6I73 L74I73-N351 WeakPolarHBondContact CG2-ND2 3.48Å; L74-N351 WeakPolarHBondContact O-CB 3.39Å; L74-N351 PolarHBondContact O-ND2 3.29Å
352I93.9Very high94.6Very high19 Ų1963.4 Ų63.410%0.09732%0.32CS..  trans-84.8131.3169.8-62.8-61.5000111H337 I349 Y354 P403H337-I352 HydrophobicContact CB-CG2 3.89Å; H337-I352 WeakPolarHBondContact O-CG2 3.13Å; I349-I352 HydrophobicContact CB-CD1 4.42Å; I349-I352 HydrophobicContact CB-CG1 3.77Å; I349-I352 HydrophobicContact CG2-CD1 3.94Å; I349-I352 HydrophobicContact CG2-CG1 3.68Å; I352-Y354 HydrophobicContact CG2-CD1 4.39Å; I352-P403 HydrophobicContact CD1-CG 4.15Å
353Q94.2Very high94.6Very high99 Ų9961.5 Ų61.546%0.46331%0.309SS..  trans-106.165.1-179.2-67-179.7-16.900111.9H337 N355 Y359H337-Q353 PolarHBondContact ND1-N 3.01Å; Q353-N355 PolarHBondContact O-N 3.11Å; Q353-Y359 HydrophobicContact CB-CE2 3.83Å; Q353-Y359 WeakPolarHBondContact O-CD2 3.26Å; Q353-Y359 WeakPolarHBondContact O-CE2 3.34Å; Q353-Y359 PolarHBondContact OE1-OH 2.88Å
354Y89.8Confident94.5Very high110 Ų11056.3 Ų56.343%0.43129%0.286SS..THydrogen-bonded Turntrans-72.1-7.1-17057.8-96.6000115.9H337 L339 Q346 I352H337-Y354 WeakPolarHBondContact O-CA 3.41Å; H337-Y354 WeakPolarHBondContact O-CB 3.22Å; L339-Y354 WeakPolarHBondContact CD1-O 3.4Å; Q346-Y354 HydrophobicContact CB-CD1 3.9Å; Q346-Y354 HydrophobicContact CB-CE1 4.44Å; Q346-Y354 HydrophobicContact CB-CG 4.29Å; Q346-Y354 HydrophobicContact CG-CD1 4.05Å; Q346-Y354 HydrophobicContact CG-CG 3.93Å; I352-Y354 HydrophobicContact CG2-CD1 4.39Å
355N90.5Very high94.4Very high126 Ų12654.3 Ų54.367%0.67427%0.272SS*.THydrogen-bonded Turntrans-107.34.9-176.464.7-21.1000113.7Q353 E357Q353-N355 PolarHBondContact O-N 3.11Å; N355-E357 PolarHBondContact O-N 3.47Å
356N92.3Very high94.2Very high43 Ų4353.2 Ų53.223%0.2327%0.267CS..  trans-84.5113178-175.3-2.3000110.4E358 Y359N356-E358 PolarHBondContact ND2-OE2 2.71Å; N356-E358 PolarHBondContact O-N 3.45Å; N356-E358 VanDerWaalsContact OD1-CB 3.28Å; N356-E358 WeakPolarHBondContact OD1-CB 3.34Å; N356-E358 WeakPolarHBondContact OD1-CG 3.37Å; N356-E358 PolarHBondContact OD1-N 3.2Å; N356-Y359 HydrophobicContact CB-CD2 3.66Å; N356-Y359 HydrophobicContact CB-CE2 3.62Å; N356-Y359 PolarHBondContact O-N 3.21Å; N356-Y359 VanDerWaalsContact O-N 3.08Å
357E89.1Confident94.1Very high148 Ų14853.2 Ų53.269%0.69227%0.269SS*.G310 helixtrans-61.8-21.4178.3-66.4-166.8170.700113.5N355 Y359 N360N355-E357 PolarHBondContact O-N 3.47Å; E357-Y359 PolarHBondContact O-N 2.91Å; E357-Y359 VanDerWaalsContact O-N 3.17Å; E357-N360 VanDerWaalsContact O-CB 3.26Å; E357-N360 WeakPolarHBondContact O-CB 3.44Å; E357-N360 PolarHBondContact O-N 2.94Å
358E92.9Very high93.8Very high141 Ų14152.1 Ų52.166%0.65926%0.259SS*.G310 helixtrans-62.3-20.1174.6-64.9-178.2157.900112.3N356 N360 K378N356-E358 PolarHBondContact ND2-OE2 2.71Å; N356-E358 PolarHBondContact O-N 3.45Å; N356-E358 VanDerWaalsContact OD1-CB 3.28Å; N356-E358 WeakPolarHBondContact OD1-CB 3.34Å; N356-E358 WeakPolarHBondContact OD1-CG 3.37Å; N356-E358 PolarHBondContact OD1-N 3.2Å; E358-N360 PolarHBondContact O-N 2.57Å; E358-K378 WeakPolarHBondContact O-CD 3.39Å; E358-K378 VanDerWaalsContact O-CE 3.26Å; E358-K378 WeakPolarHBondContact O-CE 3.44Å; E358-K378 PolarHBondContact O-NZ 3.34Å
359Y95.5Very high93.5Very high16 Ų1651 Ų516%0.06325%0.25CC..G310 helixtrans-77.2-7.4174.9-66.3-47.6000113.8P336 H337 Q353 N356 E357 Y406P336-Y359 HydrophobicContact CB-CD1 3.7Å; P336-Y359 HydrophobicContact CB-CG 3.87Å; P336-Y359 WeakPolarHBondContact CD-O 3.28Å; P336-Y359 HydrophobicContact CG-CD1 4.31Å; H337-Y359 HydrophobicContact CB-CD2 4.01Å; H337-Y359 HydrophobicContact CB-CE2 4.06Å; H337-Y359 AromaticContact CD2-CD1 3.99Å; H337-Y359 AromaticContact CD2-CD2 3.81Å; H337-Y359 AromaticContact CD2-CE1 3.52Å; H337-Y359 AromaticContact CD2-CE2 3.33Å; H337-Y359 WeakPolarHBondContact CD2-CE2 3.4Å; H337-Y359 AromaticContact CD2-CZ 3.19Å; H337-Y359 AromaticContact CG-CE2 3.71Å; H337-Y359 AromaticContact NE2-CE1 3.87Å; H337-Y359 AromaticContact NE2-CE2 3.91Å; H337-Y359 AromaticContact NE2-CZ 3.41Å; H337-Y359 PolarHBondContact NE2-OH 3.46Å; Q353-Y359 HydrophobicContact CB-CE2 3.83Å; Q353-Y359 WeakPolarHBondContact O-CD2 3.26Å; Q353-Y359 WeakPolarHBondContact O-CE2 3.34Å; Q353-Y359 PolarHBondContact OE1-OH 2.88Å; N356-Y359 HydrophobicContact CB-CD2 3.66Å; N356-Y359 HydrophobicContact CB-CE2 3.62Å; N356-Y359 PolarHBondContact O-N 3.21Å; N356-Y359 VanDerWaalsContact O-N 3.08Å; E357-Y359 PolarHBondContact O-N 2.91Å; E357-Y359 VanDerWaalsContact O-N 3.17Å; Y359-Y406 HydrophobicContact CE1-CE1 4.42Å
360N95.3Very high93.1Very high26 Ų2650.9 Ų50.914%0.13925%0.25CC..SBendtrans-73.8143.6177.4-155.6-19.7000111.2Q335 L339 E357 E358 S362Q335-N360 PolarHBondContact OE1-OD1 2.97Å; L339-N360 HydrophobicContact CD2-CB 3.86Å; E357-N360 VanDerWaalsContact O-CB 3.26Å; E357-N360 WeakPolarHBondContact O-CB 3.44Å; E357-N360 PolarHBondContact O-N 2.94Å; E358-N360 PolarHBondContact O-N 2.57Å; N360-S362 PolarHBondContact O-N 3.27Å
361T95.7Very high92.7Very high3 Ų349.8 Ų49.82%0.01824%0.243CC..  trans-67.7129.9167.8-730000109I289 L290 I363 S376 I377 K378I289-T361 WeakPolarHBondContact CA-O 3.24Å; I289-T361 WeakPolarHBondContact CG2-O 3.38Å; L290-T361 HydrophobicContact CD2-CG2 4.4Å; L290-T361 HydrophobicContact CG-CG2 4.24Å; T361-I363 HydrophobicContact CG2-CD1 4.4Å; T361-I363 HydrophobicContact CG2-CG1 4.28Å; T361-S376 CarbonylContact C-O 3.56Å; T361-S376 VanDerWaalsContact CA-O 3.29Å; T361-S376 WeakPolarHBondContact CA-O 3.49Å; T361-I377 HydrophobicContact CG2-CG1 4.45Å; T361-K378 PolarHBondContact OG1-N 3.2Å; T361-K378 PolarHBondContact OG1-O 3.28Å
362S95.7Very high92.5Very high13 Ų1345.9 Ų45.99%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-132.6125.8-179.1-65.70000110.5K287 Y288 N360 A375 S376K287-S362 WeakPolarHBondContact CE-OG 3.36Å; Y288-S362 WeakPolarHBondContact O-CA 3.47Å; N360-S362 PolarHBondContact O-N 3.27Å; S362-A375 CarbonylContact O-C 3.57Å; S362-A375 WeakPolarHBondContact O-CA 3.41Å; S362-S376 PolarHBondContact N-O 2.97Å; S362-S376 PolarHBondContact O-N 3.26Å
363I95.5Very high92.4Very high10 Ų1045 Ų455%0.05122%0.218CC..EExtended strand (participates in β ladder)trans-126.6120.1-179.4-54.5174.3000107.8L272 Y288 T361 I365 I372 A375L272-I363 HydrophobicContact CD1-CD1 3.77Å; L272-I363 HydrophobicContact CD2-CD1 4.13Å; Y288-I363 PolarHBondContact N-O 2.86Å; Y288-I363 PolarHBondContact O-N 2.92Å; T361-I363 HydrophobicContact CG2-CD1 4.4Å; T361-I363 HydrophobicContact CG2-CG1 4.28Å; I363-I365 HydrophobicContact CG2-CD1 4.03Å; I363-I365 HydrophobicContact CG2-CG1 3.76Å; I363-I372 HydrophobicContact CG2-CG2 4.3Å; I363-A375 HydrophobicContact CB-CB 4.4Å; I363-A375 HydrophobicContact CG1-CB 4.15Å; I363-A375 HydrophobicContact CG2-CB 4.13Å
364Y95.3Very high92.4Very high48 Ų4841.9 Ų41.919%0.18820%0.204CC..EExtended strand (participates in β ladder)trans-102.8113.3179.6-63.2-93.5000109.1I280 V285 Y286 K287 I373 N374I280-Y364 HydrophobicContact CD1-CD1 3.89Å; I280-Y364 HydrophobicContact CD1-CD2 4.44Å; I280-Y364 HydrophobicContact CD1-CG 3.81Å; V285-Y364 HydrophobicContact CG2-CD1 3.9Å; Y286-Y364 WeakPolarHBondContact O-CA 3.44Å; K287-Y364 HydrophobicContact CB-CD1 4Å; K287-Y364 HydrophobicContact CB-CE1 3.79Å; K287-Y364 HydrophobicContact CD-CE1 3.94Å; K287-Y364 HydrophobicContact CG-CD1 4.26Å; K287-Y364 HydrophobicContact CG-CE1 3.76Å; Y364-I373 PolarHBondContact O-N 2.92Å; Y364-N374 WeakPolarHBondContact CB-O 3.4Å; Y364-N374 HydrophobicContact CD2-CB 3.87Å; Y364-N374 HydrophobicContact CG-CB 4.34Å; Y364-N374 PolarHBondContact N-O 2.77Å; Y364-N374 PolarHBondContact O-N 3.08Å
365I94.6Very high92.6Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-115.7132.1-175.4-52.4175.8000109.2Y249 M253 V285 Y286 Y288 I363 L371Y249-I365 HydrophobicContact CD1-CD1 4.32Å; Y249-I365 HydrophobicContact CD2-CD1 3.67Å; Y249-I365 HydrophobicContact CD2-CG1 4.37Å; Y249-I365 HydrophobicContact CD2-CG2 4.5Å; Y249-I365 HydrophobicContact CE1-CD1 4.21Å; Y249-I365 HydrophobicContact CE2-CD1 3.54Å; Y249-I365 HydrophobicContact CE2-CG1 4.32Å; Y249-I365 HydrophobicContact CG-CD1 4.06Å; M253-I365 HydrophobicContact SD-CD1 4.39Å; M253-I365 HydrophobicContact SD-CG2 3.68Å; V285-I365 CarbonylContact C-O 3.51Å; V285-I365 VanDerWaalsContact CA-O 3.28Å; V285-I365 WeakPolarHBondContact CA-O 3.48Å; Y286-I365 PolarHBondContact N-O 2.97Å; Y286-I365 PolarHBondContact O-N 2.88Å; Y288-I365 HydrophobicContact CD2-CB 4.45Å; Y288-I365 HydrophobicContact CD2-CD1 3.71Å; Y288-I365 HydrophobicContact CD2-CG1 4.14Å; Y288-I365 HydrophobicContact CE2-CD1 4.04Å; Y288-I365 HydrophobicContact CG-CD1 4.43Å; I363-I365 HydrophobicContact CG2-CD1 4.03Å; I363-I365 HydrophobicContact CG2-CG1 3.76Å; I365-L371 WeakPolarHBondContact CA-O 3.29Å
366E93.5Very high92.9Very high4 Ų431.3 Ų31.32%0.01916%0.156CC..  trans-77.2120.8169.8-167.3-69.4126.200108.9L283 V285 I368 T369 G370 L371 I373 L425L283-E366 HydrophobicContact CD1-CG 3.92Å; L283-E366 HydrophobicContact CD2-CB 4.35Å; L283-E366 HydrophobicContact CD2-CG 3.97Å; L283-E366 HydrophobicContact CG-CG 3.92Å; V285-E366 HydrophobicContact CG1-CB 4.48Å; E366-I368 PolarHBondContact O-N 2.95Å; E366-I368 WeakPolarHBondContact OE1-CB 3.39Å; E366-I368 WeakPolarHBondContact OE1-CG1 3.43Å; E366-I368 PolarHBondContact OE1-N 2.89Å; E366-I368 PolarHBondContact OE2-N 3.37Å; E366-T369 WeakPolarHBondContact OE2-CA 3.22Å; E366-T369 WeakPolarHBondContact OE2-CB 3.49Å; E366-T369 VanDerWaalsContact OE2-CG2 3.25Å; E366-T369 WeakPolarHBondContact OE2-CG2 3.31Å; E366-T369 PolarHBondContact OE2-N 2.85Å; E366-T369 PolarHBondContact OE2-OG1 2.8Å; E366-G370 WeakPolarHBondContact O-CA 3.43Å; E366-G370 PolarHBondContact O-N 3.46Å; E366-L371 PolarHBondContact N-O 3.45Å; E366-I373 HydrophobicContact CB-CD1 4.03Å; E366-I373 HydrophobicContact CB-CG1 3.98Å; E366-L425 HydrophobicContact CG-CD1 4.11Å
367P92.9Very high93Very high16 Ų1632 Ų3210%0.10416%0.16CC..THydrogen-bonded Turntrans-69.9-27.5-16526.4-36.2000115.3F252 M253 P284 Y286F252-P367 CarbonylContact C-O 3.54Å; F252-P367 WeakPolarHBondContact CA-O 3.29Å; F252-P367 PolarHBondContact N-O 3.5Å; M253-P367 PolarHBondContact N-O 2.82Å; P284-P367 WeakPolarHBondContact O-CD 3.25Å; Y286-P367 HydrophobicContact CD2-CB 3.91Å; Y286-P367 HydrophobicContact CE1-CB 4.31Å; Y286-P367 HydrophobicContact CE1-CG 4.25Å; Y286-P367 HydrophobicContact CE2-CB 3.47Å; Y286-P367 VanDerWaalsContact CE2-CB 3.47Å; Y286-P367 HydrophobicContact CE2-CG 4.29Å; Y286-P367 HydrophobicContact CG-CB 4.48Å
368I90.2Very high93.4Very high62 Ų6226.3 Ų26.332%0.31813%0.133SC..THydrogen-bonded Turntrans-76.2-44.4-177.9-59.2176.3000110.2L28 L251 F252 E366L28-I368 HydrophobicContact CD1-CG2 3.54Å; L251-I368 WeakPolarHBondContact CA-O 3.45Å; F252-I368 HydrophobicContact CD1-CG2 3.99Å; F252-I368 HydrophobicContact CE1-CG2 3.71Å; F252-I368 PolarHBondContact N-O 3.43Å; E366-I368 PolarHBondContact O-N 2.95Å; E366-I368 WeakPolarHBondContact OE1-CB 3.39Å; E366-I368 WeakPolarHBondContact OE1-CG1 3.43Å; E366-I368 PolarHBondContact OE1-N 2.89Å; E366-I368 PolarHBondContact OE2-N 3.37Å
369T88.4Confident93.6Very high6 Ų620.4 Ų20.44%0.03711%0.106CC..THydrogen-bonded Turntrans-96-16.8-17362.90000113.8L32 L251 E366 L371 L425L32-T369 HydrophobicContact CD1-CG2 3.54Å; L251-T369 WeakPolarHBondContact CD2-O 3.36Å; E366-T369 WeakPolarHBondContact OE2-CA 3.22Å; E366-T369 WeakPolarHBondContact OE2-CB 3.49Å; E366-T369 VanDerWaalsContact OE2-CG2 3.25Å; E366-T369 WeakPolarHBondContact OE2-CG2 3.31Å; E366-T369 PolarHBondContact OE2-N 2.85Å; E366-T369 PolarHBondContact OE2-OG1 2.8Å; T369-L371 PolarHBondContact O-N 3.03Å; T369-L371 WeakPolarHBondContact OG1-CB 3.37Å; T369-L371 WeakPolarHBondContact OG1-CG 3.5Å; T369-L371 PolarHBondContact OG1-N 3.04Å; T369-L425 HydrophobicContact CG2-CD1 3.71Å; T369-L425 HydrophobicContact CG2-CD2 3.67Å; T369-L425 HydrophobicContact CG2-CG 4.31Å
370G88.7Confident93.7Very high2 Ų219.7 Ų19.72%0.02110%0.103CC..  trans68.711.6-174.300000113.4E366E366-G370 WeakPolarHBondContact O-CA 3.43Å; E366-G370 PolarHBondContact O-N 3.46Å
371L88Confident93.8Very high45 Ų4519.9 Ų19.924%0.23610%0.103CC..  trans-77.7136.9-178.7-67.3175.8000111.3L40 I365 E366 T369 I373 L421L40-L371 HydrophobicContact CD1-CD2 4.12Å; I365-L371 WeakPolarHBondContact CA-O 3.29Å; E366-L371 PolarHBondContact N-O 3.45Å; T369-L371 PolarHBondContact O-N 3.03Å; T369-L371 WeakPolarHBondContact OG1-CB 3.37Å; T369-L371 WeakPolarHBondContact OG1-CG 3.5Å; T369-L371 PolarHBondContact OG1-N 3.04Å; L371-I373 PolarHBondContact O-N 3.49Å; L371-L421 HydrophobicContact CD1-CD1 4.25Å; L371-L421 HydrophobicContact CD1-CD2 3.97Å
372I90.8Very high94Very high26 Ų2619.8 Ų19.813%0.13310%0.103CC..EExtended strand (participates in β ladder)trans-77.9113.7173.2-57.1169.4000108.2G246 Y249 I363 A375 V411 L413G246-I372 WeakPolarHBondContact O-CD1 3.41Å; Y249-I372 HydrophobicContact CD2-CD1 4.35Å; Y249-I372 HydrophobicContact CD2-CG1 4.06Å; Y249-I372 HydrophobicContact CE2-CD1 3.8Å; Y249-I372 HydrophobicContact CE2-CG1 3.81Å; I363-I372 HydrophobicContact CG2-CG2 4.3Å; I372-A375 HydrophobicContact CG2-CB 3.69Å; I372-V411 HydrophobicContact CG2-CG1 4.23Å; I372-L413 VanDerWaalsContact O-CD1 3.25Å; I372-L413 WeakPolarHBondContact O-CD1 3.27Å
373I92.5Very high94Very high2 Ų219.2 Ų19.21%0.0110%0.099CC..EExtended strand (participates in β ladder)trans-85-38.3178.7-55.8-53.8000110.8I280 L283 V285 Y364 E366 L371 L413 I418 L421I280-I373 HydrophobicContact CB-CG2 4.32Å; I280-I373 HydrophobicContact CD1-CG2 4.07Å; I280-I373 HydrophobicContact CG2-CG2 4.17Å; L283-I373 HydrophobicContact CD2-CD1 3.64Å; L283-I373 HydrophobicContact CD2-CG1 3.98Å; V285-I373 HydrophobicContact CG1-CB 4.18Å; V285-I373 HydrophobicContact CG1-CG1 3.7Å; Y364-I373 PolarHBondContact O-N 2.92Å; E366-I373 HydrophobicContact CB-CD1 4.03Å; E366-I373 HydrophobicContact CB-CG1 3.98Å; L371-I373 PolarHBondContact O-N 3.49Å; I373-L413 HydrophobicContact CD1-CD2 4.28Å; I373-L413 VanDerWaalsContact O-CB 3.31Å; I373-L413 WeakPolarHBondContact O-CB 3.13Å; I373-L413 PolarHBondContact O-N 2.9Å; I373-I418 HydrophobicContact CG2-CD1 3.77Å; I373-I418 HydrophobicContact CG2-CG1 4.12Å; I373-L421 HydrophobicContact CD1-CD1 3.94Å
374N93.1Very high94.1Very high32 Ų3219.3 Ų19.317%0.17110%0.099CC..EExtended strand (participates in β ladder)trans-152.9133.7177.5175.30.9000107.4I280 Y364 V411 Y412I280-N374 HydrophobicContact CD1-CB 4.18Å; Y364-N374 WeakPolarHBondContact CB-O 3.4Å; Y364-N374 HydrophobicContact CD2-CB 3.87Å; Y364-N374 HydrophobicContact CG-CB 4.34Å; Y364-N374 PolarHBondContact N-O 2.77Å; Y364-N374 PolarHBondContact O-N 3.08Å; N374-V411 CarbonylContact C-O 3.6Å; N374-V411 WeakPolarHBondContact CA-O 3.4Å; N374-Y412 HydrophobicContact CB-CD1 4.28Å; N374-Y412 VanDerWaalsContact CG-CE1 3.42Å; N374-Y412 WeakPolarHBondContact ND2-CE1 3.43Å; N374-Y412 WeakPolarHBondContact OD1-CD1 3.48Å; N374-Y412 WeakPolarHBondContact OD1-CE1 3.49Å
375A94.6Very high94.1Very high5 Ų517.1 Ų17.14%0.0419%0.091CC..EExtended strand (participates in β ladder)trans-137.3145.7167.900000111S362 I363 I372 T410 V411S362-A375 CarbonylContact O-C 3.57Å; S362-A375 WeakPolarHBondContact O-CA 3.41Å; I363-A375 HydrophobicContact CB-CB 4.4Å; I363-A375 HydrophobicContact CG1-CB 4.15Å; I363-A375 HydrophobicContact CG2-CB 4.13Å; I372-A375 HydrophobicContact CG2-CB 3.69Å; A375-T410 VanDerWaalsContact O-CA 3.22Å; A375-T410 WeakPolarHBondContact O-CA 3.4Å; A375-V411 HydrophobicContact CB-CG1 3.79Å; A375-V411 PolarHBondContact N-O 3.45Å; A375-V411 PolarHBondContact O-N 3.44Å
376S95.8Very high94Very high9 Ų921 Ų216%0.06311%0.108CC..EExtended strand (participates in β ladder)trans-136.1101.5173.9175.30000107.1T361 S362 K378 N408 E409T361-S376 CarbonylContact C-O 3.56Å; T361-S376 VanDerWaalsContact CA-O 3.29Å; T361-S376 WeakPolarHBondContact CA-O 3.49Å; S362-S376 PolarHBondContact N-O 2.97Å; S362-S376 PolarHBondContact O-N 3.26Å; S376-K378 WeakPolarHBondContact OG-CE 3.25Å; S376-K378 PolarHBondContact OG-NZ 3.47Å; S376-N408 PolarHBondContact OG-OD1 3.33Å; S376-E409 CarbonylContact C-O 3.46Å; S376-E409 WeakPolarHBondContact CA-O 3.3Å
377I95.4Very high94Very high58 Ų5826.6 Ų26.630%0.29713%0.132SC..EExtended strand (participates in β ladder)trans-97.4119.5-179.3-58.3172.4000107.6T361 N408 E409T361-I377 HydrophobicContact CG2-CG1 4.45Å; I377-N408 CarbonylContact O-C 3.58Å; I377-N408 WeakPolarHBondContact O-CA 3.42Å; I377-E409 HydrophobicContact CB-CB 4.39Å; I377-E409 PolarHBondContact N-O 3.37Å; I377-E409 PolarHBondContact O-N 3.48Å
378K96.6Very high93.9Very high29 Ų2926.6 Ų26.613%0.12613%0.131CC..EExtended strand (participates in β ladder)trans-126.2121.3-171.7-67.4178.7-179.6127.30111.4P336 E358 T361 S376 F407 N408P336-K378 HydrophobicContact CG-CB 3.75Å; E358-K378 WeakPolarHBondContact O-CD 3.39Å; E358-K378 VanDerWaalsContact O-CE 3.26Å; E358-K378 WeakPolarHBondContact O-CE 3.44Å; E358-K378 PolarHBondContact O-NZ 3.34Å; T361-K378 PolarHBondContact OG1-N 3.2Å; T361-K378 PolarHBondContact OG1-O 3.28Å; S376-K378 WeakPolarHBondContact OG-CE 3.25Å; S376-K378 PolarHBondContact OG-NZ 3.47Å; K378-F407 WeakPolarHBondContact CA-O 3.46Å; K378-N408 WeakPolarHBondContact CE-OD1 3.35Å; K378-N408 HydrophobicContact CG-CB 4.07Å; K378-N408 WeakPolarHBondContact CG-OD1 3.4Å
379L97.1Very high93.8Very high17 Ų1727.7 Ų27.79%0.08914%0.142CC..EExtended strand (participates in β ladder)trans-142.5152.6178.6-67.1169.2000110.2L266 F295 V333 Y406 F407L266-L379 HydrophobicContact CD1-CD1 3.91Å; L266-L379 HydrophobicContact CD2-CD1 4.09Å; L266-L379 HydrophobicContact CG-CD1 4.24Å; F295-L379 HydrophobicContact CE2-CD2 4.37Å; F295-L379 HydrophobicContact CZ-CD2 3.94Å; V333-L379 HydrophobicContact CG1-CB 4.4Å; V333-L379 HydrophobicContact CG1-CD2 4.03Å; L379-Y406 CarbonylContact O-C 3.59Å; L379-Y406 VanDerWaalsContact O-CA 3.22Å; L379-Y406 WeakPolarHBondContact O-CA 3.26Å; L379-Y406 VanDerWaalsContact O-CB 3.32Å; L379-Y406 WeakPolarHBondContact O-CB 3.39Å; L379-F407 HydrophobicContact CB-CE1 3.9Å; L379-F407 HydrophobicContact CB-CE2 4.07Å; L379-F407 HydrophobicContact CB-CZ 3.59Å; L379-F407 HydrophobicContact CD1-CE2 4.31Å; L379-F407 HydrophobicContact CD1-CZ 3.91Å; L379-F407 HydrophobicContact CG-CZ 4.32Å; L379-F407 PolarHBondContact N-O 2.87Å; L379-F407 WeakPolarHBondContact O-CD1 3.24Å; L379-F407 PolarHBondContact O-N 3.38Å
380Q98.2Very high93.6Very high0 Ų032.6 Ų32.60%016%0.163CC..EExtended strand (participates in β ladder)trans-122.3139.6-179.3-179.5170.5-69.100110.7F58 V333 S334 N382 V405F58-Q380 HydrophobicContact CE2-CG 4.41Å; V333-Q380 CarbonylContact C-O 3.54Å; V333-Q380 VanDerWaalsContact CA-O 3.27Å; V333-Q380 WeakPolarHBondContact CA-O 3.21Å; S334-Q380 PolarHBondContact N-O 2.82Å; S334-Q380 PolarHBondContact O-N 2.87Å; Q380-N382 PolarHBondContact NE2-OD1 3.36Å; Q380-V405 WeakPolarHBondContact CA-O 3.27Å
381I98Very high93.5Very high31 Ų3132.8 Ų32.816%0.15916%0.163CC..EExtended strand (participates in β ladder)trans-104.5126173.7-60.7171.7000107.5L194 V331 L404 V405 F407L194-I381 HydrophobicContact CD2-CD1 3.86Å; L194-I381 HydrophobicContact CD2-CG2 4.46Å; V331-I381 HydrophobicContact CB-CG2 4.08Å; V331-I381 HydrophobicContact CG1-CG2 4.01Å; I381-L404 PolarHBondContact O-N 2.92Å; I381-V405 HydrophobicContact CB-CG1 4.09Å; I381-V405 HydrophobicContact CD1-CG1 4.22Å; I381-V405 HydrophobicContact CG1-CG1 4.49Å; I381-V405 PolarHBondContact N-O 3.36Å; I381-V405 PolarHBondContact O-N 2.98Å; I381-F407 HydrophobicContact CD1-CE1 4.38Å; I381-F407 HydrophobicContact CG1-CE1 4.48Å
382N98.4Very high93.5Very high0 Ų035.1 Ų35.10%017%0.173CC..EExtended strand (participates in β ladder)trans-120.9141.3179.3-45.9-82.4000109.4V331 V332 S334 F338 Q380 L401 L402 P403V331-N382 CarbonylContact C-O 3.56Å; V331-N382 WeakPolarHBondContact CA-O 3.47Å; V332-N382 HydrophobicContact CG2-CB 3.82Å; V332-N382 PolarHBondContact N-O 3.14Å; V332-N382 PolarHBondContact O-N 3.26Å; V332-N382 PolarHBondContact O-ND2 3.47Å; S334-N382 WeakPolarHBondContact CB-ND2 3.48Å; S334-N382 PolarHBondContact OG-ND2 2.99Å; F338-N382 WeakPolarHBondContact CE1-OD1 3.38Å; F338-N382 HydrophobicContact CZ-CB 4.32Å; F338-N382 WeakPolarHBondContact CZ-OD1 3.4Å; Q380-N382 PolarHBondContact NE2-OD1 3.36Å; N382-L401 HydrophobicContact CB-CB 4.39Å; N382-L402 CarbonylContact C-O 3.6Å; N382-L402 VanDerWaalsContact CA-O 3.31Å; N382-L402 WeakPolarHBondContact CA-O 3.42Å; N382-P403 WeakPolarHBondContact OD1-CA 3.32Å
383V97.4Very high93.4Very high1 Ų135.6 Ų35.61%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-91.7131177.5-178.30000109.2V126 L128 V131 P330 I385 L402 L404V126-V383 HydrophobicContact CG2-CB 4.28Å; V126-V383 HydrophobicContact CG2-CG1 4.01Å; V126-V383 HydrophobicContact CG2-CG2 4.32Å; L128-V383 HydrophobicContact CD2-CG1 4.41Å; L128-V383 HydrophobicContact CD2-CG2 3.54Å; V131-V383 HydrophobicContact CB-CG1 4.35Å; V131-V383 HydrophobicContact CG1-CG1 3.74Å; P330-V383 HydrophobicContact CG-CG1 4.38Å; P330-V383 WeakPolarHBondContact O-CA 3.06Å; V383-I385 HydrophobicContact CG1-CG1 4.26Å; V383-I385 PolarHBondContact O-N 2.87Å; V383-L402 PolarHBondContact N-O 2.92Å; V383-L402 PolarHBondContact O-N 3.26Å; V383-L404 HydrophobicContact CG2-CB 4.14Å; V383-L404 HydrophobicContact CG2-CD2 4.24Å
384I96.1Very high93.4Very high13 Ų1335.7 Ų35.77%0.06718%0.175CC..EExtended strand (participates in β ladder)trans-79.9113.7174.8-58.2160000108.4V131 F315 P330 V332 K386 L401V131-I384 WeakPolarHBondContact CG1-O 3.39Å; F315-I384 HydrophobicContact CE2-CD1 4.43Å; F315-I384 HydrophobicContact CZ-CD1 4.01Å; F315-I384 HydrophobicContact CZ-CG1 4.13Å; P330-I384 PolarHBondContact O-N 2.73Å; V332-I384 HydrophobicContact CG1-CD1 3.62Å; V332-I384 HydrophobicContact CG1-CG1 3.7Å; I384-K386 HydrophobicContact CG2-CG 4.11Å; I384-L401 HydrophobicContact CB-CD2 4.43Å; I384-L401 HydrophobicContact CG1-CD2 3.88Å
385I95Very high93.3Very high1 Ų139.8 Ų39.81%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-111.8127.5172.5-57.5173.3000107.5F66 V126 V131 V383 L394 L397 D399 I400 L402F66-I385 HydrophobicContact CE1-CD1 4.4Å; F66-I385 HydrophobicContact CZ-CD1 4.05Å; V126-I385 HydrophobicContact CB-CD1 4.48Å; V126-I385 HydrophobicContact CG1-CD1 3.81Å; V126-I385 HydrophobicContact CG2-CD1 4.28Å; V131-I385 HydrophobicContact CG1-CG1 4.45Å; V383-I385 HydrophobicContact CG1-CG1 4.26Å; V383-I385 PolarHBondContact O-N 2.87Å; I385-L394 HydrophobicContact CG2-CD2 4.24Å; I385-L397 HydrophobicContact CG2-CD1 3.94Å; I385-D399 WeakPolarHBondContact O-CA 3.3Å; I385-I400 HydrophobicContact CB-CG2 3.82Å; I385-I400 HydrophobicContact CD1-CG2 4.21Å; I385-I400 HydrophobicContact CG1-CG2 4.48Å; I385-I400 HydrophobicContact CG2-CG2 4.34Å; I385-I400 PolarHBondContact N-O 2.65Å; I385-I400 PolarHBondContact O-N 3.3Å; I385-L402 HydrophobicContact CD1-CB 3.85Å; I385-L402 HydrophobicContact CD1-CD2 3.7Å; I385-L402 HydrophobicContact CD1-CG 4.41Å
386K93.2Very high93.2Very high82 Ų8243.9 Ų43.936%0.35721%0.209SC..  trans-119.6138.8176.3-65-172.4179.1-176.10109.8N313 I384 N388 D399N313-K386 PolarHBondContact ND2-NZ 3.5Å; I384-K386 HydrophobicContact CG2-CG 4.11Å; K386-N388 PolarHBondContact O-N 3.22Å; K386-D399 VanDerWaalsContact CA-OD1 3.31Å; K386-D399 WeakPolarHBondContact CA-OD1 3.29Å
387K93.1Very high93.1Very high122 Ų12243.6 Ų43.653%0.5321%0.207SC..  trans-58.1130.1170.4-175.5177.5-173.1172.10109R395 L397 D399K387-R395 WeakPolarHBondContact CE-O 3.28Å; K387-L397 VanDerWaalsContact CB-O 3.26Å; K387-L397 WeakPolarHBondContact CB-O 3.41Å; K387-L397 VanDerWaalsContact CD-O 3.3Å; K387-L397 WeakPolarHBondContact CD-O 3.36Å; K387-L397 WeakPolarHBondContact CG-O 3.5Å; K387-D399 PolarHBondContact N-OD1 2.93Å
388N90.5Very high93Very high15 Ų1544.2 Ų44.28%0.0822%0.216CC..  trans-137.5111.3172.7-171.1-19.8000109.6K386 K390 I391 L394 R395K386-N388 PolarHBondContact O-N 3.22Å; N388-K390 PolarHBondContact O-N 2.93Å; N388-K390 WeakPolarHBondContact OD1-CB 3.48Å; N388-K390 PolarHBondContact OD1-N 2.97Å; N388-I391 HydrophobicContact CB-CB 4.46Å; N388-I391 HydrophobicContact CB-CD1 4.37Å; N388-I391 PolarHBondContact O-N 3.46Å; N388-I391 VanDerWaalsContact O-O 3.06Å; N388-L394 HydrophobicContact CB-CB 4.2Å; N388-L394 HydrophobicContact CB-CD1 4.34Å; N388-L394 PolarHBondContact N-O 3.34Å; N388-L394 CarbonylContact O-C 3.56Å; N388-R395 PolarHBondContact O-N 2.76Å
389P88Confident92.9Very high85 Ų8547.7 Ų47.755%0.55224%0.237SC*.THydrogen-bonded Turntrans-65.7-21.6-177.626.6-33.9000113.5R395P389-R395 PolarHBondContact O-NE 3.38Å; P389-R395 PolarHBondContact O-NH2 3.42Å
390K84.4Confident92.9Very high110 Ų11047.5 Ų47.548%0.47824%0.235SC..THydrogen-bonded Turntrans-76.4-31.2-179.7-58.8-174.3177.5-175.40113E149 N388E149-K390 HydrophobicContact CG-CB 4.44Å; E149-K390 WeakPolarHBondContact OE1-CB 3.48Å; E149-K390 VanDerWaalsContact OE1-CD 3.31Å; E149-K390 WeakPolarHBondContact OE1-CD 3.4Å; N388-K390 PolarHBondContact O-N 2.93Å; N388-K390 WeakPolarHBondContact OD1-CB 3.48Å; N388-K390 PolarHBondContact OD1-N 2.97Å
391I87Confident92.8Very high5 Ų547.9 Ų47.93%0.02624%0.237CC..SBendtrans-90.4125.1175.9-65.6170.2000108.9F130 A134 L137 E152 N388 Q393 L394 R395F130-I391 HydrophobicContact CE1-CG2 4.08Å; F130-I391 HydrophobicContact CE2-CG2 4.46Å; F130-I391 HydrophobicContact CZ-CG2 3.47Å; F130-I391 VanDerWaalsContact CZ-CG2 3.47Å; A134-I391 HydrophobicContact CB-CD1 3.51Å; L137-I391 HydrophobicContact CD1-CD1 3.28Å; L137-I391 HydrophobicContact CD1-CG1 3.71Å; L137-I391 HydrophobicContact CG-CD1 4.48Å; E152-I391 HydrophobicContact CG-CG2 4.34Å; N388-I391 HydrophobicContact CB-CB 4.46Å; N388-I391 HydrophobicContact CB-CD1 4.37Å; N388-I391 PolarHBondContact O-N 3.46Å; N388-I391 VanDerWaalsContact O-O 3.06Å; I391-Q393 HydrophobicContact CG2-CB 4.2Å; I391-Q393 PolarHBondContact O-N 3.35Å; I391-L394 HydrophobicContact CB-CB 4.2Å; I391-L394 HydrophobicContact CB-CD1 4.38Å; I391-L394 HydrophobicContact CB-CG 4.3Å; I391-L394 HydrophobicContact CD1-CD1 3.74Å; I391-L394 HydrophobicContact CG2-CB 4.2Å; I391-L394 HydrophobicContact CG2-CD1 4.29Å; I391-L394 HydrophobicContact CG2-CG 3.92Å; I391-L394 PolarHBondContact O-N 2.92Å; I391-R395 PolarHBondContact O-N 2.98Å; I391-R395 VanDerWaalsContact O-N 3.13Å
392E88.1Confident92.8Very high94 Ų9446.6 Ų46.644%0.43923%0.231SC..G310 helixtrans-58.5-47.9-178.4-170.6178.8152.400111.4E152 L394 R395E152-E392 WeakPolarHBondContact OE1-CB 3.29Å; E152-E392 PolarHBondContact OE1-N 3.25Å; E392-L394 PolarHBondContact O-N 2.95Å; E392-R395 PolarHBondContact O-N 2.88Å
393Q89.6Confident92.8Very high37 Ų3746.8 Ų46.817%0.17323%0.232CC..G310 helixtrans-64.7-16.9-179.7-64.6-59.8-59.400115.9F130 E152 Y157 L159 I391F130-Q393 HydrophobicContact CE1-CB 3.93Å; F130-Q393 HydrophobicContact CE1-CG 4.47Å; F130-Q393 HydrophobicContact CZ-CB 3.95Å; F130-Q393 HydrophobicContact CZ-CG 4.19Å; E152-Q393 WeakPolarHBondContact OE1-CG 3.47Å; E152-Q393 PolarHBondContact OE1-N 2.77Å; Y157-Q393 VanDerWaalsContact O-CD 3.3Å; Y157-Q393 WeakPolarHBondContact O-CG 3.31Å; L159-Q393 HydrophobicContact CB-CB 4.07Å; L159-Q393 VanDerWaalsContact N-OE1 3.13Å; I391-Q393 HydrophobicContact CG2-CB 4.2Å; I391-Q393 PolarHBondContact O-N 3.35Å
394L91.9Very high92.8Very high4 Ų447 Ų472%0.02123%0.233CC..G310 helixtrans-113.2-1.3-177.8-58.7-177.7000113.1F130 A134 L159 I385 N388 I391 E392 N396 L397F130-L394 HydrophobicContact CE1-CD1 4.49Å; F130-L394 HydrophobicContact CE1-CD2 4.4Å; F130-L394 HydrophobicContact CE1-CG 4.22Å; A134-L394 HydrophobicContact CB-CD1 3.51Å; L159-L394 HydrophobicContact CD1-CD2 3.95Å; L159-L394 HydrophobicContact CD2-CD2 3.98Å; I385-L394 HydrophobicContact CG2-CD2 4.24Å; N388-L394 HydrophobicContact CB-CB 4.2Å; N388-L394 HydrophobicContact CB-CD1 4.34Å; N388-L394 PolarHBondContact N-O 3.34Å; N388-L394 CarbonylContact O-C 3.56Å; I391-L394 HydrophobicContact CB-CB 4.2Å; I391-L394 HydrophobicContact CB-CD1 4.38Å; I391-L394 HydrophobicContact CB-CG 4.3Å; I391-L394 HydrophobicContact CD1-CD1 3.74Å; I391-L394 HydrophobicContact CG2-CB 4.2Å; I391-L394 HydrophobicContact CG2-CD1 4.29Å; I391-L394 HydrophobicContact CG2-CG 3.92Å; I391-L394 PolarHBondContact O-N 2.92Å; E392-L394 PolarHBondContact O-N 2.95Å; L394-N396 VanDerWaalsContact C-N 3.34Å; L394-N396 PolarHBondContact O-N 3.08Å; L394-L397 HydrophobicContact CD2-CD1 3.68Å; L394-L397 PolarHBondContact O-N 2.94Å
395R91.2Very high92.9Very high118 Ų11846.4 Ų46.445%0.44523%0.23SC..SBendtrans-65-36.9-173-176.9179.1-61.5155.28.7113.1K387 N388 P389 I391 E392K387-R395 WeakPolarHBondContact CE-O 3.28Å; N388-R395 PolarHBondContact O-N 2.76Å; P389-R395 PolarHBondContact O-NE 3.38Å; P389-R395 PolarHBondContact O-NH2 3.42Å; I391-R395 PolarHBondContact O-N 2.98Å; I391-R395 VanDerWaalsContact O-N 3.13Å; E392-R395 PolarHBondContact O-N 2.88Å
396N93Very high93.1Very high90 Ų9046.8 Ų46.848%0.48123%0.232SC..SBendtrans-95.4-7.2-174.5-65-17.5000113.4G69 L394G69-N396 VanDerWaalsContact CA-O 3.31Å; G69-N396 WeakPolarHBondContact CA-O 3.16Å; L394-N396 VanDerWaalsContact C-N 3.34Å; L394-N396 PolarHBondContact O-N 3.08Å
397L93.5Very high93.3Very high4 Ų444.8 Ų44.82%0.02122%0.223CC..PPolyproline II helixtrans-78.6156.2-178.1-64.1178.7000112.1F66 L159 I385 K387 L394F66-L397 HydrophobicContact CD2-CD2 4.31Å; F66-L397 HydrophobicContact CE1-CD2 4.49Å; F66-L397 HydrophobicContact CE2-CD2 4.08Å; F66-L397 HydrophobicContact CZ-CD2 4.18Å; F66-L397 WeakPolarHBondContact O-CD2 3.38Å; L159-L397 HydrophobicContact CD2-CD1 3.33Å; I385-L397 HydrophobicContact CG2-CD1 3.94Å; K387-L397 VanDerWaalsContact CB-O 3.26Å; K387-L397 WeakPolarHBondContact CB-O 3.41Å; K387-L397 VanDerWaalsContact CD-O 3.3Å; K387-L397 WeakPolarHBondContact CD-O 3.36Å; K387-L397 WeakPolarHBondContact CG-O 3.5Å; L394-L397 HydrophobicContact CD2-CD1 3.68Å; L394-L397 PolarHBondContact O-N 2.94Å
398S92.6Very high93.5Very high70 Ų7039.6 Ų39.649%0.4920%0.201SC..PPolyproline II helixtrans-91.4159.1162.751.20000110.7I400S398-I400 PolarHBondContact O-N 2.95Å
399D94.3Very high93.8Very high103 Ų10340.3 Ų40.355%0.55120%0.204SC*.PPolyproline II helixtrans-64.4124.9169.1-69.92.4000109.1I385 K386 K387I385-D399 WeakPolarHBondContact O-CA 3.3Å; K386-D399 VanDerWaalsContact CA-OD1 3.31Å; K386-D399 WeakPolarHBondContact CA-OD1 3.29Å; K387-D399 PolarHBondContact N-OD1 2.93Å
400I96.3Very high94.1Very high12 Ų1236.4 Ų36.46%0.06218%0.178CC..EExtended strand (participates in β ladder)trans-150.5144.9-174.1-169.5165.1000111.5F66 P72 A348 I349 I385 S398F66-I400 HydrophobicContact CE2-CG2 4.49Å; F66-I400 HydrophobicContact CZ-CG2 4.37Å; P72-I400 HydrophobicContact CG-CD1 3.65Å; A348-I400 HydrophobicContact CB-CD1 4.02Å; A348-I400 HydrophobicContact CB-CG1 4.17Å; I349-I400 HydrophobicContact CG1-CD1 3.84Å; I349-I400 HydrophobicContact CG1-CG1 4.41Å; I385-I400 HydrophobicContact CB-CG2 3.82Å; I385-I400 HydrophobicContact CD1-CG2 4.21Å; I385-I400 HydrophobicContact CG1-CG2 4.48Å; I385-I400 HydrophobicContact CG2-CG2 4.34Å; I385-I400 PolarHBondContact N-O 2.65Å; I385-I400 PolarHBondContact O-N 3.3Å; S398-I400 PolarHBondContact O-N 2.95Å
401L97.5Very high94.5Very high8 Ų832.5 Ų32.54%0.04216%0.164CC..EExtended strand (participates in β ladder)trans-95.1102.2166.6-63.4-176.2000108.1F315 V319 V332 F338 Y345 I349 N382 I384 P403F315-L401 HydrophobicContact CD1-CD1 4.27Å; F315-L401 HydrophobicContact CD1-CD2 4.45Å; F315-L401 HydrophobicContact CE1-CD1 4.37Å; F315-L401 HydrophobicContact CE1-CD2 3.74Å; F315-L401 HydrophobicContact CE1-CG 4.43Å; F315-L401 HydrophobicContact CZ-CD2 4.31Å; V319-L401 HydrophobicContact CB-CD1 4.48Å; V319-L401 HydrophobicContact CG1-CD1 3.91Å; V319-L401 HydrophobicContact CG2-CD1 4.25Å; V332-L401 HydrophobicContact CG1-CD2 4.42Å; V332-L401 HydrophobicContact CG2-CD1 3.82Å; V332-L401 HydrophobicContact CG2-CD2 3.73Å; V332-L401 HydrophobicContact CG2-CG 4.25Å; F338-L401 HydrophobicContact CE1-CB 4.38Å; F338-L401 HydrophobicContact CZ-CB 4.03Å; F338-L401 WeakPolarHBondContact CZ-O 3.41Å; Y345-L401 HydrophobicContact CD1-CD1 3.6Å; Y345-L401 HydrophobicContact CD1-CG 4.1Å; Y345-L401 HydrophobicContact CD2-CD1 4.45Å; Y345-L401 HydrophobicContact CE1-CD1 3.43Å; Y345-L401 VanDerWaalsContact CE1-CD1 3.43Å; Y345-L401 HydrophobicContact CE1-CG 4.04Å; Y345-L401 HydrophobicContact CE2-CD1 4.29Å; Y345-L401 HydrophobicContact CG-CD1 4.13Å; I349-L401 WeakPolarHBondContact CD1-O 3.37Å; N382-L401 HydrophobicContact CB-CB 4.39Å; I384-L401 HydrophobicContact CB-CD2 4.43Å; I384-L401 HydrophobicContact CG1-CD2 3.88Å; L401-P403 WeakPolarHBondContact O-CD 3.29Å
402L97.8Very high94.6Very high5 Ų537 Ų373%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-92.3114.7-174-17369000110.9I60 F66 P72 L74 V126 N382 V383 I385 L404I60-L402 HydrophobicContact CD1-CD2 4.01Å; F66-L402 HydrophobicContact CE1-CD2 4.32Å; F66-L402 HydrophobicContact CZ-CD2 4.42Å; P72-L402 HydrophobicContact CB-CD1 3.88Å; P72-L402 HydrophobicContact CG-CD1 3.76Å; L74-L402 HydrophobicContact CD1-CD1 4.34Å; L74-L402 HydrophobicContact CD2-CD1 4.22Å; V126-L402 HydrophobicContact CB-CD2 4.43Å; V126-L402 HydrophobicContact CG1-CD2 3.54Å; V126-L402 HydrophobicContact CG2-CD2 4.05Å; N382-L402 CarbonylContact C-O 3.6Å; N382-L402 VanDerWaalsContact CA-O 3.31Å; N382-L402 WeakPolarHBondContact CA-O 3.42Å; V383-L402 PolarHBondContact N-O 2.92Å; V383-L402 PolarHBondContact O-N 3.26Å; I385-L402 HydrophobicContact CD1-CB 3.85Å; I385-L402 HydrophobicContact CD1-CD2 3.7Å; I385-L402 HydrophobicContact CD1-CG 4.41Å; L402-L404 PolarHBondContact O-N 3.4Å
403P98.3Very high94.5Very high3 Ų333.6 Ų33.62%0.01917%0.166CC..EExtended strand (participates in β ladder)trans-55.6130.2173.6-26.734.4000111.4F58 L74 F338 I349 I352 N382 L401F58-P403 HydrophobicContact CB-CB 4.37Å; F58-P403 HydrophobicContact CD1-CB 4.45Å; F58-P403 HydrophobicContact CD2-CB 3.4Å; F58-P403 VanDerWaalsContact CD2-CB 3.4Å; F58-P403 HydrophobicContact CE2-CB 3.66Å; F58-P403 HydrophobicContact CG-CB 3.83Å; F58-P403 HydrophobicContact CZ-CB 4.29Å; L74-P403 HydrophobicContact CD1-CB 3.98Å; L74-P403 HydrophobicContact CD1-CG 3.93Å; F338-P403 HydrophobicContact CD2-CG 4.41Å; F338-P403 HydrophobicContact CE2-CG 3.49Å; F338-P403 VanDerWaalsContact CE2-CG 3.49Å; F338-P403 HydrophobicContact CZ-CG 3.93Å; I349-P403 HydrophobicContact CD1-CG 3.85Å; I352-P403 HydrophobicContact CD1-CG 4.15Å; N382-P403 WeakPolarHBondContact OD1-CA 3.32Å; L401-P403 WeakPolarHBondContact O-CD 3.29Å
404L97.9Very high94.3Very high5 Ų535.5 Ų35.53%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-104.3-50.9175.1175.362.3000110.6F58 H125 L128 L194 I381 V383 L402F58-L404 PolarHBondContact N-O 3.5Å; H125-L404 HydrophobicContact CB-CD1 4.11Å; L128-L404 HydrophobicContact CD1-CD2 4.03Å; L128-L404 HydrophobicContact CD2-CD2 4.1Å; L194-L404 HydrophobicContact CD2-CD2 3.96Å; I381-L404 PolarHBondContact O-N 2.92Å; V383-L404 HydrophobicContact CG2-CB 4.14Å; V383-L404 HydrophobicContact CG2-CD2 4.24Å; L402-L404 PolarHBondContact O-N 3.4Å
405V98.3Very high94.1Very high1 Ų139.6 Ų39.61%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-156.5144.6-177630000109.3F55 Y56 F57 L194 Q380 I381F55-V405 HydrophobicContact CB-CG2 4.15Å; F55-V405 HydrophobicContact CD1-CG2 4.05Å; Y56-V405 VanDerWaalsContact O-CA 3.31Å; Y56-V405 WeakPolarHBondContact O-CA 3.11Å; Y56-V405 WeakPolarHBondContact O-CG2 3.26Å; F57-V405 HydrophobicContact CD1-CB 3.91Å; F57-V405 HydrophobicContact CD1-CG2 4.06Å; F57-V405 HydrophobicContact CD2-CG2 4.05Å; F57-V405 HydrophobicContact CE1-CB 3.98Å; F57-V405 HydrophobicContact CE1-CG2 4.03Å; F57-V405 HydrophobicContact CE2-CG2 4.03Å; F57-V405 HydrophobicContact CG-CB 4.32Å; F57-V405 HydrophobicContact CG-CG2 4.09Å; F57-V405 HydrophobicContact CZ-CB 4.45Å; F57-V405 HydrophobicContact CZ-CG2 4.02Å; L194-V405 HydrophobicContact CD1-CB 4.47Å; L194-V405 HydrophobicContact CD1-CG1 3.69Å; L194-V405 HydrophobicContact CD2-CG1 4.24Å; Q380-V405 WeakPolarHBondContact CA-O 3.27Å; I381-V405 HydrophobicContact CB-CG1 4.09Å; I381-V405 HydrophobicContact CD1-CG1 4.22Å; I381-V405 HydrophobicContact CG1-CG1 4.49Å; I381-V405 PolarHBondContact N-O 3.36Å; I381-V405 PolarHBondContact O-N 2.98Å
406Y97.9Very high93.9Very high10 Ų1038.4 Ų38.44%0.03920%0.204CC..EExtended strand (participates in β ladder)trans-115.3152.3155.382.8-92.4000109.9Y56 F58 Q76 P336 Y359 L379Y56-Y406 VanDerWaalsContact CB-CZ 3.44Å; Y56-Y406 HydrophobicContact CD1-CE1 4.24Å; Y56-Y406 AromaticContact CD1-CZ 3.83Å; Y56-Y406 VanDerWaalsContact CD1-OH 3.29Å; Y56-Y406 WeakPolarHBondContact CD1-OH 2.89Å; Y56-Y406 AromaticContact CD2-CD2 3.9Å; Y56-Y406 HydrophobicContact CD2-CD2 3.9Å; Y56-Y406 AromaticContact CD2-CE1 3.98Å; Y56-Y406 HydrophobicContact CD2-CE1 3.98Å; Y56-Y406 AromaticContact CD2-CE2 3.23Å; Y56-Y406 HydrophobicContact CD2-CE2 3.23Å; Y56-Y406 HydrophobicContact CD2-CG 4.49Å; Y56-Y406 AromaticContact CD2-CZ 3.27Å; Y56-Y406 WeakPolarHBondContact CD2-OH 3.39Å; Y56-Y406 WeakPolarHBondContact CE1-OH 3.31Å; Y56-Y406 AromaticContact CE2-CE2 3.68Å; Y56-Y406 HydrophobicContact CE2-CE2 3.68Å; Y56-Y406 AromaticContact CE2-CZ 3.86Å; Y56-Y406 HydrophobicContact CG-CD1 4.3Å; Y56-Y406 HydrophobicContact CG-CD2 4.45Å; Y56-Y406 AromaticContact CG-CE1 3.58Å; Y56-Y406 HydrophobicContact CG-CE1 3.58Å; Y56-Y406 AromaticContact CG-CE2 3.75Å; Y56-Y406 HydrophobicContact CG-CE2 3.75Å; Y56-Y406 AromaticContact CG-CZ 3.24Å; Y56-Y406 VanDerWaalsContact CG-OH 3.22Å; Y56-Y406 PolarHBondContact N-O 3.28Å; Y56-Y406 PolarHBondContact O-N 3.13Å; F58-Y406 AromaticContact CE2-CD1 3.92Å; F58-Y406 HydrophobicContact CE2-CD1 3.92Å; F58-Y406 AromaticContact CZ-CD1 3.83Å; F58-Y406 HydrophobicContact CZ-CD1 3.83Å; F58-Y406 HydrophobicContact CZ-CE1 4.36Å; Q76-Y406 HydrophobicContact CG-CE1 4.3Å; Q76-Y406 PolarHBondContact NE2-OH 2.88Å; P336-Y406 HydrophobicContact CB-CD1 4.22Å; P336-Y406 HydrophobicContact CB-CD2 3.86Å; P336-Y406 HydrophobicContact CB-CE2 4.39Å; P336-Y406 HydrophobicContact CB-CG 3.77Å; P336-Y406 HydrophobicContact CG-CD2 3.83Å; P336-Y406 HydrophobicContact CG-CE2 4.48Å; P336-Y406 HydrophobicContact CG-CG 4.12Å; Y359-Y406 HydrophobicContact CE1-CE1 4.42Å; L379-Y406 CarbonylContact O-C 3.59Å; L379-Y406 VanDerWaalsContact O-CA 3.22Å; L379-Y406 WeakPolarHBondContact O-CA 3.26Å; L379-Y406 VanDerWaalsContact O-CB 3.32Å; L379-Y406 WeakPolarHBondContact O-CB 3.39Å
407F97.5Very high93.6Very high40 Ų4037 Ų3718%0.17520%0.195CC..EExtended strand (participates in β ladder)trans-122.1147.9176.659-90000110.8I53 Q54 F55 K378 L379 I381I53-F407 HydrophobicContact CD1-CB 4.4Å; I53-F407 HydrophobicContact CD1-CD2 4.2Å; I53-F407 HydrophobicContact CG1-CB 4.3Å; Q54-F407 CarbonylContact O-C 3.51Å; Q54-F407 WeakPolarHBondContact O-CA 3.27Å; F55-F407 HydrophobicContact CD1-CB 3.81Å; F55-F407 HydrophobicContact CE1-CB 3.88Å; K378-F407 WeakPolarHBondContact CA-O 3.46Å; L379-F407 HydrophobicContact CB-CE1 3.9Å; L379-F407 HydrophobicContact CB-CE2 4.07Å; L379-F407 HydrophobicContact CB-CZ 3.59Å; L379-F407 HydrophobicContact CD1-CE2 4.31Å; L379-F407 HydrophobicContact CD1-CZ 3.91Å; L379-F407 HydrophobicContact CG-CZ 4.32Å; L379-F407 PolarHBondContact N-O 2.87Å; L379-F407 WeakPolarHBondContact O-CD1 3.24Å; L379-F407 PolarHBondContact O-N 3.38Å; I381-F407 HydrophobicContact CD1-CE1 4.38Å; I381-F407 HydrophobicContact CG1-CE1 4.48Å
408N97.6Very high93.4Very high12 Ų1237 Ų376%0.06420%0.196CC..EExtended strand (participates in β ladder)trans-120.9104.3173.5175.831.7000107.8Q54 Y56 S376 I377 K378 T410Q54-N408 HydrophobicContact CB-CB 4.34Å; Q54-N408 PolarHBondContact N-O 2.94Å; Q54-N408 PolarHBondContact O-N 3.32Å; Q54-N408 PolarHBondContact OE1-ND2 3.35Å; Q54-N408 VanDerWaalsContact OE1-ND2 3.07Å; Y56-N408 HydrophobicContact CE2-CB 4.18Å; S376-N408 PolarHBondContact OG-OD1 3.33Å; I377-N408 CarbonylContact O-C 3.58Å; I377-N408 WeakPolarHBondContact O-CA 3.42Å; K378-N408 WeakPolarHBondContact CE-OD1 3.35Å; K378-N408 HydrophobicContact CG-CB 4.07Å; K378-N408 WeakPolarHBondContact CG-OD1 3.4Å; N408-T410 WeakPolarHBondContact ND2-CG2 3.43Å; N408-T410 WeakPolarHBondContact OD1-CG2 3.34Å
409E96.4Very high93.3Very high30 Ų3037.5 Ų37.514%0.1419%0.193CC..EExtended strand (participates in β ladder)trans-89.4123.6171.1-170.2-170.714100108.7I51 M52 R86 S376 I377I51-E409 HydrophobicContact CG2-CG 3.99Å; M52-E409 CarbonylContact O-C 3.54Å; M52-E409 WeakPolarHBondContact O-CA 3.5Å; R86-E409 IonicContact CZ-OE1 2.87Å; R86-E409 IonicContact NH1-OE1 3.44Å; R86-E409 PolarHBondContact NH1-OE1 2.88Å; R86-E409 IonicContact NH2-OE1 3.02Å; R86-E409 PolarHBondContact NH2-OE1 2.9Å; R86-E409 IonicContact NH2-OE2 3.65Å; R86-E409 PolarHBondContact NH2-OE2 3Å; S376-E409 CarbonylContact C-O 3.46Å; S376-E409 WeakPolarHBondContact CA-O 3.3Å; I377-E409 HydrophobicContact CB-CB 4.39Å; I377-E409 PolarHBondContact N-O 3.37Å; I377-E409 PolarHBondContact O-N 3.48Å
410T95.7Very high92.9Very high3 Ų338.9 Ų38.92%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-123.9142.9-176.256.50000112I51 M52 A375 N408 Y412I51-T410 WeakPolarHBondContact CA-O 3.37Å; M52-T410 PolarHBondContact N-O 3.27Å; M52-T410 PolarHBondContact O-N 2.89Å; M52-T410 PolarHBondContact O-OG1 3.17Å; A375-T410 VanDerWaalsContact O-CA 3.22Å; A375-T410 WeakPolarHBondContact O-CA 3.4Å; N408-T410 WeakPolarHBondContact ND2-CG2 3.43Å; N408-T410 WeakPolarHBondContact OD1-CG2 3.34Å; T410-Y412 HydrophobicContact CG2-CE2 4.04Å
411V92.8Very high92.5Very high28 Ų2839.8 Ų39.817%0.1720%0.2CC..EExtended strand (participates in β ladder)trans-135.5130.6167.7580000108.1L49 I51 I372 N374 A375L49-V411 HydrophobicContact CB-CG2 4Å; L49-V411 HydrophobicContact CD1-CG2 4.09Å; I51-V411 HydrophobicContact CG1-CB 4.44Å; I51-V411 HydrophobicContact CG1-CG2 4.35Å; I372-V411 HydrophobicContact CG2-CG1 4.23Å; N374-V411 CarbonylContact C-O 3.6Å; N374-V411 WeakPolarHBondContact CA-O 3.4Å; A375-V411 HydrophobicContact CB-CG1 3.79Å; A375-V411 PolarHBondContact N-O 3.45Å; A375-V411 PolarHBondContact O-N 3.44Å
412Y89Confident92.2Very high101 Ų10139.9 Ų39.940%0.39620%0.201SC..EExtended strand (participates in β ladder)trans-123.9127178.1-63.8-83.5000109.1M52 N374 T410M52-Y412 HydrophobicContact CE-CD2 4.26Å; M52-Y412 HydrophobicContact CE-CE2 4.33Å; N374-Y412 HydrophobicContact CB-CD1 4.28Å; N374-Y412 VanDerWaalsContact CG-CE1 3.42Å; N374-Y412 WeakPolarHBondContact ND2-CE1 3.43Å; N374-Y412 WeakPolarHBondContact OD1-CD1 3.48Å; N374-Y412 WeakPolarHBondContact OD1-CE1 3.49Å; T410-Y412 HydrophobicContact CG2-CE2 4.04Å
413L85.8Confident91.8Very high21 Ų2145.1 Ų45.111%0.1122%0.224CC..  trans-71.1131.3169.7-134.2100000109L49 I372 I373 I417 I418 L421L49-L413 HydrophobicContact CD1-CD1 3.51Å; L49-L413 HydrophobicContact CD1-CG 4.25Å; L49-L413 HydrophobicContact CD2-CD1 4.29Å; L49-L413 HydrophobicContact CD2-CG 4.13Å; I372-L413 VanDerWaalsContact O-CD1 3.25Å; I372-L413 WeakPolarHBondContact O-CD1 3.27Å; I373-L413 HydrophobicContact CD1-CD2 4.28Å; I373-L413 VanDerWaalsContact O-CB 3.31Å; I373-L413 WeakPolarHBondContact O-CB 3.13Å; I373-L413 PolarHBondContact O-N 2.9Å; L413-I417 HydrophobicContact CD2-CB 3.81Å; L413-I417 HydrophobicContact CD2-CG2 3.41Å; L413-I417 VanDerWaalsContact CD2-CG2 3.41Å; L413-I417 HydrophobicContact CG-CB 4.39Å; L413-I417 HydrophobicContact CG-CG2 4.19Å; L413-I418 HydrophobicContact CB-CD1 4.12Å; L413-I418 HydrophobicContact CB-CG1 3.85Å; L413-I418 HydrophobicContact CD2-CG1 3.84Å; L413-I418 HydrophobicContact CG-CG1 4.47Å; L413-I418 WeakPolarHBondContact O-CD1 3.42Å; L413-L421 HydrophobicContact CD2-CD1 3.58Å
414N85.3Confident91.3Very high78 Ų7848.5 Ų48.542%0.41724%0.244SC..  trans-63142.5179.2-67.6-21.3000111.1P416 I417 I418N414-P416 VanDerWaalsContact C-N 3.34Å; N414-I417 HydrophobicContact CB-CD1 4.19Å; N414-I417 HydrophobicContact CB-CG1 4.3Å; N414-I417 WeakPolarHBondContact O-CA 3.32Å; N414-I417 WeakPolarHBondContact O-CB 3.23Å; N414-I417 PolarHBondContact O-N 3.3Å; N414-I418 PolarHBondContact O-N 3.35Å; N414-I418 VanDerWaalsContact O-N 3.11Å
415Q87.7Confident90.8Very high90 Ų9049 Ų4942%0.42125%0.247SC..Hα-helixtrans-50.3-42.2-178.5-166.260.740.700115S281 I417 I418 N419S281-Q415 PolarHBondContact OG-NE2 3.25Å; S281-Q415 PolarHBondContact OG-OE1 3.49Å; Q415-I417 VanDerWaalsContact C-N 3.28Å; Q415-I417 PolarHBondContact O-N 2.93Å; Q415-I418 PolarHBondContact O-N 3.03Å; Q415-N419 PolarHBondContact NE2-OD1 3.46Å; Q415-N419 VanDerWaalsContact NE2-OD1 3.08Å; Q415-N419 VanDerWaalsContact O-CG 3.22Å; Q415-N419 PolarHBondContact O-N 3.22Å; Q415-N419 PolarHBondContact O-OD1 3.45Å
416P87.6Confident90.5Very high93 Ų9351 Ų5160%0.60426%0.257SS*.Hα-helixtrans-62-36177-23.135.5000113N414 N419 Q420N414-P416 VanDerWaalsContact C-N 3.34Å; P416-N419 PolarHBondContact O-N 2.85Å; P416-Q420 WeakPolarHBondContact O-CB 3.46Å; P416-Q420 PolarHBondContact O-N 3.38Å
417I85.7Confident90.2Very high59 Ų5954.7 Ų54.730%0.30327%0.274SS..Hα-helixtrans-71-42.2178.9-53.4176.9000109.5L49 L413 N414 Q415 N419 Q420 L421L49-I417 HydrophobicContact CD2-CD1 4.16Å; L413-I417 HydrophobicContact CD2-CB 3.81Å; L413-I417 HydrophobicContact CD2-CG2 3.41Å; L413-I417 VanDerWaalsContact CD2-CG2 3.41Å; L413-I417 HydrophobicContact CG-CB 4.39Å; L413-I417 HydrophobicContact CG-CG2 4.19Å; N414-I417 HydrophobicContact CB-CD1 4.19Å; N414-I417 HydrophobicContact CB-CG1 4.3Å; N414-I417 WeakPolarHBondContact O-CA 3.32Å; N414-I417 WeakPolarHBondContact O-CB 3.23Å; N414-I417 PolarHBondContact O-N 3.3Å; Q415-I417 VanDerWaalsContact C-N 3.28Å; Q415-I417 PolarHBondContact O-N 2.93Å; I417-N419 VanDerWaalsContact C-N 3.32Å; I417-N419 PolarHBondContact O-N 2.92Å; I417-Q420 WeakPolarHBondContact O-CB 3.2Å; I417-Q420 PolarHBondContact O-N 3.31Å; I417-L421 HydrophobicContact CG2-CD1 4.47Å; I417-L421 WeakPolarHBondContact O-CG 3.33Å; I417-L421 PolarHBondContact O-N 3.45Å
418I89Confident89.9Confident6 Ų656.2 Ų56.23%0.03128%0.284CS..Hα-helixtrans-60.3-44.3175-59.7177.3000110.5I280 L283 I373 L413 N414 Q415 Q420 L421 N422I280-I418 HydrophobicContact CG2-CD1 4.06Å; L283-I418 HydrophobicContact CB-CG2 4.15Å; L283-I418 HydrophobicContact CD2-CG2 4.12Å; I373-I418 HydrophobicContact CG2-CD1 3.77Å; I373-I418 HydrophobicContact CG2-CG1 4.12Å; L413-I418 HydrophobicContact CB-CD1 4.12Å; L413-I418 HydrophobicContact CB-CG1 3.85Å; L413-I418 HydrophobicContact CD2-CG1 3.84Å; L413-I418 HydrophobicContact CG-CG1 4.47Å; L413-I418 WeakPolarHBondContact O-CD1 3.42Å; N414-I418 PolarHBondContact O-N 3.35Å; N414-I418 VanDerWaalsContact O-N 3.11Å; Q415-I418 PolarHBondContact O-N 3.03Å; I418-Q420 VanDerWaalsContact C-N 3.32Å; I418-Q420 PolarHBondContact O-N 3.3Å; I418-L421 PolarHBondContact O-N 3.47Å; I418-N422 WeakPolarHBondContact O-CB 3.29Å; I418-N422 PolarHBondContact O-N 2.87Å
419N90.2Very high89.6Confident80 Ų8056.5 Ų56.543%0.42829%0.286SS..Hα-helixtrans-63.4-39.4177.3-68.3-10.7000111.7Q415 P416 I417 N422 K423Q415-N419 PolarHBondContact NE2-OD1 3.46Å; Q415-N419 VanDerWaalsContact NE2-OD1 3.08Å; Q415-N419 VanDerWaalsContact O-CG 3.22Å; Q415-N419 PolarHBondContact O-N 3.22Å; Q415-N419 PolarHBondContact O-OD1 3.45Å; P416-N419 PolarHBondContact O-N 2.85Å; I417-N419 VanDerWaalsContact C-N 3.32Å; I417-N419 PolarHBondContact O-N 2.92Å; N419-N422 PolarHBondContact O-N 2.95Å; N419-K423 WeakPolarHBondContact O-CB 3.37Å; N419-K423 PolarHBondContact O-N 3.27Å
420Q87.5Confident89.4Confident132 Ų13259.8 Ų59.862%0.61730%0.303SS*.Hα-helixtrans-64.5-43.6174.6-176.7176.9-600111.7P416 I417 I418 K423 V424P416-Q420 WeakPolarHBondContact O-CB 3.46Å; P416-Q420 PolarHBondContact O-N 3.38Å; I417-Q420 WeakPolarHBondContact O-CB 3.2Å; I417-Q420 PolarHBondContact O-N 3.31Å; I418-Q420 VanDerWaalsContact C-N 3.32Å; I418-Q420 PolarHBondContact O-N 3.3Å; Q420-K423 WeakPolarHBondContact O-CB 3.48Å; Q420-K423 PolarHBondContact O-N 2.94Å; Q420-V424 WeakPolarHBondContact O-CG2 3.29Å; Q420-V424 PolarHBondContact O-N 3.49Å
421L88Confident89.3Confident30 Ų3064.1 Ų64.116%0.15733%0.325CS..Hα-helixtrans-59.9-49.2175-75.2172.7000111.1L283 L371 I373 L413 I417 I418 K423 V424 L425L283-L421 HydrophobicContact CD2-CB 4.26Å; L283-L421 HydrophobicContact CD2-CD1 4.44Å; L371-L421 HydrophobicContact CD1-CD1 4.25Å; L371-L421 HydrophobicContact CD1-CD2 3.97Å; I373-L421 HydrophobicContact CD1-CD1 3.94Å; L413-L421 HydrophobicContact CD2-CD1 3.58Å; I417-L421 HydrophobicContact CG2-CD1 4.47Å; I417-L421 WeakPolarHBondContact O-CG 3.33Å; I417-L421 PolarHBondContact O-N 3.45Å; I418-L421 PolarHBondContact O-N 3.47Å; L421-K423 VanDerWaalsContact C-N 3.28Å; L421-K423 PolarHBondContact O-N 2.94Å; L421-V424 PolarHBondContact O-N 3.26Å; L421-L425 HydrophobicContact CB-CD1 4.39Å; L421-L425 HydrophobicContact CD2-CD1 4.45Å; L421-L425 VanDerWaalsContact O-CB 3.29Å; L421-L425 WeakPolarHBondContact O-CB 3.42Å; L421-L425 VanDerWaalsContact O-CG 3.32Å; L421-L425 WeakPolarHBondContact O-CG 3.3Å; L421-L425 PolarHBondContact O-N 3.43Å
422N90.4Very high89.3Confident10 Ų1066.1 Ų66.15%0.05333%0.334CS..Hα-helixtrans-58.2-42.2176.6-174.24.3000111.6S281 N282 L283 I418 N419 V424 I426 Q427S281-N422 PolarHBondContact O-ND2 3.38Å; N282-N422 WeakPolarHBondContact CB-ND2 3.48Å; L283-N422 HydrophobicContact CD1-CB 4.31Å; I418-N422 WeakPolarHBondContact O-CB 3.29Å; I418-N422 PolarHBondContact O-N 2.87Å; N419-N422 PolarHBondContact O-N 2.95Å; N422-V424 PolarHBondContact O-N 3.42Å; N422-I426 WeakPolarHBondContact O-CA 3.47Å; N422-I426 WeakPolarHBondContact O-CB 3.25Å; N422-I426 PolarHBondContact O-N 2.73Å; N422-Q427 PolarHBondContact O-N 2.93Å; N422-Q427 VanDerWaalsContact O-N 3.08Å
423K90.3Very high89.5Confident115 Ų11566.1 Ų66.150%0.534%0.338SS..Iπ-helixtrans-60.3-47176.7-173.7175.9-179.4179.90112.3N419 Q420 L421 Q427 I428N419-K423 WeakPolarHBondContact O-CB 3.37Å; N419-K423 PolarHBondContact O-N 3.27Å; Q420-K423 WeakPolarHBondContact O-CB 3.48Å; Q420-K423 PolarHBondContact O-N 2.94Å; L421-K423 VanDerWaalsContact C-N 3.28Å; L421-K423 PolarHBondContact O-N 2.94Å; K423-Q427 PolarHBondContact O-N 2.89Å; K423-I428 HydrophobicContact CG-CD1 4.01Å; K423-I428 HydrophobicContact CG-CG1 4.14Å; K423-I428 WeakPolarHBondContact O-CB 3.29Å; K423-I428 WeakPolarHBondContact O-CG1 3.46Å; K423-I428 PolarHBondContact O-N 2.91Å
424V87.4Confident90Very high74 Ų7469.7 Ų69.745%0.44836%0.356SS..Iπ-helixtrans-73-43.7-177.3172.60000112Q420 L421 N422 P429Q420-V424 WeakPolarHBondContact O-CG2 3.29Å; Q420-V424 PolarHBondContact O-N 3.49Å; L421-V424 PolarHBondContact O-N 3.26Å; N422-V424 PolarHBondContact O-N 3.42Å; V424-P429 VanDerWaalsContact O-CD 3.26Å; V424-P429 WeakPolarHBondContact O-CD 3.28Å
425L87.8Confident90.4Very high16 Ų1670.4 Ų70.48%0.08436%0.358CS..Iπ-helixtrans-82.1-29.9-173.1-64.5173.2000113.2L28 L283 E366 T369 L421L28-L425 HydrophobicContact CD1-CD2 3.95Å; L28-L425 HydrophobicContact CD2-CD2 3.69Å; L28-L425 HydrophobicContact CG-CD2 4.49Å; L283-L425 HydrophobicContact CD1-CD1 4.23Å; E366-L425 HydrophobicContact CG-CD1 4.11Å; T369-L425 HydrophobicContact CG2-CD1 3.71Å; T369-L425 HydrophobicContact CG2-CD2 3.67Å; T369-L425 HydrophobicContact CG2-CG 4.31Å; L421-L425 HydrophobicContact CB-CD1 4.39Å; L421-L425 HydrophobicContact CD2-CD1 4.45Å; L421-L425 VanDerWaalsContact O-CB 3.29Å; L421-L425 WeakPolarHBondContact O-CB 3.42Å; L421-L425 VanDerWaalsContact O-CG 3.32Å; L421-L425 WeakPolarHBondContact O-CG 3.3Å; L421-L425 PolarHBondContact O-N 3.43Å
426I90.3Very high90.7Very high42 Ų4266.9 Ų66.922%0.21534%0.342CS..Iπ-helixtrans-124.5-59-169.4-53.5-179.1000111.1L283 P284 N422 P429 M430L283-I426 HydrophobicContact CD1-CD1 4.27Å; P284-I426 HydrophobicContact CG-CD1 3.9Å; N422-I426 WeakPolarHBondContact O-CA 3.47Å; N422-I426 WeakPolarHBondContact O-CB 3.25Å; N422-I426 PolarHBondContact O-N 2.73Å; I426-P429 WeakPolarHBondContact O-CD 3.41Å; I426-M430 HydrophobicContact CG2-CE 3.88Å; I426-M430 WeakPolarHBondContact O-CB 3.31Å; I426-M430 PolarHBondContact O-N 3.5Å
427Q91.5Very high91Very high88 Ų8866.1 Ų66.141%0.41133%0.332SS..Iπ-helixtrans-65.5-48.7-168.9-57.5177.5-15.700112.3N422 K423 M430 I431N422-Q427 PolarHBondContact O-N 2.93Å; N422-Q427 VanDerWaalsContact O-N 3.08Å; K423-Q427 PolarHBondContact O-N 2.89Å; Q427-M430 PolarHBondContact O-N 3.32Å; Q427-I431 WeakPolarHBondContact O-CB 3.45Å; Q427-I431 WeakPolarHBondContact O-CD1 3.44Å; Q427-I431 WeakPolarHBondContact O-CG1 3.33Å; Q427-I431 PolarHBondContact O-N 3.46Å
428I91.4Very high91.5Very high72 Ų7268.9 Ų68.937%0.36935%0.345SS..Hα-helixtrans-63-52-179.4-71.6168.2000111.1K423 M430 I431 I432K423-I428 HydrophobicContact CG-CD1 4.01Å; K423-I428 HydrophobicContact CG-CG1 4.14Å; K423-I428 WeakPolarHBondContact O-CB 3.29Å; K423-I428 WeakPolarHBondContact O-CG1 3.46Å; K423-I428 PolarHBondContact O-N 2.91Å; I428-M430 VanDerWaalsContact C-N 3.31Å; I428-M430 PolarHBondContact O-N 2.78Å; I428-I431 PolarHBondContact O-N 3.03Å; I428-I432 HydrophobicContact CG2-CD1 3.75Å; I428-I432 HydrophobicContact CG2-CG1 4.48Å; I428-I432 WeakPolarHBondContact O-CG1 3.28Å; I428-I432 PolarHBondContact O-N 3.48Å
429P91.5Very high91.7Very high18 Ų1871.5 Ų71.512%0.11736%0.358CS..Hα-helixtrans-54.3-44.8174-31.738.9000113.5I24 V424 I426 I432 Q433I24-P429 HydrophobicContact CD1-CB 3.56Å; I24-P429 HydrophobicContact CD1-CG 3.57Å; I24-P429 HydrophobicContact CG1-CG 4.4Å; V424-P429 VanDerWaalsContact O-CD 3.26Å; V424-P429 WeakPolarHBondContact O-CD 3.28Å; I426-P429 WeakPolarHBondContact O-CD 3.41Å; P429-I432 PolarHBondContact O-N 2.67Å; P429-Q433 VanDerWaalsContact O-CB 3.3Å; P429-Q433 WeakPolarHBondContact O-CB 3.25Å; P429-Q433 PolarHBondContact O-N 3.23Å
430M92.3Very high91.9Very high99 Ų9969.2 Ų69.249%0.48835%0.346SS..Hα-helixtrans-64.6-43.4-179.9-172.8-175.2-66.800111.8I426 Q427 I428 Q433 I434I426-M430 HydrophobicContact CG2-CE 3.88Å; I426-M430 WeakPolarHBondContact O-CB 3.31Å; I426-M430 PolarHBondContact O-N 3.5Å; Q427-M430 PolarHBondContact O-N 3.32Å; I428-M430 VanDerWaalsContact C-N 3.31Å; I428-M430 PolarHBondContact O-N 2.78Å; M430-Q433 PolarHBondContact O-N 2.94Å; M430-I434 HydrophobicContact CG-CD1 3.94Å; M430-I434 WeakPolarHBondContact O-CB 3.27Å; M430-I434 VanDerWaalsContact O-CG1 3.25Å; M430-I434 WeakPolarHBondContact O-CG1 3.25Å; M430-I434 PolarHBondContact O-N 2.88Å
431I94.1Very high92.3Very high95 Ų9567 Ų6749%0.48734%0.337SS..Hα-helixtrans-61.7-46.7176.3-70.8164.6000110.5Q427 I428 Q433 I434 I435Q427-I431 WeakPolarHBondContact O-CB 3.45Å; Q427-I431 WeakPolarHBondContact O-CD1 3.44Å; Q427-I431 WeakPolarHBondContact O-CG1 3.33Å; Q427-I431 PolarHBondContact O-N 3.46Å; I428-I431 PolarHBondContact O-N 3.03Å; I431-Q433 VanDerWaalsContact C-N 3.32Å; I431-Q433 PolarHBondContact O-N 3.45Å; I431-I434 PolarHBondContact O-N 3Å; I431-I435 HydrophobicContact CG2-CD1 3.72Å; I431-I435 HydrophobicContact CG2-CG1 4.42Å; I431-I435 VanDerWaalsContact O-CG1 3.29Å; I431-I435 WeakPolarHBondContact O-CG1 3.41Å; I431-I435 PolarHBondContact O-N 3.27Å
432I93.1Very high92.6Very high69 Ų6971.7 Ų71.735%0.35436%0.356SS..Hα-helixtrans-61-44.8177.9-66168.1000110.2L20 I428 P429 I434 I435 L436L20-I432 HydrophobicContact CD1-CB 4.32Å; L20-I432 HydrophobicContact CD1-CD1 4.42Å; L20-I432 HydrophobicContact CD1-CG2 3.74Å; L20-I432 HydrophobicContact CD2-CB 4.38Å; L20-I432 HydrophobicContact CD2-CG2 4.08Å; I428-I432 HydrophobicContact CG2-CD1 3.75Å; I428-I432 HydrophobicContact CG2-CG1 4.48Å; I428-I432 WeakPolarHBondContact O-CG1 3.28Å; I428-I432 PolarHBondContact O-N 3.48Å; P429-I432 PolarHBondContact O-N 2.67Å; I432-I434 PolarHBondContact O-N 3.15Å; I432-I435 PolarHBondContact O-N 3.38Å; I432-L436 HydrophobicContact CG2-CD1 3.83Å; I432-L436 HydrophobicContact CG2-CG 4.31Å; I432-L436 WeakPolarHBondContact O-CB 3.26Å; I432-L436 VanDerWaalsContact O-CG 3.29Å; I432-L436 WeakPolarHBondContact O-CG 3.45Å; I432-L436 PolarHBondContact O-N 3.49Å
433Q93.3Very high92.8Very high102 Ų10271.9 Ų71.948%0.47736%0.358SS..Hα-helixtrans-59.7-46.2177.5-171.4179.2-7.400111.8L17 L20 P429 M430 I431 L436 M437L17-Q433 HydrophobicContact CD1-CB 4.46Å; L17-Q433 HydrophobicContact CD1-CG 3.7Å; L20-Q433 HydrophobicContact CD2-CB 4.09Å; P429-Q433 VanDerWaalsContact O-CB 3.3Å; P429-Q433 WeakPolarHBondContact O-CB 3.25Å; P429-Q433 PolarHBondContact O-N 3.23Å; M430-Q433 PolarHBondContact O-N 2.94Å; I431-Q433 VanDerWaalsContact C-N 3.32Å; I431-Q433 PolarHBondContact O-N 3.45Å; Q433-L436 PolarHBondContact O-N 3.03Å; Q433-M437 WeakPolarHBondContact O-CB 3.45Å; Q433-M437 VanDerWaalsContact O-CG 3.27Å; Q433-M437 WeakPolarHBondContact O-CG 3.33Å; Q433-M437 PolarHBondContact O-N 3.45Å
434I94.8Very high93Very high95 Ų9567.5 Ų67.549%0.48735%0.345SS..Hα-helixtrans-62.2-46.4177.7-70.3166.2000110.6M430 I431 I432 L436 M437 M438M430-I434 HydrophobicContact CG-CD1 3.94Å; M430-I434 WeakPolarHBondContact O-CB 3.27Å; M430-I434 VanDerWaalsContact O-CG1 3.25Å; M430-I434 WeakPolarHBondContact O-CG1 3.25Å; M430-I434 PolarHBondContact O-N 2.88Å; I431-I434 PolarHBondContact O-N 3Å; I432-I434 PolarHBondContact O-N 3.15Å; I434-L436 PolarHBondContact O-N 2.93Å; I434-M437 PolarHBondContact O-N 3.45Å; I434-M438 HydrophobicContact CG2-CG 4.29Å; I434-M438 WeakPolarHBondContact O-CB 3.39Å; I434-M438 VanDerWaalsContact O-CG 3.28Å; I434-M438 WeakPolarHBondContact O-CG 3.21Å; I434-M438 PolarHBondContact O-N 3.44Å
435I95Very high93.4Very high93 Ų9369.3 Ų69.348%0.47735%0.351SS..Hα-helixtrans-60-47.7178.9-70.4169.2000110.6I431 I432 M437 M438 I439I431-I435 HydrophobicContact CG2-CD1 3.72Å; I431-I435 HydrophobicContact CG2-CG1 4.42Å; I431-I435 VanDerWaalsContact O-CG1 3.29Å; I431-I435 WeakPolarHBondContact O-CG1 3.41Å; I431-I435 PolarHBondContact O-N 3.27Å; I432-I435 PolarHBondContact O-N 3.38Å; I435-M437 VanDerWaalsContact C-N 3.35Å; I435-M437 PolarHBondContact O-N 2.97Å; I435-M438 PolarHBondContact O-N 3.28Å; I435-I439 HydrophobicContact CG2-CD1 3.83Å; I435-I439 HydrophobicContact CG2-CG1 4.5Å; I435-I439 VanDerWaalsContact O-CG1 3.29Å; I435-I439 WeakPolarHBondContact O-CG1 3.31Å; I435-I439 PolarHBondContact O-N 3.47Å
436L94.1Very high93.7Very high16 Ų1674.3 Ų74.38%0.08437%0.369CS..Hα-helixtrans-61.9-42.6178.7-70.1172.9000111.7L16 L17 I432 Q433 I434 I439 I440L16-L436 HydrophobicContact CB-CD1 4.03Å; L16-L436 HydrophobicContact CB-CD2 4.01Å; L16-L436 HydrophobicContact CD1-CD2 4.15Å; L17-L436 HydrophobicContact CB-CD1 4.28Å; L17-L436 HydrophobicContact CD1-CB 4.27Å; L17-L436 HydrophobicContact CD1-CD1 4.41Å; I432-L436 HydrophobicContact CG2-CD1 3.83Å; I432-L436 HydrophobicContact CG2-CG 4.31Å; I432-L436 WeakPolarHBondContact O-CB 3.26Å; I432-L436 VanDerWaalsContact O-CG 3.29Å; I432-L436 WeakPolarHBondContact O-CG 3.45Å; I432-L436 PolarHBondContact O-N 3.49Å; Q433-L436 PolarHBondContact O-N 3.03Å; I434-L436 PolarHBondContact O-N 2.93Å; L436-I439 PolarHBondContact O-N 3.27Å; L436-I440 VanDerWaalsContact O-CG1 3.31Å; L436-I440 WeakPolarHBondContact O-CG1 3.32Å; L436-I440 PolarHBondContact O-N 2.96Å
437M94.1Very high93.9Very high77 Ų7773.5 Ų73.538%0.37937%0.365SS..Hα-helixtrans-62.8-42.8175.5-74.3-61.6-6500112.2L17 Q433 I434 I435 I439 I440 I441L17-M437 HydrophobicContact CD1-CG 4.43Å; L17-M437 HydrophobicContact CD2-CG 4.35Å; L17-M437 HydrophobicContact CD2-SD 3.45Å; L17-M437 WeakPolarHBondContact CD2-SD 3.3Å; Q433-M437 WeakPolarHBondContact O-CB 3.45Å; Q433-M437 VanDerWaalsContact O-CG 3.27Å; Q433-M437 WeakPolarHBondContact O-CG 3.33Å; Q433-M437 PolarHBondContact O-N 3.45Å; I434-M437 PolarHBondContact O-N 3.45Å; I435-M437 VanDerWaalsContact C-N 3.35Å; I435-M437 PolarHBondContact O-N 2.97Å; M437-I439 VanDerWaalsContact C-N 3.35Å; M437-I439 PolarHBondContact O-N 3.11Å; M437-I440 PolarHBondContact O-N 3.29Å; M437-I441 VanDerWaalsContact O-CG1 3.28Å; M437-I441 WeakPolarHBondContact O-CG1 3.34Å; M437-I441 PolarHBondContact O-N 3.3Å
438M95Very high94Very high117 Ų11773.2 Ų73.258%0.57637%0.371SS*.Hα-helixtrans-63.9-39.5177.2-72.3-60.1-6800112I434 I435 I441 F442I434-M438 HydrophobicContact CG2-CG 4.29Å; I434-M438 WeakPolarHBondContact O-CB 3.39Å; I434-M438 VanDerWaalsContact O-CG 3.28Å; I434-M438 WeakPolarHBondContact O-CG 3.21Å; I434-M438 PolarHBondContact O-N 3.44Å; I435-M438 PolarHBondContact O-N 3.28Å; M438-I441 PolarHBondContact O-N 3.2Å; M438-F442 WeakPolarHBondContact O-CB 3.28Å; M438-F442 PolarHBondContact O-N 3.5Å
439I93.9Very high94.1Very high61 Ų6172.1 Ų72.131%0.31337%0.37SS..Hα-helixtrans-62.6-44.9175-68.2166.8000110.4S13 I435 L436 M437 N443S13-I439 WeakPolarHBondContact OG-CG2 3.07Å; I435-I439 HydrophobicContact CG2-CD1 3.83Å; I435-I439 HydrophobicContact CG2-CG1 4.5Å; I435-I439 VanDerWaalsContact O-CG1 3.29Å; I435-I439 WeakPolarHBondContact O-CG1 3.31Å; I435-I439 PolarHBondContact O-N 3.47Å; L436-I439 PolarHBondContact O-N 3.27Å; M437-I439 VanDerWaalsContact C-N 3.35Å; M437-I439 PolarHBondContact O-N 3.11Å; I439-N443 WeakPolarHBondContact CG2-ND2 3.24Å; I439-N443 WeakPolarHBondContact O-CB 3.44Å; I439-N443 PolarHBondContact O-N 3.04Å; I439-N443 PolarHBondContact O-ND2 3.25Å
440I94.7Very high94.1Very high33 Ų3372.9 Ų72.917%0.16937%0.373CS..Hα-helixtrans-61.8-48.8178.1-68.1165.1000110.7I10 F14 L17 L436 M437 G444I10-I440 HydrophobicContact CG2-CG2 4.39Å; F14-I440 HydrophobicContact CB-CD1 4.29Å; L17-I440 HydrophobicContact CD2-CD1 4.19Å; L436-I440 VanDerWaalsContact O-CG1 3.31Å; L436-I440 WeakPolarHBondContact O-CG1 3.32Å; L436-I440 PolarHBondContact O-N 2.96Å; M437-I440 PolarHBondContact O-N 3.29Å; I440-G444 PolarHBondContact O-N 2.86Å
441I95.2Very high94.1Very high84 Ų8472.2 Ų72.243%0.43137%0.371SS..Hα-helixtrans-63.2-48.2-178.8-68.5166.3000110.7M437 M438 G444 I445M437-I441 VanDerWaalsContact O-CG1 3.28Å; M437-I441 WeakPolarHBondContact O-CG1 3.34Å; M437-I441 PolarHBondContact O-N 3.3Å; M438-I441 PolarHBondContact O-N 3.2Å; I441-G444 PolarHBondContact O-N 2.88Å; I441-I445 HydrophobicContact CG2-CD1 3.69Å; I441-I445 HydrophobicContact CG2-CG1 4.38Å; I441-I445 WeakPolarHBondContact O-CG1 3.39Å; I441-I445 PolarHBondContact O-N 3.4Å
442F95.6Very high94Very high129 Ų12974 Ų7457%0.56638%0.375SS*.Hα-helixtrans-61.2-48.5-179.1179.1-98.3000111.9M438 G444 I445 W446M438-F442 WeakPolarHBondContact O-CB 3.28Å; M438-F442 PolarHBondContact O-N 3.5Å; F442-G444 VanDerWaalsContact C-N 3.31Å; F442-G444 PolarHBondContact O-N 3.04Å; F442-I445 PolarHBondContact O-N 3.42Å; F442-W446 AromaticContact CE1-CE3 3.81Å; F442-W446 HydrophobicContact CE1-CE3 3.81Å; F442-W446 HydrophobicContact CE1-CZ3 4.2Å; F442-W446 HydrophobicContact CZ-CE3 4.37Å; F442-W446 WeakPolarHBondContact O-CB 3.49Å; F442-W446 PolarHBondContact O-N 2.96Å
443N93.7Very high94Very high15 Ų1578.1 Ų78.18%0.0839%0.391CS..Hα-helixtrans-66.6-34.7177.7-75.1-81.4000111.8L6 I10 I439 W446 L447L6-N443 HydrophobicContact CD2-CB 4.38Å; L6-N443 WeakPolarHBondContact CD2-OD1 3.33Å; I10-N443 HydrophobicContact CD1-CB 3.97Å; I10-N443 HydrophobicContact CG1-CB 3.61Å; I439-N443 WeakPolarHBondContact CG2-ND2 3.24Å; I439-N443 WeakPolarHBondContact O-CB 3.44Å; I439-N443 PolarHBondContact O-N 3.04Å; I439-N443 PolarHBondContact O-ND2 3.25Å; N443-W446 PolarHBondContact O-N 3.48Å; N443-L447 VanDerWaalsContact O-CB 3.24Å; N443-L447 WeakPolarHBondContact O-CB 3.28Å; N443-L447 PolarHBondContact O-N 2.86Å
444G94.3Very high93.8Very high22 Ų2276.9 Ų76.923%0.22739%0.387CS..Hα-helixtrans-63.7-48.5175.300000112.4I440 I441 F442 W446 L447 C448I440-G444 PolarHBondContact O-N 2.86Å; I441-G444 PolarHBondContact O-N 2.88Å; F442-G444 VanDerWaalsContact C-N 3.31Å; F442-G444 PolarHBondContact O-N 3.04Å; G444-W446 VanDerWaalsContact C-N 3.33Å; G444-W446 PolarHBondContact O-N 3.31Å; G444-L447 PolarHBondContact O-N 3.19Å; G444-C448 PolarHBondContact O-N 3.24Å; G444-C448 PolarHBondContact O-SG 3.46Å
445I95.2Very high93.6Very high112 Ų11278.1 Ų78.157%0.57439%0.389SS*.Hα-helixtrans-61.8-43.6175.8-67.3168.7000110.3I441 F442 L447 C448 S449I441-I445 HydrophobicContact CG2-CD1 3.69Å; I441-I445 HydrophobicContact CG2-CG1 4.38Å; I441-I445 WeakPolarHBondContact O-CG1 3.39Å; I441-I445 PolarHBondContact O-N 3.4Å; F442-I445 PolarHBondContact O-N 3.42Å; I445-L447 PolarHBondContact O-N 3.39Å; I445-C448 PolarHBondContact O-N 2.9Å; I445-S449 PolarHBondContact O-N 3.46Å
446W94.6Very high93.4Very high121 Ų12176.6 Ų76.646%0.45838%0.381SS..Hα-helixtrans-63-44.1178.8-167.45.2000111.4L6 F442 N443 G444 C448 S449 I450L6-W446 HydrophobicContact CD1-CB 4.42Å; L6-W446 HydrophobicContact CD1-CD2 4.21Å; L6-W446 HydrophobicContact CD1-CG 4.14Å; L6-W446 HydrophobicContact CD2-CD2 4.03Å; L6-W446 HydrophobicContact CD2-CE3 3.55Å; L6-W446 HydrophobicContact CD2-CZ3 4.01Å; F442-W446 AromaticContact CE1-CE3 3.81Å; F442-W446 HydrophobicContact CE1-CE3 3.81Å; F442-W446 HydrophobicContact CE1-CZ3 4.2Å; F442-W446 HydrophobicContact CZ-CE3 4.37Å; F442-W446 WeakPolarHBondContact O-CB 3.49Å; F442-W446 PolarHBondContact O-N 2.96Å; N443-W446 PolarHBondContact O-N 3.48Å; G444-W446 VanDerWaalsContact C-N 3.33Å; G444-W446 PolarHBondContact O-N 3.31Å; W446-C448 PolarHBondContact O-N 3.32Å; W446-S449 PolarHBondContact O-N 2.93Å; W446-S449 PolarHBondContact O-OG 3.28Å; W446-I450 HydrophobicContact CG-CD1 4.44Å; W446-I450 WeakPolarHBondContact O-CG1 3.42Å; W446-I450 PolarHBondContact O-N 2.96Å
447L94Very high93.1Very high26 Ų2684.6 Ų84.614%0.13641%0.41CS..Hα-helixtrans-58.8-48.3174.9-175.868000111.4I3 L6 I7 I10 N443 G444 I445 S449 I450 L451I3-L447 HydrophobicContact CB-CD1 4.31Å; I3-L447 HydrophobicContact CG1-CD1 4.26Å; I3-L447 HydrophobicContact CG2-CD1 3.89Å; L6-L447 HydrophobicContact CB-CD1 4.37Å; L6-L447 HydrophobicContact CD1-CB 4.37Å; L6-L447 HydrophobicContact CD1-CD1 4.38Å; I7-L447 HydrophobicContact CG1-CD1 4.24Å; I7-L447 HydrophobicContact CG1-CD2 3.86Å; I10-L447 HydrophobicContact CD1-CD2 4.29Å; N443-L447 VanDerWaalsContact O-CB 3.24Å; N443-L447 WeakPolarHBondContact O-CB 3.28Å; N443-L447 PolarHBondContact O-N 2.86Å; G444-L447 PolarHBondContact O-N 3.19Å; I445-L447 PolarHBondContact O-N 3.39Å; L447-S449 VanDerWaalsContact C-N 3.32Å; L447-S449 PolarHBondContact O-N 3.48Å; L447-I450 PolarHBondContact O-N 3.33Å; L447-L451 HydrophobicContact CG-CD1 4.19Å; L447-L451 WeakPolarHBondContact O-CG 3.37Å; L447-L451 PolarHBondContact O-N 3.06Å
448C93.6Very high92.6Very high81 Ų8185.2 Ų85.255%0.54742%0.415SS..Hα-helixtrans-58.4-42.4176.5-72.20000112G444 I445 W446 I450 L451 F452G444-C448 PolarHBondContact O-N 3.24Å; G444-C448 PolarHBondContact O-SG 3.46Å; I445-C448 PolarHBondContact O-N 2.9Å; W446-C448 PolarHBondContact O-N 3.32Å; C448-I450 VanDerWaalsContact C-N 3.33Å; C448-I450 PolarHBondContact O-N 3.46Å; C448-L451 PolarHBondContact O-N 2.85Å; C448-F452 VanDerWaalsContact O-CB 3.31Å; C448-F452 WeakPolarHBondContact O-CB 3.43Å; C448-F452 PolarHBondContact O-N 2.68Å
449S93.1Very high91.9Very high49 Ų4982.9 Ų82.934%0.34341%0.405SS..Hα-helixtrans-64.2-36.4178.276.50000112.8I445 W446 L447 K453I445-S449 PolarHBondContact O-N 3.46Å; W446-S449 PolarHBondContact O-N 2.93Å; W446-S449 PolarHBondContact O-OG 3.28Å; L447-S449 VanDerWaalsContact C-N 3.32Å; L447-S449 PolarHBondContact O-N 3.48Å; S449-K453 WeakPolarHBondContact O-CG 3.36Å; S449-K453 PolarHBondContact O-N 2.94Å
450I92.7Very high91.1Very high34 Ų3488.2 Ų88.217%0.17442%0.421CS..Hα-helixtrans-69.2-46.3176.1-68.4165.3000110I2 I3 L6 W446 L447 C448 F452 K453 L454I2-I450 HydrophobicContact CG2-CD1 3.86Å; I3-I450 HydrophobicContact CD1-CG2 3.96Å; I3-I450 HydrophobicContact CG1-CG2 3.92Å; L6-I450 HydrophobicContact CD1-CD1 3.61Å; W446-I450 HydrophobicContact CG-CD1 4.44Å; W446-I450 WeakPolarHBondContact O-CG1 3.42Å; W446-I450 PolarHBondContact O-N 2.96Å; L447-I450 PolarHBondContact O-N 3.33Å; C448-I450 VanDerWaalsContact C-N 3.33Å; C448-I450 PolarHBondContact O-N 3.46Å; I450-F452 VanDerWaalsContact C-N 3.32Å; I450-F452 PolarHBondContact O-N 3.33Å; I450-K453 PolarHBondContact O-N 3.42Å; I450-L454 HydrophobicContact CG2-CD1 4.08Å; I450-L454 HydrophobicContact CG2-CG 4.49Å; I450-L454 WeakPolarHBondContact O-CG 3.47Å; I450-L454 PolarHBondContact O-N 3.06Å
451L91.7Very high90.1Very high86 Ų8689.6 Ų89.645%0.4543%0.434SS..Hα-helixtrans-62-41.3178.1-68.4174.8000111.5I3 L447 C448 L454 F455I3-L451 HydrophobicContact CD1-CD2 4.24Å; L447-L451 HydrophobicContact CG-CD1 4.19Å; L447-L451 WeakPolarHBondContact O-CG 3.37Å; L447-L451 PolarHBondContact O-N 3.06Å; C448-L451 PolarHBondContact O-N 2.85Å; L451-L454 PolarHBondContact O-N 2.97Å; L451-F455 WeakPolarHBondContact O-CB 3.31Å; L451-F455 PolarHBondContact O-N 2.86Å
452F92.9Very high88.8Confident132 Ų13291.2 Ų91.258%0.57944%0.441SS*.Hα-helixtrans-62.8-43.5175.6-174.5-106.9000112.2C448 I450 L454 F455 I456C448-F452 VanDerWaalsContact O-CB 3.31Å; C448-F452 WeakPolarHBondContact O-CB 3.43Å; C448-F452 PolarHBondContact O-N 2.68Å; I450-F452 VanDerWaalsContact C-N 3.32Å; I450-F452 PolarHBondContact O-N 3.33Å; F452-L454 VanDerWaalsContact C-N 3.34Å; F452-L454 PolarHBondContact O-N 3.31Å; F452-F455 PolarHBondContact O-N 3.24Å; F452-I456 HydrophobicContact CD1-CD1 3.81Å; F452-I456 HydrophobicContact CE1-CD1 3.3Å; F452-I456 HydrophobicContact CE1-CG1 4.3Å; F452-I456 HydrophobicContact CE2-CD1 4.39Å; F452-I456 HydrophobicContact CZ-CD1 3.64Å; F452-I456 HydrophobicContact CZ-CG1 4.33Å; F452-I456 WeakPolarHBondContact O-CG1 3.44Å; F452-I456 PolarHBondContact O-N 3.46Å
453K91.7Very high87.4Confident155 Ų15589.6 Ų89.667%0.67444%0.438SS*.Hα-helixtrans-61.6-40.5173.6-78.2-177.6179.5-178.10112.3S449 I450 R457S449-K453 WeakPolarHBondContact O-CG 3.36Å; S449-K453 PolarHBondContact O-N 2.94Å; I450-K453 PolarHBondContact O-N 3.42Å; K453-R457 WeakPolarHBondContact O-CB 3.46Å; K453-R457 PolarHBondContact O-N 3Å
454L90Very high85.9Confident76 Ų7693.8 Ų93.840%0.39846%0.461SS..Hα-helixtrans-66.7-40176.7-71.6173.1000111.9I3 I450 L451 F452 R457 N458I3-L454 HydrophobicContact CD1-CD1 3.81Å; I450-L454 HydrophobicContact CG2-CD1 4.08Å; I450-L454 HydrophobicContact CG2-CG 4.49Å; I450-L454 WeakPolarHBondContact O-CG 3.47Å; I450-L454 PolarHBondContact O-N 3.06Å; L451-L454 PolarHBondContact O-N 2.97Å; F452-L454 VanDerWaalsContact C-N 3.34Å; F452-L454 PolarHBondContact O-N 3.31Å; L454-R457 PolarHBondContact O-N 3.38Å; L454-N458 WeakPolarHBondContact O-CB 3.37Å; L454-N458 PolarHBondContact O-N 2.92Å
455F90.5Very high84.2Confident121 Ų12193.9 Ų93.953%0.53146%0.462SS..Hα-helixtrans-61.8-48.2175.4-179.1-100.5000111.7L451 F452 R457 N458 N459L451-F455 WeakPolarHBondContact O-CB 3.31Å; L451-F455 PolarHBondContact O-N 2.86Å; F452-F455 PolarHBondContact O-N 3.24Å; F455-R457 VanDerWaalsContact C-N 3.3Å; F455-R457 PolarHBondContact O-N 3.3Å; F455-N458 PolarHBondContact O-N 3.38Å; F455-N459 WeakPolarHBondContact CE1-ND2 3.46Å; F455-N459 WeakPolarHBondContact CZ-ND2 3.47Å; F455-N459 PolarHBondContact O-N 3.43Å
456I90.2Very high82.4Confident62 Ų6295 Ų9532%0.31847%0.465SS..Hα-helixtrans-59-43.3174.7-69.9175.1000110.9F452 N458 N459 R460F452-I456 HydrophobicContact CD1-CD1 3.81Å; F452-I456 HydrophobicContact CE1-CD1 3.3Å; F452-I456 HydrophobicContact CE1-CG1 4.3Å; F452-I456 HydrophobicContact CE2-CD1 4.39Å; F452-I456 HydrophobicContact CZ-CD1 3.64Å; F452-I456 HydrophobicContact CZ-CG1 4.33Å; F452-I456 WeakPolarHBondContact O-CG1 3.44Å; F452-I456 PolarHBondContact O-N 3.46Å; I456-N458 VanDerWaalsContact C-N 3.34Å; I456-N458 PolarHBondContact O-N 3.43Å; I456-N459 PolarHBondContact O-N 2.97Å; I456-R460 WeakPolarHBondContact O-CG 3.44Å; I456-R460 PolarHBondContact O-N 3.25Å
457R88Confident80.5Confident183 Ų18393.6 Ų93.669%0.69147%0.466SS*.Hα-helixtrans-63.3-41.2179.4-165.5176.786166.27.7111.8K453 L454 F455 R460 S461K453-R457 WeakPolarHBondContact O-CB 3.46Å; K453-R457 PolarHBondContact O-N 3Å; L454-R457 PolarHBondContact O-N 3.38Å; F455-R457 VanDerWaalsContact C-N 3.3Å; F455-R457 PolarHBondContact O-N 3.3Å; R457-R460 PolarHBondContact O-N 3.48Å; R457-S461 PolarHBondContact O-N 2.84Å; R457-S461 PolarHBondContact O-OG 3.01Å
458N83.8Confident78.6Confident90 Ų9099.6 Ų99.648%0.48149%0.494SS..Hα-helixtrans-66.9-42.3178.9-162.948.7000111.9L454 F455 I456 R460 S461 M462L454-N458 WeakPolarHBondContact O-CB 3.37Å; L454-N458 PolarHBondContact O-N 2.92Å; F455-N458 PolarHBondContact O-N 3.38Å; I456-N458 VanDerWaalsContact C-N 3.34Å; I456-N458 PolarHBondContact O-N 3.43Å; N458-R460 VanDerWaalsContact C-N 3.31Å; N458-R460 PolarHBondContact O-N 3.24Å; N458-S461 WeakPolarHBondContact CA-OG 3.44Å; N458-S461 PolarHBondContact O-N 3.36Å; N458-S461 PolarHBondContact O-OG 3.29Å; N458-M462 WeakPolarHBondContact O-CG 3.45Å; N458-M462 PolarHBondContact O-N 3Å
459N80.8Confident76.8Confident69 Ų69105.8 Ų105.837%0.36951%0.506SS..Hα-helixtrans-62.5-38.5174.5-79.46.8000111.9F455 I456 M462 N463F455-N459 WeakPolarHBondContact CE1-ND2 3.46Å; F455-N459 WeakPolarHBondContact CZ-ND2 3.47Å; F455-N459 PolarHBondContact O-N 3.43Å; I456-N459 PolarHBondContact O-N 2.97Å; N459-M462 PolarHBondContact O-N 2.9Å; N459-N463 PolarHBondContact O-N 3Å; N459-N463 VanDerWaalsContact O-N 3.13Å
460R77Confident75Confident172 Ų172110.3 Ų110.365%0.64953%0.525SS*.Hα-helixtrans-63.4-45.1173.8-74.1-178.2-177.7-175.6-0.6112I456 R457 N458 M462 N463 D464I456-R460 WeakPolarHBondContact O-CG 3.44Å; I456-R460 PolarHBondContact O-N 3.25Å; R457-R460 PolarHBondContact O-N 3.48Å; N458-R460 VanDerWaalsContact C-N 3.31Å; N458-R460 PolarHBondContact O-N 3.24Å; R460-M462 VanDerWaalsContact C-N 3.31Å; R460-M462 PolarHBondContact O-N 3.38Å; R460-N463 PolarHBondContact O-N 3.02Å; R460-D464 VanDerWaalsContact O-CG 3.3Å; R460-D464 PolarHBondContact O-N 3.02Å
461S74.4Confident73.2Confident63 Ų63115.6 Ų115.644%0.44155%0.553SS.*Hα-helixtrans-65.9-30.8178.255.10000113.8R457 N458 G465R457-S461 PolarHBondContact O-N 2.84Å; R457-S461 PolarHBondContact O-OG 3.01Å; N458-S461 WeakPolarHBondContact CA-OG 3.44Å; N458-S461 PolarHBondContact O-N 3.36Å; N458-S461 PolarHBondContact O-OG 3.29Å; S461-G465 PolarHBondContact O-N 3.15Å
462M67.5Low71.3Confident117 Ų117115 Ų11558%0.57656%0.556SS**Hα-helixtrans-68.5-43.4173.9-70.4-173.277.200111.3N458 N459 R460 G465 E466N458-M462 WeakPolarHBondContact O-CG 3.45Å; N458-M462 PolarHBondContact O-N 3Å; N459-M462 PolarHBondContact O-N 2.9Å; R460-M462 VanDerWaalsContact C-N 3.31Å; R460-M462 PolarHBondContact O-N 3.38Å; M462-G465 PolarHBondContact O-N 3.11Å; M462-E466 PolarHBondContact O-N 3.43Å
463N64.8Low69.6Low95 Ų95114.6 Ų114.651%0.50857%0.566SS.*Hα-helixtrans-65.5-38.4175.6-72.26.4000112.4N459 R460 G465 N467N459-N463 PolarHBondContact O-N 3Å; N459-N463 VanDerWaalsContact O-N 3.13Å; R460-N463 PolarHBondContact O-N 3.02Å; N463-G465 VanDerWaalsContact C-N 3.33Å; N463-N467 VanDerWaalsContact O-CG 3.27Å; N463-N467 PolarHBondContact O-N 3.26Å; N463-N467 VanDerWaalsContact O-N 3.15Å; N463-N467 PolarHBondContact O-ND2 3.13Å; N463-N467 VanDerWaalsContact O-ND2 3.11Å
464D62.3Low67.5Low104 Ų104118.7 Ų118.756%0.55660%0.596SS**Hα-helixtrans-68.5-33.7176.4-67.9-24.4000111.7R460 Q468R460-D464 VanDerWaalsContact O-CG 3.3Å; R460-D464 PolarHBondContact O-N 3.02Å; D464-Q468 PolarHBondContact O-N 3.21Å
465G59.3Low66.3Low24 Ų24120.8 Ų120.825%0.24761%0.606CS.*Hα-helixtrans-66.5-47.3173.800000112.9S461 M462 N463 N467 Q468 W469S461-G465 PolarHBondContact O-N 3.15Å; M462-G465 PolarHBondContact O-N 3.11Å; N463-G465 VanDerWaalsContact C-N 3.33Å; G465-N467 VanDerWaalsContact C-N 3.29Å; G465-N467 PolarHBondContact O-N 3.32Å; G465-Q468 PolarHBondContact O-N 3.41Å; G465-Q468 VanDerWaalsContact O-N 3.11Å; G465-W469 PolarHBondContact O-N 3.38Å
466E57.2Low65Low136 Ų136120.8 Ų120.864%0.63661%0.609SS**Hα-helixtrans-59.2-38.2174.5-91.3-178158.100112.5M462 Q468 W469 L470M462-E466 PolarHBondContact O-N 3.43Å; E466-Q468 VanDerWaalsContact C-N 3.3Å; E466-Q468 PolarHBondContact O-N 3.11Å; E466-W469 PolarHBondContact O-N 3.47Å; E466-L470 PolarHBondContact O-N 3.36Å
467N55.6Low63.7Low90 Ų90124.1 Ų124.148%0.48163%0.626SS.*Hα-helixtrans-68.1-27.2176.3-71.4-30.2000113.2N463 G465N463-N467 VanDerWaalsContact O-CG 3.27Å; N463-N467 PolarHBondContact O-N 3.26Å; N463-N467 VanDerWaalsContact O-N 3.15Å; N463-N467 PolarHBondContact O-ND2 3.13Å; N463-N467 VanDerWaalsContact O-ND2 3.11Å; G465-N467 VanDerWaalsContact C-N 3.29Å; G465-N467 PolarHBondContact O-N 3.32Å
468Q54.1Low62.2Low153 Ų153120.6 Ų120.672%0.71562%0.622SS**Hα-helixtrans-73.9-32.9175.3-100.6179.6-2200113.1D464 G465 E466 L470 L471D464-Q468 PolarHBondContact O-N 3.21Å; G465-Q468 PolarHBondContact O-N 3.41Å; G465-Q468 VanDerWaalsContact O-N 3.11Å; E466-Q468 VanDerWaalsContact C-N 3.3Å; E466-Q468 PolarHBondContact O-N 3.11Å; Q468-L470 VanDerWaalsContact C-N 3.26Å; Q468-L470 PolarHBondContact O-N 3.22Å; Q468-L471 PolarHBondContact O-N 3.3Å
469W54.4Low60.9Low211 Ų211122.5 Ų122.580%0.79963%0.631SS**Hα-helixtrans-69.5-22.7174.1-70.399.6000113.2G465 E466 L471 S472G465-W469 PolarHBondContact O-N 3.38Å; E466-W469 PolarHBondContact O-N 3.47Å; W469-L471 VanDerWaalsContact C-N 3.34Å; W469-S472 PolarHBondContact O-OG 3.44Å
470L55.2Low59.5Low143 Ų143126.1 Ų126.175%0.74965%0.648SS**THydrogen-bonded Turntrans-82.7-8.2175.7-73.4165.2000113.7E466 Q468E466-L470 PolarHBondContact O-N 3.36Å; Q468-L470 VanDerWaalsContact C-N 3.26Å; Q468-L470 PolarHBondContact O-N 3.22Å
471L56.8Low58.3Low145 Ų145122.8 Ų122.876%0.75965%0.648SS**SBendtrans-115.12.5-175.5-72.8169000114.1Q468 W469Q468-L471 PolarHBondContact O-N 3.3Å; W469-L471 VanDerWaalsContact C-N 3.34Å
472S51.6Low57.1Low74 Ų74127.4 Ų127.452%0.51766%0.664SS.*  trans-78.5120.317142.20000110.3W469W469-S472 PolarHBondContact O-OG 3.44Å
473P55.6Low56.2Low123 Ų123128.3 Ų128.380%0.79967%0.671SS**  trans-80.1130.5-17931.2-30.2000110.9
474D47.5Very low55.4Low241 Ų241131.3 Ų131.3100%1.28969%0.686SS**  trans-73.70158.3-79.5-30.4000111.4

Retrieved 474 of 474 residues in 723.3 ms (Link to these results)

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