A0A087YQN4_POEFO Loading...

Putative nucleotidyltransferase MAB21L1

AlphaFold DB (A0A3Q3E8P1), UniProt , Accession A0A087YQN4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 359 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
1M62.1Low88.9Confident211 Ų21184.4 Ų84.4100%1.03946%0.462SS*.  0-50.30-73-169.3-79.600112.5A3 A4 Q5M1-A3 PolarHBondContact O-N 2.83Å; M1-A4 PolarHBondContact O-N 3.39Å; M1-Q5 PolarHBondContact O-N 2.95Å
2I76.3Confident89.7Confident142 Ų14277.3 Ų77.373%0.72842%0.423SS*.Hα-helixtrans-54.5-44.5-178.9-62.4164.4000113.6A4 Q5 A6I2-A4 PolarHBondContact O-N 2.82Å; I2-Q5 PolarHBondContact O-N 3.04Å; I2-A6 WeakPolarHBondContact O-CB 3.2Å; I2-A6 PolarHBondContact O-N 2.91Å
3A83.8Confident90.3Very high81 Ų8174.2 Ų74.267%0.66941%0.406SS*.Hα-helixtrans-64.8-35.4-179.800000114M1 K7M1-A3 PolarHBondContact O-N 2.83Å; A3-K7 WeakPolarHBondContact O-CB 3.37Å; A3-K7 PolarHBondContact O-N 3.3Å
4A87.6Confident90.9Very high65 Ų6573.1 Ų73.154%0.53740%0.395SS..Hα-helixtrans-72.5-41.5178.800000111.4M1 I2 K7 L8M1-A4 PolarHBondContact O-N 3.39Å; I2-A4 PolarHBondContact O-N 2.82Å; A4-K7 PolarHBondContact O-N 3.15Å; A4-L8 PolarHBondContact O-N 3.37Å
5Q88.2Confident91.4Very high71 Ų7168.3 Ų68.333%0.33237%0.369SS..Hα-helixtrans-63.1-47.1175.3-169.1-174.48.300111.1M1 I2 K7 L8 V9 D298M1-Q5 PolarHBondContact O-N 2.95Å; I2-Q5 PolarHBondContact O-N 3.04Å; Q5-K7 VanDerWaalsContact C-N 3.31Å; Q5-K7 PolarHBondContact O-N 2.93Å; Q5-L8 PolarHBondContact O-N 3.18Å; Q5-V9 WeakPolarHBondContact O-CG2 3.46Å; Q5-V9 PolarHBondContact O-N 3.08Å; Q5-D298 PolarHBondContact NE2-OD2 3.38Å
6A93.1Very high91.9Very high59 Ų5966.3 Ų66.349%0.48836%0.355SS..Hα-helixtrans-59.1-41.8175.700000112.1I2 V9 Y10I2-A6 WeakPolarHBondContact O-CB 3.2Å; I2-A6 PolarHBondContact O-N 2.91Å; A6-V9 PolarHBondContact O-N 3.06Å; A6-Y10 WeakPolarHBondContact O-CB 3.45Å; A6-Y10 PolarHBondContact O-N 3.25Å
7K95.8Very high92.3Very high102 Ų10268.2 Ų68.244%0.44337%0.365SS..Hα-helixtrans-63.1-41.4175.8-175177.3-179.6-176.50112.4A3 A4 Q5 Y10 H11A3-K7 WeakPolarHBondContact O-CB 3.37Å; A3-K7 PolarHBondContact O-N 3.3Å; A4-K7 PolarHBondContact O-N 3.15Å; Q5-K7 VanDerWaalsContact C-N 3.31Å; Q5-K7 PolarHBondContact O-N 2.93Å; K7-Y10 PolarHBondContact O-N 2.75Å; K7-H11 PolarHBondContact O-CD2 3.15Å; K7-H11 VanDerWaalsContact O-CD2 3.3Å; K7-H11 PolarHBondContact O-N 2.92Å; K7-H11 VanDerWaalsContact O-N 3.11Å
8L96.6Very high92.6Very high16 Ų1669.2 Ų69.28%0.08437%0.367CS..Hα-helixtrans-63.1-49.2176.1176.759.3000111.4A4 Q5 Y10 H11 L12 I349 L350 P353A4-L8 PolarHBondContact O-N 3.37Å; Q5-L8 PolarHBondContact O-N 3.18Å; L8-Y10 VanDerWaalsContact C-N 3.29Å; L8-Y10 PolarHBondContact O-N 3.25Å; L8-H11 PolarHBondContact O-N 3.43Å; L8-L12 HydrophobicContact CD1-CD1 3.85Å; L8-L12 HydrophobicContact CD1-CG 3.97Å; L8-L12 HydrophobicContact CG-CD1 3.86Å; L8-L12 HydrophobicContact CG-CG 4.4Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 VanDerWaalsContact O-CG 3.32Å; L8-L12 WeakPolarHBondContact O-CG 3.5Å; L8-L12 PolarHBondContact O-N 2.75Å; L8-I349 HydrophobicContact CD1-CG2 3.84Å; L8-L350 HydrophobicContact CD2-CD2 4.3Å; L8-P353 HydrophobicContact CB-CB 4.26Å; L8-P353 HydrophobicContact CB-CG 3.9Å; L8-P353 HydrophobicContact CD1-CB 3.87Å; L8-P353 HydrophobicContact CD1-CG 3.95Å
9V97.7Very high92.9Very high19 Ų1968.7 Ų68.712%0.11536%0.362CS..Hα-helixtrans-59.3-41.1177.8173.50000111.4Q5 A6 L12 N13 N294Q5-V9 WeakPolarHBondContact O-CG2 3.46Å; Q5-V9 PolarHBondContact O-N 3.08Å; A6-V9 PolarHBondContact O-N 3.06Å; V9-L12 PolarHBondContact O-N 2.65Å; V9-N13 WeakPolarHBondContact CG1-ND2 3.44Å; V9-N13 PolarHBondContact O-N 3.49Å; V9-N13 PolarHBondContact O-ND2 3.49Å; V9-N294 VanDerWaalsContact CG2-O 3.29Å; V9-N294 WeakPolarHBondContact CG2-O 3.26Å
10Y98.1Very high93.2Very high148 Ų14865.4 Ų65.458%0.5834%0.344SS*.Hα-helixtrans-58.6-53.9175.9173.4-95.9000111.8A6 K7 L8 L12 N13 K14A6-Y10 WeakPolarHBondContact O-CB 3.45Å; A6-Y10 PolarHBondContact O-N 3.25Å; K7-Y10 PolarHBondContact O-N 2.75Å; L8-Y10 VanDerWaalsContact C-N 3.29Å; L8-Y10 PolarHBondContact O-N 3.25Å; Y10-L12 VanDerWaalsContact C-N 3.31Å; Y10-L12 PolarHBondContact O-N 2.89Å; Y10-N13 PolarHBondContact O-N 3.03Å; Y10-K14 PolarHBondContact O-N 2.76Å
11H98.4Very high93.4Very high14 Ų1465.9 Ų65.97%0.06535%0.345CS..Hα-helixtrans-67.7-30.6-178.8-77.8-70.6000112.8K7 L8 K14 Y15 P353 L356 E357K7-H11 PolarHBondContact O-CD2 3.15Å; K7-H11 VanDerWaalsContact O-CD2 3.3Å; K7-H11 PolarHBondContact O-N 2.92Å; K7-H11 VanDerWaalsContact O-N 3.11Å; L8-H11 PolarHBondContact O-N 3.43Å; H11-K14 PolarHBondContact O-N 2.84Å; H11-Y15 WeakPolarHBondContact O-CB 3.49Å; H11-Y15 PolarHBondContact O-N 3.28Å; H11-P353 HydrophobicContact CB-CB 4.14Å; H11-P353 VanDerWaalsContact CB-O 3.28Å; H11-P353 WeakPolarHBondContact CB-O 3.48Å; H11-L356 HydrophobicContact CB-CD1 3.96Å; H11-E357 IonicContact CE1-OE1 2.77Å; H11-E357 IonicContact ND1-OE1 2.79Å
12L98.4Very high95.1Very high0 Ų059.7 Ų59.70%032%0.322CS..Hα-helixtrans-67.8-40.8173.3-75.3174.6000112.8L8 V9 Y10 K14 Y15 Y16 V253 L296 L300 L356L8-L12 HydrophobicContact CD1-CD1 3.85Å; L8-L12 HydrophobicContact CD1-CG 3.97Å; L8-L12 HydrophobicContact CG-CD1 3.86Å; L8-L12 HydrophobicContact CG-CG 4.4Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 VanDerWaalsContact O-CG 3.32Å; L8-L12 WeakPolarHBondContact O-CG 3.5Å; L8-L12 PolarHBondContact O-N 2.75Å; V9-L12 PolarHBondContact O-N 2.65Å; Y10-L12 VanDerWaalsContact C-N 3.31Å; Y10-L12 PolarHBondContact O-N 2.89Å; L12-K14 VanDerWaalsContact C-N 3.31Å; L12-Y15 PolarHBondContact O-N 2.89Å; L12-Y16 WeakPolarHBondContact O-CB 3.42Å; L12-Y16 PolarHBondContact O-N 3.42Å; L12-V253 HydrophobicContact CD2-CG1 4.13Å; L12-L296 HydrophobicContact CB-CD2 3.93Å; L12-L296 HydrophobicContact CB-CG 4.43Å; L12-L296 HydrophobicContact CD1-CG 4.22Å; L12-L300 HydrophobicContact CD1-CB 4.42Å; L12-L300 HydrophobicContact CD1-CD2 3.8Å; L12-L300 HydrophobicContact CD2-CD2 3.31Å; L12-L300 HydrophobicContact CG-CD2 4.21Å; L12-L356 HydrophobicContact CD2-CD1 3.51Å; L12-L356 HydrophobicContact CD2-CD2 4.23Å; L12-L356 HydrophobicContact CG-CD1 3.89Å
13N98.4Very high96.1Very high36 Ų3655.1 Ų55.119%0.19330%0.296CS..Hα-helixtrans-64.9-38.5173.7-81.6-70.6000111.2V9 Y10 Y16 N17 K249V9-N13 WeakPolarHBondContact CG1-ND2 3.44Å; V9-N13 PolarHBondContact O-N 3.49Å; V9-N13 PolarHBondContact O-ND2 3.49Å; Y10-N13 PolarHBondContact O-N 3.03Å; N13-Y16 PolarHBondContact O-N 3.37Å; N13-N17 WeakPolarHBondContact O-CB 3.37Å; N13-N17 VanDerWaalsContact O-CG 3.26Å; N13-N17 PolarHBondContact O-N 3.2Å; N13-N17 PolarHBondContact O-ND2 3.5Å; N13-K249 PolarHBondContact OD1-NZ 3.16Å
14K98.5Very high96.8Very high59 Ų5954.8 Ų54.826%0.25728%0.279SS..Hα-helixtrans-61.1-49.8172.1-173.6175.9176.91800111.8Y10 H11 L12 Y16 N17 E18 E357Y10-K14 PolarHBondContact O-N 2.76Å; H11-K14 PolarHBondContact O-N 2.84Å; L12-K14 VanDerWaalsContact C-N 3.31Å; K14-Y16 VanDerWaalsContact C-N 3.28Å; K14-Y16 PolarHBondContact O-N 3.21Å; K14-N17 PolarHBondContact O-N 2.81Å; K14-N17 VanDerWaalsContact O-N 3.16Å; K14-E18 WeakPolarHBondContact CE-OE1 3.21Å; K14-E18 HydrophobicContact CG-CG 4.44Å; K14-E18 WeakPolarHBondContact CG-OE1 3.3Å; K14-E18 WeakPolarHBondContact O-CB 3.1Å; K14-E18 WeakPolarHBondContact O-CG 3.4Å; K14-E18 PolarHBondContact O-N 3.48Å; K14-E357 IonicContact NZ-OE1 3.47Å; K14-E357 PolarHBondContact NZ-OE1 2.78Å
15Y98.7Very high97.2Very high2 Ų254.7 Ų54.71%0.00828%0.278CS..Hα-helixtrans-57.3-41.8175.9-174.9-93.3000112.1H11 L12 K19 C20 V253 A256 L257 L356 L359H11-Y15 WeakPolarHBondContact O-CB 3.49Å; H11-Y15 PolarHBondContact O-N 3.28Å; L12-Y15 PolarHBondContact O-N 2.89Å; Y15-K19 HydrophobicContact CD1-CB 4.45Å; Y15-K19 HydrophobicContact CD2-CB 4.11Å; Y15-K19 HydrophobicContact CD2-CG 3.58Å; Y15-K19 HydrophobicContact CE1-CB 4.2Å; Y15-K19 HydrophobicContact CE2-CB 3.86Å; Y15-K19 HydrophobicContact CE2-CG 3.5Å; Y15-K19 VanDerWaalsContact CE2-CG 3.5Å; Y15-K19 HydrophobicContact CG-CB 4.41Å; Y15-K19 HydrophobicContact CG-CG 4.24Å; Y15-K19 WeakPolarHBondContact O-CA 3.26Å; Y15-K19 WeakPolarHBondContact O-CB 3.45Å; Y15-K19 PolarHBondContact O-N 3.19Å; Y15-C20 PolarHBondContact O-N 3.14Å; Y15-V253 HydrophobicContact CD1-CG1 4.04Å; Y15-V253 HydrophobicContact CD1-CG2 4.39Å; Y15-V253 HydrophobicContact CE1-CG1 4.16Å; Y15-A256 HydrophobicContact CE1-CB 3.92Å; Y15-L257 HydrophobicContact CE1-CD2 4.29Å; Y15-L257 HydrophobicContact CE1-CG 4.28Å; Y15-L257 HydrophobicContact CE2-CD2 4.44Å; Y15-L356 HydrophobicContact CD2-CB 4.12Å; Y15-L356 HydrophobicContact CD2-CD2 4Å; Y15-L356 VanDerWaalsContact CD2-O 3.26Å; Y15-L356 WeakPolarHBondContact CD2-O 3.46Å; Y15-L356 HydrophobicContact CE2-CD2 4.4Å; Y15-L356 HydrophobicContact CG-CD2 4.12Å; Y15-L359 HydrophobicContact CE2-CB 4.26Å
16Y98.6Very high97.7Very high35 Ų3553.8 Ų53.814%0.13728%0.283CS..Iπ-helixtrans-62.4-48.1175.4177.6-98.1000111.9L12 N13 K14 E18 C20 Q21 K24 K249 V253L12-Y16 WeakPolarHBondContact O-CB 3.42Å; L12-Y16 PolarHBondContact O-N 3.42Å; N13-Y16 PolarHBondContact O-N 3.37Å; K14-Y16 VanDerWaalsContact C-N 3.28Å; K14-Y16 PolarHBondContact O-N 3.21Å; Y16-E18 VanDerWaalsContact C-N 3.31Å; Y16-E18 PolarHBondContact O-N 3.03Å; Y16-C20 HydrophobicContact CD2-CB 3.76Å; Y16-C20 HydrophobicContact CE2-CB 4.28Å; Y16-C20 HydrophobicContact CG-CB 4.34Å; Y16-C20 VanDerWaalsContact O-CB 3.24Å; Y16-C20 WeakPolarHBondContact O-CB 3.21Å; Y16-C20 PolarHBondContact O-N 3.41Å; Y16-Q21 VanDerWaalsContact CE1-NE2 3.3Å; Y16-Q21 WeakPolarHBondContact O-CG 3.49Å; Y16-Q21 PolarHBondContact O-N 3.44Å; Y16-Q21 VanDerWaalsContact O-N 3.08Å; Y16-K24 PolarHBondContact OH-NZ 2.89Å; Y16-K249 HydrophobicContact CD1-CD 4.32Å; Y16-K249 HydrophobicContact CD1-CG 4.12Å; Y16-K249 HydrophobicContact CD2-CG 3.57Å; Y16-K249 HydrophobicContact CE1-CG 4.24Å; Y16-K249 HydrophobicContact CE2-CB 4.27Å; Y16-K249 HydrophobicContact CE2-CG 3.72Å; Y16-K249 HydrophobicContact CG-CD 4.29Å; Y16-K249 HydrophobicContact CG-CG 3.78Å; Y16-V253 HydrophobicContact CD2-CG2 4.3Å
17N98.5Very high97.9Very high100 Ų10051.5 Ų51.554%0.53526%0.263SS..Iπ-helixtrans-68.7-28.6-178.3-71.2-22.6000113.2N13 K14 Q21N13-N17 WeakPolarHBondContact O-CB 3.37Å; N13-N17 VanDerWaalsContact O-CG 3.26Å; N13-N17 PolarHBondContact O-N 3.2Å; N13-N17 PolarHBondContact O-ND2 3.5Å; K14-N17 PolarHBondContact O-N 2.81Å; K14-N17 VanDerWaalsContact O-N 3.16Å; N17-Q21 VanDerWaalsContact O-CB 3.31Å; N17-Q21 WeakPolarHBondContact O-CB 3.46Å; N17-Q21 VanDerWaalsContact O-CG 3.29Å; N17-Q21 WeakPolarHBondContact O-CG 3.48Å
18E97.9Very high98Very high85 Ų8549.1 Ų49.140%0.39726%0.259SS..Iπ-helixtrans-94.2-70.3179.6-66.1174.4-175.900111.5K14 Y16 S22K14-E18 WeakPolarHBondContact CE-OE1 3.21Å; K14-E18 HydrophobicContact CG-CG 4.44Å; K14-E18 WeakPolarHBondContact CG-OE1 3.3Å; K14-E18 WeakPolarHBondContact O-CB 3.1Å; K14-E18 WeakPolarHBondContact O-CG 3.4Å; K14-E18 PolarHBondContact O-N 3.48Å; Y16-E18 VanDerWaalsContact C-N 3.31Å; Y16-E18 PolarHBondContact O-N 3.03Å; E18-S22 WeakPolarHBondContact O-CB 3.42Å; E18-S22 PolarHBondContact O-N 3.48Å
19K98.2Very high97.9Very high61 Ų6155.9 Ų55.927%0.26529%0.288SS..Iπ-helixtrans-74.7-44.1-170.4-49.8-55.3-173-173.40111.6Y15 R23Y15-K19 HydrophobicContact CD1-CB 4.45Å; Y15-K19 HydrophobicContact CD2-CB 4.11Å; Y15-K19 HydrophobicContact CD2-CG 3.58Å; Y15-K19 HydrophobicContact CE1-CB 4.2Å; Y15-K19 HydrophobicContact CE2-CB 3.86Å; Y15-K19 HydrophobicContact CE2-CG 3.5Å; Y15-K19 VanDerWaalsContact CE2-CG 3.5Å; Y15-K19 HydrophobicContact CG-CB 4.41Å; Y15-K19 HydrophobicContact CG-CG 4.24Å; Y15-K19 WeakPolarHBondContact O-CA 3.26Å; Y15-K19 WeakPolarHBondContact O-CB 3.45Å; Y15-K19 PolarHBondContact O-N 3.19Å; K19-R23 VanDerWaalsContact O-CB 3.26Å; K19-R23 WeakPolarHBondContact O-CB 3.3Å; K19-R23 PolarHBondContact O-N 2.78Å
20C98.4Very high97.9Very high2 Ų255.8 Ų55.81%0.01429%0.287CS..Iπ-helixtrans-70.7-37.5-179.5-57.20000112Y15 Y16 K24 A256Y15-C20 PolarHBondContact O-N 3.14Å; Y16-C20 HydrophobicContact CD2-CB 3.76Å; Y16-C20 HydrophobicContact CE2-CB 4.28Å; Y16-C20 HydrophobicContact CG-CB 4.34Å; Y16-C20 VanDerWaalsContact O-CB 3.24Å; Y16-C20 WeakPolarHBondContact O-CB 3.21Å; Y16-C20 PolarHBondContact O-N 3.41Å; C20-K24 VanDerWaalsContact O-CG 3.29Å; C20-K24 WeakPolarHBondContact O-CG 3.42Å; C20-K24 PolarHBondContact O-N 3Å; C20-A256 VanDerWaalsContact SG-CB 3.57Å
21Q98.2Very high97.9Very high76 Ų7649.8 Ų49.836%0.35527%0.265SS..Hα-helixtrans-68.5-43.5174.3-63.1-58.4-21.600112Y16 N17 R23 K24 A25Y16-Q21 VanDerWaalsContact CE1-NE2 3.3Å; Y16-Q21 WeakPolarHBondContact O-CG 3.49Å; Y16-Q21 PolarHBondContact O-N 3.44Å; Y16-Q21 VanDerWaalsContact O-N 3.08Å; N17-Q21 VanDerWaalsContact O-CB 3.31Å; N17-Q21 WeakPolarHBondContact O-CB 3.46Å; N17-Q21 VanDerWaalsContact O-CG 3.29Å; N17-Q21 WeakPolarHBondContact O-CG 3.48Å; Q21-R23 VanDerWaalsContact C-N 3.31Å; Q21-R23 PolarHBondContact O-N 3.1Å; Q21-K24 PolarHBondContact O-N 2.83Å; Q21-K24 VanDerWaalsContact O-N 3.15Å; Q21-A25 WeakPolarHBondContact O-CB 3.47Å; Q21-A25 PolarHBondContact O-N 2.88Å
22S98.1Very high97.8Very high81 Ų8154.5 Ų54.557%0.56628%0.282SS*.Hα-helixtrans-57.2-45.8173.9179.70000111.5E18 K24 A25 A26E18-S22 WeakPolarHBondContact O-CB 3.42Å; E18-S22 PolarHBondContact O-N 3.48Å; S22-K24 PolarHBondContact O-N 2.79Å; S22-A25 PolarHBondContact O-N 3.22Å; S22-A26 WeakPolarHBondContact O-CB 3.45Å; S22-A26 PolarHBondContact O-N 3.39Å
23R97.9Very high97.7Very high45 Ų4556.6 Ų56.617%0.1729%0.292CS..Hα-helixtrans-57-48.6173.1179.4-173.8-179-74.9-7.1112.1K19 Q21 A26 I27 D259K19-R23 VanDerWaalsContact O-CB 3.26Å; K19-R23 WeakPolarHBondContact O-CB 3.3Å; K19-R23 PolarHBondContact O-N 2.78Å; Q21-R23 VanDerWaalsContact C-N 3.31Å; Q21-R23 PolarHBondContact O-N 3.1Å; R23-A26 PolarHBondContact O-N 2.88Å; R23-I27 HydrophobicContact CG-CD1 3.68Å; R23-I27 HydrophobicContact CG-CG1 4.46Å; R23-I27 VanDerWaalsContact CZ-CD1 3.48Å; R23-I27 WeakPolarHBondContact O-CB 3.4Å; R23-I27 VanDerWaalsContact O-CG1 3.25Å; R23-I27 WeakPolarHBondContact O-CG1 3.28Å; R23-I27 PolarHBondContact O-N 2.83Å; R23-D259 IonicContact CZ-OD2 2.66Å; R23-D259 IonicContact NE-OD2 3.05Å; R23-D259 PolarHBondContact NE-OD2 3.08Å; R23-D259 IonicContact NH2-OD1 2.73Å; R23-D259 IonicContact NH2-OD2 3.19Å; R23-D259 PolarHBondContact NH2-OD2 3.21Å
24K97.2Very high97.6Very high74 Ų7454.9 Ų54.932%0.32228%0.283SS..Hα-helixtrans-60.5-45.1178.9-76.5173.3-178.4-178.60111.7Y16 C20 Q21 S22 S28Y16-K24 PolarHBondContact OH-NZ 2.89Å; C20-K24 VanDerWaalsContact O-CG 3.29Å; C20-K24 WeakPolarHBondContact O-CG 3.42Å; C20-K24 PolarHBondContact O-N 3Å; Q21-K24 PolarHBondContact O-N 2.83Å; Q21-K24 VanDerWaalsContact O-N 3.15Å; S22-K24 PolarHBondContact O-N 2.79Å; K24-S28 VanDerWaalsContact O-CB 3.24Å; K24-S28 WeakPolarHBondContact O-CB 3.33Å; K24-S28 PolarHBondContact O-N 3.06Å
25A97.3Very high97.6Very high63 Ų6352.2 Ų52.252%0.52127%0.271SS..Hα-helixtrans-64.4-46.217900000111.9Q21 S22 S28 K29Q21-A25 WeakPolarHBondContact O-CB 3.47Å; Q21-A25 PolarHBondContact O-N 2.88Å; S22-A25 PolarHBondContact O-N 3.22Å; A25-S28 PolarHBondContact O-N 3.38Å; A25-K29 PolarHBondContact O-N 2.84Å
26A97.9Very high97.5Very high52 Ų5258.5 Ų58.543%0.4330%0.298SS..Hα-helixtrans-62.2-44.4177.900000112.1S22 R23 K29 T30S22-A26 WeakPolarHBondContact O-CB 3.45Å; S22-A26 PolarHBondContact O-N 3.39Å; R23-A26 PolarHBondContact O-N 2.88Å; A26-K29 PolarHBondContact O-N 3.23Å; A26-T30 PolarHBondContact O-N 3.25Å; A26-T30 PolarHBondContact O-OG1 3.27Å
27I97.5Very high97.5Very high12 Ų1257 Ų576%0.06229%0.293CS..Hα-helixtrans-67.4-41.7177.5-69.4174.4000110.8R23 K29 T30 I31 V68 P71 F74R23-I27 HydrophobicContact CG-CD1 3.68Å; R23-I27 HydrophobicContact CG-CG1 4.46Å; R23-I27 VanDerWaalsContact CZ-CD1 3.48Å; R23-I27 WeakPolarHBondContact O-CB 3.4Å; R23-I27 VanDerWaalsContact O-CG1 3.25Å; R23-I27 WeakPolarHBondContact O-CG1 3.28Å; R23-I27 PolarHBondContact O-N 2.83Å; I27-K29 VanDerWaalsContact C-N 3.33Å; I27-K29 PolarHBondContact O-N 3.03Å; I27-T30 CarbonylContact O-C 3.5Å; I27-T30 WeakPolarHBondContact O-CB 3.31Å; I27-T30 PolarHBondContact O-N 3.47Å; I27-T30 VanDerWaalsContact O-N 3.12Å; I27-I31 HydrophobicContact CG2-CD1 3.63Å; I27-I31 HydrophobicContact CG2-CG1 4.09Å; I27-I31 WeakPolarHBondContact O-CB 3.29Å; I27-I31 VanDerWaalsContact O-CG1 3.29Å; I27-I31 WeakPolarHBondContact O-CG1 3.34Å; I27-I31 PolarHBondContact O-N 3.13Å; I27-V68 HydrophobicContact CD1-CG1 4.09Å; I27-V68 HydrophobicContact CG2-CG1 4.04Å; I27-V68 HydrophobicContact CG2-CG2 3.98Å; I27-P71 HydrophobicContact CG1-CB 4.42Å; I27-F74 HydrophobicContact CG2-CE1 4.12Å
28S96.5Very high97.5Very high51 Ų5152.2 Ų52.236%0.35727%0.267SS..Hα-helixtrans-59.9-43176.7179.50000112K24 A25 T30 I31 R32K24-S28 VanDerWaalsContact O-CB 3.24Å; K24-S28 WeakPolarHBondContact O-CB 3.33Å; K24-S28 PolarHBondContact O-N 3.06Å; A25-S28 PolarHBondContact O-N 3.38Å; S28-T30 VanDerWaalsContact C-N 3.34Å; S28-T30 PolarHBondContact O-N 3.29Å; S28-I31 PolarHBondContact O-N 3.47Å; S28-R32 PolarHBondContact O-N 3.43Å; S28-R32 VanDerWaalsContact O-N 3.13Å
29K96.3Very high97.5Very high159 Ų15950.2 Ų50.269%0.69126%0.263SS*.Hα-helixtrans-59.4-45.2172.8-177.7179.3177.5179.10111.7A25 A26 I27 R32 E33A25-K29 PolarHBondContact O-N 2.84Å; A26-K29 PolarHBondContact O-N 3.23Å; I27-K29 VanDerWaalsContact C-N 3.33Å; I27-K29 PolarHBondContact O-N 3.03Å; K29-R32 PolarHBondContact O-N 3.34Å; K29-E33 PolarHBondContact O-N 2.99Å
30T97.7Very high97.5Very high17 Ų1748.6 Ų48.610%0.10426%0.257CS..Hα-helixtrans-64.7-43.1179.5-54.80000111.7A26 I27 S28 R32 E33 V34 F74 Y166A26-T30 PolarHBondContact O-N 3.25Å; A26-T30 PolarHBondContact O-OG1 3.27Å; I27-T30 CarbonylContact O-C 3.5Å; I27-T30 WeakPolarHBondContact O-CB 3.31Å; I27-T30 PolarHBondContact O-N 3.47Å; I27-T30 VanDerWaalsContact O-N 3.12Å; S28-T30 VanDerWaalsContact C-N 3.34Å; S28-T30 PolarHBondContact O-N 3.29Å; T30-R32 VanDerWaalsContact C-N 3.34Å; T30-R32 PolarHBondContact O-N 3.12Å; T30-E33 WeakPolarHBondContact O-CB 3.38Å; T30-E33 PolarHBondContact O-N 3.37Å; T30-E33 VanDerWaalsContact O-N 3.16Å; T30-V34 HydrophobicContact CG2-CG2 4.21Å; T30-V34 WeakPolarHBondContact O-CB 3.48Å; T30-V34 WeakPolarHBondContact O-CG2 3.41Å; T30-V34 PolarHBondContact O-N 2.95Å; T30-F74 HydrophobicContact CG2-CE2 3.82Å; T30-F74 HydrophobicContact CG2-CZ 3.7Å; T30-Y166 HydrophobicContact CG2-CD1 3.7Å; T30-Y166 HydrophobicContact CG2-CD2 4.44Å; T30-Y166 HydrophobicContact CG2-CE1 3.42Å; T30-Y166 VanDerWaalsContact CG2-CE1 3.42Å; T30-Y166 HydrophobicContact CG2-CE2 4.2Å; T30-Y166 HydrophobicContact CG2-CG 4.21Å
31I97.8Very high97.5Very high22 Ų2248.5 Ų48.511%0.11326%0.257CS..Hα-helixtrans-58.3-46.2177.2-74.6168.8000110.5I27 S28 E33 V34 C35 F63 L66 V68 F74I27-I31 HydrophobicContact CG2-CD1 3.63Å; I27-I31 HydrophobicContact CG2-CG1 4.09Å; I27-I31 WeakPolarHBondContact O-CB 3.29Å; I27-I31 VanDerWaalsContact O-CG1 3.29Å; I27-I31 WeakPolarHBondContact O-CG1 3.34Å; I27-I31 PolarHBondContact O-N 3.13Å; S28-I31 PolarHBondContact O-N 3.47Å; I31-E33 VanDerWaalsContact C-N 3.25Å; I31-E33 PolarHBondContact O-N 3.28Å; I31-V34 PolarHBondContact O-N 3.39Å; I31-C35 VanDerWaalsContact O-CB 3.28Å; I31-C35 WeakPolarHBondContact O-CB 3.37Å; I31-C35 PolarHBondContact O-N 3.27Å; I31-C35 PolarHBondContact O-SG 3.38Å; I31-F63 HydrophobicContact CG2-CD2 3.38Å; I31-F63 HydrophobicContact CG2-CE2 3.66Å; I31-F63 HydrophobicContact CG2-CG 4.29Å; I31-L66 HydrophobicContact CD1-CD2 3.7Å; I31-L66 HydrophobicContact CG1-CD1 4.45Å; I31-L66 HydrophobicContact CG1-CD2 4.04Å; I31-L66 HydrophobicContact CG2-CD1 3.83Å; I31-L66 HydrophobicContact CG2-CD2 4.39Å; I31-V68 HydrophobicContact CD1-CG2 3.87Å; I31-F74 HydrophobicContact CD1-CE1 4.26Å; I31-F74 HydrophobicContact CG1-CD1 4.06Å; I31-F74 HydrophobicContact CG1-CE1 3.61Å; I31-F74 HydrophobicContact CG1-CZ 4.32Å
32R95.8Very high97.5Very high113 Ų11344.9 Ų44.943%0.42624%0.24SC..Hα-helixtrans-61.1-34.9178.5-71.3-178.6-179.2-165-2.6113S28 K29 T30 K36 E58 F63S28-R32 PolarHBondContact O-N 3.43Å; S28-R32 VanDerWaalsContact O-N 3.13Å; K29-R32 PolarHBondContact O-N 3.34Å; T30-R32 VanDerWaalsContact C-N 3.34Å; T30-R32 PolarHBondContact O-N 3.12Å; R32-K36 VanDerWaalsContact O-CG 3.31Å; R32-K36 WeakPolarHBondContact O-CG 3.34Å; R32-E58 IonicContact NE-OE1 3.73Å; R32-E58 IonicContact NH2-OE1 2.69Å; R32-F63 HydrophobicContact CG-CE2 4.41Å
33E95.8Very high97.5Very high44 Ų4447.3 Ų47.321%0.20624%0.24CC..Hα-helixtrans-69.9-51.1175.3-180-177.6161.400111K29 T30 I31 K36 R163K29-E33 PolarHBondContact O-N 2.99Å; T30-E33 WeakPolarHBondContact O-CB 3.38Å; T30-E33 PolarHBondContact O-N 3.37Å; T30-E33 VanDerWaalsContact O-N 3.16Å; I31-E33 VanDerWaalsContact C-N 3.25Å; I31-E33 PolarHBondContact O-N 3.28Å; E33-K36 PolarHBondContact O-N 3.06Å; E33-R163 WeakPolarHBondContact OE1-CD 3.47Å; E33-R163 IonicContact OE1-CZ 3.26Å; E33-R163 VanDerWaalsContact OE1-CZ 3.26Å; E33-R163 IonicContact OE1-NE 3.42Å; E33-R163 PolarHBondContact OE1-NE 3.26Å; E33-R163 IonicContact OE1-NH1 2.65Å; E33-R163 PolarHBondContact OE1-NH1 3.19Å; E33-R163 IonicContact OE2-NH1 3.9Å
34V97.8Very high97.6Very high0 Ų047.6 Ų47.60%024%0.243CC..Hα-helixtrans-61.4-47.3-179161.20000111.9T30 I31 K36 V37 V38 F74 I162 Y166 V168T30-V34 HydrophobicContact CG2-CG2 4.21Å; T30-V34 WeakPolarHBondContact O-CB 3.48Å; T30-V34 WeakPolarHBondContact O-CG2 3.41Å; T30-V34 PolarHBondContact O-N 2.95Å; I31-V34 PolarHBondContact O-N 3.39Å; V34-K36 VanDerWaalsContact C-N 3.27Å; V34-K36 PolarHBondContact O-N 3.33Å; V34-V37 PolarHBondContact O-N 3.06Å; V34-V37 VanDerWaalsContact O-N 3.13Å; V34-V38 HydrophobicContact CG1-CG2 4.16Å; V34-V38 WeakPolarHBondContact O-CG2 3.38Å; V34-V38 PolarHBondContact O-N 2.53Å; V34-F74 HydrophobicContact CG1-CD2 4.45Å; V34-F74 HydrophobicContact CG2-CD2 4.39Å; V34-F74 HydrophobicContact CG2-CE2 4.23Å; V34-I162 HydrophobicContact CB-CD1 4.4Å; V34-I162 HydrophobicContact CG1-CD1 4.09Å; V34-I162 HydrophobicContact CG2-CD1 4.26Å; V34-Y166 HydrophobicContact CG2-CD2 4.04Å; V34-Y166 HydrophobicContact CG2-CG 4.07Å; V34-V168 HydrophobicContact CB-CG2 4.47Å; V34-V168 HydrophobicContact CG1-CB 4.4Å; V34-V168 HydrophobicContact CG1-CG1 4.28Å; V34-V168 HydrophobicContact CG1-CG2 3.29Å; V34-V168 HydrophobicContact CG2-CG2 4.42Å
35C97.6Very high97.6Very high2 Ų244 Ų441%0.01423%0.228CC..Hα-helixtrans-61.1-34.6-178.3-72.60000112.4I31 V37 V38 S39 L56 F63 L66I31-C35 VanDerWaalsContact O-CB 3.28Å; I31-C35 WeakPolarHBondContact O-CB 3.37Å; I31-C35 PolarHBondContact O-N 3.27Å; I31-C35 PolarHBondContact O-SG 3.38Å; C35-V37 VanDerWaalsContact C-N 3.34Å; C35-V37 PolarHBondContact O-N 3.08Å; C35-V38 PolarHBondContact O-N 2.84Å; C35-S39 WeakPolarHBondContact O-CB 3.39Å; C35-S39 PolarHBondContact O-N 3.25Å; C35-S39 PolarHBondContact O-OG 2.79Å; C35-S39 VanDerWaalsContact O-OG 3.04Å; C35-L56 HydrophobicContact CB-CD2 3.9Å; C35-F63 HydrophobicContact CB-CD1 4.01Å; C35-F63 HydrophobicContact CB-CE1 3.6Å; C35-F63 HydrophobicContact CB-CE2 4.36Å; C35-F63 HydrophobicContact CB-CZ 3.81Å; C35-L66 WeakPolarHBondContact SG-CD1 3.32Å
36K97Very high97.7Very high134 Ų13444.4 Ų44.458%0.58322%0.219SC*.Hα-helixtrans-61.1-43.9175.5-75.4174.8-179.3-171.30112.1R32 E33 V34 D40R32-K36 VanDerWaalsContact O-CG 3.31Å; R32-K36 WeakPolarHBondContact O-CG 3.34Å; E33-K36 PolarHBondContact O-N 3.06Å; V34-K36 VanDerWaalsContact C-N 3.27Å; V34-K36 PolarHBondContact O-N 3.33Å; K36-D40 WeakPolarHBondContact O-CB 3.31Å; K36-D40 PolarHBondContact O-N 2.82Å; K36-D40 VanDerWaalsContact O-N 3.12Å
37V98.4Very high97.6Very high3 Ų346.9 Ų46.92%0.01823%0.228CC..Hα-helixtrans-68.1-43.1178.5-179.20000110.4V34 C35 D40 V41 Y145 V149 I162V34-V37 PolarHBondContact O-N 3.06Å; V34-V37 VanDerWaalsContact O-N 3.13Å; C35-V37 VanDerWaalsContact C-N 3.34Å; C35-V37 PolarHBondContact O-N 3.08Å; V37-D40 PolarHBondContact O-N 3.33Å; V37-V41 WeakPolarHBondContact O-CG2 3.19Å; V37-V41 PolarHBondContact O-N 3.44Å; V37-Y145 HydrophobicContact CB-CD2 4.47Å; V37-Y145 HydrophobicContact CB-CG 4.41Å; V37-Y145 HydrophobicContact CG1-CG 4.23Å; V37-Y145 HydrophobicContact CG2-CD1 3.82Å; V37-Y145 HydrophobicContact CG2-CD2 4.24Å; V37-Y145 HydrophobicContact CG2-CE1 4.09Å; V37-Y145 HydrophobicContact CG2-CG 3.9Å; V37-V149 HydrophobicContact CG1-CB 3.86Å; V37-V149 HydrophobicContact CG1-CG1 4.23Å; V37-V149 HydrophobicContact CG1-CG2 4.05Å; V37-I162 HydrophobicContact CB-CD1 3.86Å; V37-I162 HydrophobicContact CB-CG1 4.44Å; V37-I162 HydrophobicContact CG1-CD1 3.89Å; V37-I162 HydrophobicContact CG1-CG1 4Å; V37-I162 HydrophobicContact CG1-CG2 4.44Å; V37-I162 HydrophobicContact CG2-CD1 4.45Å; V37-I162 HydrophobicContact CG2-CG2 4.07Å
38V98.4Very high97.6Very high0 Ų049.2 Ų49.20%024%0.239CC..Hα-helixtrans-60.9-46.2177.2174.40000111.1V34 C35 D40 V41 L42 L56 V76 L160 V168 I170V34-V38 HydrophobicContact CG1-CG2 4.16Å; V34-V38 WeakPolarHBondContact O-CG2 3.38Å; V34-V38 PolarHBondContact O-N 2.53Å; C35-V38 PolarHBondContact O-N 2.84Å; V38-D40 VanDerWaalsContact C-N 3.35Å; V38-D40 PolarHBondContact O-N 3.43Å; V38-V41 PolarHBondContact O-N 3.03Å; V38-L42 HydrophobicContact CG1-CD1 3.8Å; V38-L42 HydrophobicContact CG1-CG 4.23Å; V38-L42 WeakPolarHBondContact O-CB 3.26Å; V38-L42 VanDerWaalsContact O-CG 3.32Å; V38-L42 WeakPolarHBondContact O-CG 3.5Å; V38-L42 PolarHBondContact O-N 3.48Å; V38-L56 HydrophobicContact CB-CD2 4.02Å; V38-L56 HydrophobicContact CG1-CD2 3.79Å; V38-V76 HydrophobicContact CG1-CG1 4.47Å; V38-L160 HydrophobicContact CG2-CD1 4.35Å; V38-V168 HydrophobicContact CG2-CB 4.4Å; V38-V168 HydrophobicContact CG2-CG1 3.87Å; V38-V168 HydrophobicContact CG2-CG2 4.47Å; V38-I170 HydrophobicContact CG1-CD1 3.87Å; V38-I170 HydrophobicContact CG1-CG1 4.35Å
39S97.9Very high97.7Very high44 Ų4447.8 Ų47.831%0.30823%0.227SC..Hα-helixtrans-61.4-40.6177.6-66.30000112.7C35 L42 K43C35-S39 WeakPolarHBondContact O-CB 3.39Å; C35-S39 PolarHBondContact O-N 3.25Å; C35-S39 PolarHBondContact O-OG 2.79Å; C35-S39 VanDerWaalsContact O-OG 3.04Å; S39-L42 PolarHBondContact O-N 3.09Å; S39-K43 WeakPolarHBondContact O-CB 3.4Å; S39-K43 PolarHBondContact O-N 3.04Å
40D98.4Very high97.7Very high27 Ų2744.4 Ų44.414%0.14422%0.221CC..Hα-helixtrans-66.3-43177.4-17476.1000111.8K36 V37 V38 K43 E44 C143 S144 Y145K36-D40 WeakPolarHBondContact O-CB 3.31Å; K36-D40 PolarHBondContact O-N 2.82Å; K36-D40 VanDerWaalsContact O-N 3.12Å; V37-D40 PolarHBondContact O-N 3.33Å; V38-D40 VanDerWaalsContact C-N 3.35Å; V38-D40 PolarHBondContact O-N 3.43Å; D40-K43 PolarHBondContact O-N 2.89Å; D40-E44 PolarHBondContact O-N 3.32Å; D40-C143 WeakPolarHBondContact OD2-CB 3.31Å; D40-S144 WeakPolarHBondContact OD1-CB 3.35Å; D40-S144 PolarHBondContact OD1-OG 3.43Å; D40-S144 WeakPolarHBondContact OD2-CA 3.25Å; D40-S144 VanDerWaalsContact OD2-CB 3.26Å; D40-S144 WeakPolarHBondContact OD2-CB 3.47Å; D40-S144 PolarHBondContact OD2-N 3.2Å; D40-S144 PolarHBondContact OD2-OG 2.75Å; D40-Y145 HydrophobicContact CB-CD2 3.7Å; D40-Y145 HydrophobicContact CB-CE2 3.84Å; D40-Y145 WeakPolarHBondContact OD2-CD2 3.26Å; D40-Y145 PolarHBondContact OD2-N 2.86Å
41V98.7Very high97.6Very high0 Ų045.7 Ų45.70%022%0.224CC..Hα-helixtrans-62.2-46.2173.3171.90000111.3V37 V38 K43 E44 V45 V136 A139 V140 C143 V149 L160V37-V41 WeakPolarHBondContact O-CG2 3.19Å; V37-V41 PolarHBondContact O-N 3.44Å; V38-V41 PolarHBondContact O-N 3.03Å; V41-K43 VanDerWaalsContact C-N 3.28Å; V41-K43 PolarHBondContact O-N 2.69Å; V41-E44 PolarHBondContact O-N 3.45Å; V41-V45 WeakPolarHBondContact O-CG2 3.48Å; V41-V45 PolarHBondContact O-N 3.3Å; V41-V136 HydrophobicContact CG1-CG1 4.07Å; V41-A139 HydrophobicContact CG1-CB 4.08Å; V41-V140 HydrophobicContact CG1-CG1 4.14Å; V41-V140 HydrophobicContact CG2-CG1 4.2Å; V41-C143 HydrophobicContact CG2-CB 4.26Å; V41-V149 HydrophobicContact CG2-CG1 4.17Å; V41-L160 HydrophobicContact CB-CD1 4.37Å; V41-L160 HydrophobicContact CG1-CD1 4.27Å; V41-L160 HydrophobicContact CG2-CD1 4.26Å
42L98.4Very high97.6Very high0 Ų044.6 Ų44.60%022%0.218CC..Hα-helixtrans-65.6-31.4180-72.8176.8000112.5V38 S39 V45 E46 L78 F132 I170V38-L42 HydrophobicContact CG1-CD1 3.8Å; V38-L42 HydrophobicContact CG1-CG 4.23Å; V38-L42 WeakPolarHBondContact O-CB 3.26Å; V38-L42 VanDerWaalsContact O-CG 3.32Å; V38-L42 WeakPolarHBondContact O-CG 3.5Å; V38-L42 PolarHBondContact O-N 3.48Å; S39-L42 PolarHBondContact O-N 3.09Å; L42-V45 WeakPolarHBondContact O-CB 3.41Å; L42-V45 PolarHBondContact O-N 2.97Å; L42-E46 WeakPolarHBondContact O-CB 3.34Å; L42-E46 PolarHBondContact O-N 2.82Å; L42-L78 HydrophobicContact CD1-CD1 4.12Å; L42-L78 HydrophobicContact CD2-CD1 4.49Å; L42-L78 HydrophobicContact CD2-CD2 4.19Å; L42-F132 HydrophobicContact CD2-CE2 4.02Å; L42-F132 HydrophobicContact CD2-CZ 3.75Å; L42-I170 HydrophobicContact CD2-CD1 4.4Å; L42-I170 HydrophobicContact CD2-CG2 4.44Å
43K98.1Very high97.6Very high132 Ų13242.9 Ų42.957%0.57422%0.217SC*.Hα-helixtrans-63.5-42.9173.6-173.3-179.2176.8-173.40111.7S39 D40 V41 V45 E46 V47S39-K43 WeakPolarHBondContact O-CB 3.4Å; S39-K43 PolarHBondContact O-N 3.04Å; D40-K43 PolarHBondContact O-N 2.89Å; V41-K43 VanDerWaalsContact C-N 3.28Å; V41-K43 PolarHBondContact O-N 2.69Å; K43-V45 VanDerWaalsContact C-N 3.29Å; K43-V45 PolarHBondContact O-N 3.38Å; K43-E46 PolarHBondContact O-N 3.46Å; K43-V47 WeakPolarHBondContact O-CG2 3.37Å; K43-V47 PolarHBondContact O-N 3.35Å
44E98.4Very high97.6Very high50 Ų5042.4 Ų42.423%0.23422%0.219CC..Hα-helixtrans-68.4-28.3174.7-69.2-55.2133.200113D40 V41 Q48 A139 C143D40-E44 PolarHBondContact O-N 3.32Å; V41-E44 PolarHBondContact O-N 3.45Å; E44-Q48 PolarHBondContact O-NE2 3.45Å; E44-A139 HydrophobicContact CB-CB 3.78Å; E44-C143 HydrophobicContact CG-CB 3.96Å
45V98.6Very high97.3Very high0 Ų043.9 Ų43.90%023%0.229CC..Hα-helixtrans-66.6-47.3169.2171.70000110.5V41 L42 K43 V47 Q48 E49 F52 F132 L135 V136 A139V41-V45 WeakPolarHBondContact O-CG2 3.48Å; V41-V45 PolarHBondContact O-N 3.3Å; L42-V45 WeakPolarHBondContact O-CB 3.41Å; L42-V45 PolarHBondContact O-N 2.97Å; K43-V45 VanDerWaalsContact C-N 3.29Å; K43-V45 PolarHBondContact O-N 3.38Å; V45-V47 VanDerWaalsContact C-N 3.31Å; V45-V47 PolarHBondContact O-N 2.87Å; V45-Q48 CarbonylContact O-C 3.57Å; V45-Q48 PolarHBondContact O-N 2.76Å; V45-E49 PolarHBondContact O-N 3.34Å; V45-F52 HydrophobicContact CG1-CB 3.85Å; V45-F52 HydrophobicContact CG1-CD2 4.39Å; V45-F52 HydrophobicContact CG1-CG 4.41Å; V45-F132 HydrophobicContact CG1-CD2 4.34Å; V45-F132 HydrophobicContact CG1-CE2 4.08Å; V45-L135 HydrophobicContact CG1-CB 3.98Å; V45-L135 HydrophobicContact CG1-CD1 4.29Å; V45-L135 HydrophobicContact CG2-CB 4.34Å; V45-V136 HydrophobicContact CG2-CB 4.46Å; V45-V136 HydrophobicContact CG2-CG2 3.71Å; V45-A139 HydrophobicContact CG2-CB 3.6Å
46E97.8Very high97.1Very high70 Ų7044.5 Ų44.533%0.32723%0.232SC..Hα-helixtrans-61.8-36.7-178.6-170.8-179.6156.500112.5L42 K43 Q48 E49 P50L42-E46 WeakPolarHBondContact O-CB 3.34Å; L42-E46 PolarHBondContact O-N 2.82Å; K43-E46 PolarHBondContact O-N 3.46Å; E46-Q48 PolarHBondContact O-N 2.86Å; E46-E49 CarbonylContact O-C 3.54Å; E46-E49 VanDerWaalsContact O-C 3.25Å; E46-E49 PolarHBondContact O-N 2.89Å; E46-P50 WeakPolarHBondContact O-CA 3.46Å
47V97.6Very high96.7Very high105 Ų10540.2 Ų40.264%0.63622%0.219SC*.Hα-helixtrans-57.3-35.5173.2169.90000111.9K43 V45K43-V47 WeakPolarHBondContact O-CG2 3.37Å; K43-V47 PolarHBondContact O-N 3.35Å; V45-V47 VanDerWaalsContact C-N 3.31Å; V45-V47 PolarHBondContact O-N 2.87Å
48Q97Very high96.3Very high60 Ų6044.3 Ų44.328%0.2824%0.237SC..Hα-helixtrans-89.7-29.6-179.7-66.3174.492.800112.6E44 V45 E46 L135 Q138E44-Q48 PolarHBondContact O-NE2 3.45Å; V45-Q48 CarbonylContact O-C 3.57Å; V45-Q48 PolarHBondContact O-N 2.76Å; E46-Q48 PolarHBondContact O-N 2.86Å; Q48-L135 HydrophobicContact CB-CD2 4.03Å; Q48-Q138 VanDerWaalsContact OE1-OE1 3.11Å
49E97.5Very high95.7Very high22 Ų2250 Ų5010%0.10327%0.266CS..  trans-146.891.9-177.1-177.655.8-102.500110.4V45 E46 R51 F52 L135V45-E49 PolarHBondContact O-N 3.34Å; E46-E49 CarbonylContact O-C 3.54Å; E46-E49 VanDerWaalsContact O-C 3.25Å; E46-E49 PolarHBondContact O-N 2.89Å; E49-R51 HydrophobicContact CG-CB 4.44Å; E49-R51 PolarHBondContact O-N 3.24Å; E49-R51 IonicContact OE1-CZ 3.97Å; E49-R51 IonicContact OE1-NE 3.17Å; E49-R51 PolarHBondContact OE1-NE 3.03Å; E49-R51 IonicContact OE1-NH2 2.75Å; E49-R51 PolarHBondContact OE1-NH2 3.12Å; E49-R51 IonicContact OE2-CZ 2.68Å; E49-R51 IonicContact OE2-NE 3.28Å; E49-R51 IonicContact OE2-NH2 3.98Å; E49-R51 PolarHBondContact OE2-NH2 2.93Å; E49-F52 HydrophobicContact CB-CD2 3.99Å; E49-F52 HydrophobicContact CG-CD2 3.36Å; E49-F52 HydrophobicContact CG-CE2 3.71Å; E49-F52 HydrophobicContact CG-CG 4.48Å; E49-F52 PolarHBondContact O-N 3.09Å; E49-F52 VanDerWaalsContact O-N 3.09Å; E49-L135 HydrophobicContact CB-CD1 3.59Å; E49-L135 HydrophobicContact CB-CD2 4.16Å; E49-L135 HydrophobicContact CG-CD1 3.88Å
50P96.8Very high95Very high88 Ų8855.6 Ų55.657%0.57129%0.292SS*.THydrogen-bonded Turntrans-63.3-7.8-174.2-25.234.9000115.1E46 I53E46-P50 WeakPolarHBondContact O-CA 3.46Å; P50-I53 VanDerWaalsContact O-CG1 3.25Å; P50-I53 WeakPolarHBondContact O-CG1 3.39Å
51R96.4Very high94.2Very high43 Ų4360.2 Ų60.216%0.16232%0.317CS..THydrogen-bonded Turntrans-77.1-21.3175.6-66.1178.3-70.41712113.2E49 I53 L112 W113 E115E49-R51 HydrophobicContact CG-CB 4.44Å; E49-R51 PolarHBondContact O-N 3.24Å; E49-R51 IonicContact OE1-CZ 3.97Å; E49-R51 IonicContact OE1-NE 3.17Å; E49-R51 PolarHBondContact OE1-NE 3.03Å; E49-R51 IonicContact OE1-NH2 2.75Å; E49-R51 PolarHBondContact OE1-NH2 3.12Å; E49-R51 IonicContact OE2-CZ 2.68Å; E49-R51 IonicContact OE2-NE 3.28Å; E49-R51 IonicContact OE2-NH2 3.98Å; E49-R51 PolarHBondContact OE2-NH2 2.93Å; R51-I53 PolarHBondContact O-N 3.47Å; R51-L112 VanDerWaalsContact CD-O 3.31Å; R51-L112 WeakPolarHBondContact CD-O 3.44Å; R51-L112 PolarHBondContact NH1-O 3.01Å; R51-W113 HydrophobicContact CB-CH2 3.69Å; R51-W113 HydrophobicContact CB-CZ2 4.33Å; R51-W113 HydrophobicContact CB-CZ3 4.02Å; R51-E115 IonicContact CZ-OE1 2.69Å; R51-E115 VanDerWaalsContact NH1-CD 3.3Å; R51-E115 IonicContact NH1-OE1 3.23Å; R51-E115 PolarHBondContact NH1-OE1 3Å; R51-E115 IonicContact NH1-OE2 3.05Å; R51-E115 PolarHBondContact NH1-OE2 2.98Å; R51-E115 VanDerWaalsContact NH1-OE2 3.09Å; R51-E115 IonicContact NH2-OE1 2.95Å; R51-E115 PolarHBondContact NH2-OE1 3.38Å
52F97.3Very high93.6Very high0 Ų068.7 Ų68.70%035%0.349CS..SBendtrans-95.967.2178.5-69.5-68.5000111.3V45 E49 L78 L80 W113 I128 F132 L135V45-F52 HydrophobicContact CG1-CB 3.85Å; V45-F52 HydrophobicContact CG1-CD2 4.39Å; V45-F52 HydrophobicContact CG1-CG 4.41Å; E49-F52 HydrophobicContact CB-CD2 3.99Å; E49-F52 HydrophobicContact CG-CD2 3.36Å; E49-F52 HydrophobicContact CG-CE2 3.71Å; E49-F52 HydrophobicContact CG-CG 4.48Å; E49-F52 PolarHBondContact O-N 3.09Å; E49-F52 VanDerWaalsContact O-N 3.09Å; F52-L78 HydrophobicContact CD1-CD2 4.16Å; F52-L80 HydrophobicContact CD1-CD2 3.57Å; F52-L80 HydrophobicContact CE1-CD2 3.74Å; F52-W113 HydrophobicContact CD1-CH2 4.33Å; F52-W113 HydrophobicContact CE1-CH2 4.06Å; F52-W113 HydrophobicContact CE1-CZ3 4Å; F52-W113 HydrophobicContact CE2-CZ3 4.34Å; F52-W113 HydrophobicContact CZ-CH2 4.32Å; F52-W113 AromaticContact CZ-CZ3 3.83Å; F52-W113 HydrophobicContact CZ-CZ3 3.83Å; F52-I128 HydrophobicContact CE1-CG2 4.19Å; F52-I128 HydrophobicContact CZ-CG2 4.29Å; F52-F132 HydrophobicContact CB-CD2 4.39Å; F52-F132 HydrophobicContact CB-CE2 4.35Å; F52-F132 AromaticContact CD1-CD2 3.64Å; F52-F132 HydrophobicContact CD1-CD2 3.64Å; F52-F132 HydrophobicContact CD1-CE2 4.13Å; F52-F132 HydrophobicContact CD1-CG 4.37Å; F52-F132 HydrophobicContact CD2-CD2 4.13Å; F52-F132 HydrophobicContact CE1-CB 4.04Å; F52-F132 AromaticContact CE1-CD2 3.85Å; F52-F132 HydrophobicContact CE1-CD2 3.85Å; F52-F132 HydrophobicContact CE1-CG 4.17Å; F52-F132 HydrophobicContact CE2-CB 4.46Å; F52-F132 HydrophobicContact CE2-CD2 4.34Å; F52-F132 AromaticContact CG-CD2 3.8Å; F52-F132 HydrophobicContact CG-CD2 3.8Å; F52-F132 HydrophobicContact CG-CE2 4.22Å; F52-F132 HydrophobicContact CZ-CB 3.94Å; F52-F132 HydrophobicContact CZ-CD2 4.21Å; F52-F132 HydrophobicContact CZ-CG 4.46Å; F52-L135 HydrophobicContact CD2-CD1 3.65Å; F52-L135 HydrophobicContact CE2-CD1 3.62Å
53I95.9Very high93.3Very high76 Ų7670.3 Ų70.339%0.3936%0.356SS..  trans-77.5133179.9-53.1167.7000109.5P50 R51 S55 L78P50-I53 VanDerWaalsContact O-CG1 3.25Å; P50-I53 WeakPolarHBondContact O-CG1 3.39Å; R51-I53 PolarHBondContact O-N 3.47Å; I53-S55 PolarHBondContact O-N 3.46Å; I53-S55 VanDerWaalsContact O-N 3.17Å; I53-L78 VanDerWaalsContact O-CD1 3.3Å; I53-L78 WeakPolarHBondContact O-CD1 3.42Å
54S94.8Very high93Very high35 Ų3567.7 Ų67.725%0.24535%0.346CS..  trans-65.1114.2176.3177.10000111.5L56S54-L56 VanDerWaalsContact C-N 3.28Å; S54-L56 PolarHBondContact OG-N 2.89Å
55S92.5Very high92.7Very high30 Ų3065.7 Ų65.721%0.2134%0.339CS..  trans-85.2-1.4168.639.40000113.3I53 S57 Y79I53-S55 PolarHBondContact O-N 3.46Å; I53-S55 VanDerWaalsContact O-N 3.17Å; S55-S57 PolarHBondContact O-N 3.27Å; S55-Y79 PolarHBondContact OG-N 2.9Å
56L92.7Very high92.6Very high16 Ų1667.2 Ų67.28%0.08435%0.347CS..  trans-69.596.2178.8-171.468.9000110.2C35 V38 S54 F63 V76C35-L56 HydrophobicContact CB-CD2 3.9Å; V38-L56 HydrophobicContact CB-CD2 4.02Å; V38-L56 HydrophobicContact CG1-CD2 3.79Å; S54-L56 VanDerWaalsContact C-N 3.28Å; S54-L56 PolarHBondContact OG-N 2.89Å; L56-F63 HydrophobicContact CD1-CB 3.93Å; L56-F63 HydrophobicContact CD1-CD1 3.89Å; L56-F63 HydrophobicContact CD1-CG 4.29Å; L56-F63 HydrophobicContact CG-CD1 4Å; L56-V76 HydrophobicContact CD1-CG1 3.95Å; L56-V76 HydrophobicContact CD1-CG2 4.35Å
57S89.4Confident92.6Very high44 Ų4466.2 Ų66.231%0.30834%0.342SS..  trans-126.5143.8177.663.40000110.6S55 F63 E64S55-S57 PolarHBondContact O-N 3.27Å; S57-F63 WeakPolarHBondContact O-CA 3.31Å; S57-E64 PolarHBondContact O-N 3.42Å; S57-E64 VanDerWaalsContact O-N 3.14Å
58E90Very high92.5Very high88 Ų8863.1 Ų63.141%0.41132%0.323SS..EExtended strand (participates in β ladder)trans-88.8114.7174.3-169.6172.3-167.600109.1R32 R62 F63R32-E58 IonicContact NE-OE1 3.73Å; R32-E58 IonicContact NH2-OE1 2.69Å; E58-R62 CarbonylContact C-O 3.53Å; E58-R62 WeakPolarHBondContact CA-O 3.25Å; E58-F63 HydrophobicContact CB-CD1 4.19Å; E58-F63 HydrophobicContact CB-CE1 3.82Å; E58-F63 HydrophobicContact CB-CE2 4.35Å; E58-F63 HydrophobicContact CB-CZ 3.91Å; E58-F63 HydrophobicContact CG-CE1 4.49Å; E58-F63 HydrophobicContact CG-CE2 4.14Å; E58-F63 HydrophobicContact CG-CZ 4.12Å
59M84.6Confident92.5Very high121 Ų12162.9 Ų62.960%0.59632%0.323SS*.EExtended strand (participates in β ladder)trans-126134.2172.3-66.3-163.8168.300109N61 R62M59-N61 VanDerWaalsContact C-N 3.28Å; M59-N61 PolarHBondContact O-N 3.16Å; M59-R62 PolarHBondContact N-O 3.42Å; M59-R62 CarbonylContact O-C 3.57Å; M59-R62 PolarHBondContact O-N 3.32Å
60D84.2Confident92.4Very high160 Ų16062 Ų6286%0.85632%0.32SS*.THydrogen-bonded Turntrans50.941.9-179-59.4-34.7000114.4R62D60-R62 PolarHBondContact O-N 3.3Å
61N81.1Confident92.3Very high125 Ų12560.2 Ų60.267%0.66831%0.308SS*.THydrogen-bonded Turntrans5925.1-175.1-65.5-65.4000114.5M59M59-N61 VanDerWaalsContact C-N 3.28Å; M59-N61 PolarHBondContact O-N 3.16Å
62R87.2Confident92.4Very high178 Ų17860.6 Ų60.667%0.67232%0.315SS*.EExtended strand (participates in β ladder)trans-133.4146176-62-174123.4-163.6-6.7109.9E58 M59 D60E58-R62 CarbonylContact C-O 3.53Å; E58-R62 WeakPolarHBondContact CA-O 3.25Å; M59-R62 PolarHBondContact N-O 3.42Å; M59-R62 CarbonylContact O-C 3.57Å; M59-R62 PolarHBondContact O-N 3.32Å; D60-R62 PolarHBondContact O-N 3.3Å
63F92.2Very high92.4Very high34 Ų3463.2 Ų63.215%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-89.4121.3173.5-71.1-92.4000108.9I31 R32 C35 L56 S57 E58 L66I31-F63 HydrophobicContact CG2-CD2 3.38Å; I31-F63 HydrophobicContact CG2-CE2 3.66Å; I31-F63 HydrophobicContact CG2-CG 4.29Å; R32-F63 HydrophobicContact CG-CE2 4.41Å; C35-F63 HydrophobicContact CB-CD1 4.01Å; C35-F63 HydrophobicContact CB-CE1 3.6Å; C35-F63 HydrophobicContact CB-CE2 4.36Å; C35-F63 HydrophobicContact CB-CZ 3.81Å; L56-F63 HydrophobicContact CD1-CB 3.93Å; L56-F63 HydrophobicContact CD1-CD1 3.89Å; L56-F63 HydrophobicContact CD1-CG 4.29Å; L56-F63 HydrophobicContact CG-CD1 4Å; S57-F63 WeakPolarHBondContact O-CA 3.31Å; E58-F63 HydrophobicContact CB-CD1 4.19Å; E58-F63 HydrophobicContact CB-CE1 3.82Å; E58-F63 HydrophobicContact CB-CE2 4.35Å; E58-F63 HydrophobicContact CB-CZ 3.91Å; E58-F63 HydrophobicContact CG-CE1 4.49Å; E58-F63 HydrophobicContact CG-CE2 4.14Å; E58-F63 HydrophobicContact CG-CZ 4.12Å; F63-L66 HydrophobicContact CB-CB 3.82Å; F63-L66 HydrophobicContact CB-CD1 4.19Å; F63-L66 PolarHBondContact O-N 3.4Å
64E90.7Very high92.5Very high76 Ų7659.7 Ų59.736%0.35531%0.309SS..THydrogen-bonded Turntrans-62.3140.1173.9-170.3177.3-179.900109.7S57 L66 Y79 K175S57-E64 PolarHBondContact O-N 3.42Å; S57-E64 VanDerWaalsContact O-N 3.14Å; E64-L66 PolarHBondContact O-N 2.78Å; E64-Y79 HydrophobicContact CG-CE2 4.27Å; E64-K175 IonicContact OE1-NZ 3.24Å; E64-K175 PolarHBondContact OE1-NZ 3.13Å
65G92.4Very high92.7Very high9 Ų958.5 Ų58.59%0.09330%0.3CS..THydrogen-bonded Turntrans73.91.9-179.600000115.2V77G65-V77 WeakPolarHBondContact O-CB 3.42Å; G65-V77 WeakPolarHBondContact O-CG2 3.5Å; G65-V77 PolarHBondContact O-N 3.06Å
66L96.9Very high93Very high31 Ų3157.2 Ų57.216%0.16229%0.29CS..EExtended strand (participates in β ladder)trans-92.9125.5178.2-173.8147.5000112.6I31 C35 F63 E64 V68 F74 E75 V76I31-L66 HydrophobicContact CD1-CD2 3.7Å; I31-L66 HydrophobicContact CG1-CD1 4.45Å; I31-L66 HydrophobicContact CG1-CD2 4.04Å; I31-L66 HydrophobicContact CG2-CD1 3.83Å; I31-L66 HydrophobicContact CG2-CD2 4.39Å; C35-L66 WeakPolarHBondContact SG-CD1 3.32Å; F63-L66 HydrophobicContact CB-CB 3.82Å; F63-L66 HydrophobicContact CB-CD1 4.19Å; F63-L66 PolarHBondContact O-N 3.4Å; E64-L66 PolarHBondContact O-N 2.78Å; L66-V68 HydrophobicContact CD2-CG2 4.04Å; L66-F74 HydrophobicContact CD2-CD1 4.41Å; L66-E75 CarbonylContact C-O 3.6Å; L66-E75 WeakPolarHBondContact CA-O 3.32Å; L66-V76 HydrophobicContact CD1-CG2 4.18Å; L66-V76 HydrophobicContact CG-CG2 4.49Å
67E96.6Very high93.3Very high50 Ų5056.6 Ų56.623%0.23429%0.287CS..EExtended strand (participates in β ladder)trans-112.5139.1172.8-60.9-157.6141.700112.3F74 E75 Q233 A235E67-F74 WeakPolarHBondContact O-CA 3.43Å; E67-E75 HydrophobicContact CB-CB 4.39Å; E67-E75 PolarHBondContact N-O 3.28Å; E67-E75 PolarHBondContact O-N 3.29Å; E67-Q233 PolarHBondContact OE1-NE2 2.84Å; E67-Q233 VanDerWaalsContact OE1-NE2 3.11Å; E67-Q233 PolarHBondContact OE2-NE2 3.01Å; E67-Q233 VanDerWaalsContact OE2-NE2 3.16Å; E67-A235 VanDerWaalsContact OE1-CB 3.24Å; E67-A235 WeakPolarHBondContact OE1-CB 3.24Å
68V97.3Very high93.7Very high39 Ų3954.5 Ų54.524%0.23627%0.273CS..EExtended strand (participates in β ladder)trans-98.3106177.3-179.40000109.6I27 I31 L66 S70 F74 N271I27-V68 HydrophobicContact CD1-CG1 4.09Å; I27-V68 HydrophobicContact CG2-CG1 4.04Å; I27-V68 HydrophobicContact CG2-CG2 3.98Å; I31-V68 HydrophobicContact CD1-CG2 3.87Å; L66-V68 HydrophobicContact CD2-CG2 4.04Å; V68-S70 WeakPolarHBondContact CG1-O 3.39Å; V68-F74 HydrophobicContact CG1-CE1 4.26Å; V68-F74 HydrophobicContact CG2-CD1 4.17Å; V68-F74 HydrophobicContact CG2-CE1 4.19Å; V68-N271 PolarHBondContact O-ND2 2.99Å
69I95.6Very high94Very high56 Ų5651.7 Ų51.729%0.28726%0.259SS..SBendtrans-81.7-48.1177.7-57.6171.1000109.7E73 E75 R258 N271I69-E73 HydrophobicContact CB-CB 4.05Å; I69-E73 WeakPolarHBondContact CB-O 3.3Å; I69-E73 HydrophobicContact CG2-CB 4.38Å; I69-E73 PolarHBondContact N-O 3.14Å; I69-E75 HydrophobicContact CD1-CB 4.09Å; I69-R258 VanDerWaalsContact O-CZ 3.26Å; I69-R258 PolarHBondContact O-NH1 3.28Å; I69-R258 PolarHBondContact O-NH2 3.09Å; I69-N271 PolarHBondContact O-ND2 2.79Å; I69-N271 VanDerWaalsContact O-ND2 3.13Å
70S94.9Very high94.6Very high4 Ų446.7 Ų46.73%0.02823%0.234CC..SBendtrans-146.5174.9175.681.50000109.9V68 T72 E73V68-S70 WeakPolarHBondContact CG1-O 3.39Å; S70-T72 PolarHBondContact O-N 3.04Å; S70-T72 VanDerWaalsContact O-N 3.09Å; S70-T72 PolarHBondContact OG-N 2.85Å; S70-T72 PolarHBondContact OG-OG1 3.36Å; S70-E73 WeakPolarHBondContact CB-OE1 3.43Å; S70-E73 PolarHBondContact N-O 2.99Å; S70-E73 PolarHBondContact O-N 2.94Å; S70-E73 VanDerWaalsContact O-O 3.09Å; S70-E73 VanDerWaalsContact OG-CB 3.25Å; S70-E73 WeakPolarHBondContact OG-CB 3.32Å; S70-E73 WeakPolarHBondContact OG-CG 3.47Å; S70-E73 PolarHBondContact OG-N 3.26Å; S70-E73 PolarHBondContact OG-OE1 3.44Å
71P96.4Very high94.9Very high50 Ų5042.4 Ų42.433%0.32521%0.211SC..SBendtrans-58.5-18.1174.6-25.936.6000114.3I27 D259I27-P71 HydrophobicContact CG1-CB 4.42Å; P71-D259 WeakPolarHBondContact CD-OD2 3.43Å; P71-D259 HydrophobicContact CG-CB 4.26Å; P71-D259 VanDerWaalsContact CG-OD2 3.31Å; P71-D259 WeakPolarHBondContact CG-OD2 3.48Å
72T97.2Very high94.9Very high50 Ų5044.8 Ų44.831%0.30722%0.218SC..SBendtrans-122.6-1.1-178.450.60000113.7S70 Y166 V167S70-T72 PolarHBondContact O-N 3.04Å; S70-T72 VanDerWaalsContact O-N 3.09Å; S70-T72 PolarHBondContact OG-N 2.85Å; S70-T72 PolarHBondContact OG-OG1 3.36Å; T72-Y166 HydrophobicContact CG2-CD1 4.07Å; T72-Y166 HydrophobicContact CG2-CE1 4.22Å; T72-Y166 CarbonylContact O-C 3.52Å; T72-Y166 VanDerWaalsContact O-CA 3.31Å; T72-Y166 WeakPolarHBondContact O-CA 3.36Å; T72-V167 PolarHBondContact O-N 3.38Å
73E98Very high94.6Very high56 Ų5638.6 Ų38.626%0.26220%0.198SC..EExtended strand (participates in β ladder)trans-127.7130.9-177.7-63.8164-87.200111.5I69 S70 V167I69-E73 HydrophobicContact CB-CB 4.05Å; I69-E73 WeakPolarHBondContact CB-O 3.3Å; I69-E73 HydrophobicContact CG2-CB 4.38Å; I69-E73 PolarHBondContact N-O 3.14Å; S70-E73 WeakPolarHBondContact CB-OE1 3.43Å; S70-E73 PolarHBondContact N-O 2.99Å; S70-E73 PolarHBondContact O-N 2.94Å; S70-E73 VanDerWaalsContact O-O 3.09Å; S70-E73 VanDerWaalsContact OG-CB 3.25Å; S70-E73 WeakPolarHBondContact OG-CB 3.32Å; S70-E73 WeakPolarHBondContact OG-CG 3.47Å; S70-E73 PolarHBondContact OG-N 3.26Å; S70-E73 PolarHBondContact OG-OE1 3.44Å; E73-V167 VanDerWaalsContact CA-O 3.3Å; E73-V167 WeakPolarHBondContact CA-O 3.29Å; E73-V167 HydrophobicContact CG-CB 4.3Å
74F98.4Very high94.3Very high2 Ų239.9 Ų39.91%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-134.8151.8-174.5-53-85.4000110.6I27 T30 I31 V34 L66 E67 V68 V167 V168 Q169I27-F74 HydrophobicContact CG2-CE1 4.12Å; T30-F74 HydrophobicContact CG2-CE2 3.82Å; T30-F74 HydrophobicContact CG2-CZ 3.7Å; I31-F74 HydrophobicContact CD1-CE1 4.26Å; I31-F74 HydrophobicContact CG1-CD1 4.06Å; I31-F74 HydrophobicContact CG1-CE1 3.61Å; I31-F74 HydrophobicContact CG1-CZ 4.32Å; V34-F74 HydrophobicContact CG1-CD2 4.45Å; V34-F74 HydrophobicContact CG2-CD2 4.39Å; V34-F74 HydrophobicContact CG2-CE2 4.23Å; L66-F74 HydrophobicContact CD2-CD1 4.41Å; E67-F74 WeakPolarHBondContact O-CA 3.43Å; V68-F74 HydrophobicContact CG1-CE1 4.26Å; V68-F74 HydrophobicContact CG2-CD1 4.17Å; V68-F74 HydrophobicContact CG2-CE1 4.19Å; F74-V167 PolarHBondContact N-O 3.49Å; F74-V168 HydrophobicContact CB-CG1 4.35Å; F74-V168 WeakPolarHBondContact O-CA 3.45Å; F74-Q169 PolarHBondContact O-N 3.43Å
75E98.5Very high94.3Very high10 Ų1037.5 Ų37.55%0.04721%0.212CC..EExtended strand (participates in β ladder)trans-118.8127.3166.5-177.8171-167.400108.2L66 E67 I69 Q169 T171 K213L66-E75 CarbonylContact C-O 3.6Å; L66-E75 WeakPolarHBondContact CA-O 3.32Å; E67-E75 HydrophobicContact CB-CB 4.39Å; E67-E75 PolarHBondContact N-O 3.28Å; E67-E75 PolarHBondContact O-N 3.29Å; I69-E75 HydrophobicContact CD1-CB 4.09Å; E75-Q169 CarbonylContact C-O 3.59Å; E75-Q169 WeakPolarHBondContact CA-O 3.38Å; E75-Q169 HydrophobicContact CG-CB 4.44Å; E75-T171 WeakPolarHBondContact OE1-CB 3.43Å; E75-T171 PolarHBondContact OE1-OG1 3.02Å; E75-K213 VanDerWaalsContact CD-NZ 3.34Å; E75-K213 IonicContact OE1-NZ 3.07Å; E75-K213 PolarHBondContact OE1-NZ 3.39Å; E75-K213 IonicContact OE2-NZ 3.15Å; E75-K213 PolarHBondContact OE2-NZ 3.33Å
76V98.5Very high94.4Very high2 Ų237.4 Ų37.41%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-107113.8172172.70000107.2V38 L56 L66 L78 V168 Q169 I170 T171V38-V76 HydrophobicContact CG1-CG1 4.47Å; L56-V76 HydrophobicContact CD1-CG1 3.95Å; L56-V76 HydrophobicContact CD1-CG2 4.35Å; L66-V76 HydrophobicContact CD1-CG2 4.18Å; L66-V76 HydrophobicContact CG-CG2 4.49Å; V76-L78 PolarHBondContact O-N 3.47Å; V76-V168 HydrophobicContact CG2-CG1 3.88Å; V76-Q169 PolarHBondContact N-O 3.09Å; V76-I170 CarbonylContact O-C 3.46Å; V76-I170 VanDerWaalsContact O-CA 3.32Å; V76-I170 WeakPolarHBondContact O-CA 3.43Å; V76-T171 PolarHBondContact O-N 3.09Å
77V98.3Very high94.2Very high3 Ų340.2 Ų40.22%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-79.4112.9173.1-178.10000108.2G65 Y79 T171 A173 L211G65-V77 WeakPolarHBondContact O-CB 3.42Å; G65-V77 WeakPolarHBondContact O-CG2 3.5Å; G65-V77 PolarHBondContact O-N 3.06Å; V77-Y79 HydrophobicContact CG1-CD1 4.04Å; V77-Y79 HydrophobicContact CG1-CE1 3.64Å; V77-Y79 HydrophobicContact CG1-CE2 4.4Å; V77-Y79 PolarHBondContact O-N 3.26Å; V77-T171 WeakPolarHBondContact CA-O 3.34Å; V77-A173 HydrophobicContact CG1-CB 3.39Å; V77-L211 HydrophobicContact CG2-CD2 4.42Å
78L98.3Very high94.1Very high1 Ų139.8 Ų39.81%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-8996.7175.9-179.968000108.8L42 F52 I53 V76 L80 F132 I170 T171 P172 A173L42-L78 HydrophobicContact CD1-CD1 4.12Å; L42-L78 HydrophobicContact CD2-CD1 4.49Å; L42-L78 HydrophobicContact CD2-CD2 4.19Å; F52-L78 HydrophobicContact CD1-CD2 4.16Å; I53-L78 VanDerWaalsContact O-CD1 3.3Å; I53-L78 WeakPolarHBondContact O-CD1 3.42Å; V76-L78 PolarHBondContact O-N 3.47Å; L78-L80 PolarHBondContact O-N 3.25Å; L78-F132 HydrophobicContact CD2-CD2 4.36Å; L78-F132 HydrophobicContact CD2-CE1 4.27Å; L78-F132 HydrophobicContact CD2-CE2 3.56Å; L78-F132 HydrophobicContact CD2-CZ 3.52Å; L78-I170 HydrophobicContact CB-CG2 4Å; L78-T171 PolarHBondContact N-O 3.32Å; L78-P172 CarbonylContact O-C 3.56Å; L78-P172 WeakPolarHBondContact O-CA 3.21Å; L78-A173 PolarHBondContact O-N 2.83Å
79Y97.6Very high94Very high29 Ų2940.4 Ų40.411%0.11423%0.225CC..EExtended strand (participates in β ladder)trans-66.4116174.7-64-62.6000111S55 E64 V77 A173 K175 N209 E236S55-Y79 PolarHBondContact OG-N 2.9Å; E64-Y79 HydrophobicContact CG-CE2 4.27Å; V77-Y79 HydrophobicContact CG1-CD1 4.04Å; V77-Y79 HydrophobicContact CG1-CE1 3.64Å; V77-Y79 HydrophobicContact CG1-CE2 4.4Å; V77-Y79 PolarHBondContact O-N 3.26Å; Y79-A173 WeakPolarHBondContact CA-O 3.14Å; Y79-A173 HydrophobicContact CD1-CB 4.41Å; Y79-K175 HydrophobicContact CD1-CB 3.92Å; Y79-K175 HydrophobicContact CE1-CB 3.99Å; Y79-K175 HydrophobicContact CE1-CD 4.31Å; Y79-K175 HydrophobicContact CE1-CG 4.37Å; Y79-N209 HydrophobicContact CE1-CB 4.5Å; Y79-N209 WeakPolarHBondContact CE1-OD1 3.22Å; Y79-N209 PolarHBondContact OH-ND2 3.08Å; Y79-E236 PolarHBondContact OH-OE1 3.45Å
80L96.4Very high93.9Very high15 Ų1538.4 Ų38.48%0.07922%0.215CC..PPolyproline II helixtrans-77.3160.3172.5-56.9-179.1000110.2F52 L78 W113 I128 P172 A173 F174F52-L80 HydrophobicContact CD1-CD2 3.57Å; F52-L80 HydrophobicContact CE1-CD2 3.74Å; L78-L80 PolarHBondContact O-N 3.25Å; L80-W113 HydrophobicContact CB-CH2 4.48Å; L80-W113 HydrophobicContact CB-CZ2 3.88Å; L80-W113 HydrophobicContact CD1-CH2 4.15Å; L80-W113 HydrophobicContact CD1-CZ2 4.03Å; L80-W113 HydrophobicContact CD2-CH2 3.92Å; L80-W113 HydrophobicContact CD2-CZ2 4.18Å; L80-W113 HydrophobicContact CG-CH2 4.41Å; L80-W113 HydrophobicContact CG-CZ2 4.25Å; L80-I128 HydrophobicContact CD1-CD1 4.5Å; L80-I128 HydrophobicContact CD1-CG2 4.15Å; L80-P172 HydrophobicContact CD1-CB 4.16Å; L80-P172 HydrophobicContact CD2-CB 4.4Å; L80-P172 HydrophobicContact CG-CB 4.4Å; L80-A173 PolarHBondContact N-O 2.82Å; L80-F174 HydrophobicContact CB-CD1 4.06Å; L80-F174 HydrophobicContact CB-CE1 3.73Å; L80-F174 HydrophobicContact CB-CZ 4.23Å; L80-F174 HydrophobicContact CD1-CE1 4.22Å; L80-F174 HydrophobicContact CD1-CE2 4.17Å; L80-F174 HydrophobicContact CD1-CZ 3.86Å
81N90.1Very high93.4Very high70 Ų7043.2 Ų43.237%0.37424%0.24SC..SBendtrans-51.8153.4171.2-77.4-35.5000111.6L112 F174N81-L112 HydrophobicContact CB-CD1 4.43Å; N81-F174 WeakPolarHBondContact O-CD1 3.48Å; N81-F174 WeakPolarHBondContact O-CE1 3.26Å
82Q81.6Confident92.6Very high175 Ų17542.8 Ų42.882%0.81825%0.245SC*.PPolyproline II helixtrans-47.3142.4-172.4-64.6-174.61.700113.4G84Q82-G84 PolarHBondContact O-N 2.94Å
83M80.7Confident91.9Very high48 Ų4844 Ų4424%0.23626%0.256CS..  trans-58.6-19.9-179.763.1-176.1170.500113.7V85 F86 L100 F174M83-V85 PolarHBondContact O-N 2.94Å; M83-F86 WeakPolarHBondContact O-CD2 3.28Å; M83-F86 PolarHBondContact O-N 3.03Å; M83-L100 HydrophobicContact SD-CD2 4.09Å; M83-F174 HydrophobicContact CB-CD1 4.11Å; M83-F174 HydrophobicContact CB-CE1 4.45Å; M83-F174 HydrophobicContact CB-CG 4.36Å
84G85.8Confident91.3Very high62 Ų6242.3 Ų42.364%0.63925%0.248SC*.THydrogen-bonded Turntrans62.2-108.7169.500000113.6Q82 F86Q82-G84 PolarHBondContact O-N 2.94Å; G84-F86 VanDerWaalsContact C-N 3.33Å; G84-F86 PolarHBondContact O-N 3.26Å
85V89.9Confident90.9Very high26 Ų2644.3 Ų44.316%0.15826%0.262CS..THydrogen-bonded Turntrans-85.11.8-169.6-61.10000114.8M83 L102 S103 K107M83-V85 PolarHBondContact O-N 2.94Å; V85-L102 HydrophobicContact CG2-CD2 3.76Å; V85-S103 WeakPolarHBondContact O-CB 3.44Å; V85-S103 PolarHBondContact O-N 3.18Å; V85-S103 PolarHBondContact O-OG 3.35Å; V85-K107 HydrophobicContact CB-CB 4.04Å; V85-K107 HydrophobicContact CB-CD 4.16Å; V85-K107 HydrophobicContact CG1-CB 4.03Å; V85-K107 HydrophobicContact CG1-CD 3.99Å; V85-K107 HydrophobicContact CG2-CB 4.35Å
86F94.5Very high90.7Very high7 Ų744.1 Ų44.13%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-89.9139.6179-61.7-74.3000112M83 G84 L100 K101 L102 S111 I117 L123M83-F86 WeakPolarHBondContact O-CD2 3.28Å; M83-F86 PolarHBondContact O-N 3.03Å; G84-F86 VanDerWaalsContact C-N 3.33Å; G84-F86 PolarHBondContact O-N 3.26Å; F86-L100 HydrophobicContact CB-CB 4.1Å; F86-L100 HydrophobicContact CB-CD2 4.26Å; F86-L100 HydrophobicContact CG-CB 4.35Å; F86-K101 CarbonylContact C-O 3.52Å; F86-K101 WeakPolarHBondContact CA-O 3.49Å; F86-L102 HydrophobicContact CD1-CD2 3.95Å; F86-L102 HydrophobicContact CD1-CG 4.18Å; F86-L102 HydrophobicContact CE1-CD2 3.53Å; F86-L102 HydrophobicContact CE1-CG 3.76Å; F86-L102 HydrophobicContact CZ-CD2 4.08Å; F86-S111 VanDerWaalsContact CE2-OG 3.31Å; F86-S111 WeakPolarHBondContact CE2-OG 3.4Å; F86-S111 WeakPolarHBondContact CZ-OG 3.38Å; F86-I117 HydrophobicContact CE1-CD1 4.02Å; F86-I117 HydrophobicContact CE1-CG1 4.1Å; F86-I117 HydrophobicContact CZ-CD1 3.62Å; F86-I117 HydrophobicContact CZ-CG1 3.76Å; F86-L123 HydrophobicContact CD1-CB 4.13Å; F86-L123 HydrophobicContact CD2-CD2 3.99Å; F86-L123 HydrophobicContact CE1-CB 3.76Å; F86-L123 HydrophobicContact CE2-CB 4.22Å; F86-L123 HydrophobicContact CE2-CD1 4.13Å; F86-L123 HydrophobicContact CE2-CD2 3.73Å; F86-L123 HydrophobicContact CE2-CG 4.25Å; F86-L123 HydrophobicContact CZ-CB 3.84Å; F86-L123 HydrophobicContact CZ-CD1 3.84Å; F86-L123 HydrophobicContact CZ-CD2 4.14Å; F86-L123 HydrophobicContact CZ-CG 4.16Å
87N94.2Very high90.5Very high89 Ų8944.1 Ų44.148%0.47626%0.262SS..EExtended strand (participates in β ladder)trans-89.3135165.8-68-22.9000109.3L100 K101 S103N87-L100 WeakPolarHBondContact O-CA 3.28Å; N87-K101 PolarHBondContact N-O 3.35Å; N87-K101 PolarHBondContact O-N 3.26Å; N87-S103 WeakPolarHBondContact ND2-CA 3.37Å
88F95Very high90.3Very high41 Ų4144.1 Ų44.118%0.1826%0.262CS..EExtended strand (participates in β ladder)trans-70.9126.8164.5168.1-102.3000109.9D90 A98 L100 I179 P181 F208 L210 L232F88-D90 HydrophobicContact CE1-CB 3.67Å; F88-D90 HydrophobicContact CE2-CB 4.19Å; F88-D90 HydrophobicContact CZ-CB 3.39Å; F88-A98 HydrophobicContact CD2-CB 4.05Å; F88-A98 HydrophobicContact CE2-CB 3.32Å; F88-A98 HydrophobicContact CZ-CB 4.04Å; F88-L100 HydrophobicContact CB-CD2 4.49Å; F88-I179 HydrophobicContact CB-CD1 3.79Å; F88-I179 HydrophobicContact CD1-CD1 3.77Å; F88-I179 HydrophobicContact CG-CD1 3.91Å; F88-P181 HydrophobicContact CE1-CB 4.42Å; F88-P181 HydrophobicContact CZ-CB 3.95Å; F88-P181 HydrophobicContact CZ-CG 4.16Å; F88-F208 HydrophobicContact CD1-CZ 4.19Å; F88-F208 HydrophobicContact CD2-CE2 4.01Å; F88-F208 AromaticContact CD2-CZ 3.82Å; F88-F208 HydrophobicContact CD2-CZ 3.82Å; F88-F208 AromaticContact CE1-CZ 3.93Å; F88-F208 HydrophobicContact CE1-CZ 3.93Å; F88-F208 AromaticContact CE2-CE2 3.52Å; F88-F208 HydrophobicContact CE2-CE2 3.52Å; F88-F208 AromaticContact CE2-CZ 3.51Å; F88-F208 HydrophobicContact CE2-CZ 3.51Å; F88-F208 HydrophobicContact CG-CZ 4.12Å; F88-F208 AromaticContact CZ-CE2 3.9Å; F88-F208 HydrophobicContact CZ-CE2 3.9Å; F88-F208 AromaticContact CZ-CZ 3.56Å; F88-F208 HydrophobicContact CZ-CZ 3.56Å; F88-L210 HydrophobicContact CD2-CD1 4.06Å; F88-L210 HydrophobicContact CD2-CD2 4.37Å; F88-L210 HydrophobicContact CE2-CD2 4.08Å; F88-L232 HydrophobicContact CE2-CD2 4.09Å; F88-L232 HydrophobicContact CZ-CD2 4.33Å
89V94.5Very high90.1Very high52 Ų5245.1 Ų45.132%0.31527%0.268SS..EExtended strand (participates in β ladder)trans-126.6116.4178.7-175.90000109.3V99 K101V89-V99 HydrophobicContact CB-CG2 3.82Å; V89-V99 HydrophobicContact CG1-CG2 4.28Å; V89-V99 PolarHBondContact N-O 2.54Å; V89-V99 PolarHBondContact O-N 2.83Å; V89-K101 HydrophobicContact CG2-CB 4.24Å
90D93.9Very high90Very high14 Ų1443.7 Ų43.78%0.07526%0.263CS..  trans-130.3100.8174172.816.5000108.4F88 G92 A98 P181 R182 S183F88-D90 HydrophobicContact CE1-CB 3.67Å; F88-D90 HydrophobicContact CE2-CB 4.19Å; F88-D90 HydrophobicContact CZ-CB 3.39Å; D90-G92 PolarHBondContact OD1-N 3.18Å; D90-A98 HydrophobicContact CB-CB 4.28Å; D90-P181 WeakPolarHBondContact OD2-CB 3.31Å; D90-R182 WeakPolarHBondContact O-CB 3.24Å; D90-R182 PolarHBondContact OD2-N 2.7Å; D90-S183 PolarHBondContact OD1-OG 3.34Å; D90-S183 VanDerWaalsContact OD2-CB 3.23Å; D90-S183 WeakPolarHBondContact OD2-CB 3.23Å; D90-S183 PolarHBondContact OD2-N 3.43Å; D90-S183 PolarHBondContact OD2-OG 2.89Å
91D83.8Confident89.9Confident105 Ų10547 Ų4756%0.56128%0.277SS*.  trans-102.44.1177.463.63000112.5S93D91-S93 PolarHBondContact O-N 3.4Å; D91-S93 WeakPolarHBondContact OD1-CB 3.39Å; D91-S93 PolarHBondContact OD1-N 3.36Å; D91-S93 PolarHBondContact OD1-OG 3.36Å
92G79.5Confident90.1Very high42 Ų4244.6 Ų44.643%0.43326%0.264SS..SBendtrans73.83.3-177.400000115.4D90 L94D90-G92 PolarHBondContact OD1-N 3.18Å; G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.23Å
93S82.4Confident90.5Very high76 Ų7638.6 Ų38.653%0.53124%0.241SC..SBendtrans-68.5-26.8178.263.50000113D91 P95D91-S93 PolarHBondContact O-N 3.4Å; D91-S93 WeakPolarHBondContact OD1-CB 3.39Å; D91-S93 PolarHBondContact OD1-N 3.36Å; D91-S93 PolarHBondContact OD1-OG 3.36Å; S93-P95 WeakPolarHBondContact O-CD 3.49Å
94L86.3Confident91Very high19 Ų1938.4 Ų38.410%0.09924%0.241CC..SBendtrans-112.8100-179-56.6176.5000110.1G92 G96 C97 V99 L218 E226 A229G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.23Å; L94-G96 PolarHBondContact O-N 3.25Å; L94-C97 HydrophobicContact CB-CB 3.93Å; L94-C97 PolarHBondContact O-N 3.45Å; L94-V99 HydrophobicContact CD1-CG1 3.86Å; L94-L218 HydrophobicContact CD2-CD2 4.05Å; L94-E226 HydrophobicContact CD2-CB 4.25Å; L94-E226 HydrophobicContact CD2-CG 3.4Å; L94-E226 VanDerWaalsContact CD2-CG 3.4Å; L94-A229 HydrophobicContact CD1-CB 3.58Å
95P89.6Confident91.1Very high45 Ų4538.3 Ų38.329%0.29224%0.239SC..THydrogen-bonded Turntrans-58.6115.8-178.2-25.334.5000112S93 C97 S217S93-P95 WeakPolarHBondContact O-CD 3.49Å; P95-C97 VanDerWaalsContact C-N 3.28Å; P95-C97 PolarHBondContact O-N 3Å; P95-S217 PolarHBondContact O-OG 2.96Å
96G92.9Very high91.2Very high5 Ų546.9 Ų46.95%0.05227%0.269CS..THydrogen-bonded Turntrans76.39.2179.900000115.7L94 L232L94-G96 PolarHBondContact O-N 3.25Å; G96-L232 PolarHBondContact O-N 2.83Å
97C94.4Very high91.1Very high3 Ų350.3 Ų50.32%0.0228%0.284CS..EExtended strand (participates in β ladder)trans-130.1162.5177.7-530000111L94 P95 L218 A229 W230L94-C97 HydrophobicContact CB-CB 3.93Å; L94-C97 PolarHBondContact O-N 3.45Å; P95-C97 VanDerWaalsContact C-N 3.28Å; P95-C97 PolarHBondContact O-N 3Å; C97-L218 HydrophobicContact CB-CD1 4.34Å; C97-A229 HydrophobicContact CB-CB 3.96Å; C97-W230 CarbonylContact C-O 3.59Å; C97-W230 WeakPolarHBondContact CA-O 3.32Å; C97-W230 WeakPolarHBondContact CB-O 3.46Å
98A94.7Very high91.1Very high2 Ų250.4 Ų50.42%0.01728%0.278CS..EExtended strand (participates in β ladder)trans-141170.3174.100000110F88 D90 L210 W230 L232F88-A98 HydrophobicContact CD2-CB 4.05Å; F88-A98 HydrophobicContact CE2-CB 3.32Å; F88-A98 HydrophobicContact CZ-CB 4.04Å; D90-A98 HydrophobicContact CB-CB 4.28Å; A98-L210 HydrophobicContact CB-CD2 4.06Å; A98-W230 PolarHBondContact N-O 3.34Å; A98-W230 PolarHBondContact O-N 3.06Å; A98-L232 HydrophobicContact CB-CD2 4.24Å; A98-L232 HydrophobicContact CB-CG 4.45Å
99V94.6Very high91Very high22 Ų2253.3 Ų53.313%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-121.9151.7177.5-59.60000111.2V89 L94 Y122 A229V89-V99 HydrophobicContact CB-CG2 3.82Å; V89-V99 HydrophobicContact CG1-CG2 4.28Å; V89-V99 PolarHBondContact N-O 2.54Å; V89-V99 PolarHBondContact O-N 2.83Å; L94-V99 HydrophobicContact CD1-CG1 3.86Å; V99-Y122 HydrophobicContact CB-CD1 4.02Å; V99-Y122 HydrophobicContact CB-CE1 4.31Å; V99-Y122 HydrophobicContact CG2-CD1 3.95Å; V99-Y122 HydrophobicContact CG2-CE1 3.75Å; V99-A229 HydrophobicContact CG1-CB 4.1Å
100L95.2Very high90.9Very high0 Ų057.4 Ų57.40%032%0.32CS..EExtended strand (participates in β ladder)trans-106.8118.9172.6-71.8173.2000108.4M83 F86 N87 F88 Y122 L123 F174 L210 W230M83-L100 HydrophobicContact SD-CD2 4.09Å; F86-L100 HydrophobicContact CB-CB 4.1Å; F86-L100 HydrophobicContact CB-CD2 4.26Å; F86-L100 HydrophobicContact CG-CB 4.35Å; N87-L100 WeakPolarHBondContact O-CA 3.28Å; F88-L100 HydrophobicContact CB-CD2 4.49Å; L100-Y122 CarbonylContact O-C 3.59Å; L100-Y122 VanDerWaalsContact O-CA 3.29Å; L100-Y122 WeakPolarHBondContact O-CA 3.46Å; L100-L123 HydrophobicContact CB-CB 4.02Å; L100-L123 HydrophobicContact CD1-CD2 4.05Å; L100-L123 PolarHBondContact O-N 2.89Å; L100-F174 HydrophobicContact CD1-CD2 3.62Å; L100-F174 HydrophobicContact CD1-CE2 3.88Å; L100-F174 HydrophobicContact CD1-CG 4.45Å; L100-L210 HydrophobicContact CD1-CD1 4.03Å; L100-L210 HydrophobicContact CD2-CD1 3.75Å; L100-L210 HydrophobicContact CG-CD1 3.9Å; L100-W230 HydrophobicContact CD1-CD2 4.39Å; L100-W230 HydrophobicContact CD1-CZ2 4.44Å
101K94.3Very high90.9Very high85 Ų8557.4 Ų57.437%0.3732%0.321SS..EExtended strand (participates in β ladder)trans-120.9139.6-177.5-166.9177.6-172.8169.90110.8F86 N87 V89 S103 Y122F86-K101 CarbonylContact C-O 3.52Å; F86-K101 WeakPolarHBondContact CA-O 3.49Å; N87-K101 PolarHBondContact N-O 3.35Å; N87-K101 PolarHBondContact O-N 3.26Å; V89-K101 HydrophobicContact CG2-CB 4.24Å; K101-S103 PolarHBondContact O-N 2.83Å; K101-Y122 HydrophobicContact CB-CD1 3.86Å; K101-Y122 HydrophobicContact CB-CE1 3.85Å; K101-Y122 HydrophobicContact CD-CD1 4.33Å; K101-Y122 HydrophobicContact CD-CE1 3.63Å; K101-Y122 HydrophobicContact CG-CD1 3.97Å; K101-Y122 HydrophobicContact CG-CE1 3.79Å; K101-Y122 PolarHBondContact NZ-OH 2.71Å
102L94.2Very high91.4Very high19 Ų1956.8 Ų56.810%0.09932%0.318CS..EExtended strand (participates in β ladder)trans-53.5131.4175-77.7174.2000110.8V85 F86 D104 R108 I117 G121V85-L102 HydrophobicContact CG2-CD2 3.76Å; F86-L102 HydrophobicContact CD1-CD2 3.95Å; F86-L102 HydrophobicContact CD1-CG 4.18Å; F86-L102 HydrophobicContact CE1-CD2 3.53Å; F86-L102 HydrophobicContact CE1-CG 3.76Å; F86-L102 HydrophobicContact CZ-CD2 4.08Å; L102-D104 VanDerWaalsContact C-N 3.29Å; L102-R108 HydrophobicContact CD1-CB 3.8Å; L102-R108 HydrophobicContact CD1-CG 4.27Å; L102-I117 HydrophobicContact CD1-CD1 4.26Å; L102-I117 HydrophobicContact CD1-CG2 3.94Å; L102-I117 HydrophobicContact CD2-CD1 4.17Å; L102-I117 HydrophobicContact CG-CD1 4.43Å; L102-I117 HydrophobicContact CG-CG2 4.35Å; L102-G121 PolarHBondContact N-O 2.94Å
103S91Very high92.1Very high48 Ų4855 Ų5534%0.33630%0.298SS..SBendtrans-65.7-34.517352.90000112.3V85 N87 K101V85-S103 WeakPolarHBondContact O-CB 3.44Å; V85-S103 PolarHBondContact O-N 3.18Å; V85-S103 PolarHBondContact O-OG 3.35Å; N87-S103 WeakPolarHBondContact ND2-CA 3.37Å; K101-S103 PolarHBondContact O-N 2.83Å
104D91.1Very high92.8Very high45 Ų4554.4 Ų54.424%0.24129%0.291CS..  trans-150.1131.7176.9-175.9-23.4000108.6L102 R106 K107L102-D104 VanDerWaalsContact C-N 3.29Å; D104-R106 PolarHBondContact O-N 3.13Å; D104-R106 WeakPolarHBondContact OD1-CB 3.41Å; D104-R106 WeakPolarHBondContact OD1-CG 3.5Å; D104-R106 PolarHBondContact OD1-N 2.65Å; D104-R106 IonicContact OD1-NE 3.34Å; D104-R106 PolarHBondContact OD1-NE 3.34Å; D104-R106 IonicContact OD2-CZ 3.66Å; D104-R106 VanDerWaalsContact OD2-CZ 3.23Å; D104-R106 IonicContact OD2-NE 3.45Å; D104-R106 PolarHBondContact OD2-NE 3.25Å; D104-R106 IonicContact OD2-NH2 2.76Å; D104-R106 PolarHBondContact OD2-NH2 3.47Å; D104-K107 HydrophobicContact CB-CD 4.21Å; D104-K107 HydrophobicContact CB-CG 4.17Å; D104-K107 WeakPolarHBondContact O-CB 3.42Å; D104-K107 PolarHBondContact O-N 2.73Å
105G87.9Confident93.2Very high59 Ų5957.7 Ų57.761%0.60831%0.306SS*.G310 helixtrans-58.8-28.317900000113.5K107 R108G105-K107 PolarHBondContact O-N 3.19Å; G105-R108 VanDerWaalsContact O-CB 3.26Å; G105-R108 WeakPolarHBondContact O-CB 3.47Å; G105-R108 PolarHBondContact O-N 3.01Å; G105-R108 VanDerWaalsContact O-N 3.15Å
106R92.1Very high93.5Very high206 Ų20656.2 Ų56.278%0.77730%0.295SS*.G310 helixtrans-65.2-23.5176.2-63.7177.3-67.7178.7-0112.9D104 R108D104-R106 PolarHBondContact O-N 3.13Å; D104-R106 WeakPolarHBondContact OD1-CB 3.41Å; D104-R106 WeakPolarHBondContact OD1-CG 3.5Å; D104-R106 PolarHBondContact OD1-N 2.65Å; D104-R106 IonicContact OD1-NE 3.34Å; D104-R106 PolarHBondContact OD1-NE 3.34Å; D104-R106 IonicContact OD2-CZ 3.66Å; D104-R106 VanDerWaalsContact OD2-CZ 3.23Å; D104-R106 IonicContact OD2-NE 3.45Å; D104-R106 PolarHBondContact OD2-NE 3.25Å; D104-R106 IonicContact OD2-NH2 2.76Å; D104-R106 PolarHBondContact OD2-NH2 3.47Å; R106-R108 VanDerWaalsContact C-N 3.29Å; R106-R108 PolarHBondContact O-N 3.02Å
107K91.8Very high93.6Very high80 Ų8056.5 Ų56.535%0.34830%0.295SS..G310 helixtrans-84.71.2177.9-61.6-179.5-177177.30113.2V85 D104 G105 S109 M110V85-K107 HydrophobicContact CB-CB 4.04Å; V85-K107 HydrophobicContact CB-CD 4.16Å; V85-K107 HydrophobicContact CG1-CB 4.03Å; V85-K107 HydrophobicContact CG1-CD 3.99Å; V85-K107 HydrophobicContact CG2-CB 4.35Å; D104-K107 HydrophobicContact CB-CD 4.21Å; D104-K107 HydrophobicContact CB-CG 4.17Å; D104-K107 WeakPolarHBondContact O-CB 3.42Å; D104-K107 PolarHBondContact O-N 2.73Å; G105-K107 PolarHBondContact O-N 3.19Å; K107-S109 VanDerWaalsContact C-N 3.33Å; K107-S109 PolarHBondContact O-N 3.15Å; K107-M110 HydrophobicContact CB-SD 4.3Å; K107-M110 HydrophobicContact CG-SD 4.11Å; K107-M110 WeakPolarHBondContact O-CB 3.28Å; K107-M110 PolarHBondContact O-N 3.46Å
108R93.8Very high93.6Very high91 Ų9157.1 Ų57.134%0.34330%0.299SS..G310 helixtrans-53.4-48.2-179.3175.8178.4-100.7161.41112L102 G105 R106 M110 S111 V114 I117 T118 A119L102-R108 HydrophobicContact CD1-CB 3.8Å; L102-R108 HydrophobicContact CD1-CG 4.27Å; G105-R108 VanDerWaalsContact O-CB 3.26Å; G105-R108 WeakPolarHBondContact O-CB 3.47Å; G105-R108 PolarHBondContact O-N 3.01Å; G105-R108 VanDerWaalsContact O-N 3.15Å; R106-R108 VanDerWaalsContact C-N 3.29Å; R106-R108 PolarHBondContact O-N 3.02Å; R108-M110 PolarHBondContact O-N 3.47Å; R108-S111 WeakPolarHBondContact O-CB 3.24Å; R108-S111 PolarHBondContact O-N 2.95Å; R108-V114 HydrophobicContact CG-CG2 3.94Å; R108-V114 WeakPolarHBondContact O-CG2 3.46Å; R108-I117 HydrophobicContact CG-CD1 4.06Å; R108-T118 PolarHBondContact NH2-O 3.5Å; R108-A119 PolarHBondContact NH2-O 3.16Å
109S92.7Very high93.5Very high102 Ų10261.8 Ų61.871%0.71334%0.337SS*.G310 helixtrans-70.6-15.8-179.752.40000113.9K107 S111K107-S109 VanDerWaalsContact C-N 3.33Å; K107-S109 PolarHBondContact O-N 3.15Å; S109-S111 VanDerWaalsContact C-N 3.31Å
110M92.3Very high93.3Very high138 Ų13864.9 Ų64.968%0.6836%0.36SS*.G310 helixtrans-82.6-10.4175.2-58.11796400112.7K107 R108K107-M110 HydrophobicContact CB-SD 4.3Å; K107-M110 HydrophobicContact CG-SD 4.11Å; K107-M110 WeakPolarHBondContact O-CB 3.28Å; K107-M110 PolarHBondContact O-N 3.46Å; R108-M110 PolarHBondContact O-N 3.47Å
111S93.7Very high93.2Very high13 Ų1365.3 Ų65.39%0.09136%0.364CS..  trans-77.6134.4-179.7-172.60000111.2F86 R108 S109 W113 V114F86-S111 VanDerWaalsContact CE2-OG 3.31Å; F86-S111 WeakPolarHBondContact CE2-OG 3.4Å; F86-S111 WeakPolarHBondContact CZ-OG 3.38Å; R108-S111 WeakPolarHBondContact O-CB 3.24Å; R108-S111 PolarHBondContact O-N 2.95Å; S109-S111 VanDerWaalsContact C-N 3.31Å; S111-W113 PolarHBondContact O-N 2.81Å; S111-W113 VanDerWaalsContact O-N 3.15Å; S111-W113 PolarHBondContact OG-N 3.32Å; S111-V114 PolarHBondContact O-N 3.28Å
112L94.4Very high93.2Very high93 Ų9364.3 Ų64.349%0.48736%0.358SS..THydrogen-bonded Turntrans-59.2-19.5169.2-79.5143.1000113.3R51 N81R51-L112 VanDerWaalsContact CD-O 3.31Å; R51-L112 WeakPolarHBondContact CD-O 3.44Å; R51-L112 PolarHBondContact NH1-O 3.01Å; N81-L112 HydrophobicContact CB-CD1 4.43Å
113W95.7Very high93.3Very high3 Ų363.5 Ų63.51%0.01135%0.354CS..THydrogen-bonded Turntrans-11829.5-170.6-54105.4000111.7R51 F52 L80 S111 E115 F116 L123 I128 F174R51-W113 HydrophobicContact CB-CH2 3.69Å; R51-W113 HydrophobicContact CB-CZ2 4.33Å; R51-W113 HydrophobicContact CB-CZ3 4.02Å; F52-W113 HydrophobicContact CD1-CH2 4.33Å; F52-W113 HydrophobicContact CE1-CH2 4.06Å; F52-W113 HydrophobicContact CE1-CZ3 4Å; F52-W113 HydrophobicContact CE2-CZ3 4.34Å; F52-W113 HydrophobicContact CZ-CH2 4.32Å; F52-W113 AromaticContact CZ-CZ3 3.83Å; F52-W113 HydrophobicContact CZ-CZ3 3.83Å; L80-W113 HydrophobicContact CB-CH2 4.48Å; L80-W113 HydrophobicContact CB-CZ2 3.88Å; L80-W113 HydrophobicContact CD1-CH2 4.15Å; L80-W113 HydrophobicContact CD1-CZ2 4.03Å; L80-W113 HydrophobicContact CD2-CH2 3.92Å; L80-W113 HydrophobicContact CD2-CZ2 4.18Å; L80-W113 HydrophobicContact CG-CH2 4.41Å; L80-W113 HydrophobicContact CG-CZ2 4.25Å; S111-W113 PolarHBondContact O-N 2.81Å; S111-W113 VanDerWaalsContact O-N 3.15Å; S111-W113 PolarHBondContact OG-N 3.32Å; W113-E115 VanDerWaalsContact C-N 3.27Å; W113-E115 PolarHBondContact O-N 3.04Å; W113-F116 HydrophobicContact CB-CD2 4.03Å; W113-F116 AromaticContact CE3-CD2 3.83Å; W113-F116 HydrophobicContact CE3-CD2 3.83Å; W113-F116 AromaticContact CE3-CE2 3.78Å; W113-F116 HydrophobicContact CE3-CE2 3.78Å; W113-F116 HydrophobicContact CZ3-CE2 4.37Å; W113-F116 PolarHBondContact O-N 3.35Å; W113-L123 HydrophobicContact CB-CD1 3.69Å; W113-I128 HydrophobicContact CD2-CD1 4.44Å; W113-I128 HydrophobicContact CE3-CD1 4.35Å; W113-F174 AromaticContact NE1-CE1 3.9Å; W113-F174 AromaticContact NE1-CZ 3.82Å
114V95.6Very high93.5Very high65 Ų6561.2 Ų61.239%0.39434%0.338SS..G310 helixtrans-53.2-38.7-168.763.10000113.9R108 S111 F116 I117R108-V114 HydrophobicContact CG-CG2 3.94Å; R108-V114 WeakPolarHBondContact O-CG2 3.46Å; S111-V114 PolarHBondContact O-N 3.28Å; V114-F116 PolarHBondContact O-N 3.41Å; V114-I117 WeakPolarHBondContact O-CB 3.49Å; V114-I117 PolarHBondContact O-N 3.14Å
115E95.6Very high93.7Very high88 Ų8859 Ų5941%0.41133%0.327SS..G310 helixtrans-71.1-18.3-179.171.8-87.6-142.800113.4R51 W113R51-E115 IonicContact CZ-OE1 2.69Å; R51-E115 VanDerWaalsContact NH1-CD 3.3Å; R51-E115 IonicContact NH1-OE1 3.23Å; R51-E115 PolarHBondContact NH1-OE1 3Å; R51-E115 IonicContact NH1-OE2 3.05Å; R51-E115 PolarHBondContact NH1-OE2 2.98Å; R51-E115 VanDerWaalsContact NH1-OE2 3.09Å; R51-E115 IonicContact NH2-OE1 2.95Å; R51-E115 PolarHBondContact NH2-OE1 3.38Å; W113-E115 VanDerWaalsContact C-N 3.27Å; W113-E115 PolarHBondContact O-N 3.04Å
116F95.8Very high94Very high13 Ų1362.2 Ų62.26%0.05732%0.32CS..G310 helixtrans-940.5178.9-51.8-59.9000112.8W113 V114 L123 S124 K127 I128 R131W113-F116 HydrophobicContact CB-CD2 4.03Å; W113-F116 AromaticContact CE3-CD2 3.83Å; W113-F116 HydrophobicContact CE3-CD2 3.83Å; W113-F116 AromaticContact CE3-CE2 3.78Å; W113-F116 HydrophobicContact CE3-CE2 3.78Å; W113-F116 HydrophobicContact CZ3-CE2 4.37Å; W113-F116 PolarHBondContact O-N 3.35Å; V114-F116 PolarHBondContact O-N 3.41Å; F116-L123 HydrophobicContact CB-CD1 3.94Å; F116-S124 WeakPolarHBondContact O-CB 3.35Å; F116-S124 PolarHBondContact O-N 3.31Å; F116-K127 HydrophobicContact CB-CB 4.42Å; F116-K127 HydrophobicContact CD1-CB 3.8Å; F116-I128 HydrophobicContact CB-CD1 4.38Å; F116-I128 HydrophobicContact CB-CG1 3.78Å; F116-I128 HydrophobicContact CD1-CG1 4.22Å; F116-I128 HydrophobicContact CD2-CD1 4.39Å; F116-I128 HydrophobicContact CD2-CG1 3.68Å; F116-I128 HydrophobicContact CE2-CG1 4.36Å; F116-I128 HydrophobicContact CG-CG1 3.6Å; F116-R131 HydrophobicContact CE1-CB 3.73Å; F116-R131 HydrophobicContact CE1-CG 4.16Å; F116-R131 HydrophobicContact CZ-CB 3.86Å; F116-R131 HydrophobicContact CZ-CG 3.83Å
117I95.4Very high94.2Very high12 Ų1256.9 Ų56.96%0.06230%0.302CS..BIsolated β-bridgetrans-82.6125.3177.2-53.3175.8000109.3F86 L102 R108 V114 Y122 L123F86-I117 HydrophobicContact CE1-CD1 4.02Å; F86-I117 HydrophobicContact CE1-CG1 4.1Å; F86-I117 HydrophobicContact CZ-CD1 3.62Å; F86-I117 HydrophobicContact CZ-CG1 3.76Å; L102-I117 HydrophobicContact CD1-CD1 4.26Å; L102-I117 HydrophobicContact CD1-CG2 3.94Å; L102-I117 HydrophobicContact CD2-CD1 4.17Å; L102-I117 HydrophobicContact CG-CD1 4.43Å; L102-I117 HydrophobicContact CG-CG2 4.35Å; R108-I117 HydrophobicContact CG-CD1 4.06Å; V114-I117 WeakPolarHBondContact O-CB 3.49Å; V114-I117 PolarHBondContact O-N 3.14Å; I117-Y122 CarbonylContact C-O 3.6Å; I117-Y122 WeakPolarHBondContact CA-O 3.4Å; I117-L123 HydrophobicContact CG1-CD1 4.22Å
118T94Very high94.5Very high16 Ų1653 Ų5310%0.09829%0.286CS..  trans-67.5163.1175.265.80000111.4R108 S120 G121 Y122 D228R108-T118 PolarHBondContact NH2-O 3.5Å; T118-S120 PolarHBondContact O-N 3.04Å; T118-G121 PolarHBondContact O-N 2.88Å; T118-Y122 PolarHBondContact N-O 3.04Å; T118-Y122 PolarHBondContact OG1-N 3.09Å; T118-Y122 PolarHBondContact OG1-O 2.71Å; T118-D228 VanDerWaalsContact CG2-OD2 3.24Å; T118-D228 WeakPolarHBondContact CG2-OD2 3.46Å
119A92Very high94.6Very high99 Ų9949.3 Ų49.382%0.81827%0.272SS*.THydrogen-bonded Turntrans-52.9-40.117600000111.9R108 G121R108-A119 PolarHBondContact NH2-O 3.16Å; A119-G121 PolarHBondContact O-N 3.13Å
120S91.5Very high94.8Very high88 Ų8847.5 Ų47.562%0.61526%0.259SS*.THydrogen-bonded Turntrans-74.70.3177.5-47.70000115.1T118T118-S120 PolarHBondContact O-N 3.04Å
121G93.3Very high95.1Very high8 Ų845.7 Ų45.78%0.08225%0.245CC..SBendtrans88.115173.400000115.7L102 T118 A119L102-G121 PolarHBondContact N-O 2.94Å; T118-G121 PolarHBondContact O-N 2.88Å; A119-G121 PolarHBondContact O-N 3.13Å
122Y93.9Very high95.3Very high65 Ų6545 Ų4526%0.25524%0.24SC..BIsolated β-bridgetrans-90.5140.5175.1-61.8-76.6000111.4V99 L100 K101 I117 T118 S124V99-Y122 HydrophobicContact CB-CD1 4.02Å; V99-Y122 HydrophobicContact CB-CE1 4.31Å; V99-Y122 HydrophobicContact CG2-CD1 3.95Å; V99-Y122 HydrophobicContact CG2-CE1 3.75Å; L100-Y122 CarbonylContact O-C 3.59Å; L100-Y122 VanDerWaalsContact O-CA 3.29Å; L100-Y122 WeakPolarHBondContact O-CA 3.46Å; K101-Y122 HydrophobicContact CB-CD1 3.86Å; K101-Y122 HydrophobicContact CB-CE1 3.85Å; K101-Y122 HydrophobicContact CD-CD1 4.33Å; K101-Y122 HydrophobicContact CD-CE1 3.63Å; K101-Y122 HydrophobicContact CG-CD1 3.97Å; K101-Y122 HydrophobicContact CG-CE1 3.79Å; K101-Y122 PolarHBondContact NZ-OH 2.71Å; I117-Y122 CarbonylContact C-O 3.6Å; I117-Y122 WeakPolarHBondContact CA-O 3.4Å; T118-Y122 PolarHBondContact N-O 3.04Å; T118-Y122 PolarHBondContact OG1-N 3.09Å; T118-Y122 PolarHBondContact OG1-O 2.71Å; Y122-S124 PolarHBondContact O-N 3.33Å
123L95.4Very high95.5Very high1 Ų142.5 Ų42.51%0.00523%0.226CC..BIsolated β-bridgetrans-80.7111.4170.8-175.165.1000109.9F86 L100 W113 F116 I117 A125 I128 F174 W230F86-L123 HydrophobicContact CD1-CB 4.13Å; F86-L123 HydrophobicContact CD2-CD2 3.99Å; F86-L123 HydrophobicContact CE1-CB 3.76Å; F86-L123 HydrophobicContact CE2-CB 4.22Å; F86-L123 HydrophobicContact CE2-CD1 4.13Å; F86-L123 HydrophobicContact CE2-CD2 3.73Å; F86-L123 HydrophobicContact CE2-CG 4.25Å; F86-L123 HydrophobicContact CZ-CB 3.84Å; F86-L123 HydrophobicContact CZ-CD1 3.84Å; F86-L123 HydrophobicContact CZ-CD2 4.14Å; F86-L123 HydrophobicContact CZ-CG 4.16Å; L100-L123 HydrophobicContact CB-CB 4.02Å; L100-L123 HydrophobicContact CD1-CD2 4.05Å; L100-L123 PolarHBondContact O-N 2.89Å; W113-L123 HydrophobicContact CB-CD1 3.69Å; F116-L123 HydrophobicContact CB-CD1 3.94Å; I117-L123 HydrophobicContact CG1-CD1 4.22Å; L123-A125 PolarHBondContact O-N 2.96Å; L123-I128 HydrophobicContact CD1-CD1 4.03Å; L123-I128 HydrophobicContact CD2-CD1 4.13Å; L123-I128 HydrophobicContact CG-CD1 4.05Å; L123-F174 HydrophobicContact CD2-CE2 3.52Å; L123-F174 HydrophobicContact CD2-CZ 3.73Å; L123-W230 HydrophobicContact CD2-CZ2 4.03Å; L123-W230 HydrophobicContact CG-CZ2 4.17Å; L123-W230 PolarHBondContact O-NE1 3.29Å
124S95.3Very high95.7Very high0 Ų045.2 Ų45.20%024%0.243CC..  trans-76.6113.7-175171.60000112.1F116 Y122 R126 K127 I128 D228F116-S124 WeakPolarHBondContact O-CB 3.35Å; F116-S124 PolarHBondContact O-N 3.31Å; Y122-S124 PolarHBondContact O-N 3.33Å; S124-R126 VanDerWaalsContact C-N 3.32Å; S124-R126 PolarHBondContact O-N 3.46Å; S124-K127 PolarHBondContact O-N 3.42Å; S124-K127 WeakPolarHBondContact OG-CG 3.45Å; S124-K127 PolarHBondContact OG-N 3.36Å; S124-I128 PolarHBondContact O-N 2.67Å; S124-D228 VanDerWaalsContact CB-OD1 3.28Å; S124-D228 WeakPolarHBondContact CB-OD1 3.28Å; S124-D228 PolarHBondContact OG-OD1 3.3Å
125A95.7Very high95.8Very high0 Ų042.2 Ų42.20%023%0.225CC..Hα-helixtrans-56.4-47.417100000111.1L123 K127 I128 R129 S212 D228 A229 W230L123-A125 PolarHBondContact O-N 2.96Å; A125-K127 PolarHBondContact O-N 3.47Å; A125-I128 PolarHBondContact O-N 2.76Å; A125-R129 PolarHBondContact O-N 3.18Å; A125-S212 WeakPolarHBondContact CB-OG 3.29Å; A125-S212 PolarHBondContact O-OG 2.94Å; A125-D228 PolarHBondContact N-O 3.09Å; A125-D228 VanDerWaalsContact N-O 3.15Å; A125-A229 WeakPolarHBondContact CB-O 3.42Å; A125-W230 HydrophobicContact CB-CD2 3.77Å; A125-W230 HydrophobicContact CB-CE3 4.28Å; A125-W230 HydrophobicContact CB-CG 4.01Å; A125-W230 HydrophobicContact CB-CZ2 4.06Å
126R94.7Very high96Very high125 Ų12538 Ų3847%0.47221%0.205SC..Hα-helixtrans-59.5-47-179.3-179.2-166-75.4163.3-14.5112.4S124 I128 R129 S130 S227S124-R126 VanDerWaalsContact C-N 3.32Å; S124-R126 PolarHBondContact O-N 3.46Å; R126-I128 VanDerWaalsContact C-N 3.34Å; R126-I128 PolarHBondContact O-N 2.72Å; R126-R129 PolarHBondContact O-N 2.7Å; R126-S130 WeakPolarHBondContact O-CB 3.44Å; R126-S130 PolarHBondContact O-N 3Å; R126-S227 WeakPolarHBondContact CB-O 3.24Å; R126-S227 PolarHBondContact NH1-OG 2.58Å
127K95.8Very high96.1Very high94 Ų9438.7 Ų38.741%0.40921%0.213SC..Hα-helixtrans-64-40.8-178.9-69.7-178.3176.8-173.20111.6F116 S124 A125 S130 R131F116-K127 HydrophobicContact CB-CB 4.42Å; F116-K127 HydrophobicContact CD1-CB 3.8Å; S124-K127 PolarHBondContact O-N 3.42Å; S124-K127 WeakPolarHBondContact OG-CG 3.45Å; S124-K127 PolarHBondContact OG-N 3.36Å; A125-K127 PolarHBondContact O-N 3.47Å; K127-S130 PolarHBondContact O-N 2.97Å; K127-R131 PolarHBondContact O-N 3.16Å
128I97.3Very high96.2Very high0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-58.9-50.1172.9-73.9178.1000110.3F52 L80 W113 F116 L123 S124 A125 R126 S130 R131 F132 P172 W230F52-I128 HydrophobicContact CE1-CG2 4.19Å; F52-I128 HydrophobicContact CZ-CG2 4.29Å; L80-I128 HydrophobicContact CD1-CD1 4.5Å; L80-I128 HydrophobicContact CD1-CG2 4.15Å; W113-I128 HydrophobicContact CD2-CD1 4.44Å; W113-I128 HydrophobicContact CE3-CD1 4.35Å; F116-I128 HydrophobicContact CB-CD1 4.38Å; F116-I128 HydrophobicContact CB-CG1 3.78Å; F116-I128 HydrophobicContact CD1-CG1 4.22Å; F116-I128 HydrophobicContact CD2-CD1 4.39Å; F116-I128 HydrophobicContact CD2-CG1 3.68Å; F116-I128 HydrophobicContact CE2-CG1 4.36Å; F116-I128 HydrophobicContact CG-CG1 3.6Å; L123-I128 HydrophobicContact CD1-CD1 4.03Å; L123-I128 HydrophobicContact CD2-CD1 4.13Å; L123-I128 HydrophobicContact CG-CD1 4.05Å; S124-I128 PolarHBondContact O-N 2.67Å; A125-I128 PolarHBondContact O-N 2.76Å; R126-I128 VanDerWaalsContact C-N 3.34Å; R126-I128 PolarHBondContact O-N 2.72Å; I128-S130 PolarHBondContact O-N 2.96Å; I128-R131 PolarHBondContact O-N 2.76Å; I128-F132 WeakPolarHBondContact O-CB 3.44Å; I128-F132 PolarHBondContact O-N 2.84Å; I128-P172 HydrophobicContact CG2-CB 4.12Å; I128-W230 HydrophobicContact CD1-CH2 3.84Å; I128-W230 HydrophobicContact CD1-CZ2 3.87Å
129R97.5Very high96.4Very high13 Ų1341.2 Ų41.25%0.04922%0.223CC..Hα-helixtrans-61.6-41.7-179.9-177171.368.7-11111.4112.6A125 R126 F132 Q133 S156 E157 S212A125-R129 PolarHBondContact O-N 3.18Å; R126-R129 PolarHBondContact O-N 2.7Å; R129-F132 PolarHBondContact O-N 2.8Å; R129-Q133 VanDerWaalsContact O-CB 3.28Å; R129-Q133 WeakPolarHBondContact O-CB 3.44Å; R129-Q133 PolarHBondContact O-N 3.41Å; R129-S156 WeakPolarHBondContact CD-O 3.31Å; R129-S156 WeakPolarHBondContact CG-O 3.46Å; R129-S156 PolarHBondContact NE-O 2.69Å; R129-S156 VanDerWaalsContact NE-O 3.08Å; R129-S156 PolarHBondContact NE-OG 3.4Å; R129-S156 PolarHBondContact NH2-OG 2.88Å; R129-E157 WeakPolarHBondContact CD-OE2 3.29Å; R129-E157 IonicContact NE-OE2 2.9Å; R129-S212 WeakPolarHBondContact CB-OG 2.91Å; R129-S212 WeakPolarHBondContact CD-O 3.43Å; R129-S212 PolarHBondContact NH1-OG 2.91Å
130S96.9Very high96.7Very high64 Ų6436.8 Ų36.845%0.44819%0.186SC..Hα-helixtrans-64.1-42.3177.81770000112.4R126 K127 I128 Q133 T134R126-S130 WeakPolarHBondContact O-CB 3.44Å; R126-S130 PolarHBondContact O-N 3Å; K127-S130 PolarHBondContact O-N 2.97Å; I128-S130 PolarHBondContact O-N 2.96Å; S130-Q133 PolarHBondContact O-N 2.85Å; S130-T134 PolarHBondContact O-N 2.96Å; S130-T134 VanDerWaalsContact O-N 3.14Å; S130-T134 PolarHBondContact O-OG1 3.36Å
131R98.1Very high97Very high99 Ų9938.5 Ų38.537%0.37419%0.189SC..Hα-helixtrans-63.3-47.7173.3177.660.3174174.71.7111F116 K127 I128 Q133 T134 L135F116-R131 HydrophobicContact CE1-CB 3.73Å; F116-R131 HydrophobicContact CE1-CG 4.16Å; F116-R131 HydrophobicContact CZ-CB 3.86Å; F116-R131 HydrophobicContact CZ-CG 3.83Å; K127-R131 PolarHBondContact O-N 3.16Å; I128-R131 PolarHBondContact O-N 2.76Å; R131-Q133 VanDerWaalsContact C-N 3.32Å; R131-Q133 PolarHBondContact O-N 3.48Å; R131-T134 WeakPolarHBondContact O-CB 3.31Å; R131-T134 PolarHBondContact O-N 3.4Å; R131-L135 HydrophobicContact CG-CD1 4.16Å; R131-L135 WeakPolarHBondContact O-CG 3.45Å; R131-L135 PolarHBondContact O-N 2.78Å; R131-L135 VanDerWaalsContact O-N 3.1Å
132F98.6Very high97.2Very high0 Ų044 Ų440%021%0.21CC..Hα-helixtrans-60.1-41.7178.8-177.8-117.9000111.9L42 V45 F52 L78 I128 R129 T134 L135 V136 V158 I170 P172L42-F132 HydrophobicContact CD2-CE2 4.02Å; L42-F132 HydrophobicContact CD2-CZ 3.75Å; V45-F132 HydrophobicContact CG1-CD2 4.34Å; V45-F132 HydrophobicContact CG1-CE2 4.08Å; F52-F132 HydrophobicContact CB-CD2 4.39Å; F52-F132 HydrophobicContact CB-CE2 4.35Å; F52-F132 AromaticContact CD1-CD2 3.64Å; F52-F132 HydrophobicContact CD1-CD2 3.64Å; F52-F132 HydrophobicContact CD1-CE2 4.13Å; F52-F132 HydrophobicContact CD1-CG 4.37Å; F52-F132 HydrophobicContact CD2-CD2 4.13Å; F52-F132 HydrophobicContact CE1-CB 4.04Å; F52-F132 AromaticContact CE1-CD2 3.85Å; F52-F132 HydrophobicContact CE1-CD2 3.85Å; F52-F132 HydrophobicContact CE1-CG 4.17Å; F52-F132 HydrophobicContact CE2-CB 4.46Å; F52-F132 HydrophobicContact CE2-CD2 4.34Å; F52-F132 AromaticContact CG-CD2 3.8Å; F52-F132 HydrophobicContact CG-CD2 3.8Å; F52-F132 HydrophobicContact CG-CE2 4.22Å; F52-F132 HydrophobicContact CZ-CB 3.94Å; F52-F132 HydrophobicContact CZ-CD2 4.21Å; F52-F132 HydrophobicContact CZ-CG 4.46Å; L78-F132 HydrophobicContact CD2-CD2 4.36Å; L78-F132 HydrophobicContact CD2-CE1 4.27Å; L78-F132 HydrophobicContact CD2-CE2 3.56Å; L78-F132 HydrophobicContact CD2-CZ 3.52Å; I128-F132 WeakPolarHBondContact O-CB 3.44Å; I128-F132 PolarHBondContact O-N 2.84Å; R129-F132 PolarHBondContact O-N 2.8Å; F132-T134 VanDerWaalsContact C-N 3.34Å; F132-T134 PolarHBondContact O-N 2.91Å; F132-L135 PolarHBondContact O-N 2.92Å; F132-V136 HydrophobicContact CD1-CG2 4.38Å; F132-V136 HydrophobicContact CD2-CG2 4.19Å; F132-V136 HydrophobicContact CE1-CG2 3.97Å; F132-V136 HydrophobicContact CE2-CG2 3.77Å; F132-V136 HydrophobicContact CG-CG2 4.47Å; F132-V136 HydrophobicContact CZ-CG2 3.63Å; F132-V136 WeakPolarHBondContact O-CG2 3.49Å; F132-V136 PolarHBondContact O-N 2.89Å; F132-V158 HydrophobicContact CD1-CB 4.17Å; F132-V158 HydrophobicContact CD1-CG1 4.33Å; F132-V158 HydrophobicContact CD1-CG2 3.56Å; F132-V158 HydrophobicContact CE1-CB 4.09Å; F132-V158 HydrophobicContact CE1-CG1 3.93Å; F132-V158 HydrophobicContact CE1-CG2 3.99Å; F132-I170 HydrophobicContact CE1-CB 4.08Å; F132-I170 HydrophobicContact CE1-CG2 3.75Å; F132-I170 HydrophobicContact CZ-CB 4.41Å; F132-I170 HydrophobicContact CZ-CG2 3.77Å; F132-P172 HydrophobicContact CB-CG 4.27Å; F132-P172 HydrophobicContact CD1-CG 3.49Å; F132-P172 VanDerWaalsContact CD1-CG 3.49Å; F132-P172 HydrophobicContact CE1-CG 4.04Å; F132-P172 HydrophobicContact CG-CG 3.97Å
133Q98.5Very high97.4Very high40 Ų4041 Ų4119%0.18720%0.198CC..Hα-helixtrans-58.6-43.7174.8-172.9-179.341.100112.1R129 S130 R131 L135 V136 A137 M151 T155 E157 V158R129-Q133 VanDerWaalsContact O-CB 3.28Å; R129-Q133 WeakPolarHBondContact O-CB 3.44Å; R129-Q133 PolarHBondContact O-N 3.41Å; S130-Q133 PolarHBondContact O-N 2.85Å; R131-Q133 VanDerWaalsContact C-N 3.32Å; R131-Q133 PolarHBondContact O-N 3.48Å; Q133-L135 VanDerWaalsContact C-N 3.35Å; Q133-L135 PolarHBondContact O-N 3.15Å; Q133-V136 PolarHBondContact O-N 2.76Å; Q133-A137 WeakPolarHBondContact O-CB 3.29Å; Q133-A137 PolarHBondContact O-N 2.73Å; Q133-M151 HydrophobicContact CG-CE 4.15Å; Q133-M151 HydrophobicContact CG-SD 3.98Å; Q133-T155 PolarHBondContact NE2-O 3.3Å; Q133-E157 PolarHBondContact NE2-O 3.46Å; Q133-V158 HydrophobicContact CB-CG2 3.69Å; Q133-V158 HydrophobicContact CG-CG2 4.17Å
134T98.4Very high97.5Very high60 Ų6045 Ų4537%0.36823%0.227SC..Hα-helixtrans-62.6-43.2177.5-55.60000111.3S130 R131 F132 A137 Q138S130-T134 PolarHBondContact O-N 2.96Å; S130-T134 VanDerWaalsContact O-N 3.14Å; S130-T134 PolarHBondContact O-OG1 3.36Å; R131-T134 WeakPolarHBondContact O-CB 3.31Å; R131-T134 PolarHBondContact O-N 3.4Å; F132-T134 VanDerWaalsContact C-N 3.34Å; F132-T134 PolarHBondContact O-N 2.91Å; T134-A137 PolarHBondContact O-N 3.17Å; T134-Q138 WeakPolarHBondContact O-CG 3.36Å; T134-Q138 PolarHBondContact O-N 2.86Å
135L98.7Very high97.6Very high2 Ų248.7 Ų48.71%0.0124%0.241CC..Hα-helixtrans-64.5-43.7177.6-68.1165.9000111.5V45 Q48 E49 F52 R131 F132 Q133 Q138 A139V45-L135 HydrophobicContact CG1-CB 3.98Å; V45-L135 HydrophobicContact CG1-CD1 4.29Å; V45-L135 HydrophobicContact CG2-CB 4.34Å; Q48-L135 HydrophobicContact CB-CD2 4.03Å; E49-L135 HydrophobicContact CB-CD1 3.59Å; E49-L135 HydrophobicContact CB-CD2 4.16Å; E49-L135 HydrophobicContact CG-CD1 3.88Å; F52-L135 HydrophobicContact CD2-CD1 3.65Å; F52-L135 HydrophobicContact CE2-CD1 3.62Å; R131-L135 HydrophobicContact CG-CD1 4.16Å; R131-L135 WeakPolarHBondContact O-CG 3.45Å; R131-L135 PolarHBondContact O-N 2.78Å; R131-L135 VanDerWaalsContact O-N 3.1Å; F132-L135 PolarHBondContact O-N 2.92Å; Q133-L135 VanDerWaalsContact C-N 3.35Å; Q133-L135 PolarHBondContact O-N 3.15Å; L135-Q138 PolarHBondContact O-N 3.36Å; L135-A139 WeakPolarHBondContact O-CB 3.43Å; L135-A139 PolarHBondContact O-N 3.35Å
136V98.7Very high97.7Very high0 Ų054.8 Ų54.80%026%0.264CS..Hα-helixtrans-65.9-39.5178.3172.60000111.2V41 V45 F132 Q133 Q138 A139 V140 M151 V158 L160V41-V136 HydrophobicContact CG1-CG1 4.07Å; V45-V136 HydrophobicContact CG2-CB 4.46Å; V45-V136 HydrophobicContact CG2-CG2 3.71Å; F132-V136 HydrophobicContact CD1-CG2 4.38Å; F132-V136 HydrophobicContact CD2-CG2 4.19Å; F132-V136 HydrophobicContact CE1-CG2 3.97Å; F132-V136 HydrophobicContact CE2-CG2 3.77Å; F132-V136 HydrophobicContact CG-CG2 4.47Å; F132-V136 HydrophobicContact CZ-CG2 3.63Å; F132-V136 WeakPolarHBondContact O-CG2 3.49Å; F132-V136 PolarHBondContact O-N 2.89Å; Q133-V136 PolarHBondContact O-N 2.76Å; V136-Q138 VanDerWaalsContact C-N 3.28Å; V136-Q138 PolarHBondContact O-N 3.42Å; V136-A139 PolarHBondContact O-N 3Å; V136-A139 VanDerWaalsContact O-N 3.15Å; V136-V140 HydrophobicContact CG1-CG1 4.3Å; V136-V140 WeakPolarHBondContact O-CG1 3.37Å; V136-V140 PolarHBondContact O-N 3.36Å; V136-M151 HydrophobicContact CG1-SD 4.48Å; V136-V158 HydrophobicContact CB-CG1 3.88Å; V136-V158 HydrophobicContact CG1-CG1 3.67Å; V136-V158 HydrophobicContact CG2-CG1 3.85Å; V136-L160 HydrophobicContact CG1-CD2 3.74Å
137A98.3Very high97.8Very high27 Ų2755 Ų5522%0.22328%0.275CS..Hα-helixtrans-57.6-41.5173.900000112Q133 T134 V140 M151Q133-A137 WeakPolarHBondContact O-CB 3.29Å; Q133-A137 PolarHBondContact O-N 2.73Å; T134-A137 PolarHBondContact O-N 3.17Å; A137-V140 WeakPolarHBondContact O-CG2 3.48Å; A137-M151 HydrophobicContact CB-CE 3.58Å; A137-M151 HydrophobicContact CB-SD 3.84Å
138Q98.2Very high97.9Very high80 Ų8052.9 Ų52.937%0.37427%0.27SS..Hα-helixtrans-73.2-33.5176.4-67.1170.7-5.200112.6Q48 T134 L135 V136 K142Q48-Q138 VanDerWaalsContact OE1-OE1 3.11Å; T134-Q138 WeakPolarHBondContact O-CG 3.36Å; T134-Q138 PolarHBondContact O-N 2.86Å; L135-Q138 PolarHBondContact O-N 3.36Å; V136-Q138 VanDerWaalsContact C-N 3.28Å; V136-Q138 PolarHBondContact O-N 3.42Å; Q138-K142 WeakPolarHBondContact O-CG 3.48Å
139A98.5Very high98Very high0 Ų053 Ų530%027%0.271CS..Hα-helixtrans-70.6-39.4-179.900000112.3V41 E44 V45 L135 V136 D141 K142 C143V41-A139 HydrophobicContact CG1-CB 4.08Å; E44-A139 HydrophobicContact CB-CB 3.78Å; V45-A139 HydrophobicContact CG2-CB 3.6Å; L135-A139 WeakPolarHBondContact O-CB 3.43Å; L135-A139 PolarHBondContact O-N 3.35Å; V136-A139 PolarHBondContact O-N 3Å; V136-A139 VanDerWaalsContact O-N 3.15Å; A139-D141 PolarHBondContact O-N 2.62Å; A139-K142 PolarHBondContact O-N 3.08Å; A139-C143 VanDerWaalsContact O-CB 3.3Å; A139-C143 WeakPolarHBondContact O-CB 3.43Å; A139-C143 PolarHBondContact O-N 3.17Å
140V98.1Very high98Very high7 Ų758.4 Ų58.44%0.04229%0.294CS..Hα-helixtrans-62.1-29.1178.4-65.80000112.8V41 V136 A137 K142 R146 V149 M151 L160V41-V140 HydrophobicContact CG1-CG1 4.14Å; V41-V140 HydrophobicContact CG2-CG1 4.2Å; V136-V140 HydrophobicContact CG1-CG1 4.3Å; V136-V140 WeakPolarHBondContact O-CG1 3.37Å; V136-V140 PolarHBondContact O-N 3.36Å; A137-V140 WeakPolarHBondContact O-CG2 3.48Å; V140-K142 VanDerWaalsContact C-N 3.34Å; V140-R146 WeakPolarHBondContact O-CA 3.29Å; V140-R146 WeakPolarHBondContact O-CB 3.45Å; V140-V149 HydrophobicContact CB-CG1 4.3Å; V140-V149 HydrophobicContact CG1-CG1 4.3Å; V140-V149 HydrophobicContact CG1-CG2 4.26Å; V140-M151 HydrophobicContact CG2-CB 4.39Å; V140-L160 HydrophobicContact CG1-CD2 3.6Å
141D97.1Very high98.1Very high124 Ų12458 Ų5866%0.66329%0.286SS*.Hα-helixtrans-76.9-21.6177-67.3-28.5000113A139A139-D141 PolarHBondContact O-N 2.62Å
142K97.2Very high98.1Very high123 Ų12354.4 Ų54.454%0.53528%0.275SS..Hα-helixtrans-106.3-22.1-173.9-65.6175.6-173.5172.80113.9Q138 A139 V140Q138-K142 WeakPolarHBondContact O-CG 3.48Å; A139-K142 PolarHBondContact O-N 3.08Å; V140-K142 VanDerWaalsContact C-N 3.34Å
143C97.8Very high97.9Very high1 Ų157.7 Ų57.71%0.00730%0.302CS..SBendtrans-68.4164.7-171.979.10000113D40 V41 E44 A139 Y145 R146D40-C143 WeakPolarHBondContact OD2-CB 3.31Å; V41-C143 HydrophobicContact CG2-CB 4.26Å; E44-C143 HydrophobicContact CG-CB 3.96Å; A139-C143 VanDerWaalsContact O-CB 3.3Å; A139-C143 WeakPolarHBondContact O-CB 3.43Å; A139-C143 PolarHBondContact O-N 3.17Å; C143-Y145 PolarHBondContact O-N 3.26Å; C143-Y145 VanDerWaalsContact O-N 3.16Å; C143-R146 WeakPolarHBondContact O-CB 3.3Å; C143-R146 PolarHBondContact O-N 3.35Å; C143-R146 PolarHBondContact SG-N 3.12Å
144S98.2Very high97.6Very high86 Ų8664 Ų6460%0.60134%0.337SS*.THydrogen-bonded Turntrans-61.1-25.6179.7-490000112.2D40D40-S144 WeakPolarHBondContact OD1-CB 3.35Å; D40-S144 PolarHBondContact OD1-OG 3.43Å; D40-S144 WeakPolarHBondContact OD2-CA 3.25Å; D40-S144 VanDerWaalsContact OD2-CB 3.26Å; D40-S144 WeakPolarHBondContact OD2-CB 3.47Å; D40-S144 PolarHBondContact OD2-N 3.2Å; D40-S144 PolarHBondContact OD2-OG 2.75Å
145Y98.2Very high97.4Very high78 Ų7863 Ų6331%0.30633%0.331SS..THydrogen-bonded Turntrans-100.612.2-178.2-67-84.9000114.5V37 D40 C143 D147 V148 V149V37-Y145 HydrophobicContact CB-CD2 4.47Å; V37-Y145 HydrophobicContact CB-CG 4.41Å; V37-Y145 HydrophobicContact CG1-CG 4.23Å; V37-Y145 HydrophobicContact CG2-CD1 3.82Å; V37-Y145 HydrophobicContact CG2-CD2 4.24Å; V37-Y145 HydrophobicContact CG2-CE1 4.09Å; V37-Y145 HydrophobicContact CG2-CG 3.9Å; D40-Y145 HydrophobicContact CB-CD2 3.7Å; D40-Y145 HydrophobicContact CB-CE2 3.84Å; D40-Y145 WeakPolarHBondContact OD2-CD2 3.26Å; D40-Y145 PolarHBondContact OD2-N 2.86Å; C143-Y145 PolarHBondContact O-N 3.26Å; C143-Y145 VanDerWaalsContact O-N 3.16Å; Y145-D147 PolarHBondContact O-N 3.2Å; Y145-V148 HydrophobicContact CD1-CG2 3.92Å; Y145-V148 HydrophobicContact CG-CG2 4.39Å; Y145-V148 CarbonylContact O-C 3.58Å; Y145-V148 VanDerWaalsContact O-CG2 3.26Å; Y145-V148 WeakPolarHBondContact O-CG2 3.15Å; Y145-V148 PolarHBondContact O-N 2.97Å; Y145-V149 WeakPolarHBondContact O-CG1 3.38Å; Y145-V149 PolarHBondContact O-N 3.13Å; Y145-V149 VanDerWaalsContact O-N 3.08Å
146R96.7Very high97.1Very high128 Ų12864.5 Ų64.548%0.48334%0.341SS..THydrogen-bonded Turntrans-47.7-31.5-174.568.9-174.4-176.1-74.8-12.9115.6V140 C143 V148V140-R146 WeakPolarHBondContact O-CA 3.29Å; V140-R146 WeakPolarHBondContact O-CB 3.45Å; C143-R146 WeakPolarHBondContact O-CB 3.3Å; C143-R146 PolarHBondContact O-N 3.35Å; C143-R146 PolarHBondContact SG-N 3.12Å; R146-V148 VanDerWaalsContact C-N 3.27Å; R146-V148 PolarHBondContact O-N 2.85Å
147D97.8Very high97Very high129 Ų12965 Ų6569%0.6934%0.344SS*.THydrogen-bonded Turntrans-74-18.9-179.9-59.1-36.6000113Y145Y145-D147 PolarHBondContact O-N 3.2Å
148V97.9Very high97Very high50 Ų5063.7 Ų63.730%0.30333%0.333SS..THydrogen-bonded Turntrans-122.1-0.5-175.5-57.60000113.7Y145 R146 I162 R163Y145-V148 HydrophobicContact CD1-CG2 3.92Å; Y145-V148 HydrophobicContact CG-CG2 4.39Å; Y145-V148 CarbonylContact O-C 3.58Å; Y145-V148 VanDerWaalsContact O-CG2 3.26Å; Y145-V148 WeakPolarHBondContact O-CG2 3.15Å; Y145-V148 PolarHBondContact O-N 2.97Å; R146-V148 VanDerWaalsContact C-N 3.27Å; R146-V148 PolarHBondContact O-N 2.85Å; V148-I162 CarbonylContact O-C 3.6Å; V148-I162 WeakPolarHBondContact O-CA 3.25Å; V148-R163 HydrophobicContact CB-CG 3.86Å; V148-R163 HydrophobicContact CG1-CG 4.31Å; V148-R163 HydrophobicContact CG2-CG 4.44Å; V148-R163 PolarHBondContact O-N 2.9Å
149V98.6Very high97Very high3 Ų362.8 Ų62.82%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-123.2134.2173.967.30000110.9V37 V41 V140 Y145 L160 R161 I162V37-V149 HydrophobicContact CG1-CB 3.86Å; V37-V149 HydrophobicContact CG1-CG1 4.23Å; V37-V149 HydrophobicContact CG1-CG2 4.05Å; V41-V149 HydrophobicContact CG2-CG1 4.17Å; V140-V149 HydrophobicContact CB-CG1 4.3Å; V140-V149 HydrophobicContact CG1-CG1 4.3Å; V140-V149 HydrophobicContact CG1-CG2 4.26Å; Y145-V149 WeakPolarHBondContact O-CG1 3.38Å; Y145-V149 PolarHBondContact O-N 3.13Å; Y145-V149 VanDerWaalsContact O-N 3.08Å; V149-L160 HydrophobicContact CG2-CB 3.97Å; V149-L160 HydrophobicContact CG2-CD1 4.21Å; V149-L160 HydrophobicContact CG2-CD2 4.15Å; V149-L160 HydrophobicContact CG2-CG 4.34Å; V149-R161 WeakPolarHBondContact CA-O 3.16Å; V149-I162 HydrophobicContact CG2-CG1 4.03Å
150K98.2Very high97Very high125 Ų12562.8 Ų62.854%0.54333%0.328SS..EExtended strand (participates in β ladder)trans-131.3147.7173.2-65.3179.5-178.8169.80109.5L160 R161K150-L160 CarbonylContact O-C 3.58Å; K150-L160 WeakPolarHBondContact O-CA 3.49Å; K150-R161 PolarHBondContact N-O 3.06Å; K150-R161 PolarHBondContact O-N 3.11Å
151M97.9Very high97.1Very high56 Ų5666.7 Ų66.728%0.27634%0.342SS..EExtended strand (participates in β ladder)trans-76.2139.2168.2-162.2174.470.600109.8Q133 V136 A137 V140 K159Q133-M151 HydrophobicContact CG-CE 4.15Å; Q133-M151 HydrophobicContact CG-SD 3.98Å; V136-M151 HydrophobicContact CG1-SD 4.48Å; A137-M151 HydrophobicContact CB-CE 3.58Å; A137-M151 HydrophobicContact CB-SD 3.84Å; V140-M151 HydrophobicContact CG2-CB 4.39Å; M151-K159 CarbonylContact C-O 3.38Å; M151-K159 WeakPolarHBondContact CA-O 3.42Å; M151-K159 WeakPolarHBondContact CG-O 3.15Å
152V97.9Very high97.1Very high23 Ų2360.8 Ų60.814%0.13931%0.311CS..  trans-75.5128.6172.9-175.80000108.8K159 R161V152-K159 HydrophobicContact CB-CB 3.82Å; V152-K159 HydrophobicContact CG2-CB 3.73Å; V152-K159 PolarHBondContact N-O 3.3Å; V152-R161 HydrophobicContact CG2-CB 4.1Å
153A94.8Very high97.1Very high69 Ų6961.7 Ų61.757%0.5731%0.31SS*.  trans-81.8175.5178.300000112.7T155A153-T155 VanDerWaalsContact C-N 3.32Å; A153-T155 PolarHBondContact O-N 2.99Å
154D92.4Very high97.1Very high172 Ų17267.3 Ų67.392%0.9234%0.341SS*.SBendtrans58.136.1171.6-52.2-39.3000115.2
155T93.8Very high97.1Very high39 Ų3971.1 Ų71.124%0.23934%0.342CS..SBendtrans-148.9151.1176.5-177.50000110.5Q133 A153 E157Q133-T155 PolarHBondContact NE2-O 3.3Å; A153-T155 VanDerWaalsContact C-N 3.32Å; A153-T155 PolarHBondContact O-N 2.99Å; T155-E157 VanDerWaalsContact C-N 3.27Å; T155-E157 HydrophobicContact CG2-CB 4.47Å; T155-E157 WeakPolarHBondContact CG2-O 3.24Å; T155-E157 PolarHBondContact OG1-N 2.88Å
156S93.1Very high97.1Very high34 Ų3468 Ų6824%0.23833%0.329CS..SBendtrans-81.8-8.7169.886.30000112.9R129 E214R129-S156 WeakPolarHBondContact CD-O 3.31Å; R129-S156 WeakPolarHBondContact CG-O 3.46Å; R129-S156 PolarHBondContact NE-O 2.69Å; R129-S156 VanDerWaalsContact NE-O 3.08Å; R129-S156 PolarHBondContact NE-OG 3.4Å; R129-S156 PolarHBondContact NH2-OG 2.88Å; S156-E214 VanDerWaalsContact CB-OE1 3.31Å; S156-E214 WeakPolarHBondContact CB-OE1 3.36Å; S156-E214 PolarHBondContact OG-OE1 3.37Å
157E96.3Very high97.2Very high11 Ų1163.6 Ų63.65%0.05132%0.317CS..SBendtrans-80147.6177.8-57.9-62.2174.900111.4R129 Q133 T155 K159 Q169 K213 E214R129-E157 WeakPolarHBondContact CD-OE2 3.29Å; R129-E157 IonicContact NE-OE2 2.9Å; Q133-E157 PolarHBondContact NE2-O 3.46Å; T155-E157 VanDerWaalsContact C-N 3.27Å; T155-E157 HydrophobicContact CG2-CB 4.47Å; T155-E157 WeakPolarHBondContact CG2-O 3.24Å; T155-E157 PolarHBondContact OG1-N 2.88Å; E157-K159 HydrophobicContact CB-CD 4.31Å; E157-K159 HydrophobicContact CB-CG 4.15Å; E157-K159 PolarHBondContact O-N 3.24Å; E157-Q169 PolarHBondContact OE2-NE2 3.41Å; E157-K213 WeakPolarHBondContact OE1-CA 3.33Å; E157-K213 WeakPolarHBondContact OE1-CB 3.31Å; E157-E214 WeakPolarHBondContact OE1-CB 3.36Å; E157-E214 PolarHBondContact OE1-N 3.2Å
158V98.4Very high97.2Very high0 Ų057.4 Ų57.40%028%0.284CS..  trans-85.3103.2171.7-178.90000108.4F132 Q133 V136 Q169 I170F132-V158 HydrophobicContact CD1-CB 4.17Å; F132-V158 HydrophobicContact CD1-CG1 4.33Å; F132-V158 HydrophobicContact CD1-CG2 3.56Å; F132-V158 HydrophobicContact CE1-CB 4.09Å; F132-V158 HydrophobicContact CE1-CG1 3.93Å; F132-V158 HydrophobicContact CE1-CG2 3.99Å; Q133-V158 HydrophobicContact CB-CG2 3.69Å; Q133-V158 HydrophobicContact CG-CG2 4.17Å; V136-V158 HydrophobicContact CB-CG1 3.88Å; V136-V158 HydrophobicContact CG1-CG1 3.67Å; V136-V158 HydrophobicContact CG2-CG1 3.85Å; V158-Q169 CarbonylContact O-C 3.53Å; V158-Q169 VanDerWaalsContact O-CA 3.31Å; V158-Q169 WeakPolarHBondContact O-CA 3.48Å; V158-I170 HydrophobicContact CG1-CB 4.3Å; V158-I170 PolarHBondContact O-N 3.49Å
159K98.7Very high97.2Very high60 Ų6056 Ų5626%0.26127%0.274SS..EExtended strand (participates in β ladder)trans-123.3128.9179.8-71.2178-177.7176.40110.8M151 V152 E157 V167 V168 Q169M151-K159 CarbonylContact C-O 3.38Å; M151-K159 WeakPolarHBondContact CA-O 3.42Å; M151-K159 WeakPolarHBondContact CG-O 3.15Å; V152-K159 HydrophobicContact CB-CB 3.82Å; V152-K159 HydrophobicContact CG2-CB 3.73Å; V152-K159 PolarHBondContact N-O 3.3Å; E157-K159 HydrophobicContact CB-CD 4.31Å; E157-K159 HydrophobicContact CB-CG 4.15Å; E157-K159 PolarHBondContact O-N 3.24Å; K159-V167 HydrophobicContact CB-CG1 4.43Å; K159-V167 HydrophobicContact CD-CG1 4.48Å; K159-V168 CarbonylContact C-O 3.54Å; K159-V168 VanDerWaalsContact CA-O 3.3Å; K159-V168 WeakPolarHBondContact CA-O 3.43Å; K159-Q169 HydrophobicContact CG-CB 4Å; K159-Q169 HydrophobicContact CG-CG 4.18Å
160L98.7Very high97.2Very high0 Ų056 Ų560%027%0.273CS..EExtended strand (participates in β ladder)trans-99.9132.7172.6-57.7-175.7000109.4V38 V41 V136 V140 V149 K150 I162 V167 V168 I170V38-L160 HydrophobicContact CG2-CD1 4.35Å; V41-L160 HydrophobicContact CB-CD1 4.37Å; V41-L160 HydrophobicContact CG1-CD1 4.27Å; V41-L160 HydrophobicContact CG2-CD1 4.26Å; V136-L160 HydrophobicContact CG1-CD2 3.74Å; V140-L160 HydrophobicContact CG1-CD2 3.6Å; V149-L160 HydrophobicContact CG2-CB 3.97Å; V149-L160 HydrophobicContact CG2-CD1 4.21Å; V149-L160 HydrophobicContact CG2-CD2 4.15Å; V149-L160 HydrophobicContact CG2-CG 4.34Å; K150-L160 CarbonylContact O-C 3.58Å; K150-L160 WeakPolarHBondContact O-CA 3.49Å; L160-I162 HydrophobicContact CB-CG1 4.42Å; L160-V167 CarbonylContact O-C 3.55Å; L160-V167 VanDerWaalsContact O-CA 3.29Å; L160-V167 WeakPolarHBondContact O-CA 3.5Å; L160-V168 HydrophobicContact CB-CB 4.44Å; L160-V168 PolarHBondContact N-O 3.34Å; L160-V168 PolarHBondContact O-N 3.44Å; L160-I170 HydrophobicContact CD1-CD1 3.74Å; L160-I170 HydrophobicContact CG-CD1 4.17Å
161R98.7Very high97.3Very high90 Ų9050 Ų5034%0.3425%0.247SC..EExtended strand (participates in β ladder)trans-101.4115165.6-179.8170.3-67.2108.31.1108.4V149 K150 V152 D164 Y166V149-R161 WeakPolarHBondContact CA-O 3.16Å; K150-R161 PolarHBondContact N-O 3.06Å; K150-R161 PolarHBondContact O-N 3.11Å; V152-R161 HydrophobicContact CG2-CB 4.1Å; R161-D164 WeakPolarHBondContact CD-OD1 3.27Å; R161-Y166 CarbonylContact C-O 3.54Å; R161-Y166 WeakPolarHBondContact CA-O 3.29Å
162I98.6Very high97.3Very high0 Ų047.4 Ų47.40%024%0.235CC..EExtended strand (participates in β ladder)trans-107.2124.9-177-58169.2000108.8V34 V37 V148 V149 L160 D164 R165 Y166 V168V34-I162 HydrophobicContact CB-CD1 4.4Å; V34-I162 HydrophobicContact CG1-CD1 4.09Å; V34-I162 HydrophobicContact CG2-CD1 4.26Å; V37-I162 HydrophobicContact CB-CD1 3.86Å; V37-I162 HydrophobicContact CB-CG1 4.44Å; V37-I162 HydrophobicContact CG1-CD1 3.89Å; V37-I162 HydrophobicContact CG1-CG1 4Å; V37-I162 HydrophobicContact CG1-CG2 4.44Å; V37-I162 HydrophobicContact CG2-CD1 4.45Å; V37-I162 HydrophobicContact CG2-CG2 4.07Å; V148-I162 CarbonylContact O-C 3.6Å; V148-I162 WeakPolarHBondContact O-CA 3.25Å; V149-I162 HydrophobicContact CG2-CG1 4.03Å; L160-I162 HydrophobicContact CB-CG1 4.42Å; I162-D164 PolarHBondContact O-N 3.33Å; I162-D164 VanDerWaalsContact O-N 3.15Å; I162-R165 PolarHBondContact O-N 2.71Å; I162-Y166 PolarHBondContact N-O 2.97Å; I162-Y166 PolarHBondContact O-N 3.03Å; I162-V168 HydrophobicContact CD1-CG2 3.74Å
163R97.6Very high97.3Very high141 Ų14146.3 Ų46.353%0.53223%0.228SC..THydrogen-bonded Turntrans5232.8179.9-65.2175.4172.2-171.1-7.7113.4E33 V148 R165E33-R163 WeakPolarHBondContact OE1-CD 3.47Å; E33-R163 IonicContact OE1-CZ 3.26Å; E33-R163 VanDerWaalsContact OE1-CZ 3.26Å; E33-R163 IonicContact OE1-NE 3.42Å; E33-R163 PolarHBondContact OE1-NE 3.26Å; E33-R163 IonicContact OE1-NH1 2.65Å; E33-R163 PolarHBondContact OE1-NH1 3.19Å; E33-R163 IonicContact OE2-NH1 3.9Å; V148-R163 HydrophobicContact CB-CG 3.86Å; V148-R163 HydrophobicContact CG1-CG 4.31Å; V148-R163 HydrophobicContact CG2-CG 4.44Å; V148-R163 PolarHBondContact O-N 2.9Å; R163-R165 WeakPolarHBondContact O-CB 3.44Å; R163-R165 PolarHBondContact O-N 3.18Å
164D96.7Very high97.4Very high120 Ų12043.1 Ų43.164%0.64220%0.201SC*.THydrogen-bonded Turntrans50.619.9-174-66.4-34.3000115.2R161 I162R161-D164 WeakPolarHBondContact CD-OD1 3.27Å; I162-D164 PolarHBondContact O-N 3.33Å; I162-D164 VanDerWaalsContact O-N 3.15Å
165R97.3Very high97.6Very high166 Ų16638.9 Ų38.963%0.62618%0.175SC*.THydrogen-bonded Turntrans-125.3-41.1-172.4-176.2177.2177.6178.61113.1I162 R163I162-R165 PolarHBondContact O-N 2.71Å; R163-R165 WeakPolarHBondContact O-CB 3.44Å; R163-R165 PolarHBondContact O-N 3.18Å
166Y98.4Very high97.8Very high12 Ų1237 Ų375%0.04716%0.163CC..EExtended strand (participates in β ladder)trans-109.2140.1-175.5-48.7-60.1000110.2T30 V34 T72 R161 I162T30-Y166 HydrophobicContact CG2-CD1 3.7Å; T30-Y166 HydrophobicContact CG2-CD2 4.44Å; T30-Y166 HydrophobicContact CG2-CE1 3.42Å; T30-Y166 VanDerWaalsContact CG2-CE1 3.42Å; T30-Y166 HydrophobicContact CG2-CE2 4.2Å; T30-Y166 HydrophobicContact CG2-CG 4.21Å; V34-Y166 HydrophobicContact CG2-CD2 4.04Å; V34-Y166 HydrophobicContact CG2-CG 4.07Å; T72-Y166 HydrophobicContact CG2-CD1 4.07Å; T72-Y166 HydrophobicContact CG2-CE1 4.22Å; T72-Y166 CarbonylContact O-C 3.52Å; T72-Y166 VanDerWaalsContact O-CA 3.31Å; T72-Y166 WeakPolarHBondContact O-CA 3.36Å; R161-Y166 CarbonylContact C-O 3.54Å; R161-Y166 WeakPolarHBondContact CA-O 3.29Å; I162-Y166 PolarHBondContact N-O 2.97Å; I162-Y166 PolarHBondContact O-N 3.03Å
167V98.6Very high97.8Very high35 Ų3539.7 Ų39.721%0.21218%0.178CC..EExtended strand (participates in β ladder)trans-115.8130.8173.7179.60000109T72 E73 F74 K159 L160T72-V167 PolarHBondContact O-N 3.38Å; E73-V167 VanDerWaalsContact CA-O 3.3Å; E73-V167 WeakPolarHBondContact CA-O 3.29Å; E73-V167 HydrophobicContact CG-CB 4.3Å; F74-V167 PolarHBondContact N-O 3.49Å; K159-V167 HydrophobicContact CB-CG1 4.43Å; K159-V167 HydrophobicContact CD-CG1 4.48Å; L160-V167 CarbonylContact O-C 3.55Å; L160-V167 VanDerWaalsContact O-CA 3.29Å; L160-V167 WeakPolarHBondContact O-CA 3.5Å
168V98.7Very high97.6Very high0 Ų042.9 Ų42.90%021%0.214CC..EExtended strand (participates in β ladder)trans-128.2114.5-178.8-168.30000108.6V34 V38 F74 V76 K159 L160 I162V34-V168 HydrophobicContact CB-CG2 4.47Å; V34-V168 HydrophobicContact CG1-CB 4.4Å; V34-V168 HydrophobicContact CG1-CG1 4.28Å; V34-V168 HydrophobicContact CG1-CG2 3.29Å; V34-V168 HydrophobicContact CG2-CG2 4.42Å; V38-V168 HydrophobicContact CG2-CB 4.4Å; V38-V168 HydrophobicContact CG2-CG1 3.87Å; V38-V168 HydrophobicContact CG2-CG2 4.47Å; F74-V168 HydrophobicContact CB-CG1 4.35Å; F74-V168 WeakPolarHBondContact O-CA 3.45Å; V76-V168 HydrophobicContact CG2-CG1 3.88Å; K159-V168 CarbonylContact C-O 3.54Å; K159-V168 VanDerWaalsContact CA-O 3.3Å; K159-V168 WeakPolarHBondContact CA-O 3.43Å; L160-V168 HydrophobicContact CB-CB 4.44Å; L160-V168 PolarHBondContact N-O 3.34Å; L160-V168 PolarHBondContact O-N 3.44Å; I162-V168 HydrophobicContact CD1-CG2 3.74Å
169Q98.7Very high97.4Very high21 Ų2146.2 Ų46.210%0.09823%0.231CC..EExtended strand (participates in β ladder)trans-82.1134.1167.7-177166.9-35.800109.3F74 E75 V76 E157 V158 K159 T171F74-Q169 PolarHBondContact O-N 3.43Å; E75-Q169 CarbonylContact C-O 3.59Å; E75-Q169 WeakPolarHBondContact CA-O 3.38Å; E75-Q169 HydrophobicContact CG-CB 4.44Å; V76-Q169 PolarHBondContact N-O 3.09Å; E157-Q169 PolarHBondContact OE2-NE2 3.41Å; V158-Q169 CarbonylContact O-C 3.53Å; V158-Q169 VanDerWaalsContact O-CA 3.31Å; V158-Q169 WeakPolarHBondContact O-CA 3.48Å; K159-Q169 HydrophobicContact CG-CB 4Å; K159-Q169 HydrophobicContact CG-CG 4.18Å; Q169-T171 PolarHBondContact NE2-OG1 2.89Å; Q169-T171 VanDerWaalsContact NE2-OG1 3.09Å
170I98.7Very high97.4Very high1 Ų145.3 Ų45.31%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-111.6113.4171.5-52173.4000107.6V38 L42 V76 L78 F132 V158 L160V38-I170 HydrophobicContact CG1-CD1 3.87Å; V38-I170 HydrophobicContact CG1-CG1 4.35Å; L42-I170 HydrophobicContact CD2-CD1 4.4Å; L42-I170 HydrophobicContact CD2-CG2 4.44Å; V76-I170 CarbonylContact O-C 3.46Å; V76-I170 VanDerWaalsContact O-CA 3.32Å; V76-I170 WeakPolarHBondContact O-CA 3.43Å; L78-I170 HydrophobicContact CB-CG2 4Å; F132-I170 HydrophobicContact CE1-CB 4.08Å; F132-I170 HydrophobicContact CE1-CG2 3.75Å; F132-I170 HydrophobicContact CZ-CB 4.41Å; F132-I170 HydrophobicContact CZ-CG2 3.77Å; V158-I170 HydrophobicContact CG1-CB 4.3Å; V158-I170 PolarHBondContact O-N 3.49Å; L160-I170 HydrophobicContact CD1-CD1 3.74Å; L160-I170 HydrophobicContact CG-CD1 4.17Å
171T98.6Very high97.3Very high0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-110.7110.1-172.1-58.40000109.8E75 V76 V77 L78 Q169 A173 L211 K213E75-T171 WeakPolarHBondContact OE1-CB 3.43Å; E75-T171 PolarHBondContact OE1-OG1 3.02Å; V76-T171 PolarHBondContact O-N 3.09Å; V77-T171 WeakPolarHBondContact CA-O 3.34Å; L78-T171 PolarHBondContact N-O 3.32Å; Q169-T171 PolarHBondContact NE2-OG1 2.89Å; Q169-T171 VanDerWaalsContact NE2-OG1 3.09Å; T171-A173 PolarHBondContact O-N 3.23Å; T171-L211 HydrophobicContact CG2-CB 3.71Å; T171-L211 HydrophobicContact CG2-CD2 4.04Å; T171-L211 HydrophobicContact CG2-CG 3.88Å; T171-K213 HydrophobicContact CG2-CB 4.11Å; T171-K213 HydrophobicContact CG2-CD 4.34Å; T171-K213 HydrophobicContact CG2-CG 4.42Å
172P98.4Very high97.1Very high1 Ų150 Ų501%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-58.8136.6171.8-22.933.8000111L78 L80 I128 F132 S212L78-P172 CarbonylContact O-C 3.56Å; L78-P172 WeakPolarHBondContact O-CA 3.21Å; L80-P172 HydrophobicContact CD1-CB 4.16Å; L80-P172 HydrophobicContact CD2-CB 4.4Å; L80-P172 HydrophobicContact CG-CB 4.4Å; I128-P172 HydrophobicContact CG2-CB 4.12Å; F132-P172 HydrophobicContact CB-CG 4.27Å; F132-P172 HydrophobicContact CD1-CG 3.49Å; F132-P172 VanDerWaalsContact CD1-CG 3.49Å; F132-P172 HydrophobicContact CE1-CG 4.04Å; F132-P172 HydrophobicContact CG-CG 3.97Å; P172-S212 WeakPolarHBondContact O-CB 3.5Å; P172-S212 PolarHBondContact O-N 3.14Å
173A98.3Very high97Very high0 Ų051.6 Ų51.60%026%0.255CS..EExtended strand (participates in β ladder)trans-149.9159.3-176.900000114.1V77 L78 Y79 L80 T171 L210 L211V77-A173 HydrophobicContact CG1-CB 3.39Å; L78-A173 PolarHBondContact O-N 2.83Å; Y79-A173 WeakPolarHBondContact CA-O 3.14Å; Y79-A173 HydrophobicContact CD1-CB 4.41Å; L80-A173 PolarHBondContact N-O 2.82Å; T171-A173 PolarHBondContact O-N 3.23Å; A173-L210 CarbonylContact C-O 3.57Å; A173-L210 WeakPolarHBondContact CA-O 3.24Å; A173-L210 VanDerWaalsContact CB-O 3.23Å; A173-L210 WeakPolarHBondContact CB-O 3.46Å; A173-L211 HydrophobicContact CB-CD1 4.29Å; A173-L211 HydrophobicContact CB-CG 4.24Å
174F97.6Very high97Very high2 Ų244.9 Ų44.91%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-110.9135164.6-65.6-75.2000110L80 N81 M83 L100 W113 L123 N209 L210 W230L80-F174 HydrophobicContact CB-CD1 4.06Å; L80-F174 HydrophobicContact CB-CE1 3.73Å; L80-F174 HydrophobicContact CB-CZ 4.23Å; L80-F174 HydrophobicContact CD1-CE1 4.22Å; L80-F174 HydrophobicContact CD1-CE2 4.17Å; L80-F174 HydrophobicContact CD1-CZ 3.86Å; N81-F174 WeakPolarHBondContact O-CD1 3.48Å; N81-F174 WeakPolarHBondContact O-CE1 3.26Å; M83-F174 HydrophobicContact CB-CD1 4.11Å; M83-F174 HydrophobicContact CB-CE1 4.45Å; M83-F174 HydrophobicContact CB-CG 4.36Å; L100-F174 HydrophobicContact CD1-CD2 3.62Å; L100-F174 HydrophobicContact CD1-CE2 3.88Å; L100-F174 HydrophobicContact CD1-CG 4.45Å; W113-F174 AromaticContact NE1-CE1 3.9Å; W113-F174 AromaticContact NE1-CZ 3.82Å; L123-F174 HydrophobicContact CD2-CE2 3.52Å; L123-F174 HydrophobicContact CD2-CZ 3.73Å; F174-N209 WeakPolarHBondContact O-CA 3.48Å; F174-L210 HydrophobicContact CB-CB 4.43Å; F174-L210 PolarHBondContact N-O 2.83Å; F174-L210 PolarHBondContact O-N 3.43Å; F174-W230 HydrophobicContact CD2-CE3 4.19Å; F174-W230 AromaticContact CD2-CH2 3.64Å; F174-W230 HydrophobicContact CD2-CH2 3.64Å; F174-W230 HydrophobicContact CD2-CZ2 4.04Å; F174-W230 AromaticContact CD2-CZ3 3.71Å; F174-W230 HydrophobicContact CD2-CZ3 3.71Å; F174-W230 AromaticContact CE2-CH2 3.3Å; F174-W230 HydrophobicContact CE2-CH2 3.3Å; F174-W230 AromaticContact CE2-CZ2 3.58Å; F174-W230 HydrophobicContact CE2-CZ2 3.58Å; F174-W230 AromaticContact CE2-CZ3 3.88Å; F174-W230 HydrophobicContact CE2-CZ3 3.88Å; F174-W230 HydrophobicContact CZ-CH2 4.4Å
175K96.4Very high96.9Very high84 Ų8441.8 Ų41.837%0.36522%0.22SC..EExtended strand (participates in β ladder)trans-86.6128.6171.5-165.9166.6-167.61740109.1E64 Y79 T177E64-K175 IonicContact OE1-NZ 3.24Å; E64-K175 PolarHBondContact OE1-NZ 3.13Å; Y79-K175 HydrophobicContact CD1-CB 3.92Å; Y79-K175 HydrophobicContact CE1-CB 3.99Å; Y79-K175 HydrophobicContact CE1-CD 4.31Å; Y79-K175 HydrophobicContact CE1-CG 4.37Å; K175-T177 HydrophobicContact CG-CG2 4.46Å
176C96.3Very high96.9Very high0 Ų037.3 Ų37.30%021%0.207CC..EExtended strand (participates in β ladder)trans-117.3114-178.6-64.30000109.8I179 G207 F208C176-I179 HydrophobicContact CB-CD1 4.48Å; C176-G207 VanDerWaalsContact O-CA 3.26Å; C176-G207 WeakPolarHBondContact O-CA 3.4Å; C176-F208 WeakPolarHBondContact CA-O 3.12Å; C176-F208 HydrophobicContact CB-CD1 4Å; C176-F208 HydrophobicContact CB-CD2 4.12Å; C176-F208 HydrophobicContact CB-CE1 3.64Å; C176-F208 HydrophobicContact CB-CE2 3.74Å; C176-F208 HydrophobicContact CB-CG 4.25Å; C176-F208 HydrophobicContact CB-CZ 3.49Å; C176-F208 VanDerWaalsContact CB-CZ 3.49Å; C176-F208 WeakPolarHBondContact CB-O 3.24Å; C176-F208 PolarHBondContact N-O 2.99Å; C176-F208 PolarHBondContact O-N 2.87Å
177T94.3Very high96.9Very high89 Ų8937 Ų3755%0.54621%0.205SC..  trans-119.5160178.158.70000110.8K175 I179K175-T177 HydrophobicContact CG-CG2 4.46Å; T177-I179 PolarHBondContact O-N 2.98Å; T177-I179 VanDerWaalsContact O-N 3.14Å
178G91.6Very high96.9Very high78 Ų7837.3 Ų37.380%0.80421%0.208SC*.SBendtrans73.8-2.3179.100000115.4
179I94.8Very high96.7Very high71 Ų7140.1 Ų40.136%0.36422%0.223SC..  trans-132.7152.817454.7161.8000109.8F88 C176 T177 F208F88-I179 HydrophobicContact CB-CD1 3.79Å; F88-I179 HydrophobicContact CD1-CD1 3.77Å; F88-I179 HydrophobicContact CG-CD1 3.91Å; C176-I179 HydrophobicContact CB-CD1 4.48Å; T177-I179 PolarHBondContact O-N 2.98Å; T177-I179 VanDerWaalsContact O-N 3.14Å; I179-F208 HydrophobicContact CD1-CE1 4.16Å; I179-F208 HydrophobicContact CD1-CZ 4.1Å; I179-F208 HydrophobicContact CG1-CE1 3.98Å; I179-F208 HydrophobicContact CG1-CZ 4.42Å; I179-F208 WeakPolarHBondContact O-CE1 3.4Å
180W97.3Very high96.5Very high40 Ų4045.5 Ų45.515%0.15226%0.26CS..  trans-123.6137.9175.8-167.6-106.1000110.2A184 W187 K204 G207 F234 A237 F320W180-A184 HydrophobicContact CZ2-CB 4.25Å; W180-A184 PolarHBondContact NE1-O 3.49Å; W180-W187 HydrophobicContact CZ2-CE3 4.38Å; W180-K204 HydrophobicContact CD2-CD 4.47Å; W180-K204 HydrophobicContact CD2-CG 3.95Å; W180-K204 HydrophobicContact CE3-CB 4.26Å; W180-K204 HydrophobicContact CE3-CG 4.08Å; W180-K204 HydrophobicContact CG-CD 4.28Å; W180-K204 HydrophobicContact CG-CG 4.26Å; W180-G207 WeakPolarHBondContact CZ3-O 3.43Å; W180-F234 AromaticContact CH2-CD1 3.4Å; W180-F234 HydrophobicContact CH2-CD1 3.4Å; W180-F234 AromaticContact CH2-CE1 3.59Å; W180-F234 HydrophobicContact CH2-CE1 3.59Å; W180-F234 AromaticContact CZ2-CD1 3.95Å; W180-F234 HydrophobicContact CZ2-CD1 3.95Å; W180-F234 AromaticContact CZ2-CE1 3.74Å; W180-F234 HydrophobicContact CZ2-CE1 3.74Å; W180-F234 AromaticContact CZ3-CD1 3.91Å; W180-F234 HydrophobicContact CZ3-CD1 3.91Å; W180-F234 HydrophobicContact CZ3-CE1 4.03Å; W180-A237 HydrophobicContact CH2-CB 4.07Å; W180-A237 HydrophobicContact CZ3-CB 4.23Å; W180-F320 HydrophobicContact CH2-CE1 4.37Å; W180-F320 HydrophobicContact CH2-CZ 4.35Å; W180-F320 AromaticContact CZ2-CD1 3.93Å; W180-F320 HydrophobicContact CZ2-CD1 3.93Å; W180-F320 HydrophobicContact CZ2-CE1 4.04Å; W180-F320 HydrophobicContact CZ2-CG 4.27Å; W180-F320 HydrophobicContact CZ2-CZ 4.47Å
181P97.1Very high96.3Very high0 Ų052.4 Ų52.40%029%0.291CS..  trans-59.9139.4-177.1-26.138.2000112F88 D90 S183 A184 A185 F208 L232 F234F88-P181 HydrophobicContact CE1-CB 4.42Å; F88-P181 HydrophobicContact CZ-CB 3.95Å; F88-P181 HydrophobicContact CZ-CG 4.16Å; D90-P181 WeakPolarHBondContact OD2-CB 3.31Å; P181-S183 VanDerWaalsContact C-N 3.31Å; P181-S183 PolarHBondContact O-N 2.76Å; P181-A184 HydrophobicContact CB-CB 4.19Å; P181-A184 CarbonylContact O-C 3.5Å; P181-A184 PolarHBondContact O-N 3.37Å; P181-A184 VanDerWaalsContact O-N 3.08Å; P181-A185 PolarHBondContact O-N 3.02Å; P181-F208 VanDerWaalsContact CD-CD1 3.47Å; P181-F208 HydrophobicContact CG-CB 4.49Å; P181-F208 HydrophobicContact CG-CD1 3.58Å; P181-F208 HydrophobicContact CG-CD2 3.94Å; P181-F208 HydrophobicContact CG-CE1 3.61Å; P181-F208 HydrophobicContact CG-CE2 3.98Å; P181-F208 HydrophobicContact CG-CG 3.73Å; P181-F208 HydrophobicContact CG-CZ 3.82Å; P181-L232 HydrophobicContact CB-CD1 4.37Å; P181-L232 HydrophobicContact CB-CD2 4.41Å; P181-L232 HydrophobicContact CG-CD2 4.01Å; P181-F234 HydrophobicContact CB-CZ 4.48Å; P181-F234 HydrophobicContact CG-CE1 3.86Å; P181-F234 HydrophobicContact CG-CZ 3.84Å
182R95.8Very high96.2Very high190 Ų19053.6 Ų53.672%0.71730%0.298SS*.G310 helixtrans-64-39.7179.5-176.3-179.7175.7168.4-1111.2D90 A184 A185D90-R182 WeakPolarHBondContact O-CB 3.24Å; D90-R182 PolarHBondContact OD2-N 2.7Å; R182-A184 PolarHBondContact O-N 3.43Å; R182-A185 VanDerWaalsContact O-CB 3.3Å; R182-A185 WeakPolarHBondContact O-CB 3.42Å; R182-A185 PolarHBondContact O-N 2.87Å
183S95.4Very high96.1Very high32 Ų3258.3 Ų58.322%0.22433%0.328CS..G310 helixtrans-58.4-27174.255.60000112.9D90 P181 H186 L321D90-S183 PolarHBondContact OD1-OG 3.34Å; D90-S183 VanDerWaalsContact OD2-CB 3.23Å; D90-S183 WeakPolarHBondContact OD2-CB 3.23Å; D90-S183 PolarHBondContact OD2-N 3.43Å; D90-S183 PolarHBondContact OD2-OG 2.89Å; P181-S183 VanDerWaalsContact C-N 3.31Å; P181-S183 PolarHBondContact O-N 2.76Å; S183-H186 PolarHBondContact O-CE1 2.81Å; S183-H186 PolarHBondContact O-ND1 3.11Å; S183-L321 WeakPolarHBondContact OG-CD2 3.3Å
184A97.3Very high96.1Very high0 Ų058.7 Ų58.70%033%0.33CS..G310 helixtrans-103.12.517600000113.9W180 P181 R182 H186 W187 F234 F320 L321W180-A184 HydrophobicContact CZ2-CB 4.25Å; W180-A184 PolarHBondContact NE1-O 3.49Å; P181-A184 HydrophobicContact CB-CB 4.19Å; P181-A184 CarbonylContact O-C 3.5Å; P181-A184 PolarHBondContact O-N 3.37Å; P181-A184 VanDerWaalsContact O-N 3.08Å; R182-A184 PolarHBondContact O-N 3.43Å; A184-H186 PolarHBondContact O-N 3.16Å; A184-W187 WeakPolarHBondContact O-CB 3.06Å; A184-W187 PolarHBondContact O-N 3.4Å; A184-W187 VanDerWaalsContact O-N 3.14Å; A184-F234 HydrophobicContact CB-CE1 4.36Å; A184-F234 HydrophobicContact CB-CZ 4.03Å; A184-F320 WeakPolarHBondContact CA-O 3.35Å; A184-F320 HydrophobicContact CB-CB 4.16Å; A184-F320 WeakPolarHBondContact CB-O 3.36Å; A184-L321 HydrophobicContact CB-CD2 4.16Å
185A96.2Very high96.2Very high55 Ų5559 Ų5946%0.45533%0.332SS..THydrogen-bonded Turntrans-72.7-17.1-174.200000113.7P181 R182 W187P181-A185 PolarHBondContact O-N 3.02Å; R182-A185 VanDerWaalsContact O-CB 3.3Å; R182-A185 WeakPolarHBondContact O-CB 3.42Å; R182-A185 PolarHBondContact O-N 2.87Å; A185-W187 PolarHBondContact O-N 3.28Å
186H96.2Very high96.2Very high73 Ų7356.9 Ų56.934%0.33833%0.334SS..THydrogen-bonded Turntrans-65.1-15.6171.168.1-85000112.8S183 A184 P188 F320 P322S183-H186 PolarHBondContact O-CE1 2.81Å; S183-H186 PolarHBondContact O-ND1 3.11Å; A184-H186 PolarHBondContact O-N 3.16Å; H186-P188 CarbonylContact O-C 3.59Å; H186-P188 VanDerWaalsContact O-O 3.08Å; H186-F320 PolarHBondContact CE1-O 2.95Å; H186-F320 VanDerWaalsContact CE1-O 3.28Å; H186-P322 WeakPolarHBondContact CE1-CD 3.44Å; H186-P322 WeakPolarHBondContact NE2-CD 3.27Å
187W98.3Very high96.3Very high4 Ų462.1 Ų62.12%0.01537%0.368CS..PPolyproline II helixtrans-89.9137.6177.8-178.391000112W180 A184 A185 P195 V200 V203 K204 L241 Y319 F320W180-W187 HydrophobicContact CZ2-CE3 4.38Å; A184-W187 WeakPolarHBondContact O-CB 3.06Å; A184-W187 PolarHBondContact O-N 3.4Å; A184-W187 VanDerWaalsContact O-N 3.14Å; A185-W187 PolarHBondContact O-N 3.28Å; W187-P195 HydrophobicContact CH2-CG 4.22Å; W187-P195 HydrophobicContact CZ2-CG 3.88Å; W187-V200 HydrophobicContact CH2-CG1 4.31Å; W187-V200 HydrophobicContact CH2-CG2 4.44Å; W187-V200 HydrophobicContact CZ3-CG1 4.01Å; W187-V203 HydrophobicContact CH2-CB 3.8Å; W187-V203 HydrophobicContact CH2-CG1 3.51Å; W187-V203 HydrophobicContact CH2-CG2 4.28Å; W187-V203 HydrophobicContact CZ2-CG1 4.44Å; W187-V203 HydrophobicContact CZ3-CB 4.17Å; W187-V203 HydrophobicContact CZ3-CG1 3.72Å; W187-K204 HydrophobicContact CZ3-CG 4.17Å; W187-K204 WeakPolarHBondContact O-CE 3.48Å; W187-K204 PolarHBondContact O-NZ 3.34Å; W187-L241 HydrophobicContact CH2-CD1 4.34Å; W187-L241 HydrophobicContact CZ2-CD1 3.82Å; W187-L241 HydrophobicContact CZ2-CD2 4.44Å; W187-Y319 AromaticContact CD1-CE1 3.97Å; W187-Y319 AromaticContact NE1-CE1 3.46Å; W187-Y319 AromaticContact NE1-CZ 3.52Å; W187-Y319 PolarHBondContact NE1-OH 3.39Å; W187-F320 HydrophobicContact CB-CD1 4.3Å; W187-F320 AromaticContact CD2-CD1 3.88Å; W187-F320 HydrophobicContact CD2-CD1 3.88Å; W187-F320 AromaticContact CD2-CE1 3.54Å; W187-F320 HydrophobicContact CD2-CE1 3.54Å; W187-F320 AromaticContact CE2-CE1 3.62Å; W187-F320 HydrophobicContact CE3-CD1 4.27Å; W187-F320 AromaticContact CE3-CE1 3.78Å; W187-F320 HydrophobicContact CE3-CE1 3.78Å; W187-F320 AromaticContact CG-CD1 3.85Å; W187-F320 HydrophobicContact CG-CD1 3.85Å; W187-F320 AromaticContact CG-CE1 3.98Å; W187-F320 HydrophobicContact CG-CE1 3.98Å; W187-F320 HydrophobicContact CH2-CE1 4.21Å; W187-F320 AromaticContact CZ2-CE1 3.97Å; W187-F320 HydrophobicContact CZ2-CE1 3.97Å; W187-F320 HydrophobicContact CZ3-CE1 4.1Å
188P97.9Very high96.5Very high42 Ų4264.2 Ų64.227%0.27338%0.375SS..SBendcis-76.1156.2-434.5-38.5000112.5H186 V200H186-P188 CarbonylContact O-C 3.59Å; H186-P188 VanDerWaalsContact O-O 3.08Å; P188-V200 HydrophobicContact CB-CG2 4.46Å; P188-V200 HydrophobicContact CG-CG1 4.04Å; P188-V200 HydrophobicContact CG-CG2 3.84Å
189L96.3Very high96.8Very high60 Ų6064 Ų6431%0.31435%0.351SS..PPolyproline II helixtrans-73.2133.5176.7-68.5172.6000110.7H191 I192L189-H191 PolarHBondContact O-N 3.22Å; L189-I192 HydrophobicContact CB-CD1 3.8Å; L189-I192 HydrophobicContact CB-CG1 3.93Å; L189-I192 HydrophobicContact CD1-CD1 3.71Å; L189-I192 HydrophobicContact CG-CD1 4.26Å; L189-I192 PolarHBondContact O-N 3.34Å
190P93.6Very high97Very high133 Ų13361.6 Ų61.686%0.86434%0.339SS*.THydrogen-bonded Turntrans-59.1-25.3-172.7-27.634.4000115.9
191H95.3Very high97.1Very high146 Ų14662.7 Ų62.768%0.67636%0.356SS*.THydrogen-bonded Turntrans-89.1-4.4-178.660.1-88.5000113.5L189L189-H191 PolarHBondContact O-N 3.22Å
192I96.4Very high97.1Very high26 Ų2666.3 Ų66.313%0.13337%0.373CS..  trans-101.2116.8-179.1-55.8-175.9000107.9L189 W194 E283L189-I192 HydrophobicContact CB-CD1 3.8Å; L189-I192 HydrophobicContact CB-CG1 3.93Å; L189-I192 HydrophobicContact CD1-CD1 3.71Å; L189-I192 HydrophobicContact CG-CD1 4.26Å; L189-I192 PolarHBondContact O-N 3.34Å; I192-W194 WeakPolarHBondContact CG2-O 3.31Å; I192-W194 PolarHBondContact O-N 2.9Å; I192-W194 VanDerWaalsContact O-N 3.09Å; I192-E283 HydrophobicContact CD1-CB 4.08Å; I192-E283 VanDerWaalsContact CD1-CD 3.42Å; I192-E283 HydrophobicContact CD1-CG 4.09Å; I192-E283 VanDerWaalsContact CD1-OE2 3.31Å; I192-E283 WeakPolarHBondContact CD1-OE2 3.23Å; I192-E283 HydrophobicContact CG2-CB 3.76Å; I192-E283 HydrophobicContact CG2-CG 3.84Å
193P96.7Very high97.3Very high99 Ų9957.2 Ų57.264%0.64334%0.339SS*.  trans-7910.8-17532-34000113.4P286P193-P286 HydrophobicContact CG-CB 3.73Å; P193-P286 HydrophobicContact CG-CG 3.66Å
194W98.4Very high97.4Very high9 Ų958.9 Ų58.93%0.03434%0.342CS..  trans-131.5144.7-179.5-179.295.5000111.5I192 L241 C282 E283 P286I192-W194 WeakPolarHBondContact CG2-O 3.31Å; I192-W194 PolarHBondContact O-N 2.9Å; I192-W194 VanDerWaalsContact O-N 3.09Å; W194-L241 HydrophobicContact CH2-CD1 3.35Å; W194-L241 HydrophobicContact CH2-CD2 3.99Å; W194-L241 HydrophobicContact CH2-CG 3.48Å; W194-L241 VanDerWaalsContact CH2-CG 3.48Å; W194-L241 HydrophobicContact CZ2-CD1 3.87Å; W194-L241 HydrophobicContact CZ2-CG 4.2Å; W194-L241 HydrophobicContact CZ3-CD1 3.75Å; W194-L241 HydrophobicContact CZ3-CD2 4.26Å; W194-L241 HydrophobicContact CZ3-CG 4.13Å; W194-C282 HydrophobicContact CD2-CB 3.82Å; W194-C282 HydrophobicContact CE3-CB 3.72Å; W194-C282 HydrophobicContact CH2-CB 3.28Å; W194-C282 HydrophobicContact CZ2-CB 3.44Å; W194-C282 VanDerWaalsContact CZ2-CB 3.44Å; W194-C282 HydrophobicContact CZ3-CB 3.45Å; W194-C282 VanDerWaalsContact CZ3-CB 3.45Å; W194-E283 HydrophobicContact CE3-CG 4.14Å; W194-E283 HydrophobicContact CZ3-CG 4.37Å; W194-P286 HydrophobicContact CB-CB 3.45Å; W194-P286 VanDerWaalsContact CB-CB 3.45Å; W194-P286 VanDerWaalsContact CD1-O 3.24Å; W194-P286 HydrophobicContact CG-CB 4.38Å
195P98.4Very high97.5Very high9 Ų962.2 Ų62.26%0.05837%0.369CS..SBendcis-77.5166.7-8.636.3-37.5000111.1W187 R199 V200 L241W187-P195 HydrophobicContact CH2-CG 4.22Å; W187-P195 HydrophobicContact CZ2-CG 3.88Å; P195-R199 HydrophobicContact CB-CB 3.92Å; P195-R199 HydrophobicContact CB-CG 3.76Å; P195-R199 HydrophobicContact CG-CB 4.44Å; P195-R199 HydrophobicContact CG-CG 4.21Å; P195-V200 HydrophobicContact CG-CG2 3.77Å; P195-L241 HydrophobicContact CB-CD1 4.15Å; P195-L241 HydrophobicContact CG-CD1 3.64Å
196G97.7Very high97.5Very high39 Ų3962.2 Ų62.240%0.40236%0.36SS..  trans-60154.2175.300000112.3N198 R199 V200G196-N198 VanDerWaalsContact C-N 3.27Å; G196-N198 PolarHBondContact O-N 3.33Å; G196-N198 VanDerWaalsContact O-N 3.1Å; G196-R199 WeakPolarHBondContact O-CB 3.48Å; G196-R199 PolarHBondContact O-N 3.04Å; G196-V200 PolarHBondContact O-N 3.28Å; G196-V200 VanDerWaalsContact O-N 3.08Å
197P97.8Very high97.6Very high109 Ų10958.8 Ų58.871%0.70834%0.344SS*.Hα-helixtrans-53.8-37-172.2-28.534.9000115.1R199 V200 A201P197-R199 PolarHBondContact O-N 3.08Å; P197-V200 WeakPolarHBondContact O-CB 3.46Å; P197-V200 PolarHBondContact O-N 2.88Å; P197-A201 PolarHBondContact O-N 3.17Å
198N98.2Very high97.6Very high133 Ų13358.6 Ų58.671%0.71134%0.343SS*.Hα-helixtrans-62.2-43.8177-65.9-9.8000111.6G196 V200 A201 E202G196-N198 VanDerWaalsContact C-N 3.27Å; G196-N198 PolarHBondContact O-N 3.33Å; G196-N198 VanDerWaalsContact O-N 3.1Å; N198-V200 VanDerWaalsContact C-N 3.33Å; N198-V200 PolarHBondContact O-N 3.05Å; N198-A201 PolarHBondContact O-N 3.29Å; N198-E202 WeakPolarHBondContact O-CG 3.42Å; N198-E202 PolarHBondContact O-N 2.87Å
199R98.4Very high97.6Very high75 Ų7556.6 Ų56.628%0.28333%0.331SS..Hα-helixtrans-68-34.5176.5-177.47272.9-155-1.5111.3P195 G196 P197 A201 E202 V203P195-R199 HydrophobicContact CB-CB 3.92Å; P195-R199 HydrophobicContact CB-CG 3.76Å; P195-R199 HydrophobicContact CG-CB 4.44Å; P195-R199 HydrophobicContact CG-CG 4.21Å; G196-R199 WeakPolarHBondContact O-CB 3.48Å; G196-R199 PolarHBondContact O-N 3.04Å; P197-R199 PolarHBondContact O-N 3.08Å; R199-A201 VanDerWaalsContact C-N 3.33Å; R199-E202 IonicContact CZ-OE2 2.73Å; R199-E202 IonicContact NE-OE2 3.68Å; R199-E202 IonicContact NH1-OE1 3.87Å; R199-E202 IonicContact NH1-OE2 3.58Å; R199-E202 PolarHBondContact NH1-OE2 3.3Å; R199-E202 PolarHBondContact O-N 3.17Å; R199-V203 HydrophobicContact CG-CG2 4.27Å; R199-V203 WeakPolarHBondContact O-CB 3.47Å; R199-V203 WeakPolarHBondContact O-CG2 3.42Å; R199-V203 PolarHBondContact O-N 2.84Å
200V98.6Very high97.7Very high19 Ų1953.8 Ų53.812%0.11532%0.316CS..Hα-helixtrans-58.6-47172.7177.20000110.5W187 P188 P195 G196 P197 N198 V203 K204W187-V200 HydrophobicContact CH2-CG1 4.31Å; W187-V200 HydrophobicContact CH2-CG2 4.44Å; W187-V200 HydrophobicContact CZ3-CG1 4.01Å; P188-V200 HydrophobicContact CB-CG2 4.46Å; P188-V200 HydrophobicContact CG-CG1 4.04Å; P188-V200 HydrophobicContact CG-CG2 3.84Å; P195-V200 HydrophobicContact CG-CG2 3.77Å; G196-V200 PolarHBondContact O-N 3.28Å; G196-V200 VanDerWaalsContact O-N 3.08Å; P197-V200 WeakPolarHBondContact O-CB 3.46Å; P197-V200 PolarHBondContact O-N 2.88Å; N198-V200 VanDerWaalsContact C-N 3.33Å; N198-V200 PolarHBondContact O-N 3.05Å; V200-V203 PolarHBondContact O-N 2.76Å; V200-K204 HydrophobicContact CG1-CD 4.4Å; V200-K204 PolarHBondContact O-N 3.39Å
201A98.4Very high97.9Very high63 Ų6347.4 Ų47.452%0.52128%0.275SS..Hα-helixtrans-61.4-45.4177.800000111.5P197 N198 R199 V203 K204 A205P197-A201 PolarHBondContact O-N 3.17Å; N198-A201 PolarHBondContact O-N 3.29Å; R199-A201 VanDerWaalsContact C-N 3.33Å; A201-V203 PolarHBondContact O-N 3.19Å; A201-K204 PolarHBondContact O-N 2.85Å; A201-A205 VanDerWaalsContact O-CB 3.27Å; A201-A205 WeakPolarHBondContact O-CB 3.26Å; A201-A205 PolarHBondContact O-N 2.95Å
202E98.5Very high98Very high76 Ų7640.5 Ų40.536%0.35524%0.242SC..Hα-helixtrans-59.7-45.7175.3-68.8170.7-158.600112.4N198 R199 K204 A205 E206 R240N198-E202 WeakPolarHBondContact O-CG 3.42Å; N198-E202 PolarHBondContact O-N 2.87Å; R199-E202 IonicContact CZ-OE2 2.73Å; R199-E202 IonicContact NE-OE2 3.68Å; R199-E202 IonicContact NH1-OE1 3.87Å; R199-E202 IonicContact NH1-OE2 3.58Å; R199-E202 PolarHBondContact NH1-OE2 3.3Å; R199-E202 PolarHBondContact O-N 3.17Å; E202-K204 PolarHBondContact O-N 3.22Å; E202-A205 WeakPolarHBondContact O-CB 3.47Å; E202-A205 PolarHBondContact O-N 3.15Å; E202-E206 WeakPolarHBondContact O-CG 3.29Å; E202-E206 PolarHBondContact O-N 3.48Å; E202-E206 VanDerWaalsContact O-N 3.16Å; E202-R240 HydrophobicContact CB-CG 4.01Å; E202-R240 WeakPolarHBondContact OE2-CD 3.5Å
203V98.6Very high97.8Very high0 Ų041.4 Ų41.40%025%0.246CC..Hα-helixtrans-62.5-43.6179.5169.80000111.2W187 R199 V200 A201 A205 E206 A237 R240 L241 F320W187-V203 HydrophobicContact CH2-CB 3.8Å; W187-V203 HydrophobicContact CH2-CG1 3.51Å; W187-V203 HydrophobicContact CH2-CG2 4.28Å; W187-V203 HydrophobicContact CZ2-CG1 4.44Å; W187-V203 HydrophobicContact CZ3-CB 4.17Å; W187-V203 HydrophobicContact CZ3-CG1 3.72Å; R199-V203 HydrophobicContact CG-CG2 4.27Å; R199-V203 WeakPolarHBondContact O-CB 3.47Å; R199-V203 WeakPolarHBondContact O-CG2 3.42Å; R199-V203 PolarHBondContact O-N 2.84Å; V200-V203 PolarHBondContact O-N 2.76Å; A201-V203 PolarHBondContact O-N 3.19Å; V203-A205 VanDerWaalsContact C-N 3.32Å; V203-E206 PolarHBondContact O-N 3.37Å; V203-A237 HydrophobicContact CG1-CB 3.9Å; V203-A237 WeakPolarHBondContact O-CB 3.35Å; V203-R240 HydrophobicContact CG2-CB 4.15Å; V203-R240 HydrophobicContact CG2-CG 3.83Å; V203-L241 HydrophobicContact CG2-CB 3.81Å; V203-L241 HydrophobicContact CG2-CD1 4.14Å; V203-F320 HydrophobicContact CG1-CE1 4.44Å; V203-F320 HydrophobicContact CG1-CZ 3.98Å
204K98.5Very high97.4Very high67 Ų6741.3 Ų41.329%0.29124%0.237SC..Hα-helixtrans-68.9-31.1176-70.6-173176179.90112.4W180 W187 V200 A201 E202 E206 G207W180-K204 HydrophobicContact CD2-CD 4.47Å; W180-K204 HydrophobicContact CD2-CG 3.95Å; W180-K204 HydrophobicContact CE3-CB 4.26Å; W180-K204 HydrophobicContact CE3-CG 4.08Å; W180-K204 HydrophobicContact CG-CD 4.28Å; W180-K204 HydrophobicContact CG-CG 4.26Å; W187-K204 HydrophobicContact CZ3-CG 4.17Å; W187-K204 WeakPolarHBondContact O-CE 3.48Å; W187-K204 PolarHBondContact O-NZ 3.34Å; V200-K204 HydrophobicContact CG1-CD 4.4Å; V200-K204 PolarHBondContact O-N 3.39Å; A201-K204 PolarHBondContact O-N 2.85Å; E202-K204 PolarHBondContact O-N 3.22Å; K204-E206 VanDerWaalsContact C-N 3.33Å; K204-G207 PolarHBondContact O-N 3.24Å; K204-G207 VanDerWaalsContact O-N 3.14Å
205A98.1Very high96.5Very high69 Ų6941.8 Ų41.857%0.5724%0.241SC*.Hα-helixtrans-67.9-30.3177.600000113A201 E202 V203 G207A201-A205 VanDerWaalsContact O-CB 3.27Å; A201-A205 WeakPolarHBondContact O-CB 3.26Å; A201-A205 PolarHBondContact O-N 2.95Å; E202-A205 WeakPolarHBondContact O-CB 3.47Å; E202-A205 PolarHBondContact O-N 3.15Å; V203-A205 VanDerWaalsContact C-N 3.32Å; A205-G207 PolarHBondContact O-N 3.41Å
206E97.8Very high95.2Very high56 Ų5648.7 Ų48.726%0.26227%0.267SS..THydrogen-bonded Turntrans-61.5-25171.4-62.4-65.8172.900112.3E202 V203 K204 E236 A237 R240E202-E206 WeakPolarHBondContact O-CG 3.29Å; E202-E206 PolarHBondContact O-N 3.48Å; E202-E206 VanDerWaalsContact O-N 3.16Å; V203-E206 PolarHBondContact O-N 3.37Å; K204-E206 VanDerWaalsContact C-N 3.33Å; E206-E236 HydrophobicContact CB-CB 4.07Å; E206-A237 HydrophobicContact CB-CB 4.26Å; E206-R240 HydrophobicContact CG-CB 3.9Å; E206-R240 HydrophobicContact CG-CG 4.16Å; E206-R240 IonicContact OE1-CZ 2.89Å; E206-R240 IonicContact OE1-NE 3.14Å; E206-R240 PolarHBondContact OE1-NE 3.46Å; E206-R240 IonicContact OE1-NH2 3.09Å; E206-R240 PolarHBondContact OE1-NH2 2.57Å
207G97.8Very high93.6Very high0 Ų047.3 Ų47.30%025%0.251CS..  trans74.3-149.6179.900000113.5C176 W180 K204 A205C176-G207 VanDerWaalsContact O-CA 3.26Å; C176-G207 WeakPolarHBondContact O-CA 3.4Å; W180-G207 WeakPolarHBondContact CZ3-O 3.43Å; K204-G207 PolarHBondContact O-N 3.24Å; K204-G207 VanDerWaalsContact O-N 3.14Å; A205-G207 PolarHBondContact O-N 3.41Å
208F98.3Very high92.1Very high0 Ų043.2 Ų43.20%022%0.223CC..EExtended strand (participates in β ladder)trans-152.1168.5-178.666-82000110.8F88 C176 I179 P181 L210 L232 Q233 F234F88-F208 HydrophobicContact CD1-CZ 4.19Å; F88-F208 HydrophobicContact CD2-CE2 4.01Å; F88-F208 AromaticContact CD2-CZ 3.82Å; F88-F208 HydrophobicContact CD2-CZ 3.82Å; F88-F208 AromaticContact CE1-CZ 3.93Å; F88-F208 HydrophobicContact CE1-CZ 3.93Å; F88-F208 AromaticContact CE2-CE2 3.52Å; F88-F208 HydrophobicContact CE2-CE2 3.52Å; F88-F208 AromaticContact CE2-CZ 3.51Å; F88-F208 HydrophobicContact CE2-CZ 3.51Å; F88-F208 HydrophobicContact CG-CZ 4.12Å; F88-F208 AromaticContact CZ-CE2 3.9Å; F88-F208 HydrophobicContact CZ-CE2 3.9Å; F88-F208 AromaticContact CZ-CZ 3.56Å; F88-F208 HydrophobicContact CZ-CZ 3.56Å; C176-F208 WeakPolarHBondContact CA-O 3.12Å; C176-F208 HydrophobicContact CB-CD1 4Å; C176-F208 HydrophobicContact CB-CD2 4.12Å; C176-F208 HydrophobicContact CB-CE1 3.64Å; C176-F208 HydrophobicContact CB-CE2 3.74Å; C176-F208 HydrophobicContact CB-CG 4.25Å; C176-F208 HydrophobicContact CB-CZ 3.49Å; C176-F208 VanDerWaalsContact CB-CZ 3.49Å; C176-F208 WeakPolarHBondContact CB-O 3.24Å; C176-F208 PolarHBondContact N-O 2.99Å; C176-F208 PolarHBondContact O-N 2.87Å; I179-F208 HydrophobicContact CD1-CE1 4.16Å; I179-F208 HydrophobicContact CD1-CZ 4.1Å; I179-F208 HydrophobicContact CG1-CE1 3.98Å; I179-F208 HydrophobicContact CG1-CZ 4.42Å; I179-F208 WeakPolarHBondContact O-CE1 3.4Å; P181-F208 VanDerWaalsContact CD-CD1 3.47Å; P181-F208 HydrophobicContact CG-CB 4.49Å; P181-F208 HydrophobicContact CG-CD1 3.58Å; P181-F208 HydrophobicContact CG-CD2 3.94Å; P181-F208 HydrophobicContact CG-CE1 3.61Å; P181-F208 HydrophobicContact CG-CE2 3.98Å; P181-F208 HydrophobicContact CG-CG 3.73Å; P181-F208 HydrophobicContact CG-CZ 3.82Å; F208-L210 HydrophobicContact CD2-CD2 4.39Å; F208-L210 HydrophobicContact CD2-CG 4.47Å; F208-L210 HydrophobicContact CE2-CD2 3.89Å; F208-L210 HydrophobicContact CE2-CG 3.97Å; F208-L232 HydrophobicContact CD2-CD2 3.54Å; F208-L232 HydrophobicContact CE2-CD2 3.57Å; F208-Q233 WeakPolarHBondContact CA-O 3.14Å; F208-Q233 WeakPolarHBondContact CB-O 3.21Å; F208-F234 HydrophobicContact CB-CD1 3.73Å; F208-F234 HydrophobicContact CB-CE1 3.73Å; F208-F234 HydrophobicContact CB-CZ 4.5Å; F208-F234 HydrophobicContact CG-CE1 4.41Å
209N98.3Very high90.3Very high1 Ų141.6 Ų41.61%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-115.4148178.2-53.8-44.6000110.6Y79 F174 L211 Q233 E236Y79-N209 HydrophobicContact CE1-CB 4.5Å; Y79-N209 WeakPolarHBondContact CE1-OD1 3.22Å; Y79-N209 PolarHBondContact OH-ND2 3.08Å; F174-N209 WeakPolarHBondContact O-CA 3.48Å; N209-L211 HydrophobicContact CB-CD1 3.5Å; N209-Q233 HydrophobicContact CB-CB 4.35Å; N209-Q233 PolarHBondContact N-O 3.46Å; N209-Q233 PolarHBondContact ND2-OE1 3.04Å; N209-Q233 VanDerWaalsContact ND2-OE1 3.08Å; N209-Q233 PolarHBondContact O-N 3.04Å; N209-E236 PolarHBondContact ND2-OE2 3.22Å
210L97.9Very high88.1Confident0 Ų041.7 Ų41.70%024%0.239CC..EExtended strand (participates in β ladder)trans-109.2109.9171.8-71.3178.3000108.6F88 A98 L100 A173 F174 F208 W230 V231 L232F88-L210 HydrophobicContact CD2-CD1 4.06Å; F88-L210 HydrophobicContact CD2-CD2 4.37Å; F88-L210 HydrophobicContact CE2-CD2 4.08Å; A98-L210 HydrophobicContact CB-CD2 4.06Å; L100-L210 HydrophobicContact CD1-CD1 4.03Å; L100-L210 HydrophobicContact CD2-CD1 3.75Å; L100-L210 HydrophobicContact CG-CD1 3.9Å; A173-L210 CarbonylContact C-O 3.57Å; A173-L210 WeakPolarHBondContact CA-O 3.24Å; A173-L210 VanDerWaalsContact CB-O 3.23Å; A173-L210 WeakPolarHBondContact CB-O 3.46Å; F174-L210 HydrophobicContact CB-CB 4.43Å; F174-L210 PolarHBondContact N-O 2.83Å; F174-L210 PolarHBondContact O-N 3.43Å; F208-L210 HydrophobicContact CD2-CD2 4.39Å; F208-L210 HydrophobicContact CD2-CG 4.47Å; F208-L210 HydrophobicContact CE2-CD2 3.89Å; F208-L210 HydrophobicContact CE2-CG 3.97Å; L210-W230 HydrophobicContact CB-CB 3.84Å; L210-W230 HydrophobicContact CB-CD2 4.38Å; L210-W230 HydrophobicContact CB-CE3 4.14Å; L210-W230 HydrophobicContact CB-CG 4.3Å; L210-W230 HydrophobicContact CD2-CB 3.94Å; L210-W230 HydrophobicContact CG-CB 4.35Å; L210-V231 CarbonylContact C-O 3.6Å; L210-V231 WeakPolarHBondContact CA-O 3.36Å; L210-L232 HydrophobicContact CD2-CD2 3.7Å
211L97.9Very high85.9Confident0 Ų047 Ų470%026%0.26CS..EExtended strand (participates in β ladder)trans-101.4133.5-173.3-79.565.9000110.5V77 T171 A173 N209 K213 V231 Q233V77-L211 HydrophobicContact CG2-CD2 4.42Å; T171-L211 HydrophobicContact CG2-CB 3.71Å; T171-L211 HydrophobicContact CG2-CD2 4.04Å; T171-L211 HydrophobicContact CG2-CG 3.88Å; A173-L211 HydrophobicContact CB-CD1 4.29Å; A173-L211 HydrophobicContact CB-CG 4.24Å; N209-L211 HydrophobicContact CB-CD1 3.5Å; L211-K213 HydrophobicContact CB-CD 4.45Å; L211-K213 HydrophobicContact CB-CG 4.18Å; L211-K213 HydrophobicContact CD2-CD 4.18Å; L211-K213 PolarHBondContact O-N 3.27Å; L211-V231 HydrophobicContact CB-CB 4.25Å; L211-V231 PolarHBondContact N-O 2.81Å; L211-V231 PolarHBondContact O-N 3.49Å; L211-Q233 HydrophobicContact CD1-CB 3.49Å; L211-Q233 VanDerWaalsContact CD1-CB 3.49Å; L211-Q233 HydrophobicContact CD1-CG 4.34Å; L211-Q233 HydrophobicContact CD2-CB 4.16Å; L211-Q233 HydrophobicContact CD2-CG 4.39Å; L211-Q233 HydrophobicContact CG-CB 4.48Å
212S96.8Very high83.4Confident0 Ų053.3 Ų53.30%028%0.279CS..  trans-8586.3167.8-1760000110A125 R129 P172A125-S212 WeakPolarHBondContact CB-OG 3.29Å; A125-S212 PolarHBondContact O-OG 2.94Å; R129-S212 WeakPolarHBondContact CB-OG 2.91Å; R129-S212 WeakPolarHBondContact CD-O 3.43Å; R129-S212 PolarHBondContact NH1-OG 2.91Å; P172-S212 WeakPolarHBondContact O-CB 3.5Å; P172-S212 PolarHBondContact O-N 3.14Å
213K93.7Very high81.5Confident46 Ų4652.1 Ų52.120%0.228%0.279CS..SBendtrans-145166172.264.6-179174.4-167.80111.3E75 E157 T171 L211 V231E75-K213 VanDerWaalsContact CD-NZ 3.34Å; E75-K213 IonicContact OE1-NZ 3.07Å; E75-K213 PolarHBondContact OE1-NZ 3.39Å; E75-K213 IonicContact OE2-NZ 3.15Å; E75-K213 PolarHBondContact OE2-NZ 3.33Å; E157-K213 WeakPolarHBondContact OE1-CA 3.33Å; E157-K213 WeakPolarHBondContact OE1-CB 3.31Å; T171-K213 HydrophobicContact CG2-CB 4.11Å; T171-K213 HydrophobicContact CG2-CD 4.34Å; T171-K213 HydrophobicContact CG2-CG 4.42Å; L211-K213 HydrophobicContact CB-CD 4.45Å; L211-K213 HydrophobicContact CB-CG 4.18Å; L211-K213 HydrophobicContact CD2-CD 4.18Å; L211-K213 PolarHBondContact O-N 3.27Å; K213-V231 HydrophobicContact CG-CB 4.14Å; K213-V231 HydrophobicContact CG-CG2 3.86Å; K213-V231 WeakPolarHBondContact O-CG2 3.29Å
214E86.8Confident79.6Confident97 Ų9756.6 Ų56.645%0.45331%0.31SS..  trans-67143.8173-67-179.9-178.700111S156 E157S156-E214 VanDerWaalsContact CB-OE1 3.31Å; S156-E214 WeakPolarHBondContact CB-OE1 3.36Å; S156-E214 PolarHBondContact OG-OE1 3.37Å; E157-E214 WeakPolarHBondContact OE1-CB 3.36Å; E157-E214 PolarHBondContact OE1-N 3.2Å
215C81.1Confident77.5Confident19 Ų1955.7 Ų55.713%0.12832%0.315CS..  trans-122.9122.9173.5-1680000109.6S217 L218 V231C215-S217 PolarHBondContact O-N 3.48Å; C215-S217 VanDerWaalsContact O-N 3.11Å; C215-S217 PolarHBondContact SG-OG 3.23Å; C215-L218 HydrophobicContact CB-CD1 4.23Å; C215-L218 HydrophobicContact CB-CG 4.27Å; C215-L218 PolarHBondContact O-N 3.47Å; C215-V231 HydrophobicContact CB-CG2 3.85Å
216Y69.8Low75.9Confident153 Ų15354 Ų5460%0.630%0.296SS*.G310 helixtrans-59.2-24.9179.8-73.9-82.5000113.2L218 N219Y216-L218 PolarHBondContact O-N 3.21Å; Y216-N219 WeakPolarHBondContact CD1-ND2 3.36Å; Y216-N219 PolarHBondContact O-N 2.9Å
217S64.8Low74.3Confident10 Ų1052.8 Ų52.87%0.0729%0.293CS..G310 helixtrans-64.1-18.9175.870.20000113.9P95 C215 Q328P95-S217 PolarHBondContact O-OG 2.96Å; C215-S217 PolarHBondContact O-N 3.48Å; C215-S217 VanDerWaalsContact O-N 3.11Å; C215-S217 PolarHBondContact SG-OG 3.23Å; S217-Q328 VanDerWaalsContact CA-OE1 3.29Å; S217-Q328 VanDerWaalsContact CB-OE1 3.26Å
218L65Low73.4Confident24 Ų2453.7 Ų53.713%0.12630%0.298CS..G310 helixtrans-105.3-4.5-177.9-54.8179.9000112.8L94 C97 C215 Y216 G220 K221 E226L94-L218 HydrophobicContact CD2-CD2 4.05Å; C97-L218 HydrophobicContact CB-CD1 4.34Å; C215-L218 HydrophobicContact CB-CD1 4.23Å; C215-L218 HydrophobicContact CB-CG 4.27Å; C215-L218 PolarHBondContact O-N 3.47Å; Y216-L218 PolarHBondContact O-N 3.21Å; L218-G220 PolarHBondContact O-N 3.39Å; L218-K221 PolarHBondContact O-N 3.14Å; L218-E226 WeakPolarHBondContact CD1-O 3.39Å; L218-E226 HydrophobicContact CD2-CG 4.4Å
219N61.8Low73.2Confident98 Ų9854.1 Ų54.152%0.52430%0.301SS..THydrogen-bonded Turntrans-64.8124.1179.3-80.2-3.4000110.9Y216Y216-N219 WeakPolarHBondContact CD1-ND2 3.36Å; Y216-N219 PolarHBondContact O-N 2.9Å
220G51.8Low73.1Confident77 Ų7754 Ų5479%0.79430%0.301SS*.THydrogen-bonded Turntrans92.4-6.217800000115.7L218L218-G220 PolarHBondContact O-N 3.39Å
221K51.8Low73Confident131 Ų13154.8 Ų54.857%0.5731%0.306SS*.  trans-100.3106.6171.8-61.6-175.8-178.91780108.8L218 S223 E226L218-K221 PolarHBondContact O-N 3.14Å; K221-S223 PolarHBondContact O-N 3.39Å; K221-E226 WeakPolarHBondContact CB-OE1 3.48Å; K221-E226 VanDerWaalsContact CB-OE2 3.31Å; K221-E226 WeakPolarHBondContact CB-OE2 3.17Å
222Q46.9Very low73Confident195 Ų19555.2 Ų55.291%0.91131%0.308SS*.  trans-94.945.2-169.3-66.2-176.8-2.700112.6
223S58.1Low73Confident51 Ų5156 Ų5636%0.35731%0.312SS..  trans-86.5143.4164.577.90000110.4K221 A225 E226 S227K221-S223 PolarHBondContact O-N 3.39Å; S223-A225 PolarHBondContact O-N 3.01Å; S223-E226 VanDerWaalsContact CB-OE2 3.29Å; S223-E226 WeakPolarHBondContact CB-OE2 3.35Å; S223-E226 PolarHBondContact N-OE2 2.96Å; S223-E226 VanDerWaalsContact N-OE2 3.09Å; S223-E226 PolarHBondContact O-N 2.9Å; S223-E226 WeakPolarHBondContact OG-CB 3.48Å; S223-E226 WeakPolarHBondContact OG-CG 3.33Å; S223-E226 PolarHBondContact OG-N 2.78Å; S223-E226 PolarHBondContact OG-OE2 3.47Å; S223-S227 PolarHBondContact O-N 3.28Å; S223-S227 PolarHBondContact O-OG 3.4Å
224S57.8Low73.3Confident94 Ų9453.8 Ų53.866%0.65730%0.302SS*.THydrogen-bonded Turntrans-61.2-27.3177.358.40000112.8S227S224-S227 VanDerWaalsContact C-OG 3.25Å; S224-S227 WeakPolarHBondContact CA-OG 3.3Å; S224-S227 PolarHBondContact O-OG 2.86Å
225A55.9Low73.8Confident48 Ų4849.5 Ų49.540%0.39728%0.283SS..THydrogen-bonded Turntrans-75-40.8179.700000112.8S223 S227 D228S223-A225 PolarHBondContact O-N 3.01Å; A225-S227 PolarHBondContact O-N 3.43Å; A225-D228 PolarHBondContact O-N 3.44Å
226E64.2Low74.5Confident35 Ų3550.2 Ų50.216%0.16429%0.285CS..G310 helixtrans-61.1-36.1175.1-75.9159.6152.100111.2L94 L218 K221 S223 D228L94-E226 HydrophobicContact CD2-CB 4.25Å; L94-E226 HydrophobicContact CD2-CG 3.4Å; L94-E226 VanDerWaalsContact CD2-CG 3.4Å; L218-E226 WeakPolarHBondContact CD1-O 3.39Å; L218-E226 HydrophobicContact CD2-CG 4.4Å; K221-E226 WeakPolarHBondContact CB-OE1 3.48Å; K221-E226 VanDerWaalsContact CB-OE2 3.31Å; K221-E226 WeakPolarHBondContact CB-OE2 3.17Å; S223-E226 VanDerWaalsContact CB-OE2 3.29Å; S223-E226 WeakPolarHBondContact CB-OE2 3.35Å; S223-E226 PolarHBondContact N-OE2 2.96Å; S223-E226 VanDerWaalsContact N-OE2 3.09Å; S223-E226 PolarHBondContact O-N 2.9Å; S223-E226 WeakPolarHBondContact OG-CB 3.48Å; S223-E226 WeakPolarHBondContact OG-CG 3.33Å; S223-E226 PolarHBondContact OG-N 2.78Å; S223-E226 PolarHBondContact OG-OE2 3.47Å; E226-D228 VanDerWaalsContact C-N 3.27Å; E226-D228 PolarHBondContact O-N 3.43Å
227S64.4Low75.9Confident29 Ų2943 Ų4320%0.20326%0.256CS..G310 helixtrans-72.1-17.5-179.750.10000116.7R126 S223 S224 A225R126-S227 WeakPolarHBondContact CB-O 3.24Å; R126-S227 PolarHBondContact NH1-OG 2.58Å; S223-S227 PolarHBondContact O-N 3.28Å; S223-S227 PolarHBondContact O-OG 3.4Å; S224-S227 VanDerWaalsContact C-OG 3.25Å; S224-S227 WeakPolarHBondContact CA-OG 3.3Å; S224-S227 PolarHBondContact O-OG 2.86Å; A225-S227 PolarHBondContact O-N 3.43Å
228D78.9Confident77.5Confident20 Ų2042.6 Ų42.611%0.10725%0.253CS..G310 helixtrans-103.42.4-174.9-73.2-27.4000112.2T118 S124 A125 A225 E226T118-D228 VanDerWaalsContact CG2-OD2 3.24Å; T118-D228 WeakPolarHBondContact CG2-OD2 3.46Å; S124-D228 VanDerWaalsContact CB-OD1 3.28Å; S124-D228 WeakPolarHBondContact CB-OD1 3.28Å; S124-D228 PolarHBondContact OG-OD1 3.3Å; A125-D228 PolarHBondContact N-O 3.09Å; A125-D228 VanDerWaalsContact N-O 3.15Å; A225-D228 PolarHBondContact O-N 3.44Å; E226-D228 VanDerWaalsContact C-N 3.27Å; E226-D228 PolarHBondContact O-N 3.43Å
229A92.9Very high79Confident8 Ų844.6 Ų44.67%0.06626%0.264CS..  trans-76159.1-177.800000113.4L94 C97 V99 A125L94-A229 HydrophobicContact CD1-CB 3.58Å; C97-A229 HydrophobicContact CB-CB 3.96Å; V99-A229 HydrophobicContact CG1-CB 4.1Å; A125-A229 WeakPolarHBondContact CB-O 3.42Å
230W96.1Very high80.8Confident0 Ų044.1 Ų44.10%026%0.255CS..EExtended strand (participates in β ladder)trans-110.2133.7-179.1-63.575.9000109.7C97 A98 L100 L123 A125 I128 F174 L210C97-W230 CarbonylContact C-O 3.59Å; C97-W230 WeakPolarHBondContact CA-O 3.32Å; C97-W230 WeakPolarHBondContact CB-O 3.46Å; A98-W230 PolarHBondContact N-O 3.34Å; A98-W230 PolarHBondContact O-N 3.06Å; L100-W230 HydrophobicContact CD1-CD2 4.39Å; L100-W230 HydrophobicContact CD1-CZ2 4.44Å; L123-W230 HydrophobicContact CD2-CZ2 4.03Å; L123-W230 HydrophobicContact CG-CZ2 4.17Å; L123-W230 PolarHBondContact O-NE1 3.29Å; A125-W230 HydrophobicContact CB-CD2 3.77Å; A125-W230 HydrophobicContact CB-CE3 4.28Å; A125-W230 HydrophobicContact CB-CG 4.01Å; A125-W230 HydrophobicContact CB-CZ2 4.06Å; I128-W230 HydrophobicContact CD1-CH2 3.84Å; I128-W230 HydrophobicContact CD1-CZ2 3.87Å; F174-W230 HydrophobicContact CD2-CE3 4.19Å; F174-W230 AromaticContact CD2-CH2 3.64Å; F174-W230 HydrophobicContact CD2-CH2 3.64Å; F174-W230 HydrophobicContact CD2-CZ2 4.04Å; F174-W230 AromaticContact CD2-CZ3 3.71Å; F174-W230 HydrophobicContact CD2-CZ3 3.71Å; F174-W230 AromaticContact CE2-CH2 3.3Å; F174-W230 HydrophobicContact CE2-CH2 3.3Å; F174-W230 AromaticContact CE2-CZ2 3.58Å; F174-W230 HydrophobicContact CE2-CZ2 3.58Å; F174-W230 AromaticContact CE2-CZ3 3.88Å; F174-W230 HydrophobicContact CE2-CZ3 3.88Å; F174-W230 HydrophobicContact CZ-CH2 4.4Å; L210-W230 HydrophobicContact CB-CB 3.84Å; L210-W230 HydrophobicContact CB-CD2 4.38Å; L210-W230 HydrophobicContact CB-CE3 4.14Å; L210-W230 HydrophobicContact CB-CG 4.3Å; L210-W230 HydrophobicContact CD2-CB 3.94Å; L210-W230 HydrophobicContact CG-CB 4.35Å
231V96.6Very high83Confident16 Ų1640.5 Ų40.510%0.09722%0.217CC..EExtended strand (participates in β ladder)trans-76.4131.5-179.91790000110L210 L211 K213 C215L210-V231 CarbonylContact C-O 3.6Å; L210-V231 WeakPolarHBondContact CA-O 3.36Å; L211-V231 HydrophobicContact CB-CB 4.25Å; L211-V231 PolarHBondContact N-O 2.81Å; L211-V231 PolarHBondContact O-N 3.49Å; K213-V231 HydrophobicContact CG-CB 4.14Å; K213-V231 HydrophobicContact CG-CG2 3.86Å; K213-V231 WeakPolarHBondContact O-CG2 3.29Å; C215-V231 HydrophobicContact CB-CG2 3.85Å
232L97.6Very high85.3Confident8 Ų834.3 Ų34.34%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-75.9134.6174.7-68.1165.9000110.5F88 G96 A98 P181 F208 L210 F234 L321F88-L232 HydrophobicContact CE2-CD2 4.09Å; F88-L232 HydrophobicContact CZ-CD2 4.33Å; G96-L232 PolarHBondContact O-N 2.83Å; A98-L232 HydrophobicContact CB-CD2 4.24Å; A98-L232 HydrophobicContact CB-CG 4.45Å; P181-L232 HydrophobicContact CB-CD1 4.37Å; P181-L232 HydrophobicContact CB-CD2 4.41Å; P181-L232 HydrophobicContact CG-CD2 4.01Å; F208-L232 HydrophobicContact CD2-CD2 3.54Å; F208-L232 HydrophobicContact CE2-CD2 3.57Å; L210-L232 HydrophobicContact CD2-CD2 3.7Å; L232-F234 HydrophobicContact CB-CE2 4.06Å; L232-F234 HydrophobicContact CB-CZ 4.44Å; L232-L321 HydrophobicContact CB-CD1 4.09Å; L232-L321 HydrophobicContact CD1-CD1 4.18Å; L232-L321 HydrophobicContact CD1-CD2 4.19Å
233Q98.3Very high87.7Confident17 Ų1727.3 Ų27.38%0.07916%0.159CC..EExtended strand (participates in β ladder)trans-137.9142.3173.2-173.3-153.545.100110E67 F208 N209 L211 A235E67-Q233 PolarHBondContact OE1-NE2 2.84Å; E67-Q233 VanDerWaalsContact OE1-NE2 3.11Å; E67-Q233 PolarHBondContact OE2-NE2 3.01Å; E67-Q233 VanDerWaalsContact OE2-NE2 3.16Å; F208-Q233 WeakPolarHBondContact CA-O 3.14Å; F208-Q233 WeakPolarHBondContact CB-O 3.21Å; N209-Q233 HydrophobicContact CB-CB 4.35Å; N209-Q233 PolarHBondContact N-O 3.46Å; N209-Q233 PolarHBondContact ND2-OE1 3.04Å; N209-Q233 VanDerWaalsContact ND2-OE1 3.08Å; N209-Q233 PolarHBondContact O-N 3.04Å; L211-Q233 HydrophobicContact CD1-CB 3.49Å; L211-Q233 VanDerWaalsContact CD1-CB 3.49Å; L211-Q233 HydrophobicContact CD1-CG 4.34Å; L211-Q233 HydrophobicContact CD2-CB 4.16Å; L211-Q233 HydrophobicContact CD2-CG 4.39Å; L211-Q233 HydrophobicContact CG-CB 4.48Å; Q233-A235 HydrophobicContact CG-CB 4.29Å
234F98.4Very high89.5Confident0 Ų026.6 Ų26.60%016%0.16CC..  trans-121.733.7-173.9-61.7-89000112.4W180 P181 A184 F208 L232 E236 A237 E238 H318 F320 L321W180-F234 AromaticContact CH2-CD1 3.4Å; W180-F234 HydrophobicContact CH2-CD1 3.4Å; W180-F234 AromaticContact CH2-CE1 3.59Å; W180-F234 HydrophobicContact CH2-CE1 3.59Å; W180-F234 AromaticContact CZ2-CD1 3.95Å; W180-F234 HydrophobicContact CZ2-CD1 3.95Å; W180-F234 AromaticContact CZ2-CE1 3.74Å; W180-F234 HydrophobicContact CZ2-CE1 3.74Å; W180-F234 AromaticContact CZ3-CD1 3.91Å; W180-F234 HydrophobicContact CZ3-CD1 3.91Å; W180-F234 HydrophobicContact CZ3-CE1 4.03Å; P181-F234 HydrophobicContact CB-CZ 4.48Å; P181-F234 HydrophobicContact CG-CE1 3.86Å; P181-F234 HydrophobicContact CG-CZ 3.84Å; A184-F234 HydrophobicContact CB-CE1 4.36Å; A184-F234 HydrophobicContact CB-CZ 4.03Å; F208-F234 HydrophobicContact CB-CD1 3.73Å; F208-F234 HydrophobicContact CB-CE1 3.73Å; F208-F234 HydrophobicContact CB-CZ 4.5Å; F208-F234 HydrophobicContact CG-CE1 4.41Å; L232-F234 HydrophobicContact CB-CE2 4.06Å; L232-F234 HydrophobicContact CB-CZ 4.44Å; F234-E236 PolarHBondContact O-N 2.92Å; F234-A237 HydrophobicContact CB-CB 4.24Å; F234-A237 PolarHBondContact O-N 3.43Å; F234-E238 HydrophobicContact CB-CG 4.07Å; F234-E238 WeakPolarHBondContact O-CB 3.48Å; F234-E238 WeakPolarHBondContact O-CG 3.41Å; F234-E238 PolarHBondContact O-N 2.96Å; F234-H318 AromaticContact CD2-CE1 3.86Å; F234-F320 HydrophobicContact CB-CD2 3.64Å; F234-F320 HydrophobicContact CB-CE2 3.75Å; F234-F320 HydrophobicContact CD1-CD2 4Å; F234-F320 HydrophobicContact CD1-CE2 4.41Å; F234-F320 HydrophobicContact CD2-CB 4.27Å; F234-F320 AromaticContact CD2-CD2 3.91Å; F234-F320 HydrophobicContact CD2-CD2 3.91Å; F234-F320 HydrophobicContact CE2-CB 4.13Å; F234-F320 AromaticContact CG-CD2 3.58Å; F234-F320 HydrophobicContact CG-CD2 3.58Å; F234-F320 HydrophobicContact CG-CE2 4.11Å; F234-F320 HydrophobicContact CG-CG 4.37Å; F234-F320 HydrophobicContact CZ-CB 4.29Å; F234-L321 HydrophobicContact CE2-CD1 3.75Å; F234-L321 HydrophobicContact CE2-CD2 4.46Å; F234-L321 HydrophobicContact CE2-CG 3.96Å; F234-L321 HydrophobicContact CZ-CG 4.46Å
235A97.1Very high91.4Very high6 Ų624.5 Ų24.55%0.0515%0.153CC..Hα-helixtrans-54.3-48.6-166.500000113.2E67 Q233 N239 K275E67-A235 VanDerWaalsContact OE1-CB 3.24Å; E67-A235 WeakPolarHBondContact OE1-CB 3.24Å; Q233-A235 HydrophobicContact CG-CB 4.29Å; A235-N239 WeakPolarHBondContact O-CB 3.47Å; A235-N239 PolarHBondContact O-N 3.46Å; A235-N239 VanDerWaalsContact O-N 3.08Å; A235-N239 PolarHBondContact O-ND2 2.66Å; A235-K275 PolarHBondContact O-NZ 3.47Å
236E96.8Very high93.5Very high35 Ų3522.2 Ų22.216%0.16413%0.134CC..Hα-helixtrans-67.1-49.4178.2-66.975.9-168.400111.8Y79 E206 N209 F234 E238 N239 R240Y79-E236 PolarHBondContact OH-OE1 3.45Å; E206-E236 HydrophobicContact CB-CB 4.07Å; N209-E236 PolarHBondContact ND2-OE2 3.22Å; F234-E236 PolarHBondContact O-N 2.92Å; E236-E238 VanDerWaalsContact C-N 3.35Å; E236-E238 PolarHBondContact O-N 3.31Å; E236-N239 WeakPolarHBondContact O-CB 3.3Å; E236-N239 PolarHBondContact O-N 3.07Å; E236-R240 PolarHBondContact O-N 3.41Å
237A98.5Very high95.1Very high0 Ų020.6 Ų20.60%013%0.126CC..Hα-helixtrans-56.8-44.8177.200000112.1W180 V203 E206 F234 N239 R240 L241 F320W180-A237 HydrophobicContact CH2-CB 4.07Å; W180-A237 HydrophobicContact CZ3-CB 4.23Å; V203-A237 HydrophobicContact CG1-CB 3.9Å; V203-A237 WeakPolarHBondContact O-CB 3.35Å; E206-A237 HydrophobicContact CB-CB 4.26Å; F234-A237 HydrophobicContact CB-CB 4.24Å; F234-A237 PolarHBondContact O-N 3.43Å; A237-N239 PolarHBondContact O-N 2.88Å; A237-R240 WeakPolarHBondContact O-CB 3.37Å; A237-R240 PolarHBondContact O-N 3.3Å; A237-L241 VanDerWaalsContact O-CB 3.32Å; A237-L241 WeakPolarHBondContact O-CB 3.44Å; A237-L241 PolarHBondContact O-N 2.9Å; A237-F320 HydrophobicContact CB-CE2 4.49Å
238E98.7Very high96.7Very high3 Ų323.2 Ų23.21%0.01413%0.134CC..Hα-helixtrans-66.2-37.1175-66.4170.5161.800112.3F234 E236 R240 L241 L242 Y272 K275 F320F234-E238 HydrophobicContact CB-CG 4.07Å; F234-E238 WeakPolarHBondContact O-CB 3.48Å; F234-E238 WeakPolarHBondContact O-CG 3.41Å; F234-E238 PolarHBondContact O-N 2.96Å; E236-E238 VanDerWaalsContact C-N 3.35Å; E236-E238 PolarHBondContact O-N 3.31Å; E238-R240 VanDerWaalsContact C-N 3.31Å; E238-R240 PolarHBondContact O-N 2.87Å; E238-L241 PolarHBondContact O-N 3.01Å; E238-L242 WeakPolarHBondContact O-CG 3.46Å; E238-L242 PolarHBondContact O-N 2.96Å; E238-Y272 WeakPolarHBondContact OE1-CE2 3.41Å; E238-Y272 PolarHBondContact OE1-OH 3.3Å; E238-Y272 WeakPolarHBondContact OE2-CE2 3.46Å; E238-K275 HydrophobicContact CB-CD 4.45Å; E238-K275 WeakPolarHBondContact OE2-CD 3.25Å; E238-K275 VanDerWaalsContact OE2-CE 3.24Å; E238-K275 WeakPolarHBondContact OE2-CE 3.32Å; E238-K275 IonicContact OE2-NZ 3.65Å; E238-K275 PolarHBondContact OE2-NZ 3.41Å; E238-F320 HydrophobicContact CG-CD2 4.26Å; E238-F320 HydrophobicContact CG-CE2 3.62Å
239N97.6Very high97.7Very high66 Ų6624 Ų2435%0.35314%0.136SC..Hα-helixtrans-67.6-33.7178-75.4-27.6000112.3A235 E236 A237 K248 K275A235-N239 WeakPolarHBondContact O-CB 3.47Å; A235-N239 PolarHBondContact O-N 3.46Å; A235-N239 VanDerWaalsContact O-N 3.08Å; A235-N239 PolarHBondContact O-ND2 2.66Å; E236-N239 WeakPolarHBondContact O-CB 3.3Å; E236-N239 PolarHBondContact O-N 3.07Å; A237-N239 PolarHBondContact O-N 2.88Å; N239-K248 PolarHBondContact O-NZ 2.97Å; N239-K275 WeakPolarHBondContact OD1-CE 3.44Å; N239-K275 PolarHBondContact OD1-NZ 2.79Å
240R98.4Very high97.9Very high87 Ų8723.6 Ų23.633%0.32813%0.133SC..Hα-helixtrans-69.3-44.7171.7-179.663.160-169.20.1111.1E202 V203 E206 E236 A237 E238 L242 L243E202-R240 HydrophobicContact CB-CG 4.01Å; E202-R240 WeakPolarHBondContact OE2-CD 3.5Å; V203-R240 HydrophobicContact CG2-CB 4.15Å; V203-R240 HydrophobicContact CG2-CG 3.83Å; E206-R240 HydrophobicContact CG-CB 3.9Å; E206-R240 HydrophobicContact CG-CG 4.16Å; E206-R240 IonicContact OE1-CZ 2.89Å; E206-R240 IonicContact OE1-NE 3.14Å; E206-R240 PolarHBondContact OE1-NE 3.46Å; E206-R240 IonicContact OE1-NH2 3.09Å; E206-R240 PolarHBondContact OE1-NH2 2.57Å; E236-R240 PolarHBondContact O-N 3.41Å; A237-R240 WeakPolarHBondContact O-CB 3.37Å; A237-R240 PolarHBondContact O-N 3.3Å; E238-R240 VanDerWaalsContact C-N 3.31Å; E238-R240 PolarHBondContact O-N 2.87Å; R240-L242 VanDerWaalsContact C-N 3.31Å; R240-L242 PolarHBondContact O-N 2.92Å; R240-L243 WeakPolarHBondContact O-CB 3.47Å; R240-L243 WeakPolarHBondContact O-CG 3.41Å; R240-L243 PolarHBondContact O-N 3Å
241L98.8Very high98.1Very high1 Ų124.3 Ų24.31%0.00514%0.137CC..Hα-helixtrans-59.2-41.2179.7-179.563.5000112.1W187 W194 P195 V203 A237 E238 L243 Y319 F320W187-L241 HydrophobicContact CH2-CD1 4.34Å; W187-L241 HydrophobicContact CZ2-CD1 3.82Å; W187-L241 HydrophobicContact CZ2-CD2 4.44Å; W194-L241 HydrophobicContact CH2-CD1 3.35Å; W194-L241 HydrophobicContact CH2-CD2 3.99Å; W194-L241 HydrophobicContact CH2-CG 3.48Å; W194-L241 VanDerWaalsContact CH2-CG 3.48Å; W194-L241 HydrophobicContact CZ2-CD1 3.87Å; W194-L241 HydrophobicContact CZ2-CG 4.2Å; W194-L241 HydrophobicContact CZ3-CD1 3.75Å; W194-L241 HydrophobicContact CZ3-CD2 4.26Å; W194-L241 HydrophobicContact CZ3-CG 4.13Å; P195-L241 HydrophobicContact CB-CD1 4.15Å; P195-L241 HydrophobicContact CG-CD1 3.64Å; V203-L241 HydrophobicContact CG2-CB 3.81Å; V203-L241 HydrophobicContact CG2-CD1 4.14Å; A237-L241 VanDerWaalsContact O-CB 3.32Å; A237-L241 WeakPolarHBondContact O-CB 3.44Å; A237-L241 PolarHBondContact O-N 2.9Å; E238-L241 PolarHBondContact O-N 3.01Å; L241-L243 VanDerWaalsContact C-N 3.25Å; L241-L243 PolarHBondContact O-N 2.8Å; L241-Y319 HydrophobicContact CD2-CD1 4.01Å; L241-Y319 HydrophobicContact CD2-CE1 3.35Å; L241-F320 HydrophobicContact CD2-CE1 4.5Å; L241-F320 HydrophobicContact CD2-CZ 4.02Å
242L98.5Very high98.2Very high2 Ų224.5 Ų24.51%0.0114%0.139CC..THydrogen-bonded Turntrans-85.420.3-176.4-63.2-177.3000114.5E238 R240 L251 K275 V278E238-L242 WeakPolarHBondContact O-CG 3.46Å; E238-L242 PolarHBondContact O-N 2.96Å; R240-L242 VanDerWaalsContact C-N 3.31Å; R240-L242 PolarHBondContact O-N 2.92Å; L242-L251 HydrophobicContact CD1-CD2 4.19Å; L242-K275 HydrophobicContact CD1-CG 3.86Å; L242-V278 HydrophobicContact CD1-CG1 4.32Å; L242-V278 HydrophobicContact CD2-CB 4.48Å; L242-V278 HydrophobicContact CD2-CG1 3.76Å
243L97.8Very high98.2Very high48 Ų4824.1 Ų24.125%0.25114%0.137SC..  trans-77.3153171.5-69.1175.4000111.7R240 L241 R247R240-L243 WeakPolarHBondContact O-CB 3.47Å; R240-L243 WeakPolarHBondContact O-CG 3.41Å; R240-L243 PolarHBondContact O-N 3Å; L241-L243 VanDerWaalsContact C-N 3.25Å; L241-L243 PolarHBondContact O-N 2.8Å; L243-R247 PolarHBondContact O-NH1 3.2Å
244G96.9Very high98.3Very high36 Ų3623.4 Ų23.437%0.37113%0.134SC..SBendtrans94.4148.8178.300000114.3R247G244-R247 WeakPolarHBondContact O-CG 3.4Å; G244-R247 PolarHBondContact O-NH1 2.91Å
245G97.9Very high98.3Very high49 Ų4925.6 Ų25.651%0.50514%0.143SC..THydrogen-bonded Turntrans52.2-149.5179.800000114.2R247 W291G245-R247 VanDerWaalsContact C-N 3.32Å; G245-R247 PolarHBondContact O-N 3.28Å; G245-W291 CarbonylContact C-O 3.33Å; G245-W291 VanDerWaalsContact CA-O 3.27Å; G245-W291 WeakPolarHBondContact CA-O 3.36Å
246C98.4Very high98.4Very high0 Ų025.4 Ų25.40%014%0.141CC..THydrogen-bonded Turntrans-86.910.4178.769.60000113.9K248 K249 C250 W291 L296C246-K248 PolarHBondContact O-N 3.3Å; C246-K249 HydrophobicContact CB-CB 4.37Å; C246-K249 CarbonylContact O-C 3.25Å; C246-K249 WeakPolarHBondContact O-CA 3.45Å; C246-K249 WeakPolarHBondContact O-CB 3.47Å; C246-K249 PolarHBondContact O-N 2.77Å; C246-C250 WeakPolarHBondContact O-CB 3.47Å; C246-C250 PolarHBondContact O-N 2.9Å; C246-W291 PolarHBondContact N-O 2.93Å; C246-W291 PolarHBondContact SG-O 3.15Å; C246-L296 HydrophobicContact CB-CB 4.48Å; C246-L296 HydrophobicContact CB-CD1 4.19Å
247R98.8Very high98.4Very high2 Ų223.8 Ų23.81%0.00813%0.134CC..Hα-helixtrans-51.1-54.3-176.2-68.4174.9-176.2111.82.8113.1L243 G244 G245 K249 C250 L251 C282 E288 W291L243-R247 PolarHBondContact O-NH1 3.2Å; G244-R247 WeakPolarHBondContact O-CG 3.4Å; G244-R247 PolarHBondContact O-NH1 2.91Å; G245-R247 VanDerWaalsContact C-N 3.32Å; G245-R247 PolarHBondContact O-N 3.28Å; R247-K249 VanDerWaalsContact C-N 3.34Å; R247-K249 PolarHBondContact O-N 3.01Å; R247-C250 PolarHBondContact O-N 3.16Å; R247-L251 PolarHBondContact O-N 3Å; R247-C282 PolarHBondContact NE-SG 3.28Å; R247-E288 IonicContact CZ-OE1 3.91Å; R247-E288 IonicContact CZ-OE2 2.67Å; R247-E288 IonicContact NH1-OE1 2.78Å; R247-E288 PolarHBondContact NH1-OE1 2.98Å; R247-E288 IonicContact NH1-OE2 3.8Å; R247-E288 PolarHBondContact NH1-OE2 3.06Å; R247-E288 IonicContact NH2-OE1 3.45Å; R247-E288 PolarHBondContact NH2-OE1 3.11Å; R247-E288 IonicContact NH2-OE2 2.76Å; R247-W291 HydrophobicContact CB-CE3 4.12Å; R247-W291 HydrophobicContact CB-CZ3 4.33Å; R247-W291 HydrophobicContact CG-CB 4.35Å; R247-W291 HydrophobicContact CG-CD2 3.47Å; R247-W291 VanDerWaalsContact CG-CD2 3.47Å; R247-W291 HydrophobicContact CG-CE3 3.3Å; R247-W291 HydrophobicContact CG-CG 3.94Å; R247-W291 HydrophobicContact CG-CH2 4.4Å; R247-W291 HydrophobicContact CG-CZ3 3.79Å
248K98.4Very high98.4Very high84 Ų8424 Ų2437%0.36514%0.135SC..Hα-helixtrans-68.7-29.8178.1-74.7-175.3177.3177.70113.2N239 C246 S252N239-K248 PolarHBondContact O-NZ 2.97Å; C246-K248 PolarHBondContact O-N 3.3Å; K248-S252 WeakPolarHBondContact O-CB 3.49Å; K248-S252 PolarHBondContact O-N 3.24Å; K248-S252 PolarHBondContact O-OG 2.95Å
249K98.7Very high98.4Very high36 Ų3625.1 Ų25.116%0.15714%0.141CC..Hα-helixtrans-66.9-48.7174.4-174.6-176.2-71.3179.40109.9N13 Y16 C246 R247 L251 S252 V253 E293 L296N13-K249 PolarHBondContact OD1-NZ 3.16Å; Y16-K249 HydrophobicContact CD1-CD 4.32Å; Y16-K249 HydrophobicContact CD1-CG 4.12Å; Y16-K249 HydrophobicContact CD2-CG 3.57Å; Y16-K249 HydrophobicContact CE1-CG 4.24Å; Y16-K249 HydrophobicContact CE2-CB 4.27Å; Y16-K249 HydrophobicContact CE2-CG 3.72Å; Y16-K249 HydrophobicContact CG-CD 4.29Å; Y16-K249 HydrophobicContact CG-CG 3.78Å; C246-K249 HydrophobicContact CB-CB 4.37Å; C246-K249 CarbonylContact O-C 3.25Å; C246-K249 WeakPolarHBondContact O-CA 3.45Å; C246-K249 WeakPolarHBondContact O-CB 3.47Å; C246-K249 PolarHBondContact O-N 2.77Å; R247-K249 VanDerWaalsContact C-N 3.34Å; R247-K249 PolarHBondContact O-N 3.01Å; K249-L251 PolarHBondContact O-N 3.48Å; K249-S252 WeakPolarHBondContact O-CB 3.3Å; K249-S252 PolarHBondContact O-N 2.87Å; K249-S252 VanDerWaalsContact O-N 3.09Å; K249-V253 PolarHBondContact O-N 2.85Å; K249-E293 IonicContact NZ-OE1 3.91Å; K249-E293 PolarHBondContact NZ-OE1 3.36Å; K249-E293 IonicContact NZ-OE2 2.61Å; K249-E293 PolarHBondContact NZ-OE2 3.06Å; K249-L296 HydrophobicContact CD-CD2 3.77Å; K249-L296 HydrophobicContact CG-CD2 4.39Å
250C98.8Very high98.4Very high0 Ų028.3 Ų28.30%015%0.148CC..Hα-helixtrans-57.3-49.1174.9-168.80000111.5C246 R247 S252 V253 L254 L296C246-C250 WeakPolarHBondContact O-CB 3.47Å; C246-C250 PolarHBondContact O-N 2.9Å; R247-C250 PolarHBondContact O-N 3.16Å; C250-S252 VanDerWaalsContact C-N 3.28Å; C250-S252 PolarHBondContact O-N 2.82Å; C250-V253 PolarHBondContact O-N 3.43Å; C250-V253 VanDerWaalsContact O-N 3.11Å; C250-L254 WeakPolarHBondContact O-CG 3.39Å; C250-L254 PolarHBondContact O-N 3.5Å; C250-L296 HydrophobicContact CB-CD1 3.85Å
251L98.9Very high98.3Very high14 Ų1426.8 Ų26.87%0.07315%0.145CC..Hα-helixtrans-57.4-40.2174.3-178.157.2000112.3L242 R247 K249 V253 L254 K255 M274 K275 V278L242-L251 HydrophobicContact CD1-CD2 4.19Å; R247-L251 PolarHBondContact O-N 3Å; K249-L251 PolarHBondContact O-N 3.48Å; L251-V253 VanDerWaalsContact C-N 3.35Å; L251-V253 PolarHBondContact O-N 3.48Å; L251-L254 PolarHBondContact O-N 3.03Å; L251-K255 HydrophobicContact CD1-CD 4.46Å; L251-K255 HydrophobicContact CD1-CG 4.21Å; L251-K255 HydrophobicContact CG-CD 4.4Å; L251-K255 VanDerWaalsContact O-CG 3.29Å; L251-K255 WeakPolarHBondContact O-CG 3.42Å; L251-K255 PolarHBondContact O-N 2.99Å; L251-M274 HydrophobicContact CD1-CB 3.91Å; L251-K275 HydrophobicContact CD1-CB 4.18Å; L251-K275 HydrophobicContact CD2-CB 4.35Å; L251-K275 HydrophobicContact CD2-CG 4.01Å; L251-V278 HydrophobicContact CB-CG2 4.17Å; L251-V278 HydrophobicContact CD1-CG2 4.15Å
252S98.7Very high98.3Very high21 Ų2126.9 Ų26.915%0.14715%0.145CC..Hα-helixtrans-64-40.2177.6-59.60000112.2K248 K249 C250 A256K248-S252 WeakPolarHBondContact O-CB 3.49Å; K248-S252 PolarHBondContact O-N 3.24Å; K248-S252 PolarHBondContact O-OG 2.95Å; K249-S252 WeakPolarHBondContact O-CB 3.3Å; K249-S252 PolarHBondContact O-N 2.87Å; K249-S252 VanDerWaalsContact O-N 3.09Å; C250-S252 VanDerWaalsContact C-N 3.28Å; C250-S252 PolarHBondContact O-N 2.82Å; S252-A256 WeakPolarHBondContact O-CB 3.47Å; S252-A256 PolarHBondContact O-N 3.38Å
253V98.8Very high98.2Very high0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-63.4-47.6175174.30000110.6L12 Y15 Y16 K249 C250 L251 K255 A256 L257 L300L12-V253 HydrophobicContact CD2-CG1 4.13Å; Y15-V253 HydrophobicContact CD1-CG1 4.04Å; Y15-V253 HydrophobicContact CD1-CG2 4.39Å; Y15-V253 HydrophobicContact CE1-CG1 4.16Å; Y16-V253 HydrophobicContact CD2-CG2 4.3Å; K249-V253 PolarHBondContact O-N 2.85Å; C250-V253 PolarHBondContact O-N 3.43Å; C250-V253 VanDerWaalsContact O-N 3.11Å; L251-V253 VanDerWaalsContact C-N 3.35Å; L251-V253 PolarHBondContact O-N 3.48Å; V253-K255 PolarHBondContact O-N 2.76Å; V253-A256 PolarHBondContact O-N 2.95Å; V253-A256 VanDerWaalsContact O-N 3.17Å; V253-L257 HydrophobicContact CG1-CD1 3.88Å; V253-L257 HydrophobicContact CG1-CG 4.28Å; V253-L257 WeakPolarHBondContact O-CG 3.34Å; V253-L257 PolarHBondContact O-N 3.49Å; V253-L300 HydrophobicContact CB-CD1 4.36Å; V253-L300 HydrophobicContact CG1-CD1 3.91Å; V253-L300 HydrophobicContact CG1-CD2 3.94Å
254L98.9Very high98.1Very high1 Ų129.5 Ų29.51%0.00516%0.157CC..Hα-helixtrans-58-45.5177.8-71.8163.5000112.4C250 L251 A256 L257 R258 M274 V278 L300 I303 L304C250-L254 WeakPolarHBondContact O-CG 3.39Å; C250-L254 PolarHBondContact O-N 3.5Å; L251-L254 PolarHBondContact O-N 3.03Å; L254-A256 PolarHBondContact O-N 3.31Å; L254-L257 PolarHBondContact O-N 3.41Å; L254-R258 WeakPolarHBondContact O-CB 3.48Å; L254-R258 PolarHBondContact O-N 3.11Å; L254-M274 HydrophobicContact CB-CB 4Å; L254-M274 HydrophobicContact CB-CG 4.09Å; L254-M274 HydrophobicContact CB-SD 4.24Å; L254-M274 HydrophobicContact CD2-SD 4.35Å; L254-V278 HydrophobicContact CD1-CG2 3.74Å; L254-L300 HydrophobicContact CD2-CD1 3.58Å; L254-L300 HydrophobicContact CG-CD1 3.66Å; L254-I303 HydrophobicContact CD1-CB 4.29Å; L254-I303 HydrophobicContact CD1-CD1 4Å; L254-I303 HydrophobicContact CD1-CG2 3.57Å; L254-I303 HydrophobicContact CD2-CG2 3.95Å; L254-I303 HydrophobicContact CG-CG2 4.43Å; L254-L304 HydrophobicContact CD2-CD2 3.83Å; L254-L304 HydrophobicContact CD2-CG 4.21Å
255K98.7Very high98Very high47 Ų4732.9 Ų32.920%0.20417%0.172CC..Hα-helixtrans-62.7-41.7176.4-67.1-173.4177.7-169.80111.8L251 V253 R258 D259 N271L251-K255 HydrophobicContact CD1-CD 4.46Å; L251-K255 HydrophobicContact CD1-CG 4.21Å; L251-K255 HydrophobicContact CG-CD 4.4Å; L251-K255 VanDerWaalsContact O-CG 3.29Å; L251-K255 WeakPolarHBondContact O-CG 3.42Å; L251-K255 PolarHBondContact O-N 2.99Å; V253-K255 PolarHBondContact O-N 2.76Å; K255-R258 PolarHBondContact O-N 3.02Å; K255-D259 PolarHBondContact O-N 3.34Å; K255-N271 WeakPolarHBondContact CB-OD1 3.24Å; K255-N271 HydrophobicContact CD-CB 4.16Å; K255-N271 HydrophobicContact CG-CB 4.2Å; K255-N271 VanDerWaalsContact CG-OD1 3.24Å; K255-N271 WeakPolarHBondContact CG-OD1 3.48Å
256A98.6Very high97.7Very high1 Ų132.9 Ų32.91%0.00817%0.172CC..Hα-helixtrans-66.6-41.5177.700000112.5Y15 C20 S252 V253 L254 R258 D259 R260Y15-A256 HydrophobicContact CE1-CB 3.92Å; C20-A256 VanDerWaalsContact SG-CB 3.57Å; S252-A256 WeakPolarHBondContact O-CB 3.47Å; S252-A256 PolarHBondContact O-N 3.38Å; V253-A256 PolarHBondContact O-N 2.95Å; V253-A256 VanDerWaalsContact O-N 3.17Å; L254-A256 PolarHBondContact O-N 3.31Å; A256-R258 VanDerWaalsContact C-N 3.34Å; A256-D259 PolarHBondContact O-N 2.96Å; A256-R260 VanDerWaalsContact O-CG 3.29Å; A256-R260 WeakPolarHBondContact O-CG 3.12Å; A256-R260 PolarHBondContact O-N 3.03Å
257L98.6Very high97.4Very high2 Ų237.6 Ų37.61%0.0119%0.194CC..Hα-helixtrans-63-41174-72.2172.6000111.5Y15 V253 L254 R260 H261 L345 I349 L356Y15-L257 HydrophobicContact CE1-CD2 4.29Å; Y15-L257 HydrophobicContact CE1-CG 4.28Å; Y15-L257 HydrophobicContact CE2-CD2 4.44Å; V253-L257 HydrophobicContact CG1-CD1 3.88Å; V253-L257 HydrophobicContact CG1-CG 4.28Å; V253-L257 WeakPolarHBondContact O-CG 3.34Å; V253-L257 PolarHBondContact O-N 3.49Å; L254-L257 PolarHBondContact O-N 3.41Å; L257-R260 PolarHBondContact O-N 3.03Å; L257-H261 WeakPolarHBondContact O-CB 3.4Å; L257-H261 PolarHBondContact O-CD2 3.16Å; L257-H261 PolarHBondContact O-N 3.36Å; L257-L345 HydrophobicContact CB-CD2 4.22Å; L257-L345 HydrophobicContact CD2-CD1 4.42Å; L257-L345 HydrophobicContact CD2-CD2 4.34Å; L257-I349 HydrophobicContact CD1-CD1 3.91Å; L257-I349 HydrophobicContact CD2-CD1 4.15Å; L257-L356 HydrophobicContact CD2-CD2 4.44Å
258R98.6Very high97.3Very high3 Ų337.6 Ų37.61%0.01119%0.194CC..Iπ-helixtrans-57.7-54.7175.7-172.5-149.364.3159.5-11.4111.3I69 L254 K255 A256 R260 H261 L262 E263 N270 N271 M274I69-R258 VanDerWaalsContact O-CZ 3.26Å; I69-R258 PolarHBondContact O-NH1 3.28Å; I69-R258 PolarHBondContact O-NH2 3.09Å; L254-R258 WeakPolarHBondContact O-CB 3.48Å; L254-R258 PolarHBondContact O-N 3.11Å; K255-R258 PolarHBondContact O-N 3.02Å; A256-R258 VanDerWaalsContact C-N 3.34Å; R258-R260 PolarHBondContact O-N 3.04Å; R258-R260 VanDerWaalsContact O-N 3.14Å; R258-H261 PolarHBondContact O-N 2.84Å; R258-L262 HydrophobicContact CG-CB 4.18Å; R258-L262 CarbonylContact O-C 3.55Å; R258-L262 WeakPolarHBondContact O-CA 3.38Å; R258-L262 PolarHBondContact O-N 3.39Å; R258-E263 PolarHBondContact O-N 3.01Å; R258-E263 VanDerWaalsContact O-N 3.13Å; R258-N270 VanDerWaalsContact NH1-CA 3.32Å; R258-N271 PolarHBondContact NE-OD1 3.19Å; R258-N271 PolarHBondContact NH2-ND2 3Å; R258-N271 PolarHBondContact NH2-OD1 3.34Å; R258-N271 VanDerWaalsContact NH2-OD1 3.16Å; R258-M274 HydrophobicContact CB-CE 3.92Å; R258-M274 HydrophobicContact CG-CE 4.01Å
259D97.4Very high97.3Very high28 Ų2833.7 Ų33.715%0.1518%0.177CC..Iπ-helixtrans-58.9-30.6-175.4-667000112.7R23 P71 K255 A256R23-D259 IonicContact CZ-OD2 2.66Å; R23-D259 IonicContact NE-OD2 3.05Å; R23-D259 PolarHBondContact NE-OD2 3.08Å; R23-D259 IonicContact NH2-OD1 2.73Å; R23-D259 IonicContact NH2-OD2 3.19Å; R23-D259 PolarHBondContact NH2-OD2 3.21Å; P71-D259 WeakPolarHBondContact CD-OD2 3.43Å; P71-D259 HydrophobicContact CG-CB 4.26Å; P71-D259 VanDerWaalsContact CG-OD2 3.31Å; P71-D259 WeakPolarHBondContact CG-OD2 3.48Å; K255-D259 PolarHBondContact O-N 3.34Å; A256-D259 PolarHBondContact O-N 2.96Å
260R97.4Very high97.3Very high132 Ų13234.2 Ų34.250%0.49818%0.182SC..Iπ-helixtrans-94.5-27.4-174-64.8175.767.5734.9113.5A256 L257 R258 L359A256-R260 VanDerWaalsContact O-CG 3.29Å; A256-R260 WeakPolarHBondContact O-CG 3.12Å; A256-R260 PolarHBondContact O-N 3.03Å; L257-R260 PolarHBondContact O-N 3.03Å; R258-R260 PolarHBondContact O-N 3.04Å; R258-R260 VanDerWaalsContact O-N 3.14Å; R260-L359 PolarHBondContact NE-O 3.24Å; R260-L359 PolarHBondContact NE-OXT 2.94Å; R260-L359 PolarHBondContact NH2-O 3.48Å; R260-L359 PolarHBondContact NH2-OXT 3.1Å
261H97.9Very high97.2Very high56 Ų5634.5 Ų34.526%0.25918%0.183SC..Iπ-helixtrans-134.6-17.4-168.1-51.2-61.2000115.1L257 R258 L345 L359L257-H261 WeakPolarHBondContact O-CB 3.4Å; L257-H261 PolarHBondContact O-CD2 3.16Å; L257-H261 PolarHBondContact O-N 3.36Å; R258-H261 PolarHBondContact O-N 2.84Å; H261-L345 HydrophobicContact CB-CD1 4.43Å; H261-L345 HydrophobicContact CB-CD2 3.99Å; H261-L359 PolarHBondContact CE1-OXT 2.92Å; H261-L359 WeakPolarHBondContact NE2-CB 3.38Å; H261-L359 PolarHBondContact NE2-OXT 3.33Å
262L97.9Very high97.2Very high2 Ų236.7 Ų36.71%0.0119%0.191CC..Iπ-helixtrans-123.914.9-174.2-49.9174.3000113.1R258 L264 L269 M274 Q341 L345R258-L262 HydrophobicContact CG-CB 4.18Å; R258-L262 CarbonylContact O-C 3.55Å; R258-L262 WeakPolarHBondContact O-CA 3.38Å; R258-L262 PolarHBondContact O-N 3.39Å; L262-L264 PolarHBondContact O-N 2.84Å; L262-L269 HydrophobicContact CB-CD1 4.03Å; L262-L269 HydrophobicContact CD1-CD1 4.06Å; L262-M274 HydrophobicContact CD1-CE 4.15Å; L262-Q341 HydrophobicContact CD2-CB 4.02Å; L262-L345 HydrophobicContact CD1-CD2 4.36Å; L262-L345 HydrophobicContact CD2-CD2 4.4Å; L262-L345 HydrophobicContact CG-CD2 4.32Å
263E95.5Very high97.2Very high81 Ų8135.7 Ų35.738%0.37918%0.184SC..  trans-76.394.5162.6-16363.3-126.100107.9R258R258-E263 PolarHBondContact O-N 3.01Å; R258-E263 VanDerWaalsContact O-N 3.13Å
264L96.5Very high97.2Very high25 Ų2535.8 Ų35.813%0.13118%0.184CC..  trans-116.8155.3-167.9-61.7173.8000111.8L262 G266 Q267 P268 A338 Q341L262-L264 PolarHBondContact O-N 2.84Å; L264-G266 PolarHBondContact O-N 3.37Å; L264-Q267 WeakPolarHBondContact O-CA 3.28Å; L264-Q267 PolarHBondContact O-N 2.78Å; L264-P268 HydrophobicContact CB-CG 4.01Å; L264-P268 HydrophobicContact CD1-CG 4.35Å; L264-A338 HydrophobicContact CD1-CB 3.78Å; L264-Q341 HydrophobicContact CD1-CB 4.21Å; L264-Q341 HydrophobicContact CD1-CG 4.1Å; L264-Q341 HydrophobicContact CD2-CG 4.06Å
265P94.9Very high97.2Very high107 Ų10736.3 Ų36.370%0.69519%0.187SC*.THydrogen-bonded Turntrans-52.4134.9173.3-26.435000112.2Q267P265-Q267 VanDerWaalsContact C-N 3.29Å
266G90.5Very high97.2Very high48 Ų4834.1 Ų34.150%0.49518%0.177SC..THydrogen-bonded Turntrans81.72.6-174.500000114.7L264 P268L264-G266 PolarHBondContact O-N 3.37Å; G266-P268 VanDerWaalsContact C-CD 3.49Å
267Q93.9Very high97.2Very high100 Ų10034.2 Ų34.247%0.46718%0.178SC..  trans43.754.8178.1-63.4173.9-23.600112.5L264 P265 L269 K330L264-Q267 WeakPolarHBondContact O-CA 3.28Å; L264-Q267 PolarHBondContact O-N 2.78Å; P265-Q267 VanDerWaalsContact C-N 3.29Å; Q267-L269 PolarHBondContact O-N 2.9Å; Q267-K330 WeakPolarHBondContact O-CE 3.45Å; Q267-K330 PolarHBondContact O-NZ 3.3Å
268P96.7Very high97.2Very high1 Ų134.1 Ų34.11%0.00618%0.177CC..  trans-68.5-23-17728.7-35.1000112.1L264 G266 H273 A334 L335 A338L264-P268 HydrophobicContact CB-CG 4.01Å; L264-P268 HydrophobicContact CD1-CG 4.35Å; G266-P268 VanDerWaalsContact C-CD 3.49Å; P268-H273 PolarHBondContact O-CE1 2.91Å; P268-H273 VanDerWaalsContact O-CE1 3.24Å; P268-A334 HydrophobicContact CB-CB 4.12Å; P268-A334 HydrophobicContact CG-CB 4.34Å; P268-L335 HydrophobicContact CB-CD2 4.01Å; P268-A338 HydrophobicContact CB-CB 4.06Å; P268-A338 HydrophobicContact CG-CB 3.74Å
269L98.1Very high97.3Very high3 Ų334 Ų342%0.01618%0.177CC..  trans-124.3136.8-176.5-65.8177.6000112.2L262 Q267 H273 L307 L311 F327 A338L262-L269 HydrophobicContact CB-CD1 4.03Å; L262-L269 HydrophobicContact CD1-CD1 4.06Å; Q267-L269 PolarHBondContact O-N 2.9Å; L269-H273 WeakPolarHBondContact CA-ND1 3.47Å; L269-L307 HydrophobicContact CD1-CD2 4.2Å; L269-L307 HydrophobicContact CD2-CD1 3.73Å; L269-L307 HydrophobicContact CD2-CD2 4.46Å; L269-L311 HydrophobicContact CD1-CD1 4.28Å; L269-L311 HydrophobicContact CD2-CD1 4.3Å; L269-L311 HydrophobicContact CD2-CD2 3.97Å; L269-L311 HydrophobicContact CD2-CG 4.46Å; L269-F327 HydrophobicContact CD2-CE1 4.08Å; L269-F327 HydrophobicContact CD2-CZ 4.2Å; L269-A338 HydrophobicContact CD1-CB 4.09Å; L269-A338 HydrophobicContact CG-CB 4.26Å
270N97.1Very high97.3Very high47 Ų4734.8 Ų34.825%0.25118%0.178SC..  trans-133.2172.2172.464.744.2000111.2R258 Y272 H273R258-N270 VanDerWaalsContact NH1-CA 3.32Å; N270-Y272 PolarHBondContact O-N 2.88Å; N270-Y272 WeakPolarHBondContact OD1-CA 3.39Å; N270-Y272 WeakPolarHBondContact OD1-CB 3.5Å; N270-Y272 PolarHBondContact OD1-N 2.97Å; N270-H273 PolarHBondContact N-ND1 2.83Å; N270-H273 PolarHBondContact ND2-CE1 3.31Å; N270-H273 PolarHBondContact ND2-NE2 3.43Å; N270-H273 PolarHBondContact O-N 3.26Å; N270-H273 PolarHBondContact OD1-N 3.36Å
271N98.1Very high97.4Very high6 Ų628.7 Ų28.73%0.03216%0.155CC..Hα-helixtrans-62.4-23179-81.9-19.8000113.7V68 I69 K255 R258 M274 K275V68-N271 PolarHBondContact O-ND2 2.99Å; I69-N271 PolarHBondContact O-ND2 2.79Å; I69-N271 VanDerWaalsContact O-ND2 3.13Å; K255-N271 WeakPolarHBondContact CB-OD1 3.24Å; K255-N271 HydrophobicContact CD-CB 4.16Å; K255-N271 HydrophobicContact CG-CB 4.2Å; K255-N271 VanDerWaalsContact CG-OD1 3.24Å; K255-N271 WeakPolarHBondContact CG-OD1 3.48Å; R258-N271 PolarHBondContact NE-OD1 3.19Å; R258-N271 PolarHBondContact NH2-ND2 3Å; R258-N271 PolarHBondContact NH2-OD1 3.34Å; R258-N271 VanDerWaalsContact NH2-OD1 3.16Å; N271-M274 PolarHBondContact O-N 3.44Å; N271-K275 PolarHBondContact O-N 3.17Å; N271-K275 VanDerWaalsContact O-N 3.16Å
272Y98.4Very high97.4Very high59 Ų5926 Ų2623%0.23114%0.143CC..Hα-helixtrans-73.6-40180-168.5-111.6000110.9E238 N270 M274 K275 T276 H318 L326E238-Y272 WeakPolarHBondContact OE1-CE2 3.41Å; E238-Y272 PolarHBondContact OE1-OH 3.3Å; E238-Y272 WeakPolarHBondContact OE2-CE2 3.46Å; N270-Y272 PolarHBondContact O-N 2.88Å; N270-Y272 WeakPolarHBondContact OD1-CA 3.39Å; N270-Y272 WeakPolarHBondContact OD1-CB 3.5Å; N270-Y272 PolarHBondContact OD1-N 2.97Å; Y272-M274 PolarHBondContact O-N 2.86Å; Y272-K275 HydrophobicContact CD2-CD 4.41Å; Y272-K275 HydrophobicContact CE2-CD 4.46Å; Y272-K275 WeakPolarHBondContact O-CA 3.41Å; Y272-K275 WeakPolarHBondContact O-CB 3.49Å; Y272-K275 PolarHBondContact O-N 3.46Å; Y272-T276 PolarHBondContact O-N 2.96Å; Y272-T276 PolarHBondContact O-OG1 3.17Å; Y272-T276 VanDerWaalsContact O-OG1 3.07Å; Y272-H318 AromaticContact CE1-CD2 3.82Å; Y272-H318 AromaticContact CZ-NE2 3.9Å; Y272-H318 PolarHBondContact OH-CD2 3.2Å; Y272-H318 VanDerWaalsContact OH-CD2 3.3Å; Y272-H318 PolarHBondContact OH-CE1 2.88Å; Y272-H318 PolarHBondContact OH-NE2 3.46Å; Y272-L326 HydrophobicContact CD1-CD1 4.01Å; Y272-L326 HydrophobicContact CD1-CD2 4.08Å; Y272-L326 HydrophobicContact CE1-CD1 4.02Å; Y272-L326 HydrophobicContact CE1-CD2 3.84Å
273H98.7Very high97.5Very high1 Ų127.5 Ų27.51%0.00515%0.149CC..Hα-helixtrans-54.1-43.2170.6-54.4145.9000111.8P268 L269 N270 K275 T276 L277 L326 F327P268-H273 PolarHBondContact O-CE1 2.91Å; P268-H273 VanDerWaalsContact O-CE1 3.24Å; L269-H273 WeakPolarHBondContact CA-ND1 3.47Å; N270-H273 PolarHBondContact N-ND1 2.83Å; N270-H273 PolarHBondContact ND2-CE1 3.31Å; N270-H273 PolarHBondContact ND2-NE2 3.43Å; N270-H273 PolarHBondContact O-N 3.26Å; N270-H273 PolarHBondContact OD1-N 3.36Å; H273-K275 VanDerWaalsContact C-N 3.35Å; H273-K275 PolarHBondContact O-N 3.33Å; H273-T276 PolarHBondContact O-N 3.47Å; H273-L277 WeakPolarHBondContact O-CB 3.48Å; H273-L277 VanDerWaalsContact O-CG 3.32Å; H273-L277 WeakPolarHBondContact O-CG 3.36Å; H273-L277 PolarHBondContact O-N 2.88Å; H273-L326 PolarHBondContact NE2-O 2.88Å; H273-F327 AromaticContact CE1-CD1 3.95Å; H273-F327 AromaticContact CE1-CE1 3.69Å; H273-F327 AromaticContact ND1-CE1 3.8Å; H273-F327 AromaticContact NE2-CD1 3.93Å; H273-F327 AromaticContact NE2-CE1 3.91Å
274M98.8Very high97.6Very high1 Ų128.7 Ų28.71%0.00515%0.154CC..Hα-helixtrans-63.3-41.3177.2-54-53.8176.900111.7L251 L254 R258 L262 N271 Y272 V278 L307L251-M274 HydrophobicContact CD1-CB 3.91Å; L254-M274 HydrophobicContact CB-CB 4Å; L254-M274 HydrophobicContact CB-CG 4.09Å; L254-M274 HydrophobicContact CB-SD 4.24Å; L254-M274 HydrophobicContact CD2-SD 4.35Å; R258-M274 HydrophobicContact CB-CE 3.92Å; R258-M274 HydrophobicContact CG-CE 4.01Å; L262-M274 HydrophobicContact CD1-CE 4.15Å; N271-M274 PolarHBondContact O-N 3.44Å; Y272-M274 PolarHBondContact O-N 2.86Å; M274-V278 VanDerWaalsContact O-CG2 3.25Å; M274-V278 WeakPolarHBondContact O-CG2 3.31Å; M274-V278 PolarHBondContact O-N 3.03Å; M274-V278 VanDerWaalsContact O-N 3.11Å; M274-L307 HydrophobicContact CE-CD2 3.67Å; M274-L307 HydrophobicContact SD-CD2 3.96Å
275K98.8Very high97.7Very high13 Ų1329.9 Ų29.96%0.05716%0.158CC..Hα-helixtrans-64.2-46.8178.2-164.6-176.8-171.9-164.70110.8A235 E238 N239 L242 L251 N271 Y272 H273 L277 V278 S279A235-K275 PolarHBondContact O-NZ 3.47Å; E238-K275 HydrophobicContact CB-CD 4.45Å; E238-K275 WeakPolarHBondContact OE2-CD 3.25Å; E238-K275 VanDerWaalsContact OE2-CE 3.24Å; E238-K275 WeakPolarHBondContact OE2-CE 3.32Å; E238-K275 IonicContact OE2-NZ 3.65Å; E238-K275 PolarHBondContact OE2-NZ 3.41Å; N239-K275 WeakPolarHBondContact OD1-CE 3.44Å; N239-K275 PolarHBondContact OD1-NZ 2.79Å; L242-K275 HydrophobicContact CD1-CG 3.86Å; L251-K275 HydrophobicContact CD1-CB 4.18Å; L251-K275 HydrophobicContact CD2-CB 4.35Å; L251-K275 HydrophobicContact CD2-CG 4.01Å; N271-K275 PolarHBondContact O-N 3.17Å; N271-K275 VanDerWaalsContact O-N 3.16Å; Y272-K275 HydrophobicContact CD2-CD 4.41Å; Y272-K275 HydrophobicContact CE2-CD 4.46Å; Y272-K275 WeakPolarHBondContact O-CA 3.41Å; Y272-K275 WeakPolarHBondContact O-CB 3.49Å; Y272-K275 PolarHBondContact O-N 3.46Å; H273-K275 VanDerWaalsContact C-N 3.35Å; H273-K275 PolarHBondContact O-N 3.33Å; K275-L277 PolarHBondContact O-N 2.99Å; K275-V278 PolarHBondContact O-N 2.88Å; K275-S279 PolarHBondContact O-N 3.24Å; K275-S279 PolarHBondContact O-OG 2.61Å
276T98.9Very high97.9Very high1 Ų126.4 Ų26.41%0.00614%0.136CC..Hα-helixtrans-59-45.7176.9-58.40000112Y272 H273 V278 S279 Y280 P317 L326Y272-T276 PolarHBondContact O-N 2.96Å; Y272-T276 PolarHBondContact O-OG1 3.17Å; Y272-T276 VanDerWaalsContact O-OG1 3.07Å; H273-T276 PolarHBondContact O-N 3.47Å; T276-V278 VanDerWaalsContact C-N 3.35Å; T276-V278 PolarHBondContact O-N 2.96Å; T276-S279 WeakPolarHBondContact O-CB 3.21Å; T276-S279 PolarHBondContact O-N 3.49Å; T276-Y280 HydrophobicContact CG2-CD2 3.85Å; T276-Y280 HydrophobicContact CG2-CE2 3.6Å; T276-Y280 WeakPolarHBondContact O-CD2 3.35Å; T276-Y280 PolarHBondContact O-N 2.93Å; T276-Y280 VanDerWaalsContact O-N 3.07Å; T276-P317 WeakPolarHBondContact CG2-O 3.3Å; T276-L326 HydrophobicContact CG2-CD1 3.86Å; T276-L326 WeakPolarHBondContact OG1-CD1 3.47Å
277L98.9Very high98.2Very high3 Ų331.7 Ų31.72%0.01614%0.141CC..Hα-helixtrans-68.9-31179.9-69-179.7000113.3H273 K275 S279 Y280 E281 I303 Q306 L307H273-L277 WeakPolarHBondContact O-CB 3.48Å; H273-L277 VanDerWaalsContact O-CG 3.32Å; H273-L277 WeakPolarHBondContact O-CG 3.36Å; H273-L277 PolarHBondContact O-N 2.88Å; K275-L277 PolarHBondContact O-N 2.99Å; L277-S279 VanDerWaalsContact C-N 3.33Å; L277-Y280 PolarHBondContact O-N 3.3Å; L277-E281 WeakPolarHBondContact O-CB 3.38Å; L277-E281 PolarHBondContact O-N 3.42Å; L277-I303 HydrophobicContact CB-CG2 3.88Å; L277-I303 HydrophobicContact CD1-CG2 4.47Å; L277-Q306 HydrophobicContact CD2-CG 3.87Å; L277-L307 HydrophobicContact CD1-CB 3.53Å; L277-L307 HydrophobicContact CD1-CD1 3.61Å; L277-L307 HydrophobicContact CD1-CG 4.12Å
278V98.9Very high98.4Very high0 Ų031.5 Ų31.50%014%0.14CC..Hα-helixtrans-63-41.5171174.90000110.5L242 L251 L254 M274 K275 T276 E281 C282 W291 I303L242-V278 HydrophobicContact CD1-CG1 4.32Å; L242-V278 HydrophobicContact CD2-CB 4.48Å; L242-V278 HydrophobicContact CD2-CG1 3.76Å; L251-V278 HydrophobicContact CB-CG2 4.17Å; L251-V278 HydrophobicContact CD1-CG2 4.15Å; L254-V278 HydrophobicContact CD1-CG2 3.74Å; M274-V278 VanDerWaalsContact O-CG2 3.25Å; M274-V278 WeakPolarHBondContact O-CG2 3.31Å; M274-V278 PolarHBondContact O-N 3.03Å; M274-V278 VanDerWaalsContact O-N 3.11Å; K275-V278 PolarHBondContact O-N 2.88Å; T276-V278 VanDerWaalsContact C-N 3.35Å; T276-V278 PolarHBondContact O-N 2.96Å; V278-E281 PolarHBondContact O-N 3.17Å; V278-C282 PolarHBondContact O-N 2.69Å; V278-C282 PolarHBondContact O-SG 3.44Å; V278-W291 HydrophobicContact CG1-CH2 4.13Å; V278-W291 HydrophobicContact CG1-CZ3 4.39Å; V278-I303 HydrophobicContact CB-CD1 4.42Å; V278-I303 HydrophobicContact CG2-CD1 3.75Å
279S98.9Very high98.5Very high1 Ų134.2 Ų34.21%0.00716%0.159CC..Hα-helixtrans-62.7-45.6176.2-570000112.1K275 T276 L277 E281 C282 E283 Y319K275-S279 PolarHBondContact O-N 3.24Å; K275-S279 PolarHBondContact O-OG 2.61Å; T276-S279 WeakPolarHBondContact O-CB 3.21Å; T276-S279 PolarHBondContact O-N 3.49Å; L277-S279 VanDerWaalsContact C-N 3.33Å; S279-E281 VanDerWaalsContact C-N 3.34Å; S279-E281 PolarHBondContact O-N 3.46Å; S279-C282 WeakPolarHBondContact O-CB 3.5Å; S279-C282 PolarHBondContact O-N 2.95Å; S279-C282 VanDerWaalsContact O-N 3.15Å; S279-E283 PolarHBondContact O-N 3.37Å; S279-Y319 VanDerWaalsContact CB-CD2 3.44Å
280Y98.9Very high98.5Very high44 Ų4435 Ų3517%0.17316%0.163CC..Hα-helixtrans-64.6-36175-78-61.3000113.3T276 L277 C282 E283 K284 P317 H318 Y319T276-Y280 HydrophobicContact CG2-CD2 3.85Å; T276-Y280 HydrophobicContact CG2-CE2 3.6Å; T276-Y280 WeakPolarHBondContact O-CD2 3.35Å; T276-Y280 PolarHBondContact O-N 2.93Å; T276-Y280 VanDerWaalsContact O-N 3.07Å; L277-Y280 PolarHBondContact O-N 3.3Å; Y280-C282 PolarHBondContact O-N 3.45Å; Y280-E283 PolarHBondContact O-N 3.49Å; Y280-K284 PolarHBondContact O-N 3.07Å; Y280-P317 HydrophobicContact CE2-CG 4.21Å; Y280-P317 WeakPolarHBondContact CE2-O 3.38Å; Y280-H318 PolarHBondContact OH-O 2.95Å; Y280-Y319 AromaticContact CD1-CD2 3.9Å; Y280-Y319 HydrophobicContact CD1-CD2 3.9Å; Y280-Y319 HydrophobicContact CD1-CE2 4.13Å; Y280-Y319 HydrophobicContact CD2-CD2 4.22Å; Y280-Y319 AromaticContact CE1-CD2 3.85Å; Y280-Y319 HydrophobicContact CE1-CD2 3.85Å; Y280-Y319 HydrophobicContact CE1-CE2 4.29Å; Y280-Y319 HydrophobicContact CE2-CD2 4.18Å; Y280-Y319 HydrophobicContact CG-CD2 4.09Å; Y280-Y319 AromaticContact CZ-CD2 4Å; Y280-Y319 WeakPolarHBondContact OH-CA 3.36Å
281E98.9Very high98.6Very high3 Ų332.7 Ų32.71%0.01415%0.151CC..Hα-helixtrans-64.9-31.5175.1-169.871.7-179.200111.4L277 V278 S279 E283 K284 H285 W291 R299 I303L277-E281 WeakPolarHBondContact O-CB 3.38Å; L277-E281 PolarHBondContact O-N 3.42Å; V278-E281 PolarHBondContact O-N 3.17Å; S279-E281 VanDerWaalsContact C-N 3.34Å; S279-E281 PolarHBondContact O-N 3.46Å; E281-E283 VanDerWaalsContact C-N 3.34Å; E281-K284 PolarHBondContact O-N 3.04Å; E281-K284 IonicContact OE2-NZ 2.94Å; E281-H285 WeakPolarHBondContact O-CB 3.17Å; E281-H285 PolarHBondContact O-N 3.02Å; E281-H285 PolarHBondContact O-ND1 3.23Å; E281-H285 IonicContact OE1-CE1 2.84Å; E281-H285 PolarHBondContact OE1-CE1 3.21Å; E281-H285 IonicContact OE1-ND1 3.52Å; E281-H285 PolarHBondContact OE1-ND1 3.25Å; E281-H285 VanDerWaalsContact OE1-ND1 3.15Å; E281-W291 HydrophobicContact CB-CH2 4.07Å; E281-W291 HydrophobicContact CB-CZ2 4.06Å; E281-W291 HydrophobicContact CG-CH2 3.93Å; E281-W291 HydrophobicContact CG-CZ2 3.9Å; E281-R299 IonicContact OE1-NH1 3.54Å; E281-R299 PolarHBondContact OE1-NH1 3.05Å; E281-I303 HydrophobicContact CB-CD1 4.1Å; E281-I303 HydrophobicContact CB-CG1 3.64Å; E281-I303 HydrophobicContact CG-CD1 4.11Å; E281-I303 HydrophobicContact CG-CG1 3.67Å
282C98.8Very high98.6Very high0 Ų036 Ų360%017%0.169CC..Hα-helixtrans-66.8-35.3175-65.50000111.9W194 R247 V278 S279 Y280 H285 P286 W291W194-C282 HydrophobicContact CD2-CB 3.82Å; W194-C282 HydrophobicContact CE3-CB 3.72Å; W194-C282 HydrophobicContact CH2-CB 3.28Å; W194-C282 HydrophobicContact CZ2-CB 3.44Å; W194-C282 VanDerWaalsContact CZ2-CB 3.44Å; W194-C282 HydrophobicContact CZ3-CB 3.45Å; W194-C282 VanDerWaalsContact CZ3-CB 3.45Å; R247-C282 PolarHBondContact NE-SG 3.28Å; V278-C282 PolarHBondContact O-N 2.69Å; V278-C282 PolarHBondContact O-SG 3.44Å; S279-C282 WeakPolarHBondContact O-CB 3.5Å; S279-C282 PolarHBondContact O-N 2.95Å; S279-C282 VanDerWaalsContact O-N 3.15Å; Y280-C282 PolarHBondContact O-N 3.45Å; C282-H285 CarbonylContact O-C 3.1Å; C282-H285 PolarHBondContact O-N 3.3Å; C282-H285 VanDerWaalsContact O-O 3.07Å; C282-P286 VanDerWaalsContact O-CA 3.23Å; C282-P286 WeakPolarHBondContact O-CA 3.22Å; C282-W291 HydrophobicContact CB-CZ2 4.09Å; C282-W291 VanDerWaalsContact SG-CE2 3.55Å; C282-W291 WeakPolarHBondContact SG-CZ2 3.35Å
283E98.6Very high98.6Very high33 Ų3337.4 Ų37.415%0.15418%0.177CC..Hα-helixtrans-66.8-37.6174.4-64.7-170.4161.600112.4I192 W194 S279 Y280 E281 H285 Y319I192-E283 HydrophobicContact CD1-CB 4.08Å; I192-E283 VanDerWaalsContact CD1-CD 3.42Å; I192-E283 HydrophobicContact CD1-CG 4.09Å; I192-E283 VanDerWaalsContact CD1-OE2 3.31Å; I192-E283 WeakPolarHBondContact CD1-OE2 3.23Å; I192-E283 HydrophobicContact CG2-CB 3.76Å; I192-E283 HydrophobicContact CG2-CG 3.84Å; W194-E283 HydrophobicContact CE3-CG 4.14Å; W194-E283 HydrophobicContact CZ3-CG 4.37Å; S279-E283 PolarHBondContact O-N 3.37Å; Y280-E283 PolarHBondContact O-N 3.49Å; E281-E283 VanDerWaalsContact C-N 3.34Å; E283-H285 VanDerWaalsContact C-N 3.34Å; E283-Y319 HydrophobicContact CG-CE2 4.07Å; E283-Y319 VanDerWaalsContact OE1-CE2 3.23Å; E283-Y319 WeakPolarHBondContact OE1-CE2 3.23Å; E283-Y319 VanDerWaalsContact OE1-CZ 3.24Å; E283-Y319 PolarHBondContact OE1-OH 3.25Å
284K98.5Very high98.5Very high107 Ų10742 Ų4247%0.46520%0.202SC..Hα-helixtrans-70.2-31.2175.6-65.9177.9-177.2177.70113.3Y280 E281 P286Y280-K284 PolarHBondContact O-N 3.07Å; E281-K284 PolarHBondContact O-N 3.04Å; E281-K284 IonicContact OE2-NZ 2.94Å; K284-P286 VanDerWaalsContact C-CD 3.46Å; K284-P286 WeakPolarHBondContact O-CD 3.36Å
285H98.6Very high98.4Very high50 Ų5042.9 Ų42.923%0.23121%0.208CC..SBendtrans-125.173.3-178.2-61.995.3000109.4E281 C282 E283 R287 D290 W291 R299E281-H285 WeakPolarHBondContact O-CB 3.17Å; E281-H285 PolarHBondContact O-N 3.02Å; E281-H285 PolarHBondContact O-ND1 3.23Å; E281-H285 IonicContact OE1-CE1 2.84Å; E281-H285 PolarHBondContact OE1-CE1 3.21Å; E281-H285 IonicContact OE1-ND1 3.52Å; E281-H285 PolarHBondContact OE1-ND1 3.25Å; E281-H285 VanDerWaalsContact OE1-ND1 3.15Å; C282-H285 CarbonylContact O-C 3.1Å; C282-H285 PolarHBondContact O-N 3.3Å; C282-H285 VanDerWaalsContact O-O 3.07Å; E283-H285 VanDerWaalsContact C-N 3.34Å; H285-R287 PolarHBondContact O-N 3.11Å; H285-D290 HydrophobicContact CB-CB 3.76Å; H285-W291 PolarHBondContact O-NE1 2.8Å; H285-R299 VanDerWaalsContact CD2-CZ 3.49Å; H285-R299 PolarHBondContact CD2-NH2 2.91Å; H285-R299 PolarHBondContact CE1-NH1 2.68Å; H285-R299 PolarHBondContact ND1-NH1 3.42Å; H285-R299 PolarHBondContact NE2-NH1 2.97Å; H285-R299 PolarHBondContact NE2-NH2 3.44Å
286P98.2Very high98.4Very high34 Ų3442.3 Ų42.322%0.22121%0.205CC..  trans-78.3-15.4-163.629.9-36.8000114.6P193 W194 C282 K284P193-P286 HydrophobicContact CG-CB 3.73Å; P193-P286 HydrophobicContact CG-CG 3.66Å; W194-P286 HydrophobicContact CB-CB 3.45Å; W194-P286 VanDerWaalsContact CB-CB 3.45Å; W194-P286 VanDerWaalsContact CD1-O 3.24Å; W194-P286 HydrophobicContact CG-CB 4.38Å; C282-P286 VanDerWaalsContact O-CA 3.23Å; C282-P286 WeakPolarHBondContact O-CA 3.22Å; K284-P286 VanDerWaalsContact C-CD 3.46Å; K284-P286 WeakPolarHBondContact O-CD 3.36Å
287R98.3Very high98.3Very high159 Ų15942.3 Ų42.360%0.621%0.205SC*.SBendtrans-82.2144.3-176.7-55.5172.5-67.9-176.53.3109.7H285 S289 D290H285-R287 PolarHBondContact O-N 3.11Å; R287-S289 PolarHBondContact O-N 3.47Å; R287-D290 VanDerWaalsContact CB-OD2 3.29Å; R287-D290 WeakPolarHBondContact CB-OD2 3.44Å; R287-D290 IonicContact CZ-OD1 3.34Å; R287-D290 IonicContact CZ-OD2 2.76Å; R287-D290 PolarHBondContact N-OD2 3.49Å; R287-D290 IonicContact NE-OD1 3.68Å; R287-D290 PolarHBondContact NE-OD1 3.29Å; R287-D290 IonicContact NE-OD2 3.05Å; R287-D290 PolarHBondContact NE-OD2 2.97Å; R287-D290 IonicContact NH2-OD1 3.83Å; R287-D290 PolarHBondContact NH2-OD1 3.37Å; R287-D290 IonicContact NH2-OD2 3.51Å; R287-D290 WeakPolarHBondContact O-CB 3.33Å; R287-D290 PolarHBondContact O-N 2.91Å
288E98.1Very high98.3Very high96 Ų9644.8 Ų44.845%0.44922%0.219SC..G310 helixtrans-58.1-35.9175.6-67.9-56.3116.700112R247 D290 W291 D292R247-E288 IonicContact CZ-OE1 3.91Å; R247-E288 IonicContact CZ-OE2 2.67Å; R247-E288 IonicContact NH1-OE1 2.78Å; R247-E288 PolarHBondContact NH1-OE1 2.98Å; R247-E288 IonicContact NH1-OE2 3.8Å; R247-E288 PolarHBondContact NH1-OE2 3.06Å; R247-E288 IonicContact NH2-OE1 3.45Å; R247-E288 PolarHBondContact NH2-OE1 3.11Å; R247-E288 IonicContact NH2-OE2 2.76Å; E288-D290 PolarHBondContact O-N 3.17Å; E288-W291 CarbonylContact O-C 3.56Å; E288-W291 WeakPolarHBondContact O-CA 3.5Å; E288-W291 PolarHBondContact O-N 3.39Å; E288-D292 PolarHBondContact O-N 3.46Å
289S98.3Very high98.3Very high57 Ų5745.9 Ų45.940%0.39922%0.223SC..G310 helixtrans-63.3-24.8176.264.20000113.8R287 W291 D292 C295R287-S289 PolarHBondContact O-N 3.47Å; S289-W291 PolarHBondContact O-N 3.3Å; S289-D292 WeakPolarHBondContact CA-OD2 3.35Å; S289-D292 WeakPolarHBondContact O-CB 3.38Å; S289-D292 PolarHBondContact O-N 3.04Å; S289-C295 PolarHBondContact O-SG 3.05Å
290D98.4Very high98.3Very high19 Ų1946 Ų4610%0.10222%0.223CC..G310 helixtrans-72.7-9.2176.7-58.5-43.2000111.8H285 R287 E288 C295 R299H285-D290 HydrophobicContact CB-CB 3.76Å; R287-D290 VanDerWaalsContact CB-OD2 3.29Å; R287-D290 WeakPolarHBondContact CB-OD2 3.44Å; R287-D290 IonicContact CZ-OD1 3.34Å; R287-D290 IonicContact CZ-OD2 2.76Å; R287-D290 PolarHBondContact N-OD2 3.49Å; R287-D290 IonicContact NE-OD1 3.68Å; R287-D290 PolarHBondContact NE-OD1 3.29Å; R287-D290 IonicContact NE-OD2 3.05Å; R287-D290 PolarHBondContact NE-OD2 2.97Å; R287-D290 IonicContact NH2-OD1 3.83Å; R287-D290 PolarHBondContact NH2-OD1 3.37Å; R287-D290 IonicContact NH2-OD2 3.51Å; R287-D290 WeakPolarHBondContact O-CB 3.33Å; R287-D290 PolarHBondContact O-N 2.91Å; E288-D290 PolarHBondContact O-N 3.17Å; D290-C295 WeakPolarHBondContact O-CB 3.24Å; D290-R299 VanDerWaalsContact O-CD 3.3Å; D290-R299 WeakPolarHBondContact O-CD 3.32Å; D290-R299 PolarHBondContact O-NE 3.22Å
291W98.6Very high98.3Very high0 Ų045.9 Ų45.90%023%0.226CC..G310 helixtrans-116.212.5177.4-67.489.4000112.9G245 C246 R247 V278 E281 C282 H285 E288 S289 R299 I303G245-W291 CarbonylContact C-O 3.33Å; G245-W291 VanDerWaalsContact CA-O 3.27Å; G245-W291 WeakPolarHBondContact CA-O 3.36Å; C246-W291 PolarHBondContact N-O 2.93Å; C246-W291 PolarHBondContact SG-O 3.15Å; R247-W291 HydrophobicContact CB-CE3 4.12Å; R247-W291 HydrophobicContact CB-CZ3 4.33Å; R247-W291 HydrophobicContact CG-CB 4.35Å; R247-W291 HydrophobicContact CG-CD2 3.47Å; R247-W291 VanDerWaalsContact CG-CD2 3.47Å; R247-W291 HydrophobicContact CG-CE3 3.3Å; R247-W291 HydrophobicContact CG-CG 3.94Å; R247-W291 HydrophobicContact CG-CH2 4.4Å; R247-W291 HydrophobicContact CG-CZ3 3.79Å; V278-W291 HydrophobicContact CG1-CH2 4.13Å; V278-W291 HydrophobicContact CG1-CZ3 4.39Å; E281-W291 HydrophobicContact CB-CH2 4.07Å; E281-W291 HydrophobicContact CB-CZ2 4.06Å; E281-W291 HydrophobicContact CG-CH2 3.93Å; E281-W291 HydrophobicContact CG-CZ2 3.9Å; C282-W291 HydrophobicContact CB-CZ2 4.09Å; C282-W291 VanDerWaalsContact SG-CE2 3.55Å; C282-W291 WeakPolarHBondContact SG-CZ2 3.35Å; H285-W291 PolarHBondContact O-NE1 2.8Å; E288-W291 CarbonylContact O-C 3.56Å; E288-W291 WeakPolarHBondContact O-CA 3.5Å; E288-W291 PolarHBondContact O-N 3.39Å; S289-W291 PolarHBondContact O-N 3.3Å; W291-R299 HydrophobicContact CD2-CG 4.11Å; W291-R299 HydrophobicContact CE3-CB 4.27Å; W291-R299 HydrophobicContact CE3-CG 3.73Å; W291-R299 HydrophobicContact CH2-CB 4.21Å; W291-R299 HydrophobicContact CH2-CG 4.14Å; W291-R299 HydrophobicContact CZ2-CG 4.43Å; W291-R299 HydrophobicContact CZ3-CB 3.85Å; W291-R299 HydrophobicContact CZ3-CG 3.77Å; W291-I303 HydrophobicContact CH2-CD1 4.32Å
292D98.3Very high98.3Very high76 Ų7646.7 Ų46.741%0.40624%0.235SC..SBendtrans-59.3162.6171.1-75.2-16.6000111.1E288 S289 N294 C295E288-D292 PolarHBondContact O-N 3.46Å; S289-D292 WeakPolarHBondContact CA-OD2 3.35Å; S289-D292 WeakPolarHBondContact O-CB 3.38Å; S289-D292 PolarHBondContact O-N 3.04Å; D292-N294 WeakPolarHBondContact CB-OD1 3.25Å; D292-N294 PolarHBondContact O-N 3.36Å; D292-C295 WeakPolarHBondContact O-CB 3.21Å; D292-C295 PolarHBondContact O-N 3.5Å
293E97.4Very high98.3Very high87 Ų8746.7 Ų46.741%0.40724%0.235SC..G310 helixtrans-61.8-29.4-174.4-72.5-67175.500113.6K249 C295 L296K249-E293 IonicContact NZ-OE1 3.91Å; K249-E293 PolarHBondContact NZ-OE1 3.36Å; K249-E293 IonicContact NZ-OE2 2.61Å; K249-E293 PolarHBondContact NZ-OE2 3.06Å; E293-C295 VanDerWaalsContact C-N 3.3Å; E293-L296 WeakPolarHBondContact O-CB 3.41Å
294N96.4Very high98.3Very high98 Ų9845.3 Ų45.352%0.52423%0.229SC..G310 helixtrans-73.5-1917461.1-13.8000113.3V9 D292V9-N294 VanDerWaalsContact CG2-O 3.29Å; V9-N294 WeakPolarHBondContact CG2-O 3.26Å; D292-N294 WeakPolarHBondContact CB-OD1 3.25Å; D292-N294 PolarHBondContact O-N 3.36Å
295C97.9Very high98.3Very high19 Ų1943.7 Ų43.713%0.12823%0.225CC..G310 helixtrans-87-4.6177.5-65.80000113.3S289 D290 D292 E293 G297 D298 R299S289-C295 PolarHBondContact O-SG 3.05Å; D290-C295 WeakPolarHBondContact O-CB 3.24Å; D292-C295 WeakPolarHBondContact O-CB 3.21Å; D292-C295 PolarHBondContact O-N 3.5Å; E293-C295 VanDerWaalsContact C-N 3.3Å; C295-G297 PolarHBondContact O-N 3.08Å; C295-G297 VanDerWaalsContact O-N 3.15Å; C295-D298 PolarHBondContact O-N 3.49Å; C295-R299 HydrophobicContact CB-CG 4.47Å; C295-R299 WeakPolarHBondContact O-CG 3.35Å; C295-R299 PolarHBondContact O-N 2.83Å
296L98.4Very high98.3Very high1 Ų143.7 Ų43.71%0.00523%0.225CC..Hα-helixtrans-52.2-41-177.3177.662.5000113L12 C246 K249 C250 E293 L300L12-L296 HydrophobicContact CB-CD2 3.93Å; L12-L296 HydrophobicContact CB-CG 4.43Å; L12-L296 HydrophobicContact CD1-CG 4.22Å; C246-L296 HydrophobicContact CB-CB 4.48Å; C246-L296 HydrophobicContact CB-CD1 4.19Å; K249-L296 HydrophobicContact CD-CD2 3.77Å; K249-L296 HydrophobicContact CG-CD2 4.39Å; C250-L296 HydrophobicContact CB-CD1 3.85Å; E293-L296 WeakPolarHBondContact O-CB 3.41Å; L296-L300 WeakPolarHBondContact O-CB 3.42Å; L296-L300 PolarHBondContact O-N 3.26Å
297G98Very high98.3Very high1 Ų142.1 Ų42.11%0.0121%0.214CC..Hα-helixtrans-63.6-45.317800000112.8C295 N301C295-G297 PolarHBondContact O-N 3.08Å; C295-G297 VanDerWaalsContact O-N 3.15Å; G297-N301 WeakPolarHBondContact O-CB 3.44Å; G297-N301 PolarHBondContact O-N 3.05Å
298D98.1Very high98.4Very high56 Ų5635 Ų3530%0.29919%0.188SC..Hα-helixtrans-68.8-41.9-179.3-57.5-37.9000111.3Q5 C295 N301 G302Q5-D298 PolarHBondContact NE2-OD2 3.38Å; C295-D298 PolarHBondContact O-N 3.49Å; D298-N301 PolarHBondContact O-N 2.8Å; D298-G302 PolarHBondContact O-N 3.27Å
299R98.8Very high98.4Very high22 Ų2232.7 Ų32.78%0.08318%0.183CC..Hα-helixtrans-63.4-46.4177.1-63.1-55.9116.5-105.7-5.7111.8E281 H285 D290 W291 C295 N301 G302 I303E281-R299 IonicContact OE1-NH1 3.54Å; E281-R299 PolarHBondContact OE1-NH1 3.05Å; H285-R299 VanDerWaalsContact CD2-CZ 3.49Å; H285-R299 PolarHBondContact CD2-NH2 2.91Å; H285-R299 PolarHBondContact CE1-NH1 2.68Å; H285-R299 PolarHBondContact ND1-NH1 3.42Å; H285-R299 PolarHBondContact NE2-NH1 2.97Å; H285-R299 PolarHBondContact NE2-NH2 3.44Å; D290-R299 VanDerWaalsContact O-CD 3.3Å; D290-R299 WeakPolarHBondContact O-CD 3.32Å; D290-R299 PolarHBondContact O-NE 3.22Å; W291-R299 HydrophobicContact CD2-CG 4.11Å; W291-R299 HydrophobicContact CE3-CB 4.27Å; W291-R299 HydrophobicContact CE3-CG 3.73Å; W291-R299 HydrophobicContact CH2-CB 4.21Å; W291-R299 HydrophobicContact CH2-CG 4.14Å; W291-R299 HydrophobicContact CZ2-CG 4.43Å; W291-R299 HydrophobicContact CZ3-CB 3.85Å; W291-R299 HydrophobicContact CZ3-CG 3.77Å; C295-R299 HydrophobicContact CB-CG 4.47Å; C295-R299 WeakPolarHBondContact O-CG 3.35Å; C295-R299 PolarHBondContact O-N 2.83Å; R299-N301 VanDerWaalsContact C-N 3.31Å; R299-N301 PolarHBondContact O-N 2.96Å; R299-G302 PolarHBondContact O-N 3.39Å; R299-I303 WeakPolarHBondContact O-CD1 3.45Å; R299-I303 VanDerWaalsContact O-CG1 3.26Å; R299-I303 WeakPolarHBondContact O-CG1 3.49Å; R299-I303 PolarHBondContact O-N 2.93Å
300L98.7Very high98.4Very high3 Ų330.4 Ų30.42%0.01617%0.167CC..Hα-helixtrans-61.2-44177.6-175.873.9000111.1L12 V253 L254 L296 I303 L304L12-L300 HydrophobicContact CD1-CB 4.42Å; L12-L300 HydrophobicContact CD1-CD2 3.8Å; L12-L300 HydrophobicContact CD2-CD2 3.31Å; L12-L300 HydrophobicContact CG-CD2 4.21Å; V253-L300 HydrophobicContact CB-CD1 4.36Å; V253-L300 HydrophobicContact CG1-CD1 3.91Å; V253-L300 HydrophobicContact CG1-CD2 3.94Å; L254-L300 HydrophobicContact CD2-CD1 3.58Å; L254-L300 HydrophobicContact CG-CD1 3.66Å; L296-L300 WeakPolarHBondContact O-CB 3.42Å; L296-L300 PolarHBondContact O-N 3.26Å; L300-I303 PolarHBondContact O-N 2.9Å; L300-L304 HydrophobicContact CG-CD1 4.19Å; L300-L304 WeakPolarHBondContact O-CG 3.36Å; L300-L304 PolarHBondContact O-N 3.44Å
301N98.2Very high98.4Very high42 Ų4229.6 Ų29.623%0.22516%0.162CC..Hα-helixtrans-61-50.6177.6-176.527.3000111.8G297 D298 R299 I303 L304 L305 L350G297-N301 WeakPolarHBondContact O-CB 3.44Å; G297-N301 PolarHBondContact O-N 3.05Å; D298-N301 PolarHBondContact O-N 2.8Å; R299-N301 VanDerWaalsContact C-N 3.31Å; R299-N301 PolarHBondContact O-N 2.96Å; N301-I303 VanDerWaalsContact C-N 3.27Å; N301-I303 PolarHBondContact O-N 2.98Å; N301-L304 PolarHBondContact O-N 3.04Å; N301-L305 WeakPolarHBondContact O-CG 3.46Å; N301-L305 PolarHBondContact O-N 3.36Å; N301-L350 HydrophobicContact CB-CD2 3.95Å; N301-L350 VanDerWaalsContact CG-CD2 3.49Å; N301-L350 WeakPolarHBondContact OD1-CD1 3.49Å
302G98.7Very high98.4Very high20 Ų2035 Ų3521%0.20619%0.188CC..Hα-helixtrans-54.8-43.6177.900000112.4D298 R299 L305 Q306D298-G302 PolarHBondContact O-N 3.27Å; R299-G302 PolarHBondContact O-N 3.39Å; G302-L305 PolarHBondContact O-N 3.28Å; G302-Q306 VanDerWaalsContact O-CB 3.31Å; G302-Q306 WeakPolarHBondContact O-CB 3.34Å; G302-Q306 PolarHBondContact O-N 2.99Å
303I98.9Very high98.4Very high1 Ų135.7 Ų35.71%0.00520%0.197CC..Hα-helixtrans-67.8-42.4178.2-66160.2000112.1L254 L277 V278 E281 W291 R299 L300 N301 Q306 L307L254-I303 HydrophobicContact CD1-CB 4.29Å; L254-I303 HydrophobicContact CD1-CD1 4Å; L254-I303 HydrophobicContact CD1-CG2 3.57Å; L254-I303 HydrophobicContact CD2-CG2 3.95Å; L254-I303 HydrophobicContact CG-CG2 4.43Å; L277-I303 HydrophobicContact CB-CG2 3.88Å; L277-I303 HydrophobicContact CD1-CG2 4.47Å; V278-I303 HydrophobicContact CB-CD1 4.42Å; V278-I303 HydrophobicContact CG2-CD1 3.75Å; E281-I303 HydrophobicContact CB-CD1 4.1Å; E281-I303 HydrophobicContact CB-CG1 3.64Å; E281-I303 HydrophobicContact CG-CD1 4.11Å; E281-I303 HydrophobicContact CG-CG1 3.67Å; W291-I303 HydrophobicContact CH2-CD1 4.32Å; R299-I303 WeakPolarHBondContact O-CD1 3.45Å; R299-I303 VanDerWaalsContact O-CG1 3.26Å; R299-I303 WeakPolarHBondContact O-CG1 3.49Å; R299-I303 PolarHBondContact O-N 2.93Å; L300-I303 PolarHBondContact O-N 2.9Å; N301-I303 VanDerWaalsContact C-N 3.27Å; N301-I303 PolarHBondContact O-N 2.98Å; I303-Q306 PolarHBondContact O-N 3.45Å; I303-L307 WeakPolarHBondContact O-CB 3.48Å; I303-L307 PolarHBondContact O-N 2.87Å
304L98.8Very high98.5Very high4 Ų437.1 Ų37.12%0.02120%0.199CC..Hα-helixtrans-65-41.4177.8-72.5175.2000111.7L254 L300 N301 L307 I308 T342 A346 I349L254-L304 HydrophobicContact CD2-CD2 3.83Å; L254-L304 HydrophobicContact CD2-CG 4.21Å; L300-L304 HydrophobicContact CG-CD1 4.19Å; L300-L304 WeakPolarHBondContact O-CG 3.36Å; L300-L304 PolarHBondContact O-N 3.44Å; N301-L304 PolarHBondContact O-N 3.04Å; L304-L307 WeakPolarHBondContact O-CB 3.35Å; L304-L307 PolarHBondContact O-N 3.4Å; L304-I308 WeakPolarHBondContact O-CD1 3.4Å; L304-I308 VanDerWaalsContact O-CG1 3.24Å; L304-I308 WeakPolarHBondContact O-CG1 3.44Å; L304-I308 PolarHBondContact O-N 3.05Å; L304-T342 HydrophobicContact CD2-CG2 4.35Å; L304-A346 HydrophobicContact CB-CB 4.06Å; L304-A346 HydrophobicContact CD1-CB 4.08Å; L304-I349 HydrophobicContact CD1-CD1 4.36Å
305L98.8Very high98.5Very high73 Ų7339.5 Ų39.538%0.38220%0.201SC..Hα-helixtrans-65.4-40.7174.7-66.7177.1000111.6N301 G302 L307 I308 S309 W343N301-L305 WeakPolarHBondContact O-CG 3.46Å; N301-L305 PolarHBondContact O-N 3.36Å; G302-L305 PolarHBondContact O-N 3.28Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 3.19Å; L305-I308 HydrophobicContact CD2-CD1 4.43Å; L305-I308 PolarHBondContact O-N 3.46Å; L305-S309 PolarHBondContact O-N 3.39Å; L305-W343 HydrophobicContact CD2-CZ3 4.07Å
306Q98.9Very high98.5Very high50 Ų5038.6 Ų38.623%0.23420%0.195CC..Hα-helixtrans-64-37.9174.4-175.656.457.300111.9L277 G302 I303 I308 S309 C310L277-Q306 HydrophobicContact CD2-CG 3.87Å; G302-Q306 VanDerWaalsContact O-CB 3.31Å; G302-Q306 WeakPolarHBondContact O-CB 3.34Å; G302-Q306 PolarHBondContact O-N 2.99Å; I303-Q306 PolarHBondContact O-N 3.45Å; Q306-I308 VanDerWaalsContact C-N 3.34Å; Q306-S309 WeakPolarHBondContact O-CB 3.47Å; Q306-S309 PolarHBondContact O-N 2.6Å; Q306-C310 PolarHBondContact NE2-SG 3.22Å; Q306-C310 VanDerWaalsContact NE2-SG 3.43Å; Q306-C310 PolarHBondContact O-N 2.95Å; Q306-C310 PolarHBondContact O-SG 3.04Å
307L98.9Very high98.5Very high0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-62-44175.5178.260000111.3L269 M274 L277 I303 L304 L305 S309 C310 L311 T342L269-L307 HydrophobicContact CD1-CD2 4.2Å; L269-L307 HydrophobicContact CD2-CD1 3.73Å; L269-L307 HydrophobicContact CD2-CD2 4.46Å; M274-L307 HydrophobicContact CE-CD2 3.67Å; M274-L307 HydrophobicContact SD-CD2 3.96Å; L277-L307 HydrophobicContact CD1-CB 3.53Å; L277-L307 HydrophobicContact CD1-CD1 3.61Å; L277-L307 HydrophobicContact CD1-CG 4.12Å; I303-L307 WeakPolarHBondContact O-CB 3.48Å; I303-L307 PolarHBondContact O-N 2.87Å; L304-L307 WeakPolarHBondContact O-CB 3.35Å; L304-L307 PolarHBondContact O-N 3.4Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 3.19Å; L307-S309 VanDerWaalsContact C-N 3.32Å; L307-S309 PolarHBondContact O-N 3.15Å; L307-C310 PolarHBondContact O-N 3.07Å; L307-L311 HydrophobicContact CD1-CD1 4.16Å; L307-L311 HydrophobicContact CD1-CG 4.33Å; L307-L311 HydrophobicContact CG-CD1 3.96Å; L307-L311 VanDerWaalsContact O-CG 3.29Å; L307-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.14Å; L307-T342 HydrophobicContact CB-CG2 4.49Å; L307-T342 HydrophobicContact CD2-CG2 3.79Å; L307-T342 HydrophobicContact CG-CG2 4.17Å
308I98.8Very high98.6Very high9 Ų940.4 Ų40.45%0.04621%0.206CC..Hα-helixtrans-61.1-45.1176.4-65.1159.2000110.1L304 L305 Q306 C310 L311 Q312 T342 W343 A346L304-I308 WeakPolarHBondContact O-CD1 3.4Å; L304-I308 VanDerWaalsContact O-CG1 3.24Å; L304-I308 WeakPolarHBondContact O-CG1 3.44Å; L304-I308 PolarHBondContact O-N 3.05Å; L305-I308 HydrophobicContact CD2-CD1 4.43Å; L305-I308 PolarHBondContact O-N 3.46Å; Q306-I308 VanDerWaalsContact C-N 3.34Å; I308-C310 PolarHBondContact O-N 3.33Å; I308-L311 PolarHBondContact O-N 3.25Å; I308-Q312 HydrophobicContact CG2-CG 4.44Å; I308-Q312 WeakPolarHBondContact O-CG 3.49Å; I308-Q312 PolarHBondContact O-N 3.22Å; I308-T342 HydrophobicContact CD1-CG2 4.03Å; I308-T342 HydrophobicContact CG1-CG2 3.54Å; I308-W343 HydrophobicContact CD1-CB 3.99Å; I308-W343 HydrophobicContact CD1-CE3 3.96Å; I308-W343 HydrophobicContact CG1-CB 4.5Å; I308-A346 HydrophobicContact CD1-CB 4.22Å
309S98.8Very high98.6Very high48 Ų4838.1 Ų38.134%0.33619%0.193SC..Hα-helixtrans-58-47.9175.1-179.50000112L305 Q306 L307 L311 Q312 C313L305-S309 PolarHBondContact O-N 3.39Å; Q306-S309 WeakPolarHBondContact O-CB 3.47Å; Q306-S309 PolarHBondContact O-N 2.6Å; L307-S309 VanDerWaalsContact C-N 3.32Å; L307-S309 PolarHBondContact O-N 3.15Å; S309-L311 VanDerWaalsContact C-N 3.33Å; S309-L311 PolarHBondContact O-N 3.08Å; S309-Q312 PolarHBondContact O-N 2.95Å; S309-C313 VanDerWaalsContact O-CB 3.25Å; S309-C313 WeakPolarHBondContact O-CB 3.38Å; S309-C313 PolarHBondContact O-N 3.45Å; S309-C313 PolarHBondContact O-SG 3.41Å
310C98.8Very high98.6Very high10 Ų1037 Ų377%0.06819%0.189CC..Hα-helixtrans-58.3-43.9176.2-76.40000112.2Q306 L307 I308 C313 R314 R315 C316 F327Q306-C310 PolarHBondContact NE2-SG 3.22Å; Q306-C310 VanDerWaalsContact NE2-SG 3.43Å; Q306-C310 PolarHBondContact O-N 2.95Å; Q306-C310 PolarHBondContact O-SG 3.04Å; L307-C310 PolarHBondContact O-N 3.07Å; I308-C310 PolarHBondContact O-N 3.33Å; C310-C313 CarbonylContact O-C 3.47Å; C310-C313 PolarHBondContact O-N 3.15Å; C310-R314 WeakPolarHBondContact O-CA 3.39Å; C310-R314 PolarHBondContact O-N 2.97Å; C310-R315 WeakPolarHBondContact CA-O 3.26Å; C310-R315 WeakPolarHBondContact CB-O 3.22Å; C310-R315 PolarHBondContact O-N 2.94Å; C310-R315 PolarHBondContact SG-O 3.37Å; C310-C316 HydrophobicContact CB-CB 4.23Å; C310-F327 HydrophobicContact CB-CE2 3.98Å; C310-F327 HydrophobicContact CB-CZ 4.46Å
311L98.8Very high98.5Very high1 Ų137.2 Ų37.21%0.00519%0.19CC..Hα-helixtrans-65.2-44.9-179.2-73.7163.7000111.9L269 L307 I308 S309 R314 F327 L335 A338 A339L269-L311 HydrophobicContact CD1-CD1 4.28Å; L269-L311 HydrophobicContact CD2-CD1 4.3Å; L269-L311 HydrophobicContact CD2-CD2 3.97Å; L269-L311 HydrophobicContact CD2-CG 4.46Å; L307-L311 HydrophobicContact CD1-CD1 4.16Å; L307-L311 HydrophobicContact CD1-CG 4.33Å; L307-L311 HydrophobicContact CG-CD1 3.96Å; L307-L311 VanDerWaalsContact O-CG 3.29Å; L307-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.14Å; I308-L311 PolarHBondContact O-N 3.25Å; S309-L311 VanDerWaalsContact C-N 3.33Å; S309-L311 PolarHBondContact O-N 3.08Å; L311-R314 PolarHBondContact O-N 3.04Å; L311-R314 VanDerWaalsContact O-N 3.14Å; L311-F327 HydrophobicContact CD2-CE1 4.19Å; L311-F327 HydrophobicContact CD2-CE2 3.8Å; L311-F327 HydrophobicContact CD2-CZ 3.5Å; L311-F327 HydrophobicContact CG-CE2 4.12Å; L311-F327 HydrophobicContact CG-CZ 3.93Å; L311-L335 HydrophobicContact CD2-CB 4.23Å; L311-L335 HydrophobicContact CD2-CD2 3.89Å; L311-A338 HydrophobicContact CD1-CB 4.01Å; L311-A338 HydrophobicContact CD2-CB 3.88Å; L311-A339 HydrophobicContact CB-CB 3.8Å; L311-A339 HydrophobicContact CD1-CB 4.44Å
312Q98.4Very high98.3Very high115 Ų11537.5 Ų37.554%0.53719%0.194SC..Hα-helixtrans-65.9-40.3177.2-70.6178-40.500112I308 S309 R314 A339I308-Q312 HydrophobicContact CG2-CG 4.44Å; I308-Q312 WeakPolarHBondContact O-CG 3.49Å; I308-Q312 PolarHBondContact O-N 3.22Å; S309-Q312 PolarHBondContact O-N 2.95Å; Q312-R314 PolarHBondContact O-N 3.15Å; Q312-A339 HydrophobicContact CG-CB 4Å
313C98.3Very high98Very high90 Ų9043.2 Ų43.261%0.60822%0.22SC*.THydrogen-bonded Turntrans-75.9-7174.8-66.60000113.2S309 C310 R315S309-C313 VanDerWaalsContact O-CB 3.25Å; S309-C313 WeakPolarHBondContact O-CB 3.38Å; S309-C313 PolarHBondContact O-N 3.45Å; S309-C313 PolarHBondContact O-SG 3.41Å; C310-C313 CarbonylContact O-C 3.47Å; C310-C313 PolarHBondContact O-N 3.15Å; C313-R315 PolarHBondContact O-N 3.05Å
314R98.2Very high97.8Very high117 Ų11744.3 Ų44.344%0.44223%0.225SC..THydrogen-bonded Turntrans54.733.3-178.5-53.9169.9-176.8170.72.9113C310 L311 Q312 H332 L335C310-R314 WeakPolarHBondContact O-CA 3.39Å; C310-R314 PolarHBondContact O-N 2.97Å; L311-R314 PolarHBondContact O-N 3.04Å; L311-R314 VanDerWaalsContact O-N 3.14Å; Q312-R314 PolarHBondContact O-N 3.15Å; R314-H332 PolarHBondContact NH1-ND1 3.06Å; R314-H332 VanDerWaalsContact NH1-ND1 3.17Å; R314-L335 HydrophobicContact CB-CD1 4.08Å; R314-L335 HydrophobicContact CG-CD1 4.24Å
315R97.9Very high97.6Very high148 Ų14846 Ų4656%0.55823%0.234SC*.  trans-147.3126.3-178.3-168.8176.9178.5-174.4-1.2110.9C310 C313C310-R315 WeakPolarHBondContact CA-O 3.26Å; C310-R315 WeakPolarHBondContact CB-O 3.22Å; C310-R315 PolarHBondContact O-N 2.94Å; C310-R315 PolarHBondContact SG-O 3.37Å; C313-R315 PolarHBondContact O-N 3.05Å
316C98.4Very high97.5Very high0 Ų043.9 Ų43.90%022%0.223CC..  trans-135.289.9173.2-171.60000108C310 D325 L326 F327C310-C316 HydrophobicContact CB-CB 4.23Å; C316-D325 PolarHBondContact N-OD1 3.35Å; C316-L326 HydrophobicContact CB-CB 4.34Å; C316-L326 VanDerWaalsContact O-CB 3.28Å; C316-L326 WeakPolarHBondContact O-CB 3.37Å; C316-L326 VanDerWaalsContact O-CG 3.3Å; C316-L326 WeakPolarHBondContact O-CG 3.29Å; C316-L326 PolarHBondContact O-N 3.21Å; C316-F327 HydrophobicContact CB-CD1 4.19Å; C316-F327 HydrophobicContact CB-CD2 3.76Å; C316-F327 HydrophobicContact CB-CE1 4.06Å; C316-F327 HydrophobicContact CB-CE2 3.62Å; C316-F327 HydrophobicContact CB-CG 4.05Å; C316-F327 HydrophobicContact CB-CZ 3.77Å
317P98.1Very high97.5Very high33 Ų3341.7 Ų41.721%0.21421%0.213CC..EExtended strand (participates in β ladder)trans-63.7146.8-177.427.2-33.5000111.3T276 Y280 L324T276-P317 WeakPolarHBondContact CG2-O 3.3Å; Y280-P317 HydrophobicContact CE2-CG 4.21Å; Y280-P317 WeakPolarHBondContact CE2-O 3.38Å; P317-L324 CarbonylContact C-O 3.52Å; P317-L324 WeakPolarHBondContact CA-O 3.47Å
318H98.4Very high97.2Very high7 Ų745.4 Ų45.43%0.03223%0.23CC..EExtended strand (participates in β ladder)trans-69.2137170.6179.5-65.7000110.2F234 Y272 Y280 F320 L321 L324 L326F234-H318 AromaticContact CD2-CE1 3.86Å; Y272-H318 AromaticContact CE1-CD2 3.82Å; Y272-H318 AromaticContact CZ-NE2 3.9Å; Y272-H318 PolarHBondContact OH-CD2 3.2Å; Y272-H318 VanDerWaalsContact OH-CD2 3.3Å; Y272-H318 PolarHBondContact OH-CE1 2.88Å; Y272-H318 PolarHBondContact OH-NE2 3.46Å; Y280-H318 PolarHBondContact OH-O 2.95Å; H318-F320 PolarHBondContact ND1-N 2.9Å; H318-F320 PolarHBondContact O-N 3.42Å; H318-L321 HydrophobicContact CB-CB 4.16Å; H318-L321 WeakPolarHBondContact CB-O 3.45Å; H318-L321 PolarHBondContact ND1-N 3.37Å; H318-L321 CarbonylContact O-C 3.4Å; H318-L321 VanDerWaalsContact O-C 3.24Å; H318-L321 PolarHBondContact O-N 3.15Å; H318-L324 HydrophobicContact CB-CB 4.05Å; H318-L324 HydrophobicContact CB-CD2 4.17Å; H318-L324 HydrophobicContact CB-CG 4.36Å; H318-L324 PolarHBondContact N-O 3.44Å; H318-L326 HydrophobicContact CB-CD2 3.92Å; H318-L326 HydrophobicContact CB-CG 4.28Å
319Y98.7Very high96.8Very high7 Ų748 Ų483%0.02726%0.259CS..THydrogen-bonded Turntrans-56-57-171.4-175.6-107.6000113.9W187 L241 S279 Y280 E283 L321W187-Y319 AromaticContact CD1-CE1 3.97Å; W187-Y319 AromaticContact NE1-CE1 3.46Å; W187-Y319 AromaticContact NE1-CZ 3.52Å; W187-Y319 PolarHBondContact NE1-OH 3.39Å; L241-Y319 HydrophobicContact CD2-CD1 4.01Å; L241-Y319 HydrophobicContact CD2-CE1 3.35Å; S279-Y319 VanDerWaalsContact CB-CD2 3.44Å; Y280-Y319 AromaticContact CD1-CD2 3.9Å; Y280-Y319 HydrophobicContact CD1-CD2 3.9Å; Y280-Y319 HydrophobicContact CD1-CE2 4.13Å; Y280-Y319 HydrophobicContact CD2-CD2 4.22Å; Y280-Y319 AromaticContact CE1-CD2 3.85Å; Y280-Y319 HydrophobicContact CE1-CD2 3.85Å; Y280-Y319 HydrophobicContact CE1-CE2 4.29Å; Y280-Y319 HydrophobicContact CE2-CD2 4.18Å; Y280-Y319 HydrophobicContact CG-CD2 4.09Å; Y280-Y319 AromaticContact CZ-CD2 4Å; Y280-Y319 WeakPolarHBondContact OH-CA 3.36Å; E283-Y319 HydrophobicContact CG-CE2 4.07Å; E283-Y319 VanDerWaalsContact OE1-CE2 3.23Å; E283-Y319 WeakPolarHBondContact OE1-CE2 3.23Å; E283-Y319 VanDerWaalsContact OE1-CZ 3.24Å; E283-Y319 PolarHBondContact OE1-OH 3.25Å; Y319-L321 VanDerWaalsContact C-N 3.35Å
320F98.6Very high96.5Very high0 Ų047.9 Ų47.90%025%0.253CS..THydrogen-bonded Turntrans-81.5-9.9178.4-65.5-61000114.7W180 A184 H186 W187 V203 F234 A237 E238 L241 H318W180-F320 HydrophobicContact CH2-CE1 4.37Å; W180-F320 HydrophobicContact CH2-CZ 4.35Å; W180-F320 AromaticContact CZ2-CD1 3.93Å; W180-F320 HydrophobicContact CZ2-CD1 3.93Å; W180-F320 HydrophobicContact CZ2-CE1 4.04Å; W180-F320 HydrophobicContact CZ2-CG 4.27Å; W180-F320 HydrophobicContact CZ2-CZ 4.47Å; A184-F320 WeakPolarHBondContact CA-O 3.35Å; A184-F320 HydrophobicContact CB-CB 4.16Å; A184-F320 WeakPolarHBondContact CB-O 3.36Å; H186-F320 PolarHBondContact CE1-O 2.95Å; H186-F320 VanDerWaalsContact CE1-O 3.28Å; W187-F320 HydrophobicContact CB-CD1 4.3Å; W187-F320 AromaticContact CD2-CD1 3.88Å; W187-F320 HydrophobicContact CD2-CD1 3.88Å; W187-F320 AromaticContact CD2-CE1 3.54Å; W187-F320 HydrophobicContact CD2-CE1 3.54Å; W187-F320 AromaticContact CE2-CE1 3.62Å; W187-F320 HydrophobicContact CE3-CD1 4.27Å; W187-F320 AromaticContact CE3-CE1 3.78Å; W187-F320 HydrophobicContact CE3-CE1 3.78Å; W187-F320 AromaticContact CG-CD1 3.85Å; W187-F320 HydrophobicContact CG-CD1 3.85Å; W187-F320 AromaticContact CG-CE1 3.98Å; W187-F320 HydrophobicContact CG-CE1 3.98Å; W187-F320 HydrophobicContact CH2-CE1 4.21Å; W187-F320 AromaticContact CZ2-CE1 3.97Å; W187-F320 HydrophobicContact CZ2-CE1 3.97Å; W187-F320 HydrophobicContact CZ3-CE1 4.1Å; V203-F320 HydrophobicContact CG1-CE1 4.44Å; V203-F320 HydrophobicContact CG1-CZ 3.98Å; F234-F320 HydrophobicContact CB-CD2 3.64Å; F234-F320 HydrophobicContact CB-CE2 3.75Å; F234-F320 HydrophobicContact CD1-CD2 4Å; F234-F320 HydrophobicContact CD1-CE2 4.41Å; F234-F320 HydrophobicContact CD2-CB 4.27Å; F234-F320 AromaticContact CD2-CD2 3.91Å; F234-F320 HydrophobicContact CD2-CD2 3.91Å; F234-F320 HydrophobicContact CE2-CB 4.13Å; F234-F320 AromaticContact CG-CD2 3.58Å; F234-F320 HydrophobicContact CG-CD2 3.58Å; F234-F320 HydrophobicContact CG-CE2 4.11Å; F234-F320 HydrophobicContact CG-CG 4.37Å; F234-F320 HydrophobicContact CZ-CB 4.29Å; A237-F320 HydrophobicContact CB-CE2 4.49Å; E238-F320 HydrophobicContact CG-CD2 4.26Å; E238-F320 HydrophobicContact CG-CE2 3.62Å; L241-F320 HydrophobicContact CD2-CE1 4.5Å; L241-F320 HydrophobicContact CD2-CZ 4.02Å; H318-F320 PolarHBondContact ND1-N 2.9Å; H318-F320 PolarHBondContact O-N 3.42Å
321L97.1Very high96.4Very high7 Ų750.5 Ų50.54%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-13770.4-168.7-63.6171.8000108.8S183 A184 L232 F234 H318 Y319 N323 L324S183-L321 WeakPolarHBondContact OG-CD2 3.3Å; A184-L321 HydrophobicContact CB-CD2 4.16Å; L232-L321 HydrophobicContact CB-CD1 4.09Å; L232-L321 HydrophobicContact CD1-CD1 4.18Å; L232-L321 HydrophobicContact CD1-CD2 4.19Å; F234-L321 HydrophobicContact CE2-CD1 3.75Å; F234-L321 HydrophobicContact CE2-CD2 4.46Å; F234-L321 HydrophobicContact CE2-CG 3.96Å; F234-L321 HydrophobicContact CZ-CG 4.46Å; H318-L321 HydrophobicContact CB-CB 4.16Å; H318-L321 WeakPolarHBondContact CB-O 3.45Å; H318-L321 PolarHBondContact ND1-N 3.37Å; H318-L321 CarbonylContact O-C 3.4Å; H318-L321 VanDerWaalsContact O-C 3.24Å; H318-L321 PolarHBondContact O-N 3.15Å; Y319-L321 VanDerWaalsContact C-N 3.35Å; L321-N323 PolarHBondContact O-N 3.14Å; L321-L324 HydrophobicContact CB-CB 4.31Å; L321-L324 WeakPolarHBondContact O-CB 3.34Å; L321-L324 PolarHBondContact O-N 3.27Å
322P94.9Very high96.3Very high47 Ų4755.4 Ų55.431%0.30529%0.292SS..EExtended strand (participates in β ladder)trans-63.9-15.4-167.326-35.7000114.4H186 L324H186-P322 WeakPolarHBondContact CE1-CD 3.44Å; H186-P322 WeakPolarHBondContact NE2-CD 3.27Å; P322-L324 VanDerWaalsContact C-N 3.32Å
323N91.8Very high96.3Very high141 Ų14154.3 Ų54.375%0.75430%0.297SS*.EExtended strand (participates in β ladder)trans-78-15174-66.5-18.5000113.3L321L321-N323 PolarHBondContact O-N 3.14Å
324L94.1Very high96.3Very high24 Ų2450.4 Ų50.413%0.12627%0.272CS..EExtended strand (participates in β ladder)trans-93.4122.3174.9-177.468000109.3P317 H318 L321 P322P317-L324 CarbonylContact C-O 3.52Å; P317-L324 WeakPolarHBondContact CA-O 3.47Å; H318-L324 HydrophobicContact CB-CB 4.05Å; H318-L324 HydrophobicContact CB-CD2 4.17Å; H318-L324 HydrophobicContact CB-CG 4.36Å; H318-L324 PolarHBondContact N-O 3.44Å; L321-L324 HydrophobicContact CB-CB 4.31Å; L321-L324 WeakPolarHBondContact O-CB 3.34Å; L321-L324 PolarHBondContact O-N 3.27Å; P322-L324 VanDerWaalsContact C-N 3.32Å
325D95.9Very high96.3Very high39 Ų3945 Ų4521%0.20925%0.251CS..EExtended strand (participates in β ladder)trans-96.7122.7174.4179.626.9000110.6C316 F327 Q328C316-D325 PolarHBondContact N-OD1 3.35Å; D325-F327 PolarHBondContact O-N 3.49Å; D325-F327 PolarHBondContact OD1-N 3.16Å; D325-Q328 HydrophobicContact CB-CB 4.5Å; D325-Q328 WeakPolarHBondContact O-CB 3.32Å; D325-Q328 PolarHBondContact O-N 3.14Å; D325-Q328 VanDerWaalsContact O-N 3.12Å
326L96.7Very high96.3Very high28 Ų2842.5 Ų42.515%0.14725%0.246CC..THydrogen-bonded Turntrans-72.2-17.3-177.9-57.4179.2000112.8Y272 H273 T276 C316 H318 Q328Y272-L326 HydrophobicContact CD1-CD1 4.01Å; Y272-L326 HydrophobicContact CD1-CD2 4.08Å; Y272-L326 HydrophobicContact CE1-CD1 4.02Å; Y272-L326 HydrophobicContact CE1-CD2 3.84Å; H273-L326 PolarHBondContact NE2-O 2.88Å; T276-L326 HydrophobicContact CG2-CD1 3.86Å; T276-L326 WeakPolarHBondContact OG1-CD1 3.47Å; C316-L326 HydrophobicContact CB-CB 4.34Å; C316-L326 VanDerWaalsContact O-CB 3.28Å; C316-L326 WeakPolarHBondContact O-CB 3.37Å; C316-L326 VanDerWaalsContact O-CG 3.3Å; C316-L326 WeakPolarHBondContact O-CG 3.29Å; C316-L326 PolarHBondContact O-N 3.21Å; H318-L326 HydrophobicContact CB-CD2 3.92Å; H318-L326 HydrophobicContact CB-CG 4.28Å; L326-Q328 VanDerWaalsContact C-N 3.33Å
327F97Very high96.3Very high5 Ų545.4 Ų45.42%0.02226%0.262CS..THydrogen-bonded Turntrans-89.12.2172.2-66.9-22.3000113.8L269 H273 C310 L311 C316 D325 G329 K330 L335L269-F327 HydrophobicContact CD2-CE1 4.08Å; L269-F327 HydrophobicContact CD2-CZ 4.2Å; H273-F327 AromaticContact CE1-CD1 3.95Å; H273-F327 AromaticContact CE1-CE1 3.69Å; H273-F327 AromaticContact ND1-CE1 3.8Å; H273-F327 AromaticContact NE2-CD1 3.93Å; H273-F327 AromaticContact NE2-CE1 3.91Å; C310-F327 HydrophobicContact CB-CE2 3.98Å; C310-F327 HydrophobicContact CB-CZ 4.46Å; L311-F327 HydrophobicContact CD2-CE1 4.19Å; L311-F327 HydrophobicContact CD2-CE2 3.8Å; L311-F327 HydrophobicContact CD2-CZ 3.5Å; L311-F327 HydrophobicContact CG-CE2 4.12Å; L311-F327 HydrophobicContact CG-CZ 3.93Å; C316-F327 HydrophobicContact CB-CD1 4.19Å; C316-F327 HydrophobicContact CB-CD2 3.76Å; C316-F327 HydrophobicContact CB-CE1 4.06Å; C316-F327 HydrophobicContact CB-CE2 3.62Å; C316-F327 HydrophobicContact CB-CG 4.05Å; C316-F327 HydrophobicContact CB-CZ 3.77Å; D325-F327 PolarHBondContact O-N 3.49Å; D325-F327 PolarHBondContact OD1-N 3.16Å; F327-G329 PolarHBondContact O-N 2.66Å; F327-K330 VanDerWaalsContact O-CB 3.28Å; F327-K330 WeakPolarHBondContact O-CB 3.49Å; F327-K330 WeakPolarHBondContact O-CG 3.42Å; F327-K330 PolarHBondContact O-N 3.05Å; F327-L335 HydrophobicContact CB-CD1 4.09Å; F327-L335 HydrophobicContact CB-CD2 4.26Å; F327-L335 HydrophobicContact CD1-CD2 3.98Å; F327-L335 HydrophobicContact CD2-CD1 4.26Å; F327-L335 HydrophobicContact CD2-CD2 4.13Å; F327-L335 HydrophobicContact CE1-CD2 4.34Å; F327-L335 HydrophobicContact CE2-CD2 4.48Å; F327-L335 HydrophobicContact CG-CD1 4.31Å; F327-L335 HydrophobicContact CG-CD2 3.88Å
328Q93.1Very high96.3Very high77 Ų7743.9 Ų43.936%0.3625%0.252SS..THydrogen-bonded Turntrans-56.4133.7176.8-173.6168.316.800111.6S217 D325 L326 K330S217-Q328 VanDerWaalsContact CA-OE1 3.29Å; S217-Q328 VanDerWaalsContact CB-OE1 3.26Å; D325-Q328 HydrophobicContact CB-CB 4.5Å; D325-Q328 WeakPolarHBondContact O-CB 3.32Å; D325-Q328 PolarHBondContact O-N 3.14Å; D325-Q328 VanDerWaalsContact O-N 3.12Å; L326-Q328 VanDerWaalsContact C-N 3.33Å; Q328-K330 PolarHBondContact O-N 2.78Å
329G90.2Very high96.3Very high64 Ų6443.7 Ų43.766%0.6625%0.251SS*.THydrogen-bonded Turntrans78.2-1.8-178.300000114.8F327F327-G329 PolarHBondContact O-N 2.66Å
330K93.9Very high96.3Very high45 Ų4550.3 Ų50.320%0.19628%0.28CS..  trans-85.2134.8174.8-57.3-62179172.20110.7Q267 F327 Q328 H332 L335Q267-K330 WeakPolarHBondContact O-CE 3.45Å; Q267-K330 PolarHBondContact O-NZ 3.3Å; F327-K330 VanDerWaalsContact O-CB 3.28Å; F327-K330 WeakPolarHBondContact O-CB 3.49Å; F327-K330 WeakPolarHBondContact O-CG 3.42Å; F327-K330 PolarHBondContact O-N 3.05Å; Q328-K330 PolarHBondContact O-N 2.78Å; K330-H332 PolarHBondContact O-N 3.34Å; K330-L335 HydrophobicContact CB-CD1 4.5Å; K330-L335 HydrophobicContact CB-CD2 3.92Å; K330-L335 HydrophobicContact CB-CG 4.26Å
331P95.3Very high96.3Very high65 Ų6553 Ų5342%0.42229%0.293SS..  trans-68.2134.6178.826.6-30.4000109.9S333 A334 L335P331-S333 PolarHBondContact O-N 2.79Å; P331-S333 VanDerWaalsContact O-N 3.14Å; P331-A334 HydrophobicContact CG-CB 3.76Å; P331-A334 WeakPolarHBondContact O-CB 3.2Å; P331-A334 PolarHBondContact O-N 3.31Å; P331-L335 PolarHBondContact O-N 3.16Å
332H97.2Very high96.4Very high105 Ų10552.6 Ų52.649%0.48629%0.291SS..Hα-helixtrans-56.9-33.1-177.8-65.9171.4000113R314 K330 A334 L335 E336R314-H332 PolarHBondContact NH1-ND1 3.06Å; R314-H332 VanDerWaalsContact NH1-ND1 3.17Å; K330-H332 PolarHBondContact O-N 3.34Å; H332-A334 VanDerWaalsContact C-N 3.32Å; H332-A334 PolarHBondContact O-N 3.41Å; H332-L335 PolarHBondContact O-N 3.39Å; H332-E336 PolarHBondContact O-N 2.73Å
333S97.8Very high96.6Very high91 Ų9156.5 Ų56.564%0.63630%0.299SS*.Hα-helixtrans-62.6-36.1175.353.60000112.9P331 N337P331-S333 PolarHBondContact O-N 2.79Å; P331-S333 VanDerWaalsContact O-N 3.14Å; S333-N337 WeakPolarHBondContact O-CB 3.48Å; S333-N337 PolarHBondContact O-N 2.92Å
334A98.1Very high96.9Very high9 Ų957 Ų577%0.07429%0.291CS..Hα-helixtrans-71.6-37.6175.100000111.7P268 P331 H332 N337 A338P268-A334 HydrophobicContact CB-CB 4.12Å; P268-A334 HydrophobicContact CG-CB 4.34Å; P331-A334 HydrophobicContact CG-CB 3.76Å; P331-A334 WeakPolarHBondContact O-CB 3.2Å; P331-A334 PolarHBondContact O-N 3.31Å; H332-A334 VanDerWaalsContact C-N 3.32Å; H332-A334 PolarHBondContact O-N 3.41Å; A334-N337 PolarHBondContact O-N 3.26Å; A334-A338 WeakPolarHBondContact O-CB 3.43Å; A334-A338 PolarHBondContact O-N 3.29Å
335L98.6Very high97.1Very high2 Ų256.2 Ų56.21%0.0129%0.287CS..Hα-helixtrans-64.1-43175.1-58.7179.6000111.4P268 L311 R314 F327 K330 P331 H332 A338 A339P268-L335 HydrophobicContact CB-CD2 4.01Å; L311-L335 HydrophobicContact CD2-CB 4.23Å; L311-L335 HydrophobicContact CD2-CD2 3.89Å; R314-L335 HydrophobicContact CB-CD1 4.08Å; R314-L335 HydrophobicContact CG-CD1 4.24Å; F327-L335 HydrophobicContact CB-CD1 4.09Å; F327-L335 HydrophobicContact CB-CD2 4.26Å; F327-L335 HydrophobicContact CD1-CD2 3.98Å; F327-L335 HydrophobicContact CD2-CD1 4.26Å; F327-L335 HydrophobicContact CD2-CD2 4.13Å; F327-L335 HydrophobicContact CE1-CD2 4.34Å; F327-L335 HydrophobicContact CE2-CD2 4.48Å; F327-L335 HydrophobicContact CG-CD1 4.31Å; F327-L335 HydrophobicContact CG-CD2 3.88Å; K330-L335 HydrophobicContact CB-CD1 4.5Å; K330-L335 HydrophobicContact CB-CD2 3.92Å; K330-L335 HydrophobicContact CB-CG 4.26Å; P331-L335 PolarHBondContact O-N 3.16Å; H332-L335 PolarHBondContact O-N 3.39Å; L335-A338 PolarHBondContact O-N 3.46Å; L335-A339 PolarHBondContact O-N 2.97Å
336E98.3Very high97.2Very high97 Ų9754.4 Ų54.445%0.45328%0.277SS..Hα-helixtrans-62.6-46176.2-17262.1-140.900111.8H332 A338 A339 K340H332-E336 PolarHBondContact O-N 2.73Å; E336-A338 VanDerWaalsContact C-N 3.32Å; E336-A338 PolarHBondContact O-N 3.39Å; E336-A339 WeakPolarHBondContact O-CB 3.5Å; E336-A339 PolarHBondContact O-N 3.35Å; E336-K340 PolarHBondContact O-N 3.32Å; E336-K340 VanDerWaalsContact O-N 3.08Å
337N98.5Very high97.3Very high61 Ų6159.7 Ų59.733%0.32630%0.295SS..Hα-helixtrans-60.8-42.8174.8-178.944.7000111.3S333 A334 A339 K340 Q341S333-N337 WeakPolarHBondContact O-CB 3.48Å; S333-N337 PolarHBondContact O-N 2.92Å; A334-N337 PolarHBondContact O-N 3.26Å; N337-A339 VanDerWaalsContact C-N 3.33Å; N337-A339 PolarHBondContact O-N 3.3Å; N337-K340 PolarHBondContact O-N 3.17Å; N337-Q341 WeakPolarHBondContact O-CG 3.49Å; N337-Q341 PolarHBondContact O-N 3.2Å
338A98.8Very high97.3Very high0 Ų063.3 Ų63.30%031%0.312CS..Hα-helixtrans-62.3-38.2175.700000112.5L264 P268 L269 L311 A334 L335 E336 K340 Q341 T342L264-A338 HydrophobicContact CD1-CB 3.78Å; P268-A338 HydrophobicContact CB-CB 4.06Å; P268-A338 HydrophobicContact CG-CB 3.74Å; L269-A338 HydrophobicContact CD1-CB 4.09Å; L269-A338 HydrophobicContact CG-CB 4.26Å; L311-A338 HydrophobicContact CD1-CB 4.01Å; L311-A338 HydrophobicContact CD2-CB 3.88Å; A334-A338 WeakPolarHBondContact O-CB 3.43Å; A334-A338 PolarHBondContact O-N 3.29Å; L335-A338 PolarHBondContact O-N 3.46Å; E336-A338 VanDerWaalsContact C-N 3.32Å; E336-A338 PolarHBondContact O-N 3.39Å; A338-K340 VanDerWaalsContact C-N 3.35Å; A338-K340 PolarHBondContact O-N 2.72Å; A338-Q341 PolarHBondContact O-N 3.38Å; A338-T342 VanDerWaalsContact O-CB 3.27Å; A338-T342 WeakPolarHBondContact O-CB 3.48Å; A338-T342 PolarHBondContact O-N 2.93Å; A338-T342 PolarHBondContact O-OG1 3.43Å
339A98.8Very high97.5Very high3 Ų359.8 Ų59.83%0.02530%0.296CS..Hα-helixtrans-60-47174.900000110.7L311 Q312 L335 E336 N337 T342 W343L311-A339 HydrophobicContact CB-CB 3.8Å; L311-A339 HydrophobicContact CD1-CB 4.44Å; Q312-A339 HydrophobicContact CG-CB 4Å; L335-A339 PolarHBondContact O-N 2.97Å; E336-A339 WeakPolarHBondContact O-CB 3.5Å; E336-A339 PolarHBondContact O-N 3.35Å; N337-A339 VanDerWaalsContact C-N 3.33Å; N337-A339 PolarHBondContact O-N 3.3Å; A339-T342 PolarHBondContact O-N 2.91Å; A339-W343 WeakPolarHBondContact O-CB 3.39Å; A339-W343 PolarHBondContact O-N 3.43Å
340K98.6Very high97.7Very high147 Ų14760.1 Ų60.164%0.63928%0.282SS*.Hα-helixtrans-60.5-46.2177.8-177179178.11790112.6E336 N337 A338 R344E336-K340 PolarHBondContact O-N 3.32Å; E336-K340 VanDerWaalsContact O-N 3.08Å; N337-K340 PolarHBondContact O-N 3.17Å; A338-K340 VanDerWaalsContact C-N 3.35Å; A338-K340 PolarHBondContact O-N 2.72Å; K340-R344 WeakPolarHBondContact O-CB 3.31Å; K340-R344 PolarHBondContact O-N 3.25Å
341Q98.8Very high97.8Very high55 Ų5563.4 Ų63.426%0.25731%0.306SS..Hα-helixtrans-68.3-40.9179.2-60.8-51.7-31.300111.8L262 L264 N337 A338 R344 L345L262-Q341 HydrophobicContact CD2-CB 4.02Å; L264-Q341 HydrophobicContact CD1-CB 4.21Å; L264-Q341 HydrophobicContact CD1-CG 4.1Å; L264-Q341 HydrophobicContact CD2-CG 4.06Å; N337-Q341 WeakPolarHBondContact O-CG 3.49Å; N337-Q341 PolarHBondContact O-N 3.2Å; A338-Q341 PolarHBondContact O-N 3.38Å; Q341-R344 PolarHBondContact O-N 2.99Å; Q341-L345 WeakPolarHBondContact O-CB 3.33Å; Q341-L345 PolarHBondContact O-N 2.77Å
342T98.8Very high97.9Very high0 Ų064 Ų640%031%0.306CS..Hα-helixtrans-64.1-42.8177.6-53.20000111L304 L307 I308 A338 A339 L345 A346L304-T342 HydrophobicContact CD2-CG2 4.35Å; L307-T342 HydrophobicContact CB-CG2 4.49Å; L307-T342 HydrophobicContact CD2-CG2 3.79Å; L307-T342 HydrophobicContact CG-CG2 4.17Å; I308-T342 HydrophobicContact CD1-CG2 4.03Å; I308-T342 HydrophobicContact CG1-CG2 3.54Å; A338-T342 VanDerWaalsContact O-CB 3.27Å; A338-T342 WeakPolarHBondContact O-CB 3.48Å; A338-T342 PolarHBondContact O-N 2.93Å; A338-T342 PolarHBondContact O-OG1 3.43Å; A339-T342 PolarHBondContact O-N 2.91Å; T342-L345 PolarHBondContact O-N 3.24Å; T342-A346 VanDerWaalsContact O-CB 3.3Å; T342-A346 WeakPolarHBondContact O-CB 3.49Å; T342-A346 PolarHBondContact O-N 3.47Å
343W98.6Very high97.8Very high128 Ų12859.6 Ų59.649%0.48529%0.287SS..Hα-helixtrans-62.1-44.9173.9174.2-103.1000112.5L305 I308 A339 L345 A346 R347L305-W343 HydrophobicContact CD2-CZ3 4.07Å; I308-W343 HydrophobicContact CD1-CB 3.99Å; I308-W343 HydrophobicContact CD1-CE3 3.96Å; I308-W343 HydrophobicContact CG1-CB 4.5Å; A339-W343 WeakPolarHBondContact O-CB 3.39Å; A339-W343 PolarHBondContact O-N 3.43Å; W343-L345 VanDerWaalsContact C-N 3.33Å; W343-L345 PolarHBondContact O-N 2.92Å; W343-A346 PolarHBondContact O-N 3.3Å; W343-R347 WeakPolarHBondContact O-CB 3.41Å; W343-R347 PolarHBondContact O-N 3.46Å
344R98.5Very high97.8Very high151 Ų15160.6 Ų60.657%0.5728%0.279SS*.Hα-helixtrans-57.3-47.8176.4179.7-177.1172.5171.20.7111.1K340 Q341 E348K340-R344 WeakPolarHBondContact O-CB 3.31Å; K340-R344 PolarHBondContact O-N 3.25Å; Q341-R344 PolarHBondContact O-N 2.99Å; R344-E348 WeakPolarHBondContact O-CB 3.21Å; R344-E348 PolarHBondContact O-N 3.24Å
345L98.4Very high97.7Very high9 Ų960.6 Ų60.65%0.04728%0.279CS..Hα-helixtrans-63.8-50179.6-178.764000111.7L257 H261 L262 Q341 T342 W343 R347 E348 I349 L359L257-L345 HydrophobicContact CB-CD2 4.22Å; L257-L345 HydrophobicContact CD2-CD1 4.42Å; L257-L345 HydrophobicContact CD2-CD2 4.34Å; H261-L345 HydrophobicContact CB-CD1 4.43Å; H261-L345 HydrophobicContact CB-CD2 3.99Å; L262-L345 HydrophobicContact CD1-CD2 4.36Å; L262-L345 HydrophobicContact CD2-CD2 4.4Å; L262-L345 HydrophobicContact CG-CD2 4.32Å; Q341-L345 WeakPolarHBondContact O-CB 3.33Å; Q341-L345 PolarHBondContact O-N 2.77Å; T342-L345 PolarHBondContact O-N 3.24Å; W343-L345 VanDerWaalsContact C-N 3.33Å; W343-L345 PolarHBondContact O-N 2.92Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 3.49Å; L345-E348 PolarHBondContact O-N 3.34Å; L345-I349 HydrophobicContact CD1-CD1 4.13Å; L345-I349 HydrophobicContact CG-CD1 3.99Å; L345-I349 WeakPolarHBondContact O-CG1 3.41Å; L345-I349 PolarHBondContact O-N 2.84Å; L345-L359 HydrophobicContact CD1-CD1 3.73Å; L345-L359 HydrophobicContact CD1-CD2 3.79Å; L345-L359 HydrophobicContact CD1-CG 4.39Å
346A98.2Very high97.7Very high1 Ų160.6 Ų60.61%0.00828%0.279CS..Hα-helixtrans-60-45178.900000111.3L304 I308 T342 W343 E348 I349 L350L304-A346 HydrophobicContact CB-CB 4.06Å; L304-A346 HydrophobicContact CD1-CB 4.08Å; I308-A346 HydrophobicContact CD1-CB 4.22Å; T342-A346 VanDerWaalsContact O-CB 3.3Å; T342-A346 WeakPolarHBondContact O-CB 3.49Å; T342-A346 PolarHBondContact O-N 3.47Å; W343-A346 PolarHBondContact O-N 3.3Å; A346-E348 VanDerWaalsContact C-N 3.33Å; A346-E348 PolarHBondContact O-N 3.49Å; A346-I349 PolarHBondContact O-N 2.89Å; A346-L350 WeakPolarHBondContact O-CB 3.23Å; A346-L350 VanDerWaalsContact O-CG 3.24Å; A346-L350 WeakPolarHBondContact O-CG 3.38Å; A346-L350 PolarHBondContact O-N 2.88Å
347R97.9Very high97.6Very high138 Ų13858.9 Ų58.952%0.52127%0.271SS..Hα-helixtrans-60.1-42.3176.9-172.8-179.569.1176.72.4111.7W343 L345 T351W343-R347 WeakPolarHBondContact O-CB 3.41Å; W343-R347 PolarHBondContact O-N 3.46Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 3.49Å; R347-T351 WeakPolarHBondContact O-CB 3.48Å; R347-T351 PolarHBondContact O-N 3.22Å; R347-T351 PolarHBondContact O-OG1 3.08Å
348E97.8Very high97.3Very high82 Ų8265 Ų6538%0.38330%0.295SS..Hα-helixtrans-64.9-43.6178.2-175.6171.1-179.900112.3R344 L345 A346 N352 S355R344-E348 WeakPolarHBondContact O-CB 3.21Å; R344-E348 PolarHBondContact O-N 3.24Å; L345-E348 PolarHBondContact O-N 3.34Å; A346-E348 VanDerWaalsContact C-N 3.33Å; A346-E348 PolarHBondContact O-N 3.49Å; E348-N352 CarbonylContact O-C 3.58Å; E348-N352 PolarHBondContact O-N 3.36Å; E348-S355 PolarHBondContact O-OG 3.01Å
349I97.1Very high97.1Very high3 Ų365.9 Ų65.92%0.01530%0.299CS..Hα-helixtrans-62.4-44.6177-67.3168.2000110.9L8 L257 L304 L345 A346 N352 P353 L356 L359L8-I349 HydrophobicContact CD1-CG2 3.84Å; L257-I349 HydrophobicContact CD1-CD1 3.91Å; L257-I349 HydrophobicContact CD2-CD1 4.15Å; L304-I349 HydrophobicContact CD1-CD1 4.36Å; L345-I349 HydrophobicContact CD1-CD1 4.13Å; L345-I349 HydrophobicContact CG-CD1 3.99Å; L345-I349 WeakPolarHBondContact O-CG1 3.41Å; L345-I349 PolarHBondContact O-N 2.84Å; A346-I349 PolarHBondContact O-N 2.89Å; I349-N352 CarbonylContact O-C 3.24Å; I349-P353 VanDerWaalsContact O-CA 3.3Å; I349-P353 WeakPolarHBondContact O-CA 3.41Å; I349-L356 HydrophobicContact CD1-CD2 4.11Å; I349-L356 HydrophobicContact CG1-CD2 4Å; I349-L356 HydrophobicContact CG1-CG 4.38Å; I349-L356 HydrophobicContact CG2-CD1 4.29Å; I349-L356 HydrophobicContact CG2-CD2 4.47Å; I349-L356 HydrophobicContact CG2-CG 4.44Å; I349-L359 HydrophobicContact CD1-CD1 4.2Å; I349-L359 HydrophobicContact CG1-CD1 3.75Å
350L94.6Very high97Very high71 Ų7169 Ų6937%0.37231%0.313SS..Hα-helixtrans-72.9-40-177.7-67168.8000113L8 N301 A346L8-L350 HydrophobicContact CD2-CD2 4.3Å; N301-L350 HydrophobicContact CB-CD2 3.95Å; N301-L350 VanDerWaalsContact CG-CD2 3.49Å; N301-L350 WeakPolarHBondContact OD1-CD1 3.49Å; A346-L350 WeakPolarHBondContact O-CB 3.23Å; A346-L350 VanDerWaalsContact O-CG 3.24Å; A346-L350 WeakPolarHBondContact O-CG 3.38Å; A346-L350 PolarHBondContact O-N 2.88Å
351T95.8Very high96.9Very high114 Ų11464.9 Ų64.970%0.69930%0.295SS*.Hα-helixtrans-71.7-38.1-177.7-53.80000110.9R347R347-T351 WeakPolarHBondContact O-CB 3.48Å; R347-T351 PolarHBondContact O-N 3.22Å; R347-T351 PolarHBondContact O-OG1 3.08Å
352N96Very high96.8Very high78 Ų7865.4 Ų65.442%0.41730%0.298SS..  trans-145.392.7178.5179.516.8000110.6E348 I349 K354 S355E348-N352 CarbonylContact O-C 3.58Å; E348-N352 PolarHBondContact O-N 3.36Å; I349-N352 CarbonylContact O-C 3.24Å; N352-K354 PolarHBondContact O-N 3.39Å; N352-K354 WeakPolarHBondContact OD1-CB 3.27Å; N352-K354 PolarHBondContact OD1-N 3.01Å; N352-S355 VanDerWaalsContact O-CB 3.24Å; N352-S355 WeakPolarHBondContact O-CB 3.38Å; N352-S355 PolarHBondContact O-N 2.99Å; N352-S355 PolarHBondContact O-OG 3.21Å
353P96.3Very high96.7Very high12 Ų1269.3 Ų69.38%0.07832%0.315CS..G310 helixtrans-58.9-19.5-178.9-27.434.5000115.1L8 H11 I349 S355 L356L8-P353 HydrophobicContact CB-CB 4.26Å; L8-P353 HydrophobicContact CB-CG 3.9Å; L8-P353 HydrophobicContact CD1-CB 3.87Å; L8-P353 HydrophobicContact CD1-CG 3.95Å; H11-P353 HydrophobicContact CB-CB 4.14Å; H11-P353 VanDerWaalsContact CB-O 3.28Å; H11-P353 WeakPolarHBondContact CB-O 3.48Å; I349-P353 VanDerWaalsContact O-CA 3.3Å; I349-P353 WeakPolarHBondContact O-CA 3.41Å; P353-S355 PolarHBondContact O-N 3.27Å; P353-L356 WeakPolarHBondContact O-CB 3.27Å; P353-L356 WeakPolarHBondContact O-CD1 3.18Å; P353-L356 PolarHBondContact O-N 2.61Å
354K97.3Very high96.6Very high112 Ų11265.6 Ų65.649%0.48730%0.304SS..G310 helixtrans-66.1-19.8174.4-170172.9-179.6177.60112.6N352 L356 E357N352-K354 PolarHBondContact O-N 3.39Å; N352-K354 WeakPolarHBondContact OD1-CB 3.27Å; N352-K354 PolarHBondContact OD1-N 3.01Å; K354-L356 PolarHBondContact O-N 3.04Å; K354-L356 VanDerWaalsContact O-N 3.17Å; K354-E357 VanDerWaalsContact CE-OE2 3.22Å; K354-E357 WeakPolarHBondContact CE-OE2 3.4Å; K354-E357 HydrophobicContact CG-CG 4.43Å; K354-E357 WeakPolarHBondContact O-CB 3.46Å; K354-E357 WeakPolarHBondContact O-CG 3.29Å; K354-E357 PolarHBondContact O-N 3.09Å; K354-E357 VanDerWaalsContact O-N 3.08Å
355S97.3Very high96.4Very high9 Ų959.9 Ų59.96%0.06329%0.287CS..G310 helixtrans-54.4-31.417461.20000112.5E348 N352 P353 E357 K358 L359E348-S355 PolarHBondContact O-OG 3.01Å; N352-S355 VanDerWaalsContact O-CB 3.24Å; N352-S355 WeakPolarHBondContact O-CB 3.38Å; N352-S355 PolarHBondContact O-N 2.99Å; N352-S355 PolarHBondContact O-OG 3.21Å; P353-S355 PolarHBondContact O-N 3.27Å; S355-E357 PolarHBondContact O-N 3Å; S355-K358 PolarHBondContact O-N 3.34Å; S355-L359 PolarHBondContact O-N 3.22Å; S355-L359 VanDerWaalsContact O-N 3.16Å
356L97.3Very high96.3Very high2 Ų263.6 Ų63.61%0.0130%0.304CS..G310 helixtrans-53.7-26.6176-72.5164.3000113.6H11 L12 Y15 L257 I349 P353 K354 K358 L359H11-L356 HydrophobicContact CB-CD1 3.96Å; L12-L356 HydrophobicContact CD2-CD1 3.51Å; L12-L356 HydrophobicContact CD2-CD2 4.23Å; L12-L356 HydrophobicContact CG-CD1 3.89Å; Y15-L356 HydrophobicContact CD2-CB 4.12Å; Y15-L356 HydrophobicContact CD2-CD2 4Å; Y15-L356 VanDerWaalsContact CD2-O 3.26Å; Y15-L356 WeakPolarHBondContact CD2-O 3.46Å; Y15-L356 HydrophobicContact CE2-CD2 4.4Å; Y15-L356 HydrophobicContact CG-CD2 4.12Å; L257-L356 HydrophobicContact CD2-CD2 4.44Å; I349-L356 HydrophobicContact CD1-CD2 4.11Å; I349-L356 HydrophobicContact CG1-CD2 4Å; I349-L356 HydrophobicContact CG1-CG 4.38Å; I349-L356 HydrophobicContact CG2-CD1 4.29Å; I349-L356 HydrophobicContact CG2-CD2 4.47Å; I349-L356 HydrophobicContact CG2-CG 4.44Å; P353-L356 WeakPolarHBondContact O-CB 3.27Å; P353-L356 WeakPolarHBondContact O-CD1 3.18Å; P353-L356 PolarHBondContact O-N 2.61Å; K354-L356 PolarHBondContact O-N 3.04Å; K354-L356 VanDerWaalsContact O-N 3.17Å; L356-K358 PolarHBondContact O-N 3.05Å; L356-L359 HydrophobicContact CD2-CD1 4.09Å; L356-L359 PolarHBondContact O-N 2.98Å
357E95.8Very high96.2Very high60 Ų6068.4 Ų68.428%0.2833%0.327SS..G310 helixtrans-65.2-29176.8-61.9-177.6159.500112.5H11 K14 K354 S355H11-E357 IonicContact CE1-OE1 2.77Å; H11-E357 IonicContact ND1-OE1 2.79Å; K14-E357 IonicContact NZ-OE1 3.47Å; K14-E357 PolarHBondContact NZ-OE1 2.78Å; K354-E357 VanDerWaalsContact CE-OE2 3.22Å; K354-E357 WeakPolarHBondContact CE-OE2 3.4Å; K354-E357 HydrophobicContact CG-CG 4.43Å; K354-E357 WeakPolarHBondContact O-CB 3.46Å; K354-E357 WeakPolarHBondContact O-CG 3.29Å; K354-E357 PolarHBondContact O-N 3.09Å; K354-E357 VanDerWaalsContact O-N 3.08Å; S355-E357 PolarHBondContact O-N 3Å
358K93.6Very high96Very high191 Ų19162.6 Ų62.683%0.8331%0.31SS*.THydrogen-bonded Turntrans-99.5-17.9-179-62.9-174.2178.2-176.10113.4S355 L356S355-K358 PolarHBondContact O-N 3.34Å; L356-K358 PolarHBondContact O-N 3.05Å
359L93.5Very high95.9Very high17 Ų1760.8 Ų60.89%0.08930%0.304CS..  trans-67.40177.3-70.3174.7000111Y15 R260 H261 L345 I349 S355 L356Y15-L359 HydrophobicContact CE2-CB 4.26Å; R260-L359 PolarHBondContact NE-O 3.24Å; R260-L359 PolarHBondContact NE-OXT 2.94Å; R260-L359 PolarHBondContact NH2-O 3.48Å; R260-L359 PolarHBondContact NH2-OXT 3.1Å; H261-L359 PolarHBondContact CE1-OXT 2.92Å; H261-L359 WeakPolarHBondContact NE2-CB 3.38Å; H261-L359 PolarHBondContact NE2-OXT 3.33Å; L345-L359 HydrophobicContact CD1-CD1 3.73Å; L345-L359 HydrophobicContact CD1-CD2 3.79Å; L345-L359 HydrophobicContact CD1-CG 4.39Å; I349-L359 HydrophobicContact CD1-CD1 4.2Å; I349-L359 HydrophobicContact CG1-CD1 3.75Å; S355-L359 PolarHBondContact O-N 3.22Å; S355-L359 VanDerWaalsContact O-N 3.16Å; L356-L359 HydrophobicContact CD2-CD1 4.09Å; L356-L359 PolarHBondContact O-N 2.98Å

Retrieved 359 of 359 residues in 322.5 ms (Link to these results)

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