A0A061IM58_CRIGR Loading...

Putative nucleotidyltransferase MAB21L1

AlphaFold DB (O70299), UniProt , Accession A0A061IM58, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mab21l1, 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
1M60.8Low86.6Confident200 Ų20082.7 Ų82.799%0.98546%0.456SS*.  0-52.60-73.1-171.2-80.700112.3A3 A4 Q5M1-A3 PolarHBondContact O-N 3.07Å; M1-A4 PolarHBondContact O-N 2.89Å; M1-Q5 PolarHBondContact O-N 3.34Å; M1-Q5 VanDerWaalsContact O-N 3.1Å
2I74.8Confident87.6Confident141 Ų14175.8 Ų75.872%0.72342%0.418SS*.Hα-helixtrans-51.2-47.3-178.6-59.5172.8000113.4A4 Q5 A6I2-A4 VanDerWaalsContact C-N 3.34Å; I2-A4 PolarHBondContact O-N 3.37Å; I2-Q5 PolarHBondContact O-N 3.24Å; I2-A6 WeakPolarHBondContact O-CB 3.38Å; I2-A6 PolarHBondContact O-N 2.95Å
3A81.3Confident88.4Confident83 Ų8373.5 Ų73.569%0.68640%0.404SS*.Hα-helixtrans-63.6-35.6-179.800000113.7M1 K7M1-A3 PolarHBondContact O-N 3.07Å; A3-K7 WeakPolarHBondContact O-CB 3.38Å; A3-K7 PolarHBondContact O-N 3.24Å; A3-K7 VanDerWaalsContact O-N 3.07Å
4A82.8Confident89.1Confident67 Ų6772.4 Ų72.455%0.55439%0.393SS*.Hα-helixtrans-71.8-41.7178.200000111.2M1 I2 K7 L8M1-A4 PolarHBondContact O-N 2.89Å; I2-A4 VanDerWaalsContact C-N 3.34Å; I2-A4 PolarHBondContact O-N 3.37Å; A4-K7 PolarHBondContact O-N 3.31Å; A4-L8 PolarHBondContact O-N 3.24Å
5Q84.7Confident89.7Confident72 Ų7267.7 Ų67.734%0.33637%0.368SS..Hα-helixtrans-63.3-46.7174.5-74.6174-43.400111.4M1 I2 K7 L8 V9 D298M1-Q5 PolarHBondContact O-N 3.34Å; M1-Q5 VanDerWaalsContact O-N 3.1Å; I2-Q5 PolarHBondContact O-N 3.24Å; Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 2.97Å; Q5-L8 PolarHBondContact O-N 3.23Å; Q5-L8 VanDerWaalsContact O-N 3.13Å; Q5-V9 WeakPolarHBondContact O-CG2 3.25Å; Q5-V9 PolarHBondContact O-N 3.34Å; Q5-D298 PolarHBondContact NE2-OD1 3.1Å; Q5-D298 PolarHBondContact NE2-OD2 3.42Å
6A89.8Confident90.2Very high60 Ų6065.9 Ų65.950%0.49635%0.354SS..Hα-helixtrans-58.3-42176.400000112I2 V9 Y10I2-A6 WeakPolarHBondContact O-CB 3.38Å; I2-A6 PolarHBondContact O-N 2.95Å; A6-V9 PolarHBondContact O-N 2.76Å; A6-Y10 WeakPolarHBondContact O-CB 3.34Å; A6-Y10 PolarHBondContact O-N 2.96Å
7K93.2Very high90.7Very high100 Ų10068.2 Ų68.244%0.43537%0.366SS..Hα-helixtrans-63.7-42.6175.2-172.3-178.7-180-1770112.2A3 A4 Q5 Y10 H11A3-K7 WeakPolarHBondContact O-CB 3.38Å; A3-K7 PolarHBondContact O-N 3.24Å; A3-K7 VanDerWaalsContact O-N 3.07Å; A4-K7 PolarHBondContact O-N 3.31Å; Q5-K7 VanDerWaalsContact C-N 3.3Å; Q5-K7 PolarHBondContact O-N 2.97Å; K7-Y10 WeakPolarHBondContact O-CB 3.34Å; K7-Y10 PolarHBondContact O-N 3.38Å; K7-H11 PolarHBondContact O-CD2 3.25Å; K7-H11 PolarHBondContact O-N 3.06Å
8L95.3Very high91.1Very high13 Ų1369.5 Ų69.57%0.06837%0.37CS..Hα-helixtrans-63.6-47.4176.8176.658.4000111.5A4 Q5 Y10 H11 L12 I349 P353 L356A4-L8 PolarHBondContact O-N 3.24Å; Q5-L8 PolarHBondContact O-N 3.23Å; Q5-L8 VanDerWaalsContact O-N 3.13Å; L8-Y10 VanDerWaalsContact C-N 3.29Å; L8-Y10 PolarHBondContact O-N 2.68Å; L8-H11 PolarHBondContact O-N 2.84Å; L8-H11 VanDerWaalsContact O-N 3.17Å; L8-L12 HydrophobicContact CD1-CD1 3.96Å; L8-L12 HydrophobicContact CD1-CG 4.01Å; L8-L12 HydrophobicContact CG-CD1 3.82Å; L8-L12 HydrophobicContact CG-CG 4.33Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3Å; L8-I349 HydrophobicContact CD1-CG2 3.84Å; L8-P353 HydrophobicContact CB-CB 4.43Å; L8-P353 HydrophobicContact CB-CG 4.21Å; L8-P353 HydrophobicContact CD1-CB 4Å; L8-P353 HydrophobicContact CD1-CG 4.16Å; L8-L356 HydrophobicContact CD1-CD1 4.33Å
9V96Very high91.5Very high19 Ų1969 Ų6912%0.11536%0.364CS..Hα-helixtrans-58.5-41.7177171.60000111.1Q5 A6 H11 L12 N13 S294Q5-V9 WeakPolarHBondContact O-CG2 3.25Å; Q5-V9 PolarHBondContact O-N 3.34Å; A6-V9 PolarHBondContact O-N 2.76Å; V9-H11 PolarHBondContact O-N 2.86Å; V9-L12 PolarHBondContact O-N 3.39Å; V9-N13 WeakPolarHBondContact O-CB 3.46Å; V9-N13 PolarHBondContact O-N 3.11Å; V9-N13 PolarHBondContact O-ND2 3.2Å; V9-S294 WeakPolarHBondContact CG2-O 3.48Å
10Y96.6Very high91.8Very high145 Ų14565.6 Ų65.657%0.56935%0.346SS*.Hα-helixtrans-56.3-51.1173.9172.5-95.1000112.4A6 K7 L8 L12 N13 K14A6-Y10 WeakPolarHBondContact O-CB 3.34Å; A6-Y10 PolarHBondContact O-N 2.96Å; K7-Y10 WeakPolarHBondContact O-CB 3.34Å; K7-Y10 PolarHBondContact O-N 3.38Å; L8-Y10 VanDerWaalsContact C-N 3.29Å; L8-Y10 PolarHBondContact O-N 2.68Å; Y10-L12 PolarHBondContact O-N 3.36Å; Y10-N13 PolarHBondContact O-N 3.44Å; Y10-K14 PolarHBondContact O-N 2.98Å
11H97.6Very high92.1Very high10 Ų1066.2 Ų66.25%0.04635%0.347CS..Hα-helixtrans-68-33.8179.9-74.8-68.6000112.9K7 L8 V9 K14 Y15 P353 K354 L356 E357K7-H11 PolarHBondContact O-CD2 3.25Å; K7-H11 PolarHBondContact O-N 3.06Å; L8-H11 PolarHBondContact O-N 2.84Å; L8-H11 VanDerWaalsContact O-N 3.17Å; V9-H11 PolarHBondContact O-N 2.86Å; H11-K14 PolarHBondContact O-N 2.88Å; H11-Y15 WeakPolarHBondContact O-CB 3.22Å; H11-Y15 PolarHBondContact O-N 3.48Å; H11-P353 HydrophobicContact CB-CB 4.3Å; H11-P353 WeakPolarHBondContact CB-O 3.44Å; H11-K354 WeakPolarHBondContact NE2-CG 3.42Å; H11-L356 HydrophobicContact CB-CD1 3.83Å; H11-E357 IonicContact CE1-OE1 3.69Å; H11-E357 IonicContact ND1-OE1 2.68Å
12L98Very high93.9Very high0 Ų059.6 Ų59.60%032%0.324CS..Hα-helixtrans-66.3-38.9173.5-72.3171.8000112.1L8 V9 Y10 Y15 Y16 I253 L296 L300 L356L8-L12 HydrophobicContact CD1-CD1 3.96Å; L8-L12 HydrophobicContact CD1-CG 4.01Å; L8-L12 HydrophobicContact CG-CD1 3.82Å; L8-L12 HydrophobicContact CG-CG 4.33Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3Å; V9-L12 PolarHBondContact O-N 3.39Å; Y10-L12 PolarHBondContact O-N 3.36Å; L12-Y15 PolarHBondContact O-N 3.13Å; L12-Y16 WeakPolarHBondContact O-CB 3.26Å; L12-Y16 PolarHBondContact O-N 3.34Å; L12-I253 HydrophobicContact CB-CD1 4.33Å; L12-I253 HydrophobicContact CD2-CD1 4.26Å; L12-I253 HydrophobicContact CD2-CG2 4.32Å; L12-L296 HydrophobicContact CB-CD2 4.14Å; L12-L296 HydrophobicContact CD1-CG 4.23Å; L12-L300 HydrophobicContact CD1-CD2 4.24Å; L12-L300 HydrophobicContact CD2-CD2 3.47Å; L12-L300 VanDerWaalsContact CD2-CD2 3.47Å; L12-L356 HydrophobicContact CD2-CD1 3.56Å; L12-L356 HydrophobicContact CD2-CD2 4.2Å; L12-L356 HydrophobicContact CG-CD1 3.89Å
13N97.9Very high95Very high45 Ų4554.7 Ų54.724%0.24130%0.297CS..Hα-helixtrans-64.1-44.1174.8-73.7-26.3000111.5V9 Y10 Y16 N17 K249V9-N13 WeakPolarHBondContact O-CB 3.46Å; V9-N13 PolarHBondContact O-N 3.11Å; V9-N13 PolarHBondContact O-ND2 3.2Å; Y10-N13 PolarHBondContact O-N 3.44Å; N13-Y16 PolarHBondContact O-N 3.23Å; N13-N17 WeakPolarHBondContact O-CB 3.46Å; N13-N17 VanDerWaalsContact O-CG 3.31Å; N13-N17 PolarHBondContact O-N 3.49Å; N13-N17 PolarHBondContact O-ND2 2.78Å; N13-K249 VanDerWaalsContact OD1-CE 3.22Å; N13-K249 WeakPolarHBondContact OD1-CE 3.36Å; N13-K249 PolarHBondContact OD1-NZ 3.43Å
14K98.1Very high95.7Very high58 Ų5854.5 Ų54.525%0.25228%0.28SS..Hα-helixtrans-60.4-49.5173.6-174.2177.2174.6-176.50111.4Y10 H11 Y16 N17 E18 E357Y10-K14 PolarHBondContact O-N 2.98Å; H11-K14 PolarHBondContact O-N 2.88Å; K14-Y16 VanDerWaalsContact C-N 3.29Å; K14-Y16 PolarHBondContact O-N 3.29Å; K14-N17 PolarHBondContact O-N 3.34Å; K14-E18 WeakPolarHBondContact CE-OE1 3.5Å; K14-E18 HydrophobicContact CG-CG 4.44Å; K14-E18 WeakPolarHBondContact CG-OE1 3.5Å; K14-E18 WeakPolarHBondContact O-CB 3.36Å; K14-E18 PolarHBondContact O-N 3.17Å; K14-E357 IonicContact NZ-OE1 3.57Å; K14-E357 PolarHBondContact NZ-OE1 2.63Å
15Y98.5Very high96.4Very high3 Ų354.4 Ų54.41%0.01228%0.279CS..Hα-helixtrans-56.4-42.9176.1-174.4-93.4000112.5H11 L12 K19 C20 I253 T256 L257 L356 L359H11-Y15 WeakPolarHBondContact O-CB 3.22Å; H11-Y15 PolarHBondContact O-N 3.48Å; L12-Y15 PolarHBondContact O-N 3.13Å; Y15-K19 HydrophobicContact CD1-CB 4.4Å; Y15-K19 HydrophobicContact CD2-CB 4.16Å; Y15-K19 HydrophobicContact CD2-CG 3.64Å; Y15-K19 HydrophobicContact CE1-CB 4.16Å; Y15-K19 HydrophobicContact CE2-CB 3.95Å; Y15-K19 HydrophobicContact CE2-CG 3.59Å; Y15-K19 HydrophobicContact CG-CB 4.4Å; Y15-K19 HydrophobicContact CG-CG 4.24Å; Y15-K19 WeakPolarHBondContact O-CA 3.19Å; Y15-K19 WeakPolarHBondContact O-CB 3.38Å; Y15-K19 PolarHBondContact O-N 3.28Å; Y15-C20 PolarHBondContact O-N 3.38Å; Y15-I253 HydrophobicContact CD1-CG1 4.37Å; Y15-I253 HydrophobicContact CD1-CG2 4.14Å; Y15-I253 HydrophobicContact CE1-CG2 4.2Å; Y15-T256 HydrophobicContact CE1-CG2 3.91Å; Y15-T256 WeakPolarHBondContact OH-CG2 3.3Å; Y15-L257 HydrophobicContact CE1-CD2 4.31Å; Y15-L257 HydrophobicContact CE1-CG 4.33Å; Y15-L257 HydrophobicContact CE2-CD2 4.42Å; Y15-L257 WeakPolarHBondContact OH-CD2 3.26Å; Y15-L356 HydrophobicContact CD2-CB 4.11Å; Y15-L356 HydrophobicContact CD2-CD2 3.95Å; Y15-L356 WeakPolarHBondContact CD2-O 3.4Å; Y15-L356 HydrophobicContact CE2-CD2 4.34Å; Y15-L356 HydrophobicContact CG-CD2 4.08Å; Y15-L359 HydrophobicContact CE2-CB 4.27Å; Y15-L359 WeakPolarHBondContact CE2-O 3.41Å
16Y98.5Very high97Very high39 Ų3953.7 Ų53.715%0.15329%0.286CS..Iπ-helixtrans-61.7-50176.7179.1-100.9000111.5L12 N13 K14 E18 C20 Q21 K24 K249 I253L12-Y16 WeakPolarHBondContact O-CB 3.26Å; L12-Y16 PolarHBondContact O-N 3.34Å; N13-Y16 PolarHBondContact O-N 3.23Å; K14-Y16 VanDerWaalsContact C-N 3.29Å; K14-Y16 PolarHBondContact O-N 3.29Å; Y16-E18 VanDerWaalsContact C-N 3.35Å; Y16-E18 PolarHBondContact O-N 3.47Å; Y16-C20 HydrophobicContact CD2-CB 3.66Å; Y16-C20 HydrophobicContact CE2-CB 4.13Å; Y16-C20 HydrophobicContact CG-CB 4.3Å; Y16-C20 WeakPolarHBondContact O-CA 3.41Å; Y16-C20 WeakPolarHBondContact O-CB 3.41Å; Y16-C20 PolarHBondContact O-N 3.02Å; Y16-Q21 VanDerWaalsContact CE1-NE2 3.28Å; Y16-Q21 PolarHBondContact O-N 2.88Å; Y16-Q21 PolarHBondContact OH-NE2 3.26Å; Y16-K24 PolarHBondContact OH-NZ 3.34Å; Y16-K249 HydrophobicContact CD1-CD 4.41Å; Y16-K249 HydrophobicContact CD1-CG 4.26Å; Y16-K249 HydrophobicContact CD2-CG 3.63Å; Y16-K249 HydrophobicContact CE1-CG 4.33Å; Y16-K249 HydrophobicContact CE2-CB 4.34Å; Y16-K249 HydrophobicContact CE2-CG 3.74Å; Y16-K249 HydrophobicContact CG-CD 4.42Å; Y16-K249 HydrophobicContact CG-CG 3.91Å; Y16-I253 HydrophobicContact CD2-CG1 4.23Å
17N98.2Very high97.3Very high104 Ų10451.4 Ų51.456%0.55627%0.265SS*.Iπ-helixtrans-67-34.2-177.5-70.3-22.4000113N13 K14 Q21N13-N17 WeakPolarHBondContact O-CB 3.46Å; N13-N17 VanDerWaalsContact O-CG 3.31Å; N13-N17 PolarHBondContact O-N 3.49Å; N13-N17 PolarHBondContact O-ND2 2.78Å; K14-N17 PolarHBondContact O-N 3.34Å; N17-Q21 WeakPolarHBondContact O-CB 3.46Å
18E97.7Very high97.5Very high92 Ų9248.9 Ų48.943%0.4326%0.263SS..Iπ-helixtrans-90.3-57.5-178.1-67175.2-174.800112.2K14 Y16 A22K14-E18 WeakPolarHBondContact CE-OE1 3.5Å; K14-E18 HydrophobicContact CG-CG 4.44Å; K14-E18 WeakPolarHBondContact CG-OE1 3.5Å; K14-E18 WeakPolarHBondContact O-CB 3.36Å; K14-E18 PolarHBondContact O-N 3.17Å; Y16-E18 VanDerWaalsContact C-N 3.35Å; Y16-E18 PolarHBondContact O-N 3.47Å; E18-A22 WeakPolarHBondContact O-CB 3.39Å; E18-A22 PolarHBondContact O-N 3.48Å
19K98Very high97.5Very high60 Ų6055.3 Ų55.326%0.26129%0.29SS..Iπ-helixtrans-85.3-46-171.4-51.3-59.1-170.6-176.80111.7Y15 R23 T256Y15-K19 HydrophobicContact CD1-CB 4.4Å; Y15-K19 HydrophobicContact CD2-CB 4.16Å; Y15-K19 HydrophobicContact CD2-CG 3.64Å; Y15-K19 HydrophobicContact CE1-CB 4.16Å; Y15-K19 HydrophobicContact CE2-CB 3.95Å; Y15-K19 HydrophobicContact CE2-CG 3.59Å; Y15-K19 HydrophobicContact CG-CB 4.4Å; Y15-K19 HydrophobicContact CG-CG 4.24Å; Y15-K19 WeakPolarHBondContact O-CA 3.19Å; Y15-K19 WeakPolarHBondContact O-CB 3.38Å; Y15-K19 PolarHBondContact O-N 3.28Å; K19-R23 VanDerWaalsContact O-CB 3.28Å; K19-R23 WeakPolarHBondContact O-CB 3.42Å; K19-R23 PolarHBondContact O-N 3.01Å; K19-T256 HydrophobicContact CB-CG2 4.07Å
20C98.3Very high97.5Very high0 Ų055.1 Ų55.10%029%0.289CS..Iπ-helixtrans-71.3-39.7-176.6-58.50000111.7Y15 Y16 R23 K24 T256Y15-C20 PolarHBondContact O-N 3.38Å; Y16-C20 HydrophobicContact CD2-CB 3.66Å; Y16-C20 HydrophobicContact CE2-CB 4.13Å; Y16-C20 HydrophobicContact CG-CB 4.3Å; Y16-C20 WeakPolarHBondContact O-CA 3.41Å; Y16-C20 WeakPolarHBondContact O-CB 3.41Å; Y16-C20 PolarHBondContact O-N 3.02Å; C20-R23 PolarHBondContact O-N 3.25Å; C20-K24 WeakPolarHBondContact O-CG 3.46Å; C20-K24 PolarHBondContact O-N 3.27Å; C20-T256 PolarHBondContact SG-OG1 2.99Å
21Q98.1Very high97.6Very high79 Ų7949.5 Ų49.537%0.36927%0.269SS..Hα-helixtrans-69-42.6176.1-63.3-63.1-9.100112.2Y16 N17 R23 K24 A25Y16-Q21 VanDerWaalsContact CE1-NE2 3.28Å; Y16-Q21 PolarHBondContact O-N 2.88Å; Y16-Q21 PolarHBondContact OH-NE2 3.26Å; N17-Q21 WeakPolarHBondContact O-CB 3.46Å; Q21-R23 VanDerWaalsContact C-N 3.3Å; Q21-R23 PolarHBondContact O-N 2.84Å; Q21-K24 PolarHBondContact O-N 2.99Å; Q21-K24 VanDerWaalsContact O-N 3.16Å; Q21-A25 WeakPolarHBondContact O-CB 3.47Å; Q21-A25 PolarHBondContact O-N 2.83Å
22A97.8Very high97.4Very high61 Ų6155.6 Ų55.650%0.50429%0.292SS..Hα-helixtrans-58.7-43.7173.900000111.6E18 K24 A25 A26E18-A22 WeakPolarHBondContact O-CB 3.39Å; E18-A22 PolarHBondContact O-N 3.48Å; A22-K24 PolarHBondContact O-N 2.96Å; A22-A25 PolarHBondContact O-N 3.19Å; A22-A26 WeakPolarHBondContact O-CB 3.48Å; A22-A26 PolarHBondContact O-N 3.14Å
23R97.6Very high97.3Very high39 Ų3957.7 Ų57.715%0.14730%0.301CS..Hα-helixtrans-57.1-48.9173.1-179.4-173.5174.9-73.1-5.5111.6K19 C20 Q21 A26 I27 T256 D259 N271K19-R23 VanDerWaalsContact O-CB 3.28Å; K19-R23 WeakPolarHBondContact O-CB 3.42Å; K19-R23 PolarHBondContact O-N 3.01Å; C20-R23 PolarHBondContact O-N 3.25Å; Q21-R23 VanDerWaalsContact C-N 3.3Å; Q21-R23 PolarHBondContact O-N 2.84Å; R23-A26 PolarHBondContact O-N 3.37Å; R23-I27 HydrophobicContact CG-CD1 3.88Å; R23-I27 VanDerWaalsContact CZ-CD1 3.49Å; R23-I27 VanDerWaalsContact NH1-CD1 3.32Å; R23-I27 VanDerWaalsContact O-CG1 3.28Å; R23-I27 WeakPolarHBondContact O-CG1 3.49Å; R23-I27 PolarHBondContact O-N 2.62Å; R23-T256 VanDerWaalsContact CD-OG1 3.27Å; R23-T256 WeakPolarHBondContact CD-OG1 3.38Å; R23-D259 IonicContact CZ-OD2 3.37Å; R23-D259 IonicContact NE-OD2 3.77Å; R23-D259 PolarHBondContact NE-OD2 3.08Å; R23-D259 IonicContact NH2-OD2 3.77Å; R23-D259 PolarHBondContact NH2-OD2 3.44Å; R23-N271 PolarHBondContact NH2-ND2 2.89Å
24K97Very high97.2Very high78 Ų7855.6 Ų55.634%0.33929%0.29SS..Hα-helixtrans-62.1-44.2178.9-75.9175.2-179.5176.90112.2Y16 C20 Q21 A22 I27 A28 S252Y16-K24 PolarHBondContact OH-NZ 3.34Å; C20-K24 WeakPolarHBondContact O-CG 3.46Å; C20-K24 PolarHBondContact O-N 3.27Å; Q21-K24 PolarHBondContact O-N 2.99Å; Q21-K24 VanDerWaalsContact O-N 3.16Å; A22-K24 PolarHBondContact O-N 2.96Å; K24-I27 PolarHBondContact O-N 2.66Å; K24-A28 WeakPolarHBondContact O-CB 3.36Å; K24-A28 PolarHBondContact O-N 3.39Å; K24-S252 WeakPolarHBondContact CE-OG 3.28Å
25A97.1Very high97.2Very high65 Ų6552.9 Ų52.954%0.53728%0.278SS..Hα-helixtrans-63.8-42.7179.700000111.9Q21 A22 A28 K29Q21-A25 WeakPolarHBondContact O-CB 3.47Å; Q21-A25 PolarHBondContact O-N 2.83Å; A22-A25 PolarHBondContact O-N 3.19Å; A25-A28 PolarHBondContact O-N 2.99Å; A25-K29 PolarHBondContact O-N 3.02Å; A25-K29 VanDerWaalsContact O-N 3.13Å
26A97.6Very high97Very high58 Ų5859 Ų5948%0.47931%0.305SS..Hα-helixtrans-61.3-47.9174.900000111.5A22 R23 A28 K29 T30A22-A26 WeakPolarHBondContact O-CB 3.48Å; A22-A26 PolarHBondContact O-N 3.14Å; R23-A26 PolarHBondContact O-N 3.37Å; A26-A28 PolarHBondContact O-N 2.97Å; A26-K29 WeakPolarHBondContact O-CB 3.42Å; A26-K29 PolarHBondContact O-N 3.14Å; A26-T30 PolarHBondContact O-N 2.87Å; A26-T30 VanDerWaalsContact O-N 3.09Å; A26-T30 PolarHBondContact O-OG1 2.83Å
27I97.4Very high97Very high12 Ų1257.4 Ų57.46%0.06230%0.299CS..Hα-helixtrans-61-44.2177.4-70.2170.6000111.1R23 K24 K29 T30 I31 V68 P71 F74R23-I27 HydrophobicContact CG-CD1 3.88Å; R23-I27 VanDerWaalsContact CZ-CD1 3.49Å; R23-I27 VanDerWaalsContact NH1-CD1 3.32Å; R23-I27 VanDerWaalsContact O-CG1 3.28Å; R23-I27 WeakPolarHBondContact O-CG1 3.49Å; R23-I27 PolarHBondContact O-N 2.62Å; K24-I27 PolarHBondContact O-N 2.66Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.04Å; I27-T30 CarbonylContact O-C 3.37Å; I27-T30 PolarHBondContact O-N 3.39Å; I27-T30 VanDerWaalsContact O-N 3.08Å; I27-I31 HydrophobicContact CG2-CD1 3.72Å; I27-I31 HydrophobicContact CG2-CG1 4.07Å; I27-I31 VanDerWaalsContact O-CG1 3.31Å; I27-I31 WeakPolarHBondContact O-CG1 3.41Å; I27-I31 PolarHBondContact O-N 3.15Å; I27-V68 HydrophobicContact CD1-CG1 4.28Å; I27-V68 HydrophobicContact CG2-CG1 3.97Å; I27-V68 HydrophobicContact CG2-CG2 4.06Å; I27-P71 HydrophobicContact CD1-CB 4.41Å; I27-P71 HydrophobicContact CD1-CG 4.38Å; I27-P71 HydrophobicContact CG1-CB 4.25Å; I27-F74 HydrophobicContact CG2-CE1 4.3Å
28A96Very high97Very high46 Ų4652.4 Ų52.438%0.3827%0.273SS..Hα-helixtrans-61.1-34.9178.800000112.7K24 A25 A26 R32K24-A28 WeakPolarHBondContact O-CB 3.36Å; K24-A28 PolarHBondContact O-N 3.39Å; A25-A28 PolarHBondContact O-N 2.99Å; A26-A28 PolarHBondContact O-N 2.97Å; A28-R32 PolarHBondContact O-N 3.4Å
29K95.8Very high97Very high148 Ų14850 Ų5064%0.64327%0.265SS*.Hα-helixtrans-65.6-46.4172-174.6180177-179.20111.2A25 A26 I27 R32 E33A25-K29 PolarHBondContact O-N 3.02Å; A25-K29 VanDerWaalsContact O-N 3.13Å; A26-K29 WeakPolarHBondContact O-CB 3.42Å; A26-K29 PolarHBondContact O-N 3.14Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.04Å; K29-R32 PolarHBondContact O-N 3.4Å; K29-E33 PolarHBondContact O-N 3.06Å
30T96.8Very high96.9Very high16 Ų1648.5 Ų48.510%0.09826%0.26CS..Hα-helixtrans-62.7-41.4177.6-600000112A26 I27 R32 E33 V34 F74 Y166A26-T30 PolarHBondContact O-N 2.87Å; A26-T30 VanDerWaalsContact O-N 3.09Å; A26-T30 PolarHBondContact O-OG1 2.83Å; I27-T30 CarbonylContact O-C 3.37Å; I27-T30 PolarHBondContact O-N 3.39Å; I27-T30 VanDerWaalsContact O-N 3.08Å; T30-R32 PolarHBondContact O-N 3.09Å; T30-E33 WeakPolarHBondContact O-CB 3.38Å; T30-E33 PolarHBondContact O-N 3.49Å; T30-E33 VanDerWaalsContact O-N 3.12Å; T30-V34 HydrophobicContact CG2-CG1 4.04Å; T30-V34 WeakPolarHBondContact O-CG2 3.34Å; T30-V34 PolarHBondContact O-N 2.89Å; T30-F74 HydrophobicContact CG2-CE2 3.63Å; T30-F74 HydrophobicContact CG2-CZ 3.53Å; T30-Y166 HydrophobicContact CG2-CD1 3.64Å; T30-Y166 HydrophobicContact CG2-CD2 4.44Å; T30-Y166 HydrophobicContact CG2-CE1 3.4Å; T30-Y166 HydrophobicContact CG2-CE2 4.23Å; T30-Y166 HydrophobicContact CG2-CG 4.16Å
31I97.1Very high96.9Very high26 Ų2648.5 Ų48.513%0.13326%0.26CS..Hα-helixtrans-54.4-50.4178.3-76.7174.6000111.2I27 E33 V34 C35 Y63 L66 V68 F74I27-I31 HydrophobicContact CG2-CD1 3.72Å; I27-I31 HydrophobicContact CG2-CG1 4.07Å; I27-I31 VanDerWaalsContact O-CG1 3.31Å; I27-I31 WeakPolarHBondContact O-CG1 3.41Å; I27-I31 PolarHBondContact O-N 3.15Å; I31-E33 VanDerWaalsContact C-N 3.26Å; I31-E33 PolarHBondContact O-N 3.35Å; I31-V34 WeakPolarHBondContact O-CG2 3.5Å; I31-V34 PolarHBondContact O-N 2.8Å; I31-C35 VanDerWaalsContact O-CB 3.28Å; I31-C35 WeakPolarHBondContact O-CB 3.46Å; I31-C35 PolarHBondContact O-N 2.85Å; I31-C35 PolarHBondContact O-SG 2.86Å; I31-Y63 HydrophobicContact CG2-CD2 3.56Å; I31-Y63 HydrophobicContact CG2-CE2 3.6Å; I31-L66 HydrophobicContact CB-CD2 4.23Å; I31-L66 HydrophobicContact CD1-CD2 3.95Å; I31-L66 HydrophobicContact CG1-CD2 3.92Å; I31-L66 HydrophobicContact CG2-CD2 3.39Å; I31-V68 HydrophobicContact CD1-CG2 3.79Å; I31-F74 HydrophobicContact CD1-CE1 4.42Å; I31-F74 HydrophobicContact CG1-CD1 4.19Å; I31-F74 HydrophobicContact CG1-CE1 3.63Å; I31-F74 HydrophobicContact CG1-CZ 4.44Å
32R94.7Very high96.9Very high139 Ų13944.7 Ų44.753%0.52524%0.243SC..Hα-helixtrans-60.6-38.5179.6-71.7-175.5-70-177.1-1.1112.1A28 K29 T30 K36A28-R32 PolarHBondContact O-N 3.4Å; K29-R32 PolarHBondContact O-N 3.4Å; T30-R32 PolarHBondContact O-N 3.09Å; R32-K36 WeakPolarHBondContact O-CB 3.32Å; R32-K36 PolarHBondContact O-N 3.42Å
33E94.5Very high96.8Very high43 Ų4348 Ų4820%0.20125%0.246CC..Hα-helixtrans-67-50.8177.4-176.1-176.6159.700112K29 T30 I31 K36 V37 R163K29-E33 PolarHBondContact O-N 3.06Å; T30-E33 WeakPolarHBondContact O-CB 3.38Å; T30-E33 PolarHBondContact O-N 3.49Å; T30-E33 VanDerWaalsContact O-N 3.12Å; I31-E33 VanDerWaalsContact C-N 3.26Å; I31-E33 PolarHBondContact O-N 3.35Å; E33-K36 PolarHBondContact O-N 3.37Å; E33-V37 PolarHBondContact O-N 3.14Å; E33-R163 VanDerWaalsContact OE1-CD 3.3Å; E33-R163 WeakPolarHBondContact OE1-CD 3.38Å; E33-R163 IonicContact OE1-CZ 2.74Å; E33-R163 IonicContact OE1-NE 3.88Å; E33-R163 PolarHBondContact OE1-NE 3.45Å; E33-R163 IonicContact OE1-NH1 2.66Å; E33-R163 PolarHBondContact OE1-NH1 3.28Å; E33-R163 IonicContact OE1-NH2 3.49Å; E33-R163 IonicContact OE2-NH1 3.53Å
34V97.4Very high96.9Very high1 Ų148.5 Ų48.51%0.00625%0.25CC..Hα-helixtrans-68.7-39.3-177.6-59.70000111.7T30 I31 K36 V37 V38 F74 I162 Y166 V168T30-V34 HydrophobicContact CG2-CG1 4.04Å; T30-V34 WeakPolarHBondContact O-CG2 3.34Å; T30-V34 PolarHBondContact O-N 2.89Å; I31-V34 WeakPolarHBondContact O-CG2 3.5Å; I31-V34 PolarHBondContact O-N 2.8Å; V34-K36 VanDerWaalsContact C-N 3.32Å; V34-K36 PolarHBondContact O-N 3.29Å; V34-V37 PolarHBondContact O-N 3.17Å; V34-V38 WeakPolarHBondContact O-CG2 3.5Å; V34-V38 PolarHBondContact O-N 3.49Å; V34-F74 HydrophobicContact CG1-CD2 4.46Å; V34-F74 HydrophobicContact CG1-CE2 4.34Å; V34-F74 HydrophobicContact CG2-CD2 4.18Å; V34-F74 HydrophobicContact CG2-CE2 4.38Å; V34-F74 HydrophobicContact CG2-CG 4.36Å; V34-I162 HydrophobicContact CB-CD1 4.03Å; V34-I162 HydrophobicContact CG1-CD1 4.17Å; V34-Y166 HydrophobicContact CG1-CD2 4.1Å; V34-Y166 HydrophobicContact CG1-CG 4.09Å; V34-V168 HydrophobicContact CB-CG2 3.98Å; V34-V168 HydrophobicContact CG1-CG2 4.32Å; V34-V168 HydrophobicContact CG2-CG2 4.42Å
35C97Very high96.9Very high1 Ų144.8 Ų44.81%0.00723%0.234CC..Hα-helixtrans-65.2-37.6178.9-66.20000111.3I31 V37 V38 S39 L56 Y63I31-C35 VanDerWaalsContact O-CB 3.28Å; I31-C35 WeakPolarHBondContact O-CB 3.46Å; I31-C35 PolarHBondContact O-N 2.85Å; I31-C35 PolarHBondContact O-SG 2.86Å; C35-V37 VanDerWaalsContact C-N 3.31Å; C35-V37 PolarHBondContact O-N 3.41Å; C35-V38 PolarHBondContact O-N 3.39Å; C35-S39 WeakPolarHBondContact O-CB 3.21Å; C35-S39 PolarHBondContact O-N 2.97Å; C35-S39 PolarHBondContact O-OG 3.33Å; C35-L56 HydrophobicContact CB-CD2 4.14Å; C35-Y63 HydrophobicContact CB-CD1 3.92Å; C35-Y63 HydrophobicContact CB-CD2 4.43Å; C35-Y63 HydrophobicContact CB-CE1 3.54Å; C35-Y63 HydrophobicContact CB-CE2 4.1Å; C35-Y63 HydrophobicContact CB-CG 4.35Å
36K95.5Very high96.9Very high133 Ų13345.2 Ų45.258%0.57822%0.224SC*.Hα-helixtrans-58-42.8174.7-167.3-172.3-169.8-150.10112.5R32 E33 V34 D40 Y145R32-K36 WeakPolarHBondContact O-CB 3.32Å; R32-K36 PolarHBondContact O-N 3.42Å; E33-K36 PolarHBondContact O-N 3.37Å; V34-K36 VanDerWaalsContact C-N 3.32Å; V34-K36 PolarHBondContact O-N 3.29Å; K36-D40 PolarHBondContact O-N 3.35Å; K36-Y145 WeakPolarHBondContact CD-OH 3.32Å; K36-Y145 WeakPolarHBondContact CE-OH 3.49Å; K36-Y145 WeakPolarHBondContact CG-OH 3.36Å; K36-Y145 PolarHBondContact NZ-OH 3.21Å
37V97.8Very high96.8Very high4 Ų447.5 Ų47.52%0.02423%0.232CC..Hα-helixtrans-69-45.4177.3176.60000110.6E33 V34 C35 S39 D40 V41 Y145 V149 I162E33-V37 PolarHBondContact O-N 3.14Å; V34-V37 PolarHBondContact O-N 3.17Å; C35-V37 VanDerWaalsContact C-N 3.31Å; C35-V37 PolarHBondContact O-N 3.41Å; V37-S39 PolarHBondContact O-N 3.03Å; V37-D40 PolarHBondContact O-N 2.93Å; V37-V41 WeakPolarHBondContact O-CG2 3.34Å; V37-V41 PolarHBondContact O-N 3.22Å; V37-V41 VanDerWaalsContact O-N 3.09Å; V37-Y145 HydrophobicContact CB-CD2 4.49Å; V37-Y145 HydrophobicContact CB-CG 4.39Å; V37-Y145 HydrophobicContact CG1-CG 4.23Å; V37-Y145 HydrophobicContact CG2-CD1 3.86Å; V37-Y145 HydrophobicContact CG2-CD2 4.33Å; V37-Y145 HydrophobicContact CG2-CE1 4.24Å; V37-Y145 HydrophobicContact CG2-CG 3.91Å; V37-V149 HydrophobicContact CG1-CB 3.87Å; V37-V149 HydrophobicContact CG1-CG1 4.22Å; V37-V149 HydrophobicContact CG1-CG2 4.05Å; V37-I162 HydrophobicContact CB-CD1 4Å; V37-I162 HydrophobicContact CG1-CD1 3.92Å; V37-I162 HydrophobicContact CG1-CG1 4.15Å; V37-I162 HydrophobicContact CG2-CG2 4.23Å
38V98Very high96.8Very high0 Ų049.4 Ų49.40%024%0.241CC..Hα-helixtrans-63.5-42.5-179.4173.40000111.5V34 C35 D40 V41 L42 L56 V76 L160 I162 V168 I170V34-V38 WeakPolarHBondContact O-CG2 3.5Å; V34-V38 PolarHBondContact O-N 3.49Å; C35-V38 PolarHBondContact O-N 3.39Å; V38-D40 VanDerWaalsContact C-N 3.3Å; V38-D40 PolarHBondContact O-N 3.01Å; V38-V41 PolarHBondContact O-N 3.19Å; V38-L42 HydrophobicContact CG1-CD1 3.83Å; V38-L42 HydrophobicContact CG1-CG 4.15Å; V38-L42 WeakPolarHBondContact O-CB 3.49Å; V38-L42 WeakPolarHBondContact O-CG 3.5Å; V38-L42 PolarHBondContact O-N 3.35Å; V38-L56 HydrophobicContact CB-CD2 4.01Å; V38-L56 HydrophobicContact CG1-CD2 3.68Å; V38-V76 HydrophobicContact CG1-CG1 4.45Å; V38-V76 HydrophobicContact CG1-CG2 4.34Å; V38-L160 HydrophobicContact CG2-CD1 4.48Å; V38-I162 HydrophobicContact CG2-CD1 4.43Å; V38-V168 HydrophobicContact CG2-CB 4.28Å; V38-V168 HydrophobicContact CG2-CG1 3.86Å; V38-V168 HydrophobicContact CG2-CG2 4.35Å; V38-I170 HydrophobicContact CG1-CD1 3.81Å; V38-I170 HydrophobicContact CG1-CG1 4.28Å
39S96.7Very high96.8Very high40 Ų4048.3 Ų48.328%0.2823%0.228SC..Hα-helixtrans-60.7-38.3176.8-64.50000112.3C35 V37 L42 K43C35-S39 WeakPolarHBondContact O-CB 3.21Å; C35-S39 PolarHBondContact O-N 2.97Å; C35-S39 PolarHBondContact O-OG 3.33Å; V37-S39 PolarHBondContact O-N 3.03Å; S39-L42 PolarHBondContact O-N 3.23Å; S39-K43 WeakPolarHBondContact O-CB 3.48Å; S39-K43 PolarHBondContact O-N 3.44Å
40D97.2Very high96.7Very high29 Ų2945.4 Ų45.416%0.15522%0.224CC..Hα-helixtrans-67.8-42.1176.8-164.764.6000111.6K36 V37 V38 K43 E44 C143 S144 Y145K36-D40 PolarHBondContact O-N 3.35Å; V37-D40 PolarHBondContact O-N 2.93Å; V38-D40 VanDerWaalsContact C-N 3.3Å; V38-D40 PolarHBondContact O-N 3.01Å; D40-K43 WeakPolarHBondContact O-CB 3.37Å; D40-K43 PolarHBondContact O-N 3.3Å; D40-E44 PolarHBondContact O-N 2.95Å; D40-C143 WeakPolarHBondContact OD2-CB 3.38Å; D40-S144 VanDerWaalsContact OD2-CB 3.29Å; D40-S144 WeakPolarHBondContact OD2-CB 3.49Å; D40-S144 PolarHBondContact OD2-N 3.09Å; D40-S144 PolarHBondContact OD2-OG 3.11Å; D40-Y145 HydrophobicContact CB-CD2 3.7Å; D40-Y145 HydrophobicContact CB-CE2 3.73Å; D40-Y145 WeakPolarHBondContact OD2-CD2 2.96Å
41V98.2Very high96.6Very high0 Ų046.7 Ų46.70%023%0.227CC..Hα-helixtrans-62.2-46.1173.2173.90000111.1V37 V38 K43 E44 V45 V136 A139 V140 C143 V149 L160V37-V41 WeakPolarHBondContact O-CG2 3.34Å; V37-V41 PolarHBondContact O-N 3.22Å; V37-V41 VanDerWaalsContact O-N 3.09Å; V38-V41 PolarHBondContact O-N 3.19Å; V41-K43 VanDerWaalsContact C-N 3.28Å; V41-K43 PolarHBondContact O-N 3.31Å; V41-E44 PolarHBondContact O-N 3.5Å; V41-V45 WeakPolarHBondContact O-CG2 3.34Å; V41-V45 PolarHBondContact O-N 3Å; V41-V136 HydrophobicContact CG1-CG1 3.98Å; V41-A139 HydrophobicContact CG1-CB 4.01Å; V41-V140 HydrophobicContact CG1-CG2 4.25Å; V41-V140 HydrophobicContact CG2-CG2 4.32Å; V41-C143 HydrophobicContact CG2-CB 4.23Å; V41-V149 HydrophobicContact CG2-CG1 4.39Å; V41-L160 HydrophobicContact CG1-CD1 4.34Å; V41-L160 HydrophobicContact CG2-CD1 4.36Å
42L97.7Very high96.5Very high0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-64.1-33.3179.7-74.2176.5000112.3V38 S39 V45 E46 L56 L78 F132 I170V38-L42 HydrophobicContact CG1-CD1 3.83Å; V38-L42 HydrophobicContact CG1-CG 4.15Å; V38-L42 WeakPolarHBondContact O-CB 3.49Å; V38-L42 WeakPolarHBondContact O-CG 3.5Å; V38-L42 PolarHBondContact O-N 3.35Å; S39-L42 PolarHBondContact O-N 3.23Å; L42-V45 WeakPolarHBondContact O-CB 3.37Å; L42-V45 PolarHBondContact O-N 3.25Å; L42-E46 WeakPolarHBondContact O-CB 3.35Å; L42-E46 PolarHBondContact O-N 3.29Å; L42-L56 HydrophobicContact CD1-CB 4.3Å; L42-L78 HydrophobicContact CD1-CD1 4.17Å; L42-L78 HydrophobicContact CD2-CD1 4.27Å; L42-L78 HydrophobicContact CD2-CD2 4.12Å; L42-F132 HydrophobicContact CD2-CE2 4.43Å; L42-F132 HydrophobicContact CD2-CZ 4.01Å; L42-I170 HydrophobicContact CD2-CD1 4.45Å; L42-I170 HydrophobicContact CD2-CG2 4.26Å
43K96.7Very high96.3Very high131 Ų13142 Ų4257%0.5721%0.212SC*.Hα-helixtrans-61.5-44.2173.3-173.9-176.3177-171.70111.8S39 D40 V41 V45 E46 V47S39-K43 WeakPolarHBondContact O-CB 3.48Å; S39-K43 PolarHBondContact O-N 3.44Å; D40-K43 WeakPolarHBondContact O-CB 3.37Å; D40-K43 PolarHBondContact O-N 3.3Å; V41-K43 VanDerWaalsContact C-N 3.28Å; V41-K43 PolarHBondContact O-N 3.31Å; K43-V45 VanDerWaalsContact C-N 3.3Å; K43-V45 PolarHBondContact O-N 3.5Å; K43-E46 PolarHBondContact O-N 3.22Å; K43-V47 WeakPolarHBondContact O-CG2 3.37Å; K43-V47 PolarHBondContact O-N 3.05Å; K43-V47 VanDerWaalsContact O-N 3.11Å
44E97.8Very high96.1Very high49 Ų4941.3 Ų41.323%0.22921%0.212CC..Hα-helixtrans-68.3-28.9175.8-68.7-56.4137.100112.8D40 V41 Q48 A139 K142 C143D40-E44 PolarHBondContact O-N 2.95Å; V41-E44 PolarHBondContact O-N 3.5Å; E44-Q48 WeakPolarHBondContact O-CG 3.47Å; E44-Q48 PolarHBondContact O-NE2 2.64Å; E44-A139 HydrophobicContact CB-CB 3.64Å; E44-K142 HydrophobicContact CG-CB 4.42Å; E44-C143 HydrophobicContact CG-CB 4.25Å
45V98Very high95.7Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-67.9-46.7170.6173.80000110.8V41 L42 K43 V47 Q48 E49 F52 F132 L135 V136 A139V41-V45 WeakPolarHBondContact O-CG2 3.34Å; V41-V45 PolarHBondContact O-N 3Å; L42-V45 WeakPolarHBondContact O-CB 3.37Å; L42-V45 PolarHBondContact O-N 3.25Å; K43-V45 VanDerWaalsContact C-N 3.3Å; K43-V45 PolarHBondContact O-N 3.5Å; V45-V47 VanDerWaalsContact C-N 3.3Å; V45-V47 PolarHBondContact O-N 3.13Å; V45-Q48 PolarHBondContact O-N 3.48Å; V45-E49 PolarHBondContact O-N 2.87Å; V45-F52 HydrophobicContact CG1-CB 3.84Å; V45-F52 HydrophobicContact CG1-CD2 4.42Å; V45-F52 HydrophobicContact CG1-CG 4.41Å; V45-F132 HydrophobicContact CG1-CD2 4.31Å; V45-F132 HydrophobicContact CG1-CE2 3.94Å; V45-L135 HydrophobicContact CG1-CB 4.07Å; V45-L135 HydrophobicContact CG1-CD1 4.43Å; V45-L135 HydrophobicContact CG2-CB 4.45Å; V45-V136 HydrophobicContact CG2-CB 4.42Å; V45-V136 HydrophobicContact CG2-CG2 3.72Å; V45-A139 HydrophobicContact CG2-CB 3.58Å
46E96.5Very high95.3Very high73 Ų7342.3 Ų42.334%0.34122%0.218SC..Hα-helixtrans-60.9-37.6-178.8-172.5176.8149.100112.2L42 K43 Q48 E49 P50 S54L42-E46 WeakPolarHBondContact O-CB 3.35Å; L42-E46 PolarHBondContact O-N 3.29Å; K43-E46 PolarHBondContact O-N 3.22Å; E46-Q48 PolarHBondContact O-N 3.46Å; E46-E49 CarbonylContact O-C 3.5Å; E46-E49 PolarHBondContact O-N 3.42Å; E46-P50 WeakPolarHBondContact O-CA 3.36Å; E46-S54 PolarHBondContact OE2-N 3.39Å
47V96.6Very high94.9Very high107 Ų10740.4 Ų40.465%0.64822%0.215SC*.Hα-helixtrans-59.3-36.4173.3170.20000112.1K43 V45K43-V47 WeakPolarHBondContact O-CG2 3.37Å; K43-V47 PolarHBondContact O-N 3.05Å; K43-V47 VanDerWaalsContact O-N 3.11Å; V45-V47 VanDerWaalsContact C-N 3.3Å; V45-V47 PolarHBondContact O-N 3.13Å
48Q96.1Very high94.4Very high52 Ų5244.5 Ų44.524%0.24323%0.234CC..Hα-helixtrans-86.8-31.2-177.8-67175.59600112.5E44 V45 E46 L135 Q138E44-Q48 WeakPolarHBondContact O-CG 3.47Å; E44-Q48 PolarHBondContact O-NE2 2.64Å; V45-Q48 PolarHBondContact O-N 3.48Å; E46-Q48 PolarHBondContact O-N 3.46Å; Q48-L135 HydrophobicContact CB-CD2 3.91Å; Q48-Q138 VanDerWaalsContact OE1-OE1 3.05Å
49E95.9Very high93.7Very high23 Ų2351.1 Ų51.111%0.10727%0.266CS..  trans-147.692.1-176.9-178.754.7-104.200110.3V45 E46 R51 F52 L135V45-E49 PolarHBondContact O-N 2.87Å; E46-E49 CarbonylContact O-C 3.5Å; E46-E49 PolarHBondContact O-N 3.42Å; E49-R51 VanDerWaalsContact CD-NE 3.29Å; E49-R51 VanDerWaalsContact CD-NH2 3.28Å; E49-R51 HydrophobicContact CG-CB 4.27Å; E49-R51 PolarHBondContact O-N 3.34Å; E49-R51 WeakPolarHBondContact OE1-CB 3.2Å; E49-R51 WeakPolarHBondContact OE1-CG 3.46Å; E49-R51 IonicContact OE1-CZ 3.14Å; E49-R51 PolarHBondContact OE1-N 3.15Å; E49-R51 IonicContact OE1-NE 2.79Å; E49-R51 PolarHBondContact OE1-NE 3.22Å; E49-R51 IonicContact OE1-NH2 2.92Å; E49-R51 PolarHBondContact OE1-NH2 3.34Å; E49-R51 IonicContact OE2-CZ 3.66Å; E49-R51 IonicContact OE2-NE 2.68Å; E49-R51 IonicContact OE2-NH2 3.09Å; E49-R51 PolarHBondContact OE2-NH2 3.44Å; E49-F52 HydrophobicContact CB-CD2 3.91Å; E49-F52 HydrophobicContact CB-CE2 4.5Å; E49-F52 HydrophobicContact CG-CD2 3.31Å; E49-F52 HydrophobicContact CG-CE2 3.63Å; E49-F52 HydrophobicContact CG-CG 4.45Å; E49-F52 PolarHBondContact O-N 2.92Å; E49-L135 HydrophobicContact CB-CD1 3.56Å; E49-L135 HydrophobicContact CB-CD2 4.09Å; E49-L135 HydrophobicContact CB-CG 4.49Å; E49-L135 HydrophobicContact CG-CD1 3.86Å
50P94.4Very high93.1Very high87 Ų8756.5 Ų56.557%0.56529%0.292SS*.THydrogen-bonded Turntrans-63-7.4-177.1-25.435.3000114.9E46 F52 I53E46-P50 WeakPolarHBondContact O-CA 3.36Å; P50-F52 VanDerWaalsContact C-N 3.3Å; P50-I53 WeakPolarHBondContact O-CG1 3.5Å
51R94.5Very high92.3Very high43 Ų4361.3 Ų61.316%0.16232%0.317CS..THydrogen-bonded Turntrans-72.5-21.1171.4-67.8178.3-70.5177.53.8113.1E49 L112 W113 E115E49-R51 VanDerWaalsContact CD-NE 3.29Å; E49-R51 VanDerWaalsContact CD-NH2 3.28Å; E49-R51 HydrophobicContact CG-CB 4.27Å; E49-R51 PolarHBondContact O-N 3.34Å; E49-R51 WeakPolarHBondContact OE1-CB 3.2Å; E49-R51 WeakPolarHBondContact OE1-CG 3.46Å; E49-R51 IonicContact OE1-CZ 3.14Å; E49-R51 PolarHBondContact OE1-N 3.15Å; E49-R51 IonicContact OE1-NE 2.79Å; E49-R51 PolarHBondContact OE1-NE 3.22Å; E49-R51 IonicContact OE1-NH2 2.92Å; E49-R51 PolarHBondContact OE1-NH2 3.34Å; E49-R51 IonicContact OE2-CZ 3.66Å; E49-R51 IonicContact OE2-NE 2.68Å; E49-R51 IonicContact OE2-NH2 3.09Å; E49-R51 PolarHBondContact OE2-NH2 3.44Å; R51-L112 HydrophobicContact CG-CD1 3.99Å; R51-L112 HydrophobicContact CG-CD2 4.37Å; R51-L112 HydrophobicContact CG-CG 4.18Å; R51-L112 PolarHBondContact NH1-O 3.21Å; R51-W113 HydrophobicContact CB-CH2 3.98Å; R51-W113 HydrophobicContact CB-CZ3 4.07Å; R51-E115 IonicContact CZ-OE1 3.82Å; R51-E115 IonicContact CZ-OE2 3.96Å; R51-E115 VanDerWaalsContact NH1-CD 3.33Å; R51-E115 IonicContact NH1-OE1 2.74Å; R51-E115 IonicContact NH1-OE2 3.6Å; R51-E115 PolarHBondContact NH1-OE2 3.41Å; R51-E115 VanDerWaalsContact NH2-CD 3.28Å; R51-E115 IonicContact NH2-OE1 2.72Å; R51-E115 PolarHBondContact NH2-OE1 3.3Å; R51-E115 IonicContact NH2-OE2 2.8Å; R51-E115 PolarHBondContact NH2-OE2 3.49Å; R51-E115 VanDerWaalsContact NH2-OE2 3.1Å
52F95Very high91.7Very high0 Ų070.8 Ų70.80%035%0.353CS..SBendtrans-101.564.5177.8-65.2-71.1000111.2V45 E49 P50 L78 L80 I128 F132 L135 P172V45-F52 HydrophobicContact CG1-CB 3.84Å; V45-F52 HydrophobicContact CG1-CD2 4.42Å; V45-F52 HydrophobicContact CG1-CG 4.41Å; E49-F52 HydrophobicContact CB-CD2 3.91Å; E49-F52 HydrophobicContact CB-CE2 4.5Å; E49-F52 HydrophobicContact CG-CD2 3.31Å; E49-F52 HydrophobicContact CG-CE2 3.63Å; E49-F52 HydrophobicContact CG-CG 4.45Å; E49-F52 PolarHBondContact O-N 2.92Å; P50-F52 VanDerWaalsContact C-N 3.3Å; F52-L78 HydrophobicContact CB-CD2 4.22Å; F52-L78 HydrophobicContact CD1-CD2 4.14Å; F52-L80 HydrophobicContact CD1-CD2 3.71Å; F52-L80 HydrophobicContact CE1-CD2 3.96Å; F52-I128 HydrophobicContact CE1-CG2 4.08Å; F52-I128 HydrophobicContact CZ-CG2 4.2Å; F52-F132 HydrophobicContact CB-CD2 4.34Å; F52-F132 HydrophobicContact CB-CE2 4.15Å; F52-F132 AromaticContact CD1-CD2 3.52Å; F52-F132 HydrophobicContact CD1-CD2 3.52Å; F52-F132 AromaticContact CD1-CE2 3.9Å; F52-F132 HydrophobicContact CD1-CE2 3.9Å; F52-F132 HydrophobicContact CD1-CG 4.34Å; F52-F132 HydrophobicContact CD2-CD2 4.02Å; F52-F132 HydrophobicContact CE1-CB 4.1Å; F52-F132 AromaticContact CE1-CD2 3.71Å; F52-F132 HydrophobicContact CE1-CD2 3.71Å; F52-F132 HydrophobicContact CE1-CE2 4.49Å; F52-F132 HydrophobicContact CE1-CG 4.13Å; F52-F132 HydrophobicContact CE2-CD2 4.21Å; F52-F132 AromaticContact CG-CD2 3.71Å; F52-F132 HydrophobicContact CG-CD2 3.71Å; F52-F132 HydrophobicContact CG-CE2 4Å; F52-F132 HydrophobicContact CZ-CB 4Å; F52-F132 HydrophobicContact CZ-CD2 4.07Å; F52-F132 HydrophobicContact CZ-CG 4.43Å; F52-L135 HydrophobicContact CD2-CD1 3.64Å; F52-L135 HydrophobicContact CE2-CD1 3.57Å; F52-P172 HydrophobicContact CE1-CB 4.44Å; F52-P172 HydrophobicContact CE1-CG 4.34Å
53I91.8Very high91.4Very high67 Ų6772.4 Ų72.434%0.34436%0.359SS..  trans-72.7134.9178.4-52.1-174.5000109.7P50 S55 L78P50-I53 WeakPolarHBondContact O-CG1 3.5Å; I53-S55 PolarHBondContact O-N 3.49Å; I53-S55 VanDerWaalsContact O-N 3.15Å; I53-L78 VanDerWaalsContact O-CD1 3.28Å; I53-L78 WeakPolarHBondContact O-CD1 3.16Å
54S89.8Confident91.2Very high27 Ų2770.3 Ų70.319%0.18935%0.352CS..  trans-62.7116.1177-178.70000111.8E46 L56E46-S54 PolarHBondContact OE2-N 3.39Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact OG-N 3.05Å
55S88.4Confident91Very high17 Ų1768.5 Ų68.512%0.11935%0.346CS..  trans-89.2-0.916764.10000112.9I53 N57 V77 Y79I53-S55 PolarHBondContact O-N 3.49Å; I53-S55 VanDerWaalsContact O-N 3.15Å; S55-N57 VanDerWaalsContact C-N 3.3Å; S55-N57 PolarHBondContact O-N 3.28Å; S55-V77 PolarHBondContact OG-O 2.95Å; S55-Y79 PolarHBondContact OG-N 3Å
56L89.5Confident90.9Very high6 Ų669.7 Ų69.73%0.03135%0.352CS..  trans-78.477.5-176.7-173.868.8000110.5C35 V38 L42 S54 Y63 V76C35-L56 HydrophobicContact CB-CD2 4.14Å; V38-L56 HydrophobicContact CB-CD2 4.01Å; V38-L56 HydrophobicContact CG1-CD2 3.68Å; L42-L56 HydrophobicContact CD1-CB 4.3Å; S54-L56 VanDerWaalsContact C-N 3.34Å; S54-L56 PolarHBondContact OG-N 3.05Å; L56-Y63 HydrophobicContact CD1-CD1 3.95Å; L56-Y63 HydrophobicContact CD1-CG 4.22Å; L56-Y63 HydrophobicContact CG-CD1 4.07Å; L56-V76 HydrophobicContact CB-CG1 4.41Å; L56-V76 HydrophobicContact CD1-CG1 3.91Å; L56-V76 HydrophobicContact CD1-CG2 4.22Å; L56-V76 HydrophobicContact CD2-CG1 4.28Å; L56-V76 HydrophobicContact CD2-CG2 4.45Å; L56-V76 HydrophobicContact CG-CG1 4.44Å
57N87Confident90.8Very high94 Ų9468.7 Ų68.750%0.50335%0.348SS..  trans-104.3139.7178.4-65.2-52.9000111S55 Y63 E64S55-N57 VanDerWaalsContact C-N 3.3Å; S55-N57 PolarHBondContact O-N 3.28Å; N57-Y63 WeakPolarHBondContact O-CA 3.37Å; N57-E64 PolarHBondContact O-N 3.3Å
58E86.7Confident90.8Very high90 Ų9065.3 Ų65.342%0.42133%0.327SS..EExtended strand (participates in β ladder)trans-88.5120.9173.1-168.9172.218000110.4R62 Y63E58-R62 CarbonylContact C-O 3.09Å; E58-R62 WeakPolarHBondContact CA-O 3.22Å; E58-Y63 HydrophobicContact CB-CD1 4.03Å; E58-Y63 HydrophobicContact CB-CE1 3.61Å; E58-Y63 VanDerWaalsContact CD-OH 3.27Å; E58-Y63 HydrophobicContact CG-CE1 4.1Å; E58-Y63 HydrophobicContact CG-CE2 4.13Å; E58-Y63 PolarHBondContact OE2-OH 2.94Å
59M83.2Confident90.8Very high139 Ų13965.6 Ų65.669%0.68533%0.33SS*.EExtended strand (participates in β ladder)trans-130.1126.5170.7-64.3-17472.100108.9N61 R62M59-N61 VanDerWaalsContact C-N 3.28Å; M59-N61 PolarHBondContact O-N 3.29Å; M59-R62 PolarHBondContact N-O 3.4Å; M59-R62 WeakPolarHBondContact O-CA 3.44Å; M59-R62 WeakPolarHBondContact O-CB 3.3Å; M59-R62 PolarHBondContact O-N 3.15Å; M59-R62 VanDerWaalsContact O-O 3.09Å
60D84Confident90.8Very high152 Ų15264.8 Ų64.881%0.81333%0.327SS*.THydrogen-bonded Turntrans50.342.8179.4-59.6-33.8000114.3R62D60-R62 PolarHBondContact O-N 3Å
61N80.1Confident90.8Very high130 Ų13062.8 Ų62.870%0.69531%0.314SS*.THydrogen-bonded Turntrans60.425.2-174.5-53.9-77.8000114.4M59M59-N61 VanDerWaalsContact C-N 3.28Å; M59-N61 PolarHBondContact O-N 3.29Å
62R86.2Confident90.9Very high200 Ų20063.1 Ų63.176%0.75532%0.321SS*.EExtended strand (participates in β ladder)trans-124.1142172.4-63-175.6-179.5166.86.4109.6E58 M59 D60E58-R62 CarbonylContact C-O 3.09Å; E58-R62 WeakPolarHBondContact CA-O 3.22Å; M59-R62 PolarHBondContact N-O 3.4Å; M59-R62 WeakPolarHBondContact O-CA 3.44Å; M59-R62 WeakPolarHBondContact O-CB 3.3Å; M59-R62 PolarHBondContact O-N 3.15Å; M59-R62 VanDerWaalsContact O-O 3.09Å; D60-R62 PolarHBondContact O-N 3Å
63Y92.2Very high91.1Very high33 Ų3366.7 Ų66.713%0.12934%0.337CS..EExtended strand (participates in β ladder)trans-102125.7175.2-68.3-91.7000109I31 C35 L56 N57 E58 L66I31-Y63 HydrophobicContact CG2-CD2 3.56Å; I31-Y63 HydrophobicContact CG2-CE2 3.6Å; C35-Y63 HydrophobicContact CB-CD1 3.92Å; C35-Y63 HydrophobicContact CB-CD2 4.43Å; C35-Y63 HydrophobicContact CB-CE1 3.54Å; C35-Y63 HydrophobicContact CB-CE2 4.1Å; C35-Y63 HydrophobicContact CB-CG 4.35Å; L56-Y63 HydrophobicContact CD1-CD1 3.95Å; L56-Y63 HydrophobicContact CD1-CG 4.22Å; L56-Y63 HydrophobicContact CG-CD1 4.07Å; N57-Y63 WeakPolarHBondContact O-CA 3.37Å; E58-Y63 HydrophobicContact CB-CD1 4.03Å; E58-Y63 HydrophobicContact CB-CE1 3.61Å; E58-Y63 VanDerWaalsContact CD-OH 3.27Å; E58-Y63 HydrophobicContact CG-CE1 4.1Å; E58-Y63 HydrophobicContact CG-CE2 4.13Å; E58-Y63 PolarHBondContact OE2-OH 2.94Å; Y63-L66 HydrophobicContact CD2-CD2 4.09Å; Y63-L66 HydrophobicContact CG-CD2 4.33Å; Y63-L66 PolarHBondContact O-N 3.15Å
64E90.7Very high91.4Very high87 Ų8763.7 Ų63.741%0.40732%0.322SS..THydrogen-bonded Turntrans-64.5135.8173.2-175.2171.6-162.700110.1N57 L66 Y79 K175N57-E64 PolarHBondContact O-N 3.3Å; E64-L66 PolarHBondContact O-N 3.03Å; E64-Y79 HydrophobicContact CG-CD2 4.45Å; E64-Y79 HydrophobicContact CG-CE2 4.06Å; E64-K175 IonicContact OE1-NZ 2.62Å; E64-K175 PolarHBondContact OE1-NZ 3.17Å
65G93.5Very high91.7Very high11 Ų1162.8 Ų62.811%0.11332%0.315CS..THydrogen-bonded Turntrans76.7-0.8-179.200000115.2V77G65-V77 PolarHBondContact O-N 3.42Å
66L96.6Very high92.2Very high25 Ų2562 Ų6213%0.13131%0.309CS..EExtended strand (participates in β ladder)trans-86122.5177.3-179.774.1000112.1I31 Y63 E64 F74 E75 V76I31-L66 HydrophobicContact CB-CD2 4.23Å; I31-L66 HydrophobicContact CD1-CD2 3.95Å; I31-L66 HydrophobicContact CG1-CD2 3.92Å; I31-L66 HydrophobicContact CG2-CD2 3.39Å; Y63-L66 HydrophobicContact CD2-CD2 4.09Å; Y63-L66 HydrophobicContact CG-CD2 4.33Å; Y63-L66 PolarHBondContact O-N 3.15Å; E64-L66 PolarHBondContact O-N 3.03Å; L66-F74 HydrophobicContact CD1-CB 4.22Å; L66-F74 HydrophobicContact CD1-CD1 4.47Å; L66-E75 CarbonylContact C-O 3.52Å; L66-E75 WeakPolarHBondContact CA-O 3.28Å; L66-V76 HydrophobicContact CD1-CG2 3.71Å
67E95.6Very high92.6Very high52 Ų5261.9 Ų61.924%0.24331%0.309CS..EExtended strand (participates in β ladder)trans-115.3136.2173.8-73.3-65.1157.200111.7I69 F74 E75E67-I69 HydrophobicContact CB-CD1 4.49Å; E67-F74 WeakPolarHBondContact O-CA 3.34Å; E67-E75 HydrophobicContact CB-CB 4.4Å; E67-E75 PolarHBondContact N-O 3Å; E67-E75 PolarHBondContact O-N 3.48Å
68V96.3Very high93.1Very high36 Ų3657.4 Ų57.422%0.21829%0.285CS..EExtended strand (participates in β ladder)trans-96.1105178.1-1780000109.7I27 I31 S70 F74I27-V68 HydrophobicContact CD1-CG1 4.28Å; I27-V68 HydrophobicContact CG2-CG1 3.97Å; I27-V68 HydrophobicContact CG2-CG2 4.06Å; I31-V68 HydrophobicContact CD1-CG2 3.79Å; V68-S70 WeakPolarHBondContact CG1-O 3.29Å; V68-F74 HydrophobicContact CG1-CD1 4.5Å; V68-F74 HydrophobicContact CG1-CE1 4.2Å; V68-F74 HydrophobicContact CG2-CD1 4.15Å; V68-F74 HydrophobicContact CG2-CE1 4.14Å
69I95.4Very high93.5Very high58 Ų5854.2 Ų54.230%0.29727%0.269SS..SBendtrans-79.5-47-180-50.8-54.8000110.2E67 E73 E75 R258 N271E67-I69 HydrophobicContact CB-CD1 4.49Å; I69-E73 WeakPolarHBondContact CA-O 3.34Å; I69-E73 HydrophobicContact CB-CB 4.05Å; I69-E73 WeakPolarHBondContact CB-O 3.34Å; I69-E73 HydrophobicContact CG2-CB 4.44Å; I69-E73 PolarHBondContact N-O 2.79Å; I69-E75 HydrophobicContact CD1-CB 4.23Å; I69-E75 HydrophobicContact CG1-CB 4.32Å; I69-R258 PolarHBondContact O-NH2 3.27Å; I69-N271 PolarHBondContact O-ND2 3.14Å
70S94.9Very high94.1Very high6 Ų648 Ų484%0.04224%0.239CC..SBendtrans-147.4177.3174.785.60000109.6V68 T72 E73V68-S70 WeakPolarHBondContact CG1-O 3.29Å; S70-T72 PolarHBondContact O-N 3.47Å; S70-T72 VanDerWaalsContact O-N 3.14Å; S70-T72 PolarHBondContact OG-N 3.46Å; S70-T72 VanDerWaalsContact OG-N 3.12Å; S70-T72 PolarHBondContact OG-OG1 2.65Å; S70-E73 PolarHBondContact N-O 3.47Å; S70-E73 PolarHBondContact O-N 3.45Å; S70-E73 VanDerWaalsContact O-O 3.11Å; S70-E73 WeakPolarHBondContact OG-CB 3.36Å; S70-E73 WeakPolarHBondContact OG-CG 3.29Å; S70-E73 PolarHBondContact OG-N 2.95Å
71P96.2Very high94.3Very high46 Ų4646.6 Ų46.630%0.29923%0.231SC..SBendtrans-59.6-17.8173.1-24.836.1000114.9I27 D259I27-P71 HydrophobicContact CD1-CB 4.41Å; I27-P71 HydrophobicContact CD1-CG 4.38Å; I27-P71 HydrophobicContact CG1-CB 4.25Å; P71-D259 WeakPolarHBondContact CD-OD2 3.29Å; P71-D259 HydrophobicContact CG-CB 4.43Å; P71-D259 WeakPolarHBondContact CG-OD2 3.32Å
72T96.6Very high94.2Very high49 Ų4946.6 Ų46.630%0.30123%0.227SC..SBendtrans-122.2-3.7-178.252.80000113.9S70 Y166 V167S70-T72 PolarHBondContact O-N 3.47Å; S70-T72 VanDerWaalsContact O-N 3.14Å; S70-T72 PolarHBondContact OG-N 3.46Å; S70-T72 VanDerWaalsContact OG-N 3.12Å; S70-T72 PolarHBondContact OG-OG1 2.65Å; T72-Y166 HydrophobicContact CG2-CD1 4.28Å; T72-Y166 HydrophobicContact CG2-CE1 4.42Å; T72-Y166 VanDerWaalsContact O-CA 3.32Å; T72-Y166 WeakPolarHBondContact O-CA 3.36Å; T72-V167 PolarHBondContact O-N 2.68Å
73E97.6Very high94Very high75 Ų7539.5 Ų39.535%0.3520%0.203SC..EExtended strand (participates in β ladder)trans-126.2131.3-177.3-60.6-175.6172.500111.3I69 S70 V167I69-E73 WeakPolarHBondContact CA-O 3.34Å; I69-E73 HydrophobicContact CB-CB 4.05Å; I69-E73 WeakPolarHBondContact CB-O 3.34Å; I69-E73 HydrophobicContact CG2-CB 4.44Å; I69-E73 PolarHBondContact N-O 2.79Å; S70-E73 PolarHBondContact N-O 3.47Å; S70-E73 PolarHBondContact O-N 3.45Å; S70-E73 VanDerWaalsContact O-O 3.11Å; S70-E73 WeakPolarHBondContact OG-CB 3.36Å; S70-E73 WeakPolarHBondContact OG-CG 3.29Å; S70-E73 PolarHBondContact OG-N 2.95Å; E73-V167 VanDerWaalsContact CA-O 3.32Å; E73-V167 WeakPolarHBondContact CA-O 3.39Å; E73-V167 HydrophobicContact CG-CB 4.34Å
74F98.2Very high93.7Very high4 Ų440.8 Ų40.82%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-133.5154.1-175.6-54-90.7000110.5I27 T30 I31 V34 L66 E67 V68 V167 V168 Q169I27-F74 HydrophobicContact CG2-CE1 4.3Å; T30-F74 HydrophobicContact CG2-CE2 3.63Å; T30-F74 HydrophobicContact CG2-CZ 3.53Å; I31-F74 HydrophobicContact CD1-CE1 4.42Å; I31-F74 HydrophobicContact CG1-CD1 4.19Å; I31-F74 HydrophobicContact CG1-CE1 3.63Å; I31-F74 HydrophobicContact CG1-CZ 4.44Å; V34-F74 HydrophobicContact CG1-CD2 4.46Å; V34-F74 HydrophobicContact CG1-CE2 4.34Å; V34-F74 HydrophobicContact CG2-CD2 4.18Å; V34-F74 HydrophobicContact CG2-CE2 4.38Å; V34-F74 HydrophobicContact CG2-CG 4.36Å; L66-F74 HydrophobicContact CD1-CB 4.22Å; L66-F74 HydrophobicContact CD1-CD1 4.47Å; E67-F74 WeakPolarHBondContact O-CA 3.34Å; V68-F74 HydrophobicContact CG1-CD1 4.5Å; V68-F74 HydrophobicContact CG1-CE1 4.2Å; V68-F74 HydrophobicContact CG2-CD1 4.15Å; V68-F74 HydrophobicContact CG2-CE1 4.14Å; F74-V167 PolarHBondContact N-O 2.86Å; F74-V168 HydrophobicContact CB-CG1 4.39Å; F74-V168 HydrophobicContact CB-CG2 4.35Å; F74-V168 HydrophobicContact CD2-CG2 4.38Å; F74-V168 WeakPolarHBondContact O-CA 3.47Å; F74-Q169 PolarHBondContact O-N 2.94Å
75E97.8Very high93.4Very high9 Ų939 Ų394%0.04222%0.221CC..EExtended strand (participates in β ladder)trans-123.6129.6168.1-178.2164.7-154.800108.9L66 E67 I69 V77 Q169 T171 K213L66-E75 CarbonylContact C-O 3.52Å; L66-E75 WeakPolarHBondContact CA-O 3.28Å; E67-E75 HydrophobicContact CB-CB 4.4Å; E67-E75 PolarHBondContact N-O 3Å; E67-E75 PolarHBondContact O-N 3.48Å; I69-E75 HydrophobicContact CD1-CB 4.23Å; I69-E75 HydrophobicContact CG1-CB 4.32Å; E75-V77 HydrophobicContact CG-CG2 4.49Å; E75-Q169 CarbonylContact C-O 3.54Å; E75-Q169 WeakPolarHBondContact CA-O 3.45Å; E75-Q169 HydrophobicContact CG-CB 4.4Å; E75-T171 PolarHBondContact OE1-OG1 3.5Å; E75-K213 IonicContact OE1-NZ 3.77Å; E75-K213 PolarHBondContact OE1-NZ 3.47Å; E75-K213 IonicContact OE2-NZ 3.56Å; E75-K213 PolarHBondContact OE2-NZ 3.34Å
76V98Very high93.4Very high1 Ų138.7 Ų38.71%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-108.2111.2172.6171.60000107.4V38 L56 L66 L78 V168 Q169 I170 T171V38-V76 HydrophobicContact CG1-CG1 4.45Å; V38-V76 HydrophobicContact CG1-CG2 4.34Å; L56-V76 HydrophobicContact CB-CG1 4.41Å; L56-V76 HydrophobicContact CD1-CG1 3.91Å; L56-V76 HydrophobicContact CD1-CG2 4.22Å; L56-V76 HydrophobicContact CD2-CG1 4.28Å; L56-V76 HydrophobicContact CD2-CG2 4.45Å; L56-V76 HydrophobicContact CG-CG1 4.44Å; L66-V76 HydrophobicContact CD1-CG2 3.71Å; V76-L78 PolarHBondContact O-N 3.13Å; V76-V168 HydrophobicContact CG2-CG1 3.93Å; V76-Q169 PolarHBondContact N-O 3.39Å; V76-I170 HydrophobicContact CG1-CG2 4.48Å; V76-I170 CarbonylContact O-C 3.51Å; V76-I170 WeakPolarHBondContact O-CA 3.33Å; V76-T171 PolarHBondContact O-N 2.95Å
77V97.6Very high93.1Very high2 Ų241.6 Ų41.61%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-81.4113.8173.7-175.90000108.4S55 G65 E75 Y79 T171 A173 L211S55-V77 PolarHBondContact OG-O 2.95Å; G65-V77 PolarHBondContact O-N 3.42Å; E75-V77 HydrophobicContact CG-CG2 4.49Å; V77-Y79 HydrophobicContact CB-CE1 4.45Å; V77-Y79 HydrophobicContact CG1-CD1 3.95Å; V77-Y79 HydrophobicContact CG1-CE1 3.48Å; V77-Y79 VanDerWaalsContact CG1-CE1 3.48Å; V77-Y79 HydrophobicContact CG1-CE2 4.44Å; V77-T171 WeakPolarHBondContact CA-O 3.15Å; V77-A173 HydrophobicContact CG1-CB 3.43Å; V77-A173 VanDerWaalsContact CG1-CB 3.43Å; V77-L211 HydrophobicContact CG1-CD2 3.88Å; V77-L211 HydrophobicContact CG2-CD2 4.1Å
78L97.3Very high93Very high0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-92.2105.1178.2-177.170.2000109L42 F52 I53 V76 L80 F132 I170 T171 P172 A173L42-L78 HydrophobicContact CD1-CD1 4.17Å; L42-L78 HydrophobicContact CD2-CD1 4.27Å; L42-L78 HydrophobicContact CD2-CD2 4.12Å; F52-L78 HydrophobicContact CB-CD2 4.22Å; F52-L78 HydrophobicContact CD1-CD2 4.14Å; I53-L78 VanDerWaalsContact O-CD1 3.28Å; I53-L78 WeakPolarHBondContact O-CD1 3.16Å; V76-L78 PolarHBondContact O-N 3.13Å; L78-L80 PolarHBondContact O-N 2.63Å; L78-F132 HydrophobicContact CD2-CE2 3.6Å; L78-F132 HydrophobicContact CD2-CZ 3.59Å; L78-I170 HydrophobicContact CB-CG2 4.25Å; L78-T171 PolarHBondContact N-O 3.32Å; L78-P172 CarbonylContact O-C 3.57Å; L78-P172 WeakPolarHBondContact O-CA 3.22Å; L78-A173 PolarHBondContact O-N 2.88Å
79Y96.3Very high92.8Very high23 Ų2342.5 Ų42.59%0.0924%0.237CC..EExtended strand (participates in β ladder)trans-78.4117-176-67.3-60000111.7S55 E64 V77 A173 K175 N209 E236S55-Y79 PolarHBondContact OG-N 3Å; E64-Y79 HydrophobicContact CG-CD2 4.45Å; E64-Y79 HydrophobicContact CG-CE2 4.06Å; V77-Y79 HydrophobicContact CB-CE1 4.45Å; V77-Y79 HydrophobicContact CG1-CD1 3.95Å; V77-Y79 HydrophobicContact CG1-CE1 3.48Å; V77-Y79 VanDerWaalsContact CG1-CE1 3.48Å; V77-Y79 HydrophobicContact CG1-CE2 4.44Å; Y79-A173 WeakPolarHBondContact CA-O 3.5Å; Y79-A173 HydrophobicContact CD1-CB 4.33Å; Y79-K175 HydrophobicContact CD1-CB 3.8Å; Y79-K175 HydrophobicContact CD1-CD 4.39Å; Y79-K175 HydrophobicContact CE1-CB 3.93Å; Y79-K175 HydrophobicContact CE1-CD 4.14Å; Y79-K175 HydrophobicContact CE1-CG 4.26Å; Y79-K175 HydrophobicContact CE2-CD 4.4Å; Y79-N209 WeakPolarHBondContact CE1-OD1 3.28Å; Y79-N209 PolarHBondContact OH-ND2 3.23Å; Y79-E236 PolarHBondContact OH-OE1 3.38Å
80L95.8Very high92.6Very high10 Ų1040.3 Ų40.35%0.05223%0.226CC..  trans-79130.9175.2-54.8179000109.7F52 L78 Q82 W113 I128 P172 A173 F174F52-L80 HydrophobicContact CD1-CD2 3.71Å; F52-L80 HydrophobicContact CE1-CD2 3.96Å; L78-L80 PolarHBondContact O-N 2.63Å; L80-Q82 PolarHBondContact O-N 2.86Å; L80-W113 HydrophobicContact CB-CH2 4.22Å; L80-W113 HydrophobicContact CB-CZ2 4.06Å; L80-W113 HydrophobicContact CD1-CH2 3.9Å; L80-W113 HydrophobicContact CD1-CZ2 4.18Å; L80-W113 HydrophobicContact CD1-CZ3 4.41Å; L80-W113 HydrophobicContact CD2-CH2 4.02Å; L80-W113 HydrophobicContact CG-CH2 4.26Å; L80-I128 HydrophobicContact CD1-CG2 4.47Å; L80-P172 HydrophobicContact CD1-CB 4.21Å; L80-P172 HydrophobicContact CD2-CB 4.34Å; L80-P172 HydrophobicContact CG-CB 4.39Å; L80-A173 PolarHBondContact N-O 3.32Å; L80-F174 HydrophobicContact CB-CD1 3.85Å; L80-F174 HydrophobicContact CB-CE1 3.5Å; L80-F174 VanDerWaalsContact CB-CE1 3.5Å; L80-F174 HydrophobicContact CB-CZ 4.09Å; L80-F174 HydrophobicContact CD1-CE1 4.04Å; L80-F174 HydrophobicContact CD1-CE2 4.1Å; L80-F174 HydrophobicContact CD1-CZ 3.74Å; L80-F174 HydrophobicContact CG-CE1 4.4Å
81N86.7Confident92.2Very high122 Ų12245.2 Ų45.265%0.65225%0.252SS*.SBendtrans-61.5-40.7-168.2-74.7-26.3000115.3
82Q79.6Confident91.4Very high129 Ų12945.2 Ų45.260%0.60326%0.259SS*.  trans-139.7117.9-170.5-64.6-176.512.600111.3L80 G84 W113 F174L80-Q82 PolarHBondContact O-N 2.86Å; Q82-G84 VanDerWaalsContact C-N 3.35Å; Q82-W113 PolarHBondContact O-NE1 3.31Å; Q82-F174 WeakPolarHBondContact O-CE1 3.37Å
83M81.9Confident90.8Very high52 Ų5246.8 Ų46.826%0.25627%0.272SS..  trans-68.8-39.1161.9-176.9173.661.800110V85 F86 L100 F174M83-V85 PolarHBondContact O-N 3.01Å; M83-F86 VanDerWaalsContact CE-O 3.23Å; M83-F86 WeakPolarHBondContact CE-O 3.45Å; M83-F86 HydrophobicContact CG-CB 3.81Å; M83-F86 HydrophobicContact CG-CD2 4.23Å; M83-F86 HydrophobicContact CG-CG 4.49Å; M83-F86 WeakPolarHBondContact O-CD2 3.36Å; M83-F86 HydrophobicContact SD-CB 4.18Å; M83-L100 HydrophobicContact CG-CD1 4.18Å; M83-L100 HydrophobicContact SD-CD1 3.77Å; M83-L100 HydrophobicContact SD-CD2 3.29Å; M83-L100 WeakPolarHBondContact SD-CD2 3.39Å; M83-L100 HydrophobicContact SD-CG 4.09Å; M83-F174 HydrophobicContact CB-CD1 4.02Å; M83-F174 HydrophobicContact CB-CE1 4.13Å; M83-F174 HydrophobicContact CB-CG 4.39Å
84G85.7Confident90.4Very high60 Ų6044.4 Ų44.462%0.61926%0.262SS*.  trans75.6-121.3178.200000112.3Q82 F86Q82-G84 VanDerWaalsContact C-N 3.35Å; G84-F86 VanDerWaalsContact C-N 3.34Å; G84-F86 PolarHBondContact O-N 2.92Å
85V83.9Confident89.9Confident48 Ų4847 Ų4729%0.29128%0.279SS..SBendtrans-87.67.5-168.5-62.50000114.9M83 L102 S103 K107M83-V85 PolarHBondContact O-N 3.01Å; V85-L102 HydrophobicContact CG2-CD2 3.66Å; V85-S103 WeakPolarHBondContact O-CB 3.19Å; V85-S103 PolarHBondContact O-N 3.41Å; V85-S103 PolarHBondContact O-OG 2.86Å; V85-K107 HydrophobicContact CB-CB 4.41Å; V85-K107 HydrophobicContact CB-CD 4.03Å; V85-K107 HydrophobicContact CG1-CB 4.46Å; V85-K107 HydrophobicContact CG1-CD 3.84Å; V85-K107 HydrophobicContact CG2-CB 4.12Å
86F92.5Very high89.6Confident5 Ų546.8 Ų46.82%0.02228%0.28CS..EExtended strand (participates in β ladder)trans-85.9138.2177.6-58.6-89.2000111.1M83 G84 L100 K101 L102 S111 W113 I117 L123M83-F86 VanDerWaalsContact CE-O 3.23Å; M83-F86 WeakPolarHBondContact CE-O 3.45Å; M83-F86 HydrophobicContact CG-CB 3.81Å; M83-F86 HydrophobicContact CG-CD2 4.23Å; M83-F86 HydrophobicContact CG-CG 4.49Å; M83-F86 WeakPolarHBondContact O-CD2 3.36Å; M83-F86 HydrophobicContact SD-CB 4.18Å; G84-F86 VanDerWaalsContact C-N 3.34Å; G84-F86 PolarHBondContact O-N 2.92Å; F86-L100 HydrophobicContact CB-CB 4.11Å; F86-L100 HydrophobicContact CG-CB 4.44Å; F86-K101 CarbonylContact C-O 3.58Å; F86-K101 WeakPolarHBondContact CA-O 3.43Å; F86-L102 HydrophobicContact CD1-CD2 3.89Å; F86-L102 HydrophobicContact CD1-CG 4.07Å; F86-L102 HydrophobicContact CE1-CD2 3.47Å; F86-L102 VanDerWaalsContact CE1-CD2 3.47Å; F86-L102 HydrophobicContact CE1-CG 3.67Å; F86-L102 HydrophobicContact CE2-CD2 4.46Å; F86-L102 HydrophobicContact CZ-CD2 3.8Å; F86-L102 HydrophobicContact CZ-CG 4.41Å; F86-S111 WeakPolarHBondContact CE2-OG 3.49Å; F86-W113 HydrophobicContact CE2-CB 4.45Å; F86-I117 HydrophobicContact CE1-CD1 4.07Å; F86-I117 HydrophobicContact CE1-CG1 4.1Å; F86-I117 HydrophobicContact CZ-CD1 3.58Å; F86-I117 HydrophobicContact CZ-CG1 3.72Å; F86-L123 HydrophobicContact CD1-CB 3.88Å; F86-L123 HydrophobicContact CD2-CB 4.47Å; F86-L123 HydrophobicContact CD2-CD2 4.13Å; F86-L123 HydrophobicContact CE1-CB 3.59Å; F86-L123 HydrophobicContact CE2-CB 4.23Å; F86-L123 HydrophobicContact CE2-CD1 4.33Å; F86-L123 HydrophobicContact CE2-CD2 3.94Å; F86-L123 HydrophobicContact CE2-CG 4.4Å; F86-L123 HydrophobicContact CG-CB 4.34Å; F86-L123 HydrophobicContact CZ-CB 3.79Å; F86-L123 HydrophobicContact CZ-CD1 4Å; F86-L123 HydrophobicContact CZ-CD2 4.28Å; F86-L123 HydrophobicContact CZ-CG 4.24Å
87N92Very high89.5Confident87 Ų8746.9 Ų46.947%0.46528%0.281SS..EExtended strand (participates in β ladder)trans-87.8137.2166-66.6-33.5000109.2L100 K101 S103N87-L100 WeakPolarHBondContact O-CA 3.48Å; N87-K101 PolarHBondContact N-O 3.37Å; N87-K101 PolarHBondContact O-N 2.97Å; N87-S103 WeakPolarHBondContact ND2-CA 3.33Å
88F92Very high89.3Confident54 Ų5447 Ų4724%0.23728%0.281CS..EExtended strand (participates in β ladder)trans-70.6125.3163.2166.6-102.6000109.6D90 A98 L100 P181 F208 L210 L232F88-D90 HydrophobicContact CE1-CB 3.67Å; F88-D90 HydrophobicContact CE2-CB 4.09Å; F88-D90 HydrophobicContact CZ-CB 3.33Å; F88-A98 HydrophobicContact CD2-CB 3.9Å; F88-A98 HydrophobicContact CE2-CB 3.24Å; F88-A98 HydrophobicContact CZ-CB 4.03Å; F88-L100 HydrophobicContact CB-CD2 4.27Å; F88-P181 HydrophobicContact CE1-CB 4.28Å; F88-P181 HydrophobicContact CZ-CB 3.75Å; F88-F208 HydrophobicContact CD1-CZ 4.4Å; F88-F208 HydrophobicContact CD2-CE2 4.21Å; F88-F208 AromaticContact CD2-CZ 3.97Å; F88-F208 HydrophobicContact CD2-CZ 3.97Å; F88-F208 HydrophobicContact CE1-CZ 4.03Å; F88-F208 AromaticContact CE2-CE2 3.64Å; F88-F208 HydrophobicContact CE2-CE2 3.64Å; F88-F208 AromaticContact CE2-CZ 3.52Å; F88-F208 HydrophobicContact CE2-CZ 3.52Å; F88-F208 HydrophobicContact CG-CZ 4.37Å; F88-F208 HydrophobicContact CZ-CE1 4.48Å; F88-F208 HydrophobicContact CZ-CE2 4.03Å; 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 4.26Å; F88-L210 HydrophobicContact CE2-CD2 4.09Å; F88-L232 HydrophobicContact CE2-CD2 4.16Å
89V92.2Very high89.2Confident52 Ų5248.4 Ų48.432%0.31529%0.29SS..EExtended strand (participates in β ladder)trans-124118.2177-177.40000108.9V99 K101V89-V99 HydrophobicContact CB-CG2 3.82Å; V89-V99 HydrophobicContact CG1-CG2 4.27Å; V89-V99 PolarHBondContact N-O 3.14Å; V89-V99 PolarHBondContact O-N 2.99Å; V89-K101 HydrophobicContact CG2-CB 4.16Å
90D92Very high89.1Confident13 Ų1347.4 Ų47.47%0.0729%0.286CS..  trans-131.1100.7175173.214.1000108.3F88 G92 A98 P181 R182 S183F88-D90 HydrophobicContact CE1-CB 3.67Å; F88-D90 HydrophobicContact CE2-CB 4.09Å; F88-D90 HydrophobicContact CZ-CB 3.33Å; D90-G92 PolarHBondContact OD1-N 3.02Å; D90-A98 HydrophobicContact CB-CB 4.26Å; D90-P181 WeakPolarHBondContact OD2-CB 3.42Å; D90-R182 HydrophobicContact CB-CB 4.42Å; D90-R182 WeakPolarHBondContact O-CB 3.44Å; D90-R182 WeakPolarHBondContact O-CD 3.23Å; D90-R182 PolarHBondContact OD2-N 3.37Å; D90-S183 WeakPolarHBondContact OD1-CB 3.42Å; D90-S183 PolarHBondContact OD1-OG 2.94Å; D90-S183 VanDerWaalsContact OD2-CB 3.25Å; D90-S183 WeakPolarHBondContact OD2-CB 3.33Å; D90-S183 PolarHBondContact OD2-N 3.08Å; D90-S183 PolarHBondContact OD2-OG 3.47Å
91D85.6Confident89Confident109 Ų10950.9 Ų50.958%0.58330%0.301SS*.  trans-104.44177.962.85000112.4S93D91-S93 PolarHBondContact O-N 3.12Å; D91-S93 WeakPolarHBondContact OD1-CB 3.34Å; D91-S93 PolarHBondContact OD1-N 2.73Å; D91-S93 PolarHBondContact OD1-OG 2.86Å
92G81.2Confident89.4Confident45 Ų4545.8 Ų45.846%0.46427%0.274SS..SBendtrans72.85.2-176.600000115.3D90 L94D90-G92 PolarHBondContact OD1-N 3.02Å; G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.02Å
93S83.9Confident89.9Confident82 Ų8242.2 Ų42.257%0.57326%0.263SS*.SBendtrans-67.2-27.817862.40000113.2D91D91-S93 PolarHBondContact O-N 3.12Å; D91-S93 WeakPolarHBondContact OD1-CB 3.34Å; D91-S93 PolarHBondContact OD1-N 2.73Å; D91-S93 PolarHBondContact OD1-OG 2.86Å
94L87.4Confident90.3Very high26 Ų2642.7 Ų42.714%0.13627%0.266CS..SBendtrans-115.5104178-59.6178000110.1G92 G96 C97 V99 L218 E226 A229G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.02Å; L94-G96 PolarHBondContact O-N 3.23Å; L94-G96 VanDerWaalsContact O-N 3.1Å; L94-C97 HydrophobicContact CB-CB 3.81Å; L94-C97 HydrophobicContact CD1-CB 4.37Å; L94-C97 PolarHBondContact O-N 3.24Å; L94-C97 VanDerWaalsContact O-O 3.11Å; L94-V99 HydrophobicContact CD1-CG1 4.19Å; L94-L218 HydrophobicContact CD2-CD1 4.24Å; L94-L218 HydrophobicContact CD2-CD2 4.36Å; L94-E226 HydrophobicContact CD2-CG 3.81Å; L94-A229 HydrophobicContact CD1-CB 3.43Å; L94-A229 VanDerWaalsContact CD1-CB 3.43Å
95P88.1Confident90.3Very high57 Ų5742.5 Ų42.537%0.3726%0.264SS..THydrogen-bonded Turntrans-58.6117.9-179.7-25.935000112.3C97 S217P95-C97 VanDerWaalsContact C-N 3.29Å; P95-C97 PolarHBondContact O-N 3.49Å; P95-S217 PolarHBondContact O-OG 2.96Å
96G92.7Very high90.6Very high6 Ų650.4 Ų50.46%0.06229%0.289CS..THydrogen-bonded Turntrans77.210.8-179.800000115.1L94 L232L94-G96 PolarHBondContact O-N 3.23Å; L94-G96 VanDerWaalsContact O-N 3.1Å; G96-L232 PolarHBondContact O-N 3.21Å
97C94.2Very high90.5Very high3 Ų354.5 Ų54.52%0.0231%0.307CS..EExtended strand (participates in β ladder)trans-131.1162.9176.2-57.50000111.8L94 P95 C215 A229 W230L94-C97 HydrophobicContact CB-CB 3.81Å; L94-C97 HydrophobicContact CD1-CB 4.37Å; L94-C97 PolarHBondContact O-N 3.24Å; L94-C97 VanDerWaalsContact O-O 3.11Å; P95-C97 VanDerWaalsContact C-N 3.29Å; P95-C97 PolarHBondContact O-N 3.49Å; C97-C215 WeakPolarHBondContact SG-CB 3.48Å; C97-C215 PolarHBondContact SG-SG 3.33Å; C97-A229 HydrophobicContact CB-CB 4.01Å; C97-W230 CarbonylContact C-O 3.37Å; C97-W230 WeakPolarHBondContact CA-O 3.33Å; C97-W230 VanDerWaalsContact CB-O 3.31Å; C97-W230 WeakPolarHBondContact CB-O 3.25Å
98A94.3Very high90.5Very high3 Ų354.9 Ų54.93%0.02530%0.302CS..EExtended strand (participates in β ladder)trans-139.3168.2170.900000109.9F88 D90 L210 W230 L232F88-A98 HydrophobicContact CD2-CB 3.9Å; F88-A98 HydrophobicContact CE2-CB 3.24Å; F88-A98 HydrophobicContact CZ-CB 4.03Å; D90-A98 HydrophobicContact CB-CB 4.26Å; A98-L210 HydrophobicContact CB-CD2 4.04Å; A98-W230 PolarHBondContact N-O 2.87Å; A98-W230 PolarHBondContact O-N 2.83Å; A98-L232 HydrophobicContact CB-CD2 4.19Å
99V94.4Very high90.5Very high31 Ų3156.9 Ų56.919%0.18832%0.322CS..EExtended strand (participates in β ladder)trans-119.2149.8176.8-60.20000110.4V89 L94 Y122 A229V89-V99 HydrophobicContact CB-CG2 3.82Å; V89-V99 HydrophobicContact CG1-CG2 4.27Å; V89-V99 PolarHBondContact N-O 3.14Å; V89-V99 PolarHBondContact O-N 2.99Å; L94-V99 HydrophobicContact CD1-CG1 4.19Å; V99-Y122 HydrophobicContact CB-CD1 3.92Å; V99-Y122 HydrophobicContact CB-CE1 4.21Å; V99-Y122 HydrophobicContact CG2-CD1 3.88Å; V99-Y122 HydrophobicContact CG2-CE1 3.67Å; V99-A229 HydrophobicContact CG1-CB 4.08Å
100L95.2Very high90.4Very high1 Ų162 Ų621%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-106116.9174-68.2-176.5000108.5M83 F86 N87 F88 Y122 L123 F174 L210 W230M83-L100 HydrophobicContact CG-CD1 4.18Å; M83-L100 HydrophobicContact SD-CD1 3.77Å; M83-L100 HydrophobicContact SD-CD2 3.29Å; M83-L100 WeakPolarHBondContact SD-CD2 3.39Å; M83-L100 HydrophobicContact SD-CG 4.09Å; F86-L100 HydrophobicContact CB-CB 4.11Å; F86-L100 HydrophobicContact CG-CB 4.44Å; N87-L100 WeakPolarHBondContact O-CA 3.48Å; F88-L100 HydrophobicContact CB-CD2 4.27Å; L100-Y122 CarbonylContact O-C 3.6Å; L100-Y122 VanDerWaalsContact O-CA 3.23Å; L100-Y122 WeakPolarHBondContact O-CA 3.45Å; L100-L123 HydrophobicContact CB-CB 3.98Å; L100-L123 HydrophobicContact CD1-CD2 4.11Å; L100-L123 PolarHBondContact O-N 3.36Å; L100-F174 HydrophobicContact CD1-CD2 3.67Å; L100-F174 HydrophobicContact CD1-CE2 3.87Å; L100-L210 HydrophobicContact CD1-CD1 4.12Å; L100-L210 HydrophobicContact CD2-CD1 3.59Å; L100-L210 HydrophobicContact CG-CD1 4.07Å; L100-W230 HydrophobicContact CD1-CD2 4.24Å; L100-W230 HydrophobicContact CD1-CG 4.47Å; L100-W230 HydrophobicContact CD1-CZ2 4.19Å
101K94.4Very high90.4Very high84 Ų8462 Ų6237%0.36535%0.346SS..EExtended strand (participates in β ladder)trans-119.8136.8-174.8-169.5178.4-175.2170.30111F86 N87 V89 S103 Y122F86-K101 CarbonylContact C-O 3.58Å; F86-K101 WeakPolarHBondContact CA-O 3.43Å; N87-K101 PolarHBondContact N-O 3.37Å; N87-K101 PolarHBondContact O-N 2.97Å; V89-K101 HydrophobicContact CG2-CB 4.16Å; K101-S103 PolarHBondContact O-N 3.21Å; K101-Y122 HydrophobicContact CB-CD1 3.77Å; K101-Y122 HydrophobicContact CB-CE1 3.74Å; K101-Y122 HydrophobicContact CD-CD1 4.4Å; K101-Y122 HydrophobicContact CD-CE1 3.66Å; K101-Y122 HydrophobicContact CG-CD1 3.97Å; K101-Y122 HydrophobicContact CG-CE1 3.74Å
102L93.5Very high90.7Very high15 Ų1561.1 Ų61.18%0.07934%0.34CS..EExtended strand (participates in β ladder)trans-52.4132.5173.9-73.8173.8000110.7V85 F86 D104 R108 I117 G121V85-L102 HydrophobicContact CG2-CD2 3.66Å; F86-L102 HydrophobicContact CD1-CD2 3.89Å; F86-L102 HydrophobicContact CD1-CG 4.07Å; F86-L102 HydrophobicContact CE1-CD2 3.47Å; F86-L102 VanDerWaalsContact CE1-CD2 3.47Å; F86-L102 HydrophobicContact CE1-CG 3.67Å; F86-L102 HydrophobicContact CE2-CD2 4.46Å; F86-L102 HydrophobicContact CZ-CD2 3.8Å; F86-L102 HydrophobicContact CZ-CG 4.41Å; L102-D104 PolarHBondContact O-N 3.32Å; L102-R108 HydrophobicContact CD1-CB 3.7Å; L102-R108 HydrophobicContact CD1-CG 4.01Å; L102-I117 HydrophobicContact CD1-CD1 4.25Å; L102-I117 HydrophobicContact CD1-CG2 4.09Å; L102-I117 HydrophobicContact CD2-CD1 4.18Å; L102-I117 HydrophobicContact CG-CD1 4.47Å; L102-G121 PolarHBondContact N-O 3.4Å
103S91Very high91.3Very high53 Ų5359.1 Ų59.137%0.37132%0.319SS..SBendtrans-61.2-36.4171.250.10000112.3V85 N87 K101V85-S103 WeakPolarHBondContact O-CB 3.19Å; V85-S103 PolarHBondContact O-N 3.41Å; V85-S103 PolarHBondContact O-OG 2.86Å; N87-S103 WeakPolarHBondContact ND2-CA 3.33Å; K101-S103 PolarHBondContact O-N 3.21Å
104D90.4Very high91.9Very high62 Ų6258.2 Ų58.233%0.33231%0.31SS..  trans-144.3128.3175.2178.7-6.3000108.8L102 R106 K107L102-D104 PolarHBondContact O-N 3.32Å; D104-R106 PolarHBondContact O-N 2.97Å; D104-R106 WeakPolarHBondContact OD1-CB 3.44Å; D104-R106 WeakPolarHBondContact OD1-CG 3.11Å; D104-R106 PolarHBondContact OD1-N 3.49Å; D104-K107 HydrophobicContact CB-CD 4.18Å; D104-K107 HydrophobicContact CB-CG 4.12Å; D104-K107 WeakPolarHBondContact O-CB 3.45Å; D104-K107 PolarHBondContact O-N 3.38Å
105G86.3Confident92.2Very high56 Ų5661.1 Ų61.158%0.57732%0.323SS*.G310 helixtrans-58.5-26.5178.100000113.6K107 R108G105-K107 PolarHBondContact O-N 2.85Å; G105-R108 VanDerWaalsContact O-CB 3.25Å; G105-R108 WeakPolarHBondContact O-CB 3.48Å; G105-R108 PolarHBondContact O-N 3.4Å
106R89.6Confident92.6Very high215 Ų21558.8 Ų58.881%0.81131%0.307SS*.G310 helixtrans-67.4-21.9176.1-63173.9-178.8163.20.4113.1D104 R108D104-R106 PolarHBondContact O-N 2.97Å; D104-R106 WeakPolarHBondContact OD1-CB 3.44Å; D104-R106 WeakPolarHBondContact OD1-CG 3.11Å; D104-R106 PolarHBondContact OD1-N 3.49Å; R106-R108 PolarHBondContact O-N 2.99Å
107K89.6Confident92.7Very high90 Ų9058.6 Ų58.639%0.39130%0.304SS..G310 helixtrans-81.1-1.8177.9-61.7-179.2-179178.20113.2V85 D104 G105 S109 M110 S111V85-K107 HydrophobicContact CB-CB 4.41Å; V85-K107 HydrophobicContact CB-CD 4.03Å; V85-K107 HydrophobicContact CG1-CB 4.46Å; V85-K107 HydrophobicContact CG1-CD 3.84Å; V85-K107 HydrophobicContact CG2-CB 4.12Å; D104-K107 HydrophobicContact CB-CD 4.18Å; D104-K107 HydrophobicContact CB-CG 4.12Å; D104-K107 WeakPolarHBondContact O-CB 3.45Å; D104-K107 PolarHBondContact O-N 3.38Å; G105-K107 PolarHBondContact O-N 2.85Å; K107-S109 PolarHBondContact O-N 3.01Å; K107-M110 PolarHBondContact O-N 3.38Å; K107-M110 VanDerWaalsContact O-N 3.15Å; K107-S111 PolarHBondContact O-N 3.16Å
108R92.1Very high92.7Very high95 Ų9559.1 Ų59.136%0.35831%0.307SS..G310 helixtrans-54.8-49.3-175.8-173.2178.9-160.3-162.91.2113L102 G105 R106 M110 S111 V114 I117 T118L102-R108 HydrophobicContact CD1-CB 3.7Å; L102-R108 HydrophobicContact CD1-CG 4.01Å; G105-R108 VanDerWaalsContact O-CB 3.25Å; G105-R108 WeakPolarHBondContact O-CB 3.48Å; G105-R108 PolarHBondContact O-N 3.4Å; R106-R108 PolarHBondContact O-N 2.99Å; R108-M110 PolarHBondContact O-N 3.44Å; R108-S111 WeakPolarHBondContact O-CB 3.28Å; R108-S111 PolarHBondContact O-N 2.92Å; R108-V114 WeakPolarHBondContact O-CG2 3.42Å; R108-I117 HydrophobicContact CG-CD1 3.87Å; R108-I117 HydrophobicContact CG-CG2 4.3Å; R108-I117 PolarHBondContact NH2-O 3.05Å; R108-T118 PolarHBondContact NH2-O 2.65Å
109S92.1Very high92.6Very high96 Ų9663.8 Ų63.867%0.67135%0.346SS*.G310 helixtrans-68.6-21.6-177.6500000113.4K107K107-S109 PolarHBondContact O-N 3.01Å
110M89.9Confident92.5Very high161 Ų16166.1 Ų66.179%0.79336%0.364SS*.G310 helixtrans-90.1-4.4178.4-61.5-58.1-5700113K107 R108K107-M110 PolarHBondContact O-N 3.38Å; K107-M110 VanDerWaalsContact O-N 3.15Å; R108-M110 PolarHBondContact O-N 3.44Å
111S92.1Very high92.4Very high12 Ų1266.6 Ų66.68%0.08437%0.369CS..  trans-75.6133.4-179.3-177.40000111.2F86 K107 R108 W113 V114F86-S111 WeakPolarHBondContact CE2-OG 3.49Å; K107-S111 PolarHBondContact O-N 3.16Å; R108-S111 WeakPolarHBondContact O-CB 3.28Å; R108-S111 PolarHBondContact O-N 2.92Å; S111-W113 PolarHBondContact O-N 3.35Å; S111-W113 PolarHBondContact OG-N 2.98Å; S111-V114 WeakPolarHBondContact O-CB 3.36Å; S111-V114 PolarHBondContact O-N 3.44Å; S111-V114 VanDerWaalsContact O-N 3.11Å
112L92.4Very high92.5Very high90 Ų9066.1 Ų66.147%0.47137%0.365SS..THydrogen-bonded Turntrans-54.5-25170.6-176.563.4000112.9R51R51-L112 HydrophobicContact CG-CD1 3.99Å; R51-L112 HydrophobicContact CG-CD2 4.37Å; R51-L112 HydrophobicContact CG-CG 4.18Å; R51-L112 PolarHBondContact NH1-O 3.21Å
113W94.5Very high92.6Very high3 Ų365.5 Ų65.51%0.01136%0.362CS..THydrogen-bonded Turntrans-10721.4-175.3-52.6105.9000112.9R51 L80 Q82 F86 S111 E115 F116 L123 I128 F174R51-W113 HydrophobicContact CB-CH2 3.98Å; R51-W113 HydrophobicContact CB-CZ3 4.07Å; L80-W113 HydrophobicContact CB-CH2 4.22Å; L80-W113 HydrophobicContact CB-CZ2 4.06Å; L80-W113 HydrophobicContact CD1-CH2 3.9Å; L80-W113 HydrophobicContact CD1-CZ2 4.18Å; L80-W113 HydrophobicContact CD1-CZ3 4.41Å; L80-W113 HydrophobicContact CD2-CH2 4.02Å; L80-W113 HydrophobicContact CG-CH2 4.26Å; Q82-W113 PolarHBondContact O-NE1 3.31Å; F86-W113 HydrophobicContact CE2-CB 4.45Å; S111-W113 PolarHBondContact O-N 3.35Å; S111-W113 PolarHBondContact OG-N 2.98Å; W113-E115 PolarHBondContact O-N 2.92Å; W113-E115 VanDerWaalsContact O-N 3.09Å; W113-F116 HydrophobicContact CB-CD2 4.15Å; W113-F116 AromaticContact CE3-CD2 3.79Å; W113-F116 HydrophobicContact CE3-CD2 3.79Å; W113-F116 AromaticContact CE3-CE2 3.76Å; W113-F116 HydrophobicContact CE3-CE2 3.76Å; W113-F116 HydrophobicContact CZ3-CE2 4.28Å; W113-F116 PolarHBondContact O-N 3.01Å; W113-L123 HydrophobicContact CB-CD1 3.54Å; W113-L123 HydrophobicContact CB-CD2 4.46Å; W113-L123 HydrophobicContact CG-CD1 4.27Å; W113-L123 HydrophobicContact CG-CD2 4.39Å; W113-I128 HydrophobicContact CE3-CD1 4.24Å; W113-F174 HydrophobicContact CZ2-CE1 4.3Å; W113-F174 HydrophobicContact CZ2-CZ 4.22Å; W113-F174 AromaticContact NE1-CZ 3.9Å
114V94.9Very high92.8Very high63 Ų6363 Ų6338%0.38234%0.344SS..G310 helixtrans-49.1-40.3-17156.80000113.9R108 S111 F116 I117R108-V114 WeakPolarHBondContact O-CG2 3.42Å; S111-V114 WeakPolarHBondContact O-CB 3.36Å; S111-V114 PolarHBondContact O-N 3.44Å; S111-V114 VanDerWaalsContact O-N 3.11Å; V114-F116 PolarHBondContact O-N 2.93Å; V114-I117 PolarHBondContact O-N 3.49Å
115E95.1Very high93Very high88 Ų8860 Ų6041%0.41133%0.329SS..G310 helixtrans-66.9-20.5-178.772.4-149.7-13300113.7R51 W113R51-E115 IonicContact CZ-OE1 3.82Å; R51-E115 IonicContact CZ-OE2 3.96Å; R51-E115 VanDerWaalsContact NH1-CD 3.33Å; R51-E115 IonicContact NH1-OE1 2.74Å; R51-E115 IonicContact NH1-OE2 3.6Å; R51-E115 PolarHBondContact NH1-OE2 3.41Å; R51-E115 VanDerWaalsContact NH2-CD 3.28Å; R51-E115 IonicContact NH2-OE1 2.72Å; R51-E115 PolarHBondContact NH2-OE1 3.3Å; R51-E115 IonicContact NH2-OE2 2.8Å; R51-E115 PolarHBondContact NH2-OE2 3.49Å; R51-E115 VanDerWaalsContact NH2-OE2 3.1Å; W113-E115 PolarHBondContact O-N 2.92Å; W113-E115 VanDerWaalsContact O-N 3.09Å
116F96.1Very high93.5Very high8 Ų862 Ų624%0.03532%0.318CS..G310 helixtrans-98.52.5-178.5-48.6-57.7000113.2W113 V114 L123 S124 K127 I128 R131W113-F116 HydrophobicContact CB-CD2 4.15Å; W113-F116 AromaticContact CE3-CD2 3.79Å; W113-F116 HydrophobicContact CE3-CD2 3.79Å; W113-F116 AromaticContact CE3-CE2 3.76Å; W113-F116 HydrophobicContact CE3-CE2 3.76Å; W113-F116 HydrophobicContact CZ3-CE2 4.28Å; W113-F116 PolarHBondContact O-N 3.01Å; V114-F116 PolarHBondContact O-N 2.93Å; F116-L123 HydrophobicContact CB-CD1 3.76Å; F116-S124 WeakPolarHBondContact O-CB 3.48Å; F116-S124 PolarHBondContact O-N 3.35Å; F116-K127 HydrophobicContact CB-CB 4.14Å; F116-K127 HydrophobicContact CD1-CB 3.88Å; F116-K127 HydrophobicContact CG-CB 4.46Å; F116-I128 HydrophobicContact CB-CD1 4.48Å; F116-I128 HydrophobicContact CB-CG1 3.82Å; F116-I128 HydrophobicContact CD1-CG1 4.14Å; F116-I128 HydrophobicContact CD2-CD1 4.26Å; F116-I128 HydrophobicContact CD2-CG1 3.59Å; F116-I128 HydrophobicContact CE2-CG1 4.16Å; F116-I128 HydrophobicContact CG-CD1 4.5Å; F116-I128 HydrophobicContact CG-CG1 3.57Å; F116-R131 HydrophobicContact CE1-CB 3.59Å; F116-R131 HydrophobicContact CE1-CG 3.88Å; F116-R131 HydrophobicContact CZ-CB 3.98Å; F116-R131 HydrophobicContact CZ-CG 3.82Å
117I95.4Very high93.8Very high2 Ų255.6 Ų55.61%0.0130%0.297CS..BIsolated β-bridgetrans-83.9128.7-179.1-54.8177.2000110.2F86 L102 R108 V114 Y122 L123 K127F86-I117 HydrophobicContact CE1-CD1 4.07Å; F86-I117 HydrophobicContact CE1-CG1 4.1Å; F86-I117 HydrophobicContact CZ-CD1 3.58Å; F86-I117 HydrophobicContact CZ-CG1 3.72Å; L102-I117 HydrophobicContact CD1-CD1 4.25Å; L102-I117 HydrophobicContact CD1-CG2 4.09Å; L102-I117 HydrophobicContact CD2-CD1 4.18Å; L102-I117 HydrophobicContact CG-CD1 4.47Å; R108-I117 HydrophobicContact CG-CD1 3.87Å; R108-I117 HydrophobicContact CG-CG2 4.3Å; R108-I117 PolarHBondContact NH2-O 3.05Å; V114-I117 PolarHBondContact O-N 3.49Å; I117-Y122 CarbonylContact C-O 3.51Å; I117-Y122 VanDerWaalsContact CA-O 3.3Å; I117-Y122 WeakPolarHBondContact CA-O 3.17Å; I117-L123 HydrophobicContact CG1-CD1 4.45Å; I117-K127 PolarHBondContact O-NZ 3.37Å
118T94Very high94.1Very high13 Ų1351.3 Ų51.38%0.0828%0.278CS..  trans-68.5162.6173.968.90000111.4R108 S120 G121 Y122 D228R108-T118 PolarHBondContact NH2-O 2.65Å; T118-S120 PolarHBondContact O-N 3.42Å; T118-S120 VanDerWaalsContact O-N 3.17Å; T118-S120 PolarHBondContact OG1-OG 3.47Å; T118-S120 VanDerWaalsContact OG1-OG 3.11Å; T118-G121 PolarHBondContact O-N 3.2Å; T118-Y122 PolarHBondContact N-O 3.12Å; T118-Y122 PolarHBondContact OG1-N 3.47Å; T118-Y122 PolarHBondContact OG1-O 3.47Å; T118-D228 HydrophobicContact CG2-CB 4.48Å; T118-D228 WeakPolarHBondContact CG2-OD2 3.47Å
119A92.4Very high94.3Very high102 Ų10247.1 Ų47.184%0.84326%0.262SS*.THydrogen-bonded Turntrans-57.6-3017700000112.9G121A119-G121 VanDerWaalsContact C-N 3.3Å; A119-G121 PolarHBondContact O-N 3.35Å
120S91.8Very high94.5Very high80 Ų8045.7 Ų45.756%0.55925%0.252SS*.THydrogen-bonded Turntrans-84.24.2177.146.70000114.4T118 Y122T118-S120 PolarHBondContact O-N 3.42Å; T118-S120 VanDerWaalsContact O-N 3.17Å; T118-S120 PolarHBondContact OG1-OG 3.47Å; T118-S120 VanDerWaalsContact OG1-OG 3.11Å; S120-Y122 VanDerWaalsContact OG-CD2 3.32Å; S120-Y122 WeakPolarHBondContact OG-CD2 3.27Å
121G93.7Very high94.9Very high11 Ų1142.5 Ų42.511%0.11323%0.231CC..SBendtrans86.917.6172.500000115.5L102 T118 A119L102-G121 PolarHBondContact N-O 3.4Å; T118-G121 PolarHBondContact O-N 3.2Å; A119-G121 VanDerWaalsContact C-N 3.3Å; A119-G121 PolarHBondContact O-N 3.35Å
122Y94.7Very high95.2Very high74 Ų7441.9 Ų41.929%0.2923%0.227SC..BIsolated β-bridgetrans-93.7142.4174.9-61.1-82.5000111.4V99 L100 K101 I117 T118 S120 S124V99-Y122 HydrophobicContact CB-CD1 3.92Å; V99-Y122 HydrophobicContact CB-CE1 4.21Å; V99-Y122 HydrophobicContact CG2-CD1 3.88Å; V99-Y122 HydrophobicContact CG2-CE1 3.67Å; L100-Y122 CarbonylContact O-C 3.6Å; L100-Y122 VanDerWaalsContact O-CA 3.23Å; L100-Y122 WeakPolarHBondContact O-CA 3.45Å; K101-Y122 HydrophobicContact CB-CD1 3.77Å; K101-Y122 HydrophobicContact CB-CE1 3.74Å; K101-Y122 HydrophobicContact CD-CD1 4.4Å; K101-Y122 HydrophobicContact CD-CE1 3.66Å; K101-Y122 HydrophobicContact CG-CD1 3.97Å; K101-Y122 HydrophobicContact CG-CE1 3.74Å; I117-Y122 CarbonylContact C-O 3.51Å; I117-Y122 VanDerWaalsContact CA-O 3.3Å; I117-Y122 WeakPolarHBondContact CA-O 3.17Å; T118-Y122 PolarHBondContact N-O 3.12Å; T118-Y122 PolarHBondContact OG1-N 3.47Å; T118-Y122 PolarHBondContact OG1-O 3.47Å; S120-Y122 VanDerWaalsContact OG-CD2 3.32Å; S120-Y122 WeakPolarHBondContact OG-CD2 3.27Å; Y122-S124 PolarHBondContact O-N 2.85Å
123L95.9Very high95.4Very high1 Ų139.9 Ų39.91%0.00522%0.215CC..BIsolated β-bridgetrans-78.9112.3169.2-176.360.7000109.6F86 L100 W113 F116 I117 A125 I128 F174 W230F86-L123 HydrophobicContact CD1-CB 3.88Å; F86-L123 HydrophobicContact CD2-CB 4.47Å; F86-L123 HydrophobicContact CD2-CD2 4.13Å; F86-L123 HydrophobicContact CE1-CB 3.59Å; F86-L123 HydrophobicContact CE2-CB 4.23Å; F86-L123 HydrophobicContact CE2-CD1 4.33Å; F86-L123 HydrophobicContact CE2-CD2 3.94Å; F86-L123 HydrophobicContact CE2-CG 4.4Å; F86-L123 HydrophobicContact CG-CB 4.34Å; F86-L123 HydrophobicContact CZ-CB 3.79Å; F86-L123 HydrophobicContact CZ-CD1 4Å; F86-L123 HydrophobicContact CZ-CD2 4.28Å; F86-L123 HydrophobicContact CZ-CG 4.24Å; L100-L123 HydrophobicContact CB-CB 3.98Å; L100-L123 HydrophobicContact CD1-CD2 4.11Å; L100-L123 PolarHBondContact O-N 3.36Å; W113-L123 HydrophobicContact CB-CD1 3.54Å; W113-L123 HydrophobicContact CB-CD2 4.46Å; W113-L123 HydrophobicContact CG-CD1 4.27Å; W113-L123 HydrophobicContact CG-CD2 4.39Å; F116-L123 HydrophobicContact CB-CD1 3.76Å; I117-L123 HydrophobicContact CG1-CD1 4.45Å; L123-A125 PolarHBondContact O-N 3.49Å; L123-I128 HydrophobicContact CD1-CD1 4.02Å; L123-I128 HydrophobicContact CD2-CD1 4.14Å; L123-I128 HydrophobicContact CG-CD1 4.07Å; L123-F174 HydrophobicContact CD2-CE2 3.71Å; L123-F174 HydrophobicContact CD2-CZ 4.02Å; L123-W230 HydrophobicContact CD2-CZ2 3.95Å; L123-W230 HydrophobicContact CG-CZ2 4.04Å; L123-W230 PolarHBondContact O-NE1 2.88Å
124S95.6Very high95.6Very high0 Ų042.8 Ų42.80%023%0.233CC..  trans-80.1115.9-175.3168.90000112F116 Y122 R126 K127 I128 D228F116-S124 WeakPolarHBondContact O-CB 3.48Å; F116-S124 PolarHBondContact O-N 3.35Å; Y122-S124 PolarHBondContact O-N 2.85Å; S124-R126 PolarHBondContact OG-N 3.45Å; S124-K127 PolarHBondContact O-N 3.46Å; S124-K127 WeakPolarHBondContact OG-CG 3.38Å; S124-K127 PolarHBondContact OG-N 3.13Å; S124-I128 PolarHBondContact O-N 3.16Å; S124-D228 WeakPolarHBondContact CB-OD1 3.33Å; S124-D228 PolarHBondContact OG-OD1 2.81Å
125A95.8Very high95.8Very high0 Ų039.8 Ų39.80%022%0.215CC..Hα-helixtrans-55.9-49.1169.400000111.4L123 K127 I128 R129 S212 D228 A229 W230L123-A125 PolarHBondContact O-N 3.49Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 3.5Å; A125-I128 PolarHBondContact O-N 3.42Å; A125-R129 WeakPolarHBondContact O-CB 3.33Å; A125-R129 PolarHBondContact O-N 2.94Å; A125-S212 PolarHBondContact O-OG 2.93Å; A125-D228 PolarHBondContact N-O 2.83Å; A125-D228 VanDerWaalsContact N-O 3.11Å; A125-A229 WeakPolarHBondContact CB-O 3.33Å; A125-W230 HydrophobicContact CB-CD2 3.92Å; A125-W230 HydrophobicContact CB-CE3 4.42Å; A125-W230 HydrophobicContact CB-CG 4.11Å; A125-W230 HydrophobicContact CB-CZ2 4.32Å
126R95Very high95.9Very high97 Ų9735.6 Ų35.637%0.36620%0.196SC..Hα-helixtrans-56.1-43.1177.6171.1-176.158.4171.2-4.9113.2S124 R129 S130 S227 D228S124-R126 PolarHBondContact OG-N 3.45Å; R126-R129 PolarHBondContact O-N 3.47Å; R126-S130 VanDerWaalsContact O-CB 3.28Å; R126-S130 WeakPolarHBondContact O-CB 3.43Å; R126-S130 PolarHBondContact O-N 3.42Å; R126-S227 WeakPolarHBondContact CB-O 3.47Å; R126-S227 PolarHBondContact N-O 3.5Å; R126-S227 PolarHBondContact NE-OG 3.18Å; R126-S227 VanDerWaalsContact NE-OG 3.15Å; R126-S227 PolarHBondContact NH1-OG 3.19Å; R126-S227 PolarHBondContact NH2-OG 2.87Å; R126-D228 IonicContact CZ-OD1 3.32Å; R126-D228 IonicContact NE-OD1 3.1Å; R126-D228 PolarHBondContact NE-OD1 2.8Å; R126-D228 IonicContact NH2-OD1 2.82Å; R126-D228 PolarHBondContact NH2-OD1 2.94Å; R126-D228 IonicContact NH2-OD2 3.52Å
127K96.2Very high96Very high81 Ų8136.9 Ų36.935%0.35221%0.208SC..Hα-helixtrans-65.4-42.2179.4-72.2-175.6176.3-171.70111.8F116 I117 S124 A125 S130 R131F116-K127 HydrophobicContact CB-CB 4.14Å; F116-K127 HydrophobicContact CD1-CB 3.88Å; F116-K127 HydrophobicContact CG-CB 4.46Å; I117-K127 PolarHBondContact O-NZ 3.37Å; S124-K127 PolarHBondContact O-N 3.46Å; S124-K127 WeakPolarHBondContact OG-CG 3.38Å; S124-K127 PolarHBondContact OG-N 3.13Å; A125-K127 VanDerWaalsContact C-N 3.34Å; A125-K127 PolarHBondContact O-N 3.5Å; K127-S130 PolarHBondContact O-N 3.26Å; K127-R131 PolarHBondContact O-N 3.02Å
128I97Very high96.1Very high0 Ų040.6 Ų40.60%023%0.225CC..Hα-helixtrans-60.9-51173.6-72.9178000110.3F52 L80 W113 F116 L123 S124 A125 S130 R131 F132 P172 W230F52-I128 HydrophobicContact CE1-CG2 4.08Å; F52-I128 HydrophobicContact CZ-CG2 4.2Å; L80-I128 HydrophobicContact CD1-CG2 4.47Å; W113-I128 HydrophobicContact CE3-CD1 4.24Å; F116-I128 HydrophobicContact CB-CD1 4.48Å; F116-I128 HydrophobicContact CB-CG1 3.82Å; F116-I128 HydrophobicContact CD1-CG1 4.14Å; F116-I128 HydrophobicContact CD2-CD1 4.26Å; F116-I128 HydrophobicContact CD2-CG1 3.59Å; F116-I128 HydrophobicContact CE2-CG1 4.16Å; F116-I128 HydrophobicContact CG-CD1 4.5Å; F116-I128 HydrophobicContact CG-CG1 3.57Å; L123-I128 HydrophobicContact CD1-CD1 4.02Å; L123-I128 HydrophobicContact CD2-CD1 4.14Å; L123-I128 HydrophobicContact CG-CD1 4.07Å; S124-I128 PolarHBondContact O-N 3.16Å; A125-I128 PolarHBondContact O-N 3.42Å; I128-S130 VanDerWaalsContact C-N 3.33Å; I128-S130 PolarHBondContact O-N 3.32Å; I128-R131 PolarHBondContact O-N 2.92Å; I128-F132 VanDerWaalsContact O-CB 3.31Å; I128-F132 WeakPolarHBondContact O-CB 3.38Å; I128-F132 PolarHBondContact O-N 3.42Å; I128-P172 HydrophobicContact CG2-CB 4.1Å; I128-P172 HydrophobicContact CG2-CG 4.44Å; I128-W230 HydrophobicContact CD1-CH2 3.74Å; I128-W230 HydrophobicContact CD1-CZ2 3.79Å
129R96.7Very high96.3Very high8 Ų840 Ų403%0.0322%0.221CC..Hα-helixtrans-56.6-46.1178.8-175.3169.259.2-101.43.6112A125 R126 F132 Q133 S156 S212A125-R129 WeakPolarHBondContact O-CB 3.33Å; A125-R129 PolarHBondContact O-N 2.94Å; R126-R129 PolarHBondContact O-N 3.47Å; R129-F132 PolarHBondContact O-N 3.11Å; R129-Q133 WeakPolarHBondContact O-CB 3.45Å; R129-Q133 PolarHBondContact O-N 2.74Å; R129-S156 WeakPolarHBondContact CD-O 3.45Å; R129-S156 VanDerWaalsContact CG-O 3.3Å; R129-S156 WeakPolarHBondContact CG-O 3.25Å; R129-S156 PolarHBondContact NE-O 3.01Å; R129-S156 PolarHBondContact NE-OG 2.99Å; R129-S212 WeakPolarHBondContact CB-OG 3.21Å; R129-S212 WeakPolarHBondContact CD-O 3.42Å; R129-S212 VanDerWaalsContact NH1-C 3.29Å; R129-S212 PolarHBondContact NH1-O 2.78Å
130S96.4Very high96.6Very high65 Ų6535.5 Ų35.546%0.45518%0.183SC..Hα-helixtrans-62.7-45.4179.9176.60000112R126 K127 I128 Q133 T134R126-S130 VanDerWaalsContact O-CB 3.28Å; R126-S130 WeakPolarHBondContact O-CB 3.43Å; R126-S130 PolarHBondContact O-N 3.42Å; K127-S130 PolarHBondContact O-N 3.26Å; I128-S130 VanDerWaalsContact C-N 3.33Å; I128-S130 PolarHBondContact O-N 3.32Å; S130-Q133 WeakPolarHBondContact O-CB 3.35Å; S130-Q133 PolarHBondContact O-N 2.86Å; S130-T134 PolarHBondContact O-N 3.15Å; S130-T134 PolarHBondContact O-OG1 3.27Å
131R97.5Very high96.8Very high94 Ų9437.4 Ų37.436%0.35519%0.187SC..Hα-helixtrans-62.8-44.4175.1176.657.7174.1174.42.6111.6F116 K127 I128 Q133 T134 L135F116-R131 HydrophobicContact CE1-CB 3.59Å; F116-R131 HydrophobicContact CE1-CG 3.88Å; F116-R131 HydrophobicContact CZ-CB 3.98Å; F116-R131 HydrophobicContact CZ-CG 3.82Å; K127-R131 PolarHBondContact O-N 3.02Å; I128-R131 PolarHBondContact O-N 2.92Å; R131-Q133 VanDerWaalsContact C-N 3.32Å; R131-Q133 PolarHBondContact O-N 2.91Å; R131-T134 PolarHBondContact O-N 3.36Å; R131-L135 HydrophobicContact CG-CD1 4.18Å; R131-L135 WeakPolarHBondContact O-CG 3.37Å; R131-L135 PolarHBondContact O-N 2.86Å; R131-L135 VanDerWaalsContact O-N 3.12Å
132F98Very high97Very high0 Ų042.6 Ų42.60%021%0.207CC..Hα-helixtrans-61.6-40.1177.7-173.2-118.1000111.8L42 V45 F52 L78 I128 R129 T134 L135 V136 V158 I170 P172L42-F132 HydrophobicContact CD2-CE2 4.43Å; L42-F132 HydrophobicContact CD2-CZ 4.01Å; V45-F132 HydrophobicContact CG1-CD2 4.31Å; V45-F132 HydrophobicContact CG1-CE2 3.94Å; F52-F132 HydrophobicContact CB-CD2 4.34Å; F52-F132 HydrophobicContact CB-CE2 4.15Å; F52-F132 AromaticContact CD1-CD2 3.52Å; F52-F132 HydrophobicContact CD1-CD2 3.52Å; F52-F132 AromaticContact CD1-CE2 3.9Å; F52-F132 HydrophobicContact CD1-CE2 3.9Å; F52-F132 HydrophobicContact CD1-CG 4.34Å; F52-F132 HydrophobicContact CD2-CD2 4.02Å; F52-F132 HydrophobicContact CE1-CB 4.1Å; F52-F132 AromaticContact CE1-CD2 3.71Å; F52-F132 HydrophobicContact CE1-CD2 3.71Å; F52-F132 HydrophobicContact CE1-CE2 4.49Å; F52-F132 HydrophobicContact CE1-CG 4.13Å; F52-F132 HydrophobicContact CE2-CD2 4.21Å; F52-F132 AromaticContact CG-CD2 3.71Å; F52-F132 HydrophobicContact CG-CD2 3.71Å; F52-F132 HydrophobicContact CG-CE2 4Å; F52-F132 HydrophobicContact CZ-CB 4Å; F52-F132 HydrophobicContact CZ-CD2 4.07Å; F52-F132 HydrophobicContact CZ-CG 4.43Å; L78-F132 HydrophobicContact CD2-CE2 3.6Å; L78-F132 HydrophobicContact CD2-CZ 3.59Å; I128-F132 VanDerWaalsContact O-CB 3.31Å; I128-F132 WeakPolarHBondContact O-CB 3.38Å; I128-F132 PolarHBondContact O-N 3.42Å; R129-F132 PolarHBondContact O-N 3.11Å; F132-T134 PolarHBondContact O-N 3.02Å; F132-L135 PolarHBondContact O-N 3.42Å; F132-V136 HydrophobicContact CD1-CG2 4.2Å; F132-V136 HydrophobicContact CD2-CG2 4.19Å; F132-V136 HydrophobicContact CE1-CG2 3.85Å; F132-V136 HydrophobicContact CE2-CG2 3.86Å; F132-V136 HydrophobicContact CG-CG2 4.34Å; F132-V136 HydrophobicContact CZ-CG2 3.66Å; F132-V136 WeakPolarHBondContact O-CB 3.45Å; F132-V136 VanDerWaalsContact O-CG2 3.26Å; F132-V136 WeakPolarHBondContact O-CG2 3.4Å; F132-V136 PolarHBondContact O-N 3.41Å; F132-V158 HydrophobicContact CD1-CB 4.11Å; F132-V158 HydrophobicContact CD1-CG1 4.16Å; F132-V158 HydrophobicContact CD1-CG2 3.59Å; F132-V158 HydrophobicContact CE1-CB 4.21Å; F132-V158 HydrophobicContact CE1-CG1 3.96Å; F132-V158 HydrophobicContact CE1-CG2 4.19Å; F132-V158 HydrophobicContact CG-CG2 4.48Å; F132-I170 HydrophobicContact CE1-CB 4.01Å; F132-I170 HydrophobicContact CE1-CG2 3.66Å; F132-I170 HydrophobicContact CZ-CB 4.42Å; F132-I170 HydrophobicContact CZ-CG2 3.71Å; F132-P172 HydrophobicContact CB-CG 4.1Å; F132-P172 HydrophobicContact CD1-CG 3.35Å; F132-P172 HydrophobicContact CD2-CG 4.32Å; F132-P172 HydrophobicContact CE1-CG 3.8Å; F132-P172 HydrophobicContact CG-CG 3.68Å; F132-P172 HydrophobicContact CZ-CG 4.44Å
133Q97.7Very high97.1Very high48 Ų4839.1 Ų39.122%0.22419%0.193CC..Hα-helixtrans-58.6-44.5175.3-168.8179.822.500112.2R129 S130 R131 V136 A137 M151 T155 V158R129-Q133 WeakPolarHBondContact O-CB 3.45Å; R129-Q133 PolarHBondContact O-N 2.74Å; S130-Q133 WeakPolarHBondContact O-CB 3.35Å; S130-Q133 PolarHBondContact O-N 2.86Å; R131-Q133 VanDerWaalsContact C-N 3.32Å; R131-Q133 PolarHBondContact O-N 2.91Å; Q133-V136 PolarHBondContact O-N 2.84Å; Q133-A137 WeakPolarHBondContact O-CB 3.28Å; Q133-A137 PolarHBondContact O-N 3.4Å; Q133-M151 HydrophobicContact CG-CE 3.79Å; Q133-T155 PolarHBondContact NE2-O 3.09Å; Q133-V158 HydrophobicContact CB-CG2 3.73Å; Q133-V158 HydrophobicContact CG-CG2 4.2Å
134T97.7Very high97.2Very high63 Ų6343.4 Ų43.439%0.38722%0.223SC..Hα-helixtrans-62.8-44.3176.3-54.90000111.9S130 R131 F132 A137 Q138S130-T134 PolarHBondContact O-N 3.15Å; S130-T134 PolarHBondContact O-OG1 3.27Å; R131-T134 PolarHBondContact O-N 3.36Å; F132-T134 PolarHBondContact O-N 3.02Å; T134-A137 PolarHBondContact O-N 2.68Å; T134-Q138 WeakPolarHBondContact O-CG 3.36Å; T134-Q138 PolarHBondContact O-N 2.82Å; T134-Q138 VanDerWaalsContact O-N 3.12Å
135L98.3Very high97.3Very high1 Ų145.9 Ų45.91%0.00523%0.233CC..Hα-helixtrans-62.8-43.4178.4-69.3166.4000111.5V45 Q48 E49 F52 R131 F132 Q138 A139V45-L135 HydrophobicContact CG1-CB 4.07Å; V45-L135 HydrophobicContact CG1-CD1 4.43Å; V45-L135 HydrophobicContact CG2-CB 4.45Å; Q48-L135 HydrophobicContact CB-CD2 3.91Å; E49-L135 HydrophobicContact CB-CD1 3.56Å; E49-L135 HydrophobicContact CB-CD2 4.09Å; E49-L135 HydrophobicContact CB-CG 4.49Å; E49-L135 HydrophobicContact CG-CD1 3.86Å; F52-L135 HydrophobicContact CD2-CD1 3.64Å; F52-L135 HydrophobicContact CE2-CD1 3.57Å; R131-L135 HydrophobicContact CG-CD1 4.18Å; R131-L135 WeakPolarHBondContact O-CG 3.37Å; R131-L135 PolarHBondContact O-N 2.86Å; R131-L135 VanDerWaalsContact O-N 3.12Å; F132-L135 PolarHBondContact O-N 3.42Å; L135-Q138 PolarHBondContact O-N 2.86Å; L135-A139 WeakPolarHBondContact O-CB 3.34Å; L135-A139 PolarHBondContact O-N 2.95Å
136V98.4Very high97.3Very high0 Ų052.3 Ų52.30%026%0.257CS..Hα-helixtrans-67.4-38.9179.2174.80000111.1V41 V45 F132 Q133 Q138 A139 V140 M151 V158 L160V41-V136 HydrophobicContact CG1-CG1 3.98Å; V45-V136 HydrophobicContact CG2-CB 4.42Å; V45-V136 HydrophobicContact CG2-CG2 3.72Å; F132-V136 HydrophobicContact CD1-CG2 4.2Å; F132-V136 HydrophobicContact CD2-CG2 4.19Å; F132-V136 HydrophobicContact CE1-CG2 3.85Å; F132-V136 HydrophobicContact CE2-CG2 3.86Å; F132-V136 HydrophobicContact CG-CG2 4.34Å; F132-V136 HydrophobicContact CZ-CG2 3.66Å; F132-V136 WeakPolarHBondContact O-CB 3.45Å; F132-V136 VanDerWaalsContact O-CG2 3.26Å; F132-V136 WeakPolarHBondContact O-CG2 3.4Å; F132-V136 PolarHBondContact O-N 3.41Å; Q133-V136 PolarHBondContact O-N 2.84Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 3.45Å; V136-A139 PolarHBondContact O-N 3.37Å; V136-V140 HydrophobicContact CG1-CG2 4.39Å; V136-V140 VanDerWaalsContact O-CG2 3.31Å; V136-V140 WeakPolarHBondContact O-CG2 3.33Å; V136-V140 PolarHBondContact O-N 2.71Å; V136-M151 HydrophobicContact CB-SD 4.43Å; V136-M151 HydrophobicContact CG1-CE 4.49Å; V136-M151 HydrophobicContact CG1-SD 3.71Å; V136-V158 HydrophobicContact CB-CG1 3.84Å; V136-V158 HydrophobicContact CG1-CG1 3.71Å; V136-V158 HydrophobicContact CG2-CG1 3.8Å; V136-L160 HydrophobicContact CG1-CD2 3.87Å
137A97.9Very high97.4Very high35 Ų3553.7 Ų53.729%0.28927%0.272SS..Hα-helixtrans-58.8-46.4173.700000111.6Q133 T134 A139 V140 D141 M151Q133-A137 WeakPolarHBondContact O-CB 3.28Å; Q133-A137 PolarHBondContact O-N 3.4Å; T134-A137 PolarHBondContact O-N 2.68Å; A137-A139 VanDerWaalsContact C-N 3.33Å; A137-A139 PolarHBondContact O-N 3.12Å; A137-V140 PolarHBondContact O-N 2.71Å; A137-D141 PolarHBondContact O-N 3.25Å; A137-M151 HydrophobicContact CB-CG 4.04Å
138Q98Very high97.5Very high80 Ų8052 Ų5237%0.37427%0.268SS..Hα-helixtrans-65.6-35.4176.3-67.8171.2-5.800112.8Q48 T134 L135 V136 K142Q48-Q138 VanDerWaalsContact OE1-OE1 3.05Å; T134-Q138 WeakPolarHBondContact O-CG 3.36Å; T134-Q138 PolarHBondContact O-N 2.82Å; T134-Q138 VanDerWaalsContact O-N 3.12Å; L135-Q138 PolarHBondContact O-N 2.86Å; V136-Q138 VanDerWaalsContact C-N 3.34Å; V136-Q138 PolarHBondContact O-N 3.45Å; Q138-K142 WeakPolarHBondContact O-CG 3.44Å
139A98.2Very high97.6Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-68.7-38.9177.200000112.3V41 E44 V45 L135 V136 A137 D141 K142 C143V41-A139 HydrophobicContact CG1-CB 4.01Å; E44-A139 HydrophobicContact CB-CB 3.64Å; V45-A139 HydrophobicContact CG2-CB 3.58Å; L135-A139 WeakPolarHBondContact O-CB 3.34Å; L135-A139 PolarHBondContact O-N 2.95Å; V136-A139 PolarHBondContact O-N 3.37Å; A137-A139 VanDerWaalsContact C-N 3.33Å; A137-A139 PolarHBondContact O-N 3.12Å; A139-D141 VanDerWaalsContact C-N 3.27Å; A139-D141 PolarHBondContact O-N 3.31Å; A139-K142 PolarHBondContact O-N 3.08Å; A139-K142 VanDerWaalsContact O-N 3.12Å; A139-C143 WeakPolarHBondContact O-CB 3.46Å; A139-C143 PolarHBondContact O-N 2.79Å
140V98.3Very high97.6Very high7 Ų756.8 Ų56.84%0.04229%0.289CS..Hα-helixtrans-58-40.5176.5165.20000111.3V41 V136 A137 K142 C143 R146 V149 M151 L160V41-V140 HydrophobicContact CG1-CG2 4.25Å; V41-V140 HydrophobicContact CG2-CG2 4.32Å; V136-V140 HydrophobicContact CG1-CG2 4.39Å; V136-V140 VanDerWaalsContact O-CG2 3.31Å; V136-V140 WeakPolarHBondContact O-CG2 3.33Å; V136-V140 PolarHBondContact O-N 2.71Å; A137-V140 PolarHBondContact O-N 2.71Å; V140-K142 VanDerWaalsContact C-N 3.3Å; V140-K142 PolarHBondContact O-N 2.87Å; V140-C143 PolarHBondContact O-SG 3.41Å; V140-R146 WeakPolarHBondContact O-CB 3.42Å; V140-V149 HydrophobicContact CG1-CG1 4.07Å; V140-V149 WeakPolarHBondContact CG1-O 3.33Å; V140-V149 HydrophobicContact CG2-CG2 4.38Å; V140-M151 HydrophobicContact CG2-CG 4.41Å; V140-M151 HydrophobicContact CG2-SD 4.37Å; V140-L160 HydrophobicContact CG2-CD2 3.6Å
141D96.8Very high97.7Very high120 Ų12056 Ų5664%0.64228%0.279SS*.Hα-helixtrans-68.3-27.8178.7-66.5-29.3000113.4A137 A139 R146A137-D141 PolarHBondContact O-N 3.25Å; A139-D141 VanDerWaalsContact C-N 3.27Å; A139-D141 PolarHBondContact O-N 3.31Å; D141-R146 WeakPolarHBondContact O-CD 3.49Å
142K96.7Very high97.7Very high121 Ų12152.5 Ų52.553%0.52627%0.268SS..Hα-helixtrans-96.5-23.7-175.2-66.6173.5-174.91720113.7E44 Q138 A139 V140E44-K142 HydrophobicContact CG-CB 4.42Å; Q138-K142 WeakPolarHBondContact O-CG 3.44Å; A139-K142 PolarHBondContact O-N 3.08Å; A139-K142 VanDerWaalsContact O-N 3.12Å; V140-K142 VanDerWaalsContact C-N 3.3Å; V140-K142 PolarHBondContact O-N 2.87Å
143C97.1Very high97.5Very high1 Ų155.9 Ų55.91%0.00730%0.296CS..SBendtrans-67.7161.4-173.578.30000112.7D40 V41 E44 A139 V140 Y145 R146D40-C143 WeakPolarHBondContact OD2-CB 3.38Å; V41-C143 HydrophobicContact CG2-CB 4.23Å; E44-C143 HydrophobicContact CG-CB 4.25Å; A139-C143 WeakPolarHBondContact O-CB 3.46Å; A139-C143 PolarHBondContact O-N 2.79Å; V140-C143 PolarHBondContact O-SG 3.41Å; C143-Y145 PolarHBondContact O-N 3.05Å; C143-Y145 VanDerWaalsContact O-N 3.16Å; C143-R146 PolarHBondContact O-N 3.46Å; C143-R146 PolarHBondContact SG-N 3.36Å; C143-R146 VanDerWaalsContact SG-N 3.44Å
144S97.4Very high97.2Very high90 Ų9062 Ų6263%0.62933%0.33SS*.THydrogen-bonded Turntrans-65.3-18.1179.2-53.40000112.7D40D40-S144 VanDerWaalsContact OD2-CB 3.29Å; D40-S144 WeakPolarHBondContact OD2-CB 3.49Å; D40-S144 PolarHBondContact OD2-N 3.09Å; D40-S144 PolarHBondContact OD2-OG 3.11Å
145Y97.7Very high97Very high53 Ų5360.8 Ų60.821%0.20832%0.323CS..THydrogen-bonded Turntrans-105.513.3-177-62.7-81.6000113.9K36 V37 D40 C143 D147 V148 V149K36-Y145 WeakPolarHBondContact CD-OH 3.32Å; K36-Y145 WeakPolarHBondContact CE-OH 3.49Å; K36-Y145 WeakPolarHBondContact CG-OH 3.36Å; K36-Y145 PolarHBondContact NZ-OH 3.21Å; V37-Y145 HydrophobicContact CB-CD2 4.49Å; V37-Y145 HydrophobicContact CB-CG 4.39Å; V37-Y145 HydrophobicContact CG1-CG 4.23Å; V37-Y145 HydrophobicContact CG2-CD1 3.86Å; V37-Y145 HydrophobicContact CG2-CD2 4.33Å; V37-Y145 HydrophobicContact CG2-CE1 4.24Å; V37-Y145 HydrophobicContact CG2-CG 3.91Å; D40-Y145 HydrophobicContact CB-CD2 3.7Å; D40-Y145 HydrophobicContact CB-CE2 3.73Å; D40-Y145 WeakPolarHBondContact OD2-CD2 2.96Å; C143-Y145 PolarHBondContact O-N 3.05Å; C143-Y145 VanDerWaalsContact O-N 3.16Å; Y145-D147 PolarHBondContact O-N 3.47Å; Y145-V148 HydrophobicContact CD1-CG2 4.06Å; Y145-V148 HydrophobicContact CG-CG2 4.42Å; Y145-V148 VanDerWaalsContact O-CG2 3.25Å; Y145-V148 WeakPolarHBondContact O-CG2 3.43Å; Y145-V148 PolarHBondContact O-N 2.67Å; Y145-V149 WeakPolarHBondContact O-CG1 3.27Å; Y145-V149 PolarHBondContact O-N 3.23Å
146R96.6Very high96.6Very high134 Ų13462.6 Ų62.651%0.50634%0.335SS..THydrogen-bonded Turntrans-50.4-28.9-176.969.4-177.5-176.6-80.9-9.5114.8V140 D141 C143 V148V140-R146 WeakPolarHBondContact O-CB 3.42Å; D141-R146 WeakPolarHBondContact O-CD 3.49Å; C143-R146 PolarHBondContact O-N 3.46Å; C143-R146 PolarHBondContact SG-N 3.36Å; C143-R146 VanDerWaalsContact SG-N 3.44Å; R146-V148 VanDerWaalsContact C-N 3.29Å; R146-V148 PolarHBondContact O-N 3.13Å
147D97.5Very high96.5Very high127 Ų12763 Ų6368%0.67934%0.338SS*.THydrogen-bonded Turntrans-75-18.9179.1-58.9-37.6000113.1Y145Y145-D147 PolarHBondContact O-N 3.47Å
148V97.9Very high96.5Very high45 Ų4561.4 Ų61.427%0.27332%0.324SS..THydrogen-bonded Turntrans-119.6-6.5-177.2-58.50000113.8Y145 R146 I162 R163Y145-V148 HydrophobicContact CD1-CG2 4.06Å; Y145-V148 HydrophobicContact CG-CG2 4.42Å; Y145-V148 VanDerWaalsContact O-CG2 3.25Å; Y145-V148 WeakPolarHBondContact O-CG2 3.43Å; Y145-V148 PolarHBondContact O-N 2.67Å; R146-V148 VanDerWaalsContact C-N 3.29Å; R146-V148 PolarHBondContact O-N 3.13Å; V148-I162 CarbonylContact O-C 3.34Å; V148-I162 VanDerWaalsContact O-CA 3.32Å; V148-I162 WeakPolarHBondContact O-CA 3.38Å; V148-R163 HydrophobicContact CB-CG 3.85Å; V148-R163 HydrophobicContact CG1-CG 4.2Å; V148-R163 PolarHBondContact O-N 3.4Å
149V98.5Very high96.5Very high1 Ų160.5 Ų60.51%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-121.2134.4178.564.60000110.6V37 V41 V140 Y145 L160 R161 I162V37-V149 HydrophobicContact CG1-CB 3.87Å; V37-V149 HydrophobicContact CG1-CG1 4.22Å; V37-V149 HydrophobicContact CG1-CG2 4.05Å; V41-V149 HydrophobicContact CG2-CG1 4.39Å; V140-V149 HydrophobicContact CG1-CG1 4.07Å; V140-V149 WeakPolarHBondContact CG1-O 3.33Å; V140-V149 HydrophobicContact CG2-CG2 4.38Å; Y145-V149 WeakPolarHBondContact O-CG1 3.27Å; Y145-V149 PolarHBondContact O-N 3.23Å; V149-L160 HydrophobicContact CG2-CB 4Å; V149-L160 HydrophobicContact CG2-CD1 4.05Å; V149-L160 HydrophobicContact CG2-CD2 4.13Å; V149-L160 HydrophobicContact CG2-CG 4.29Å; V149-R161 WeakPolarHBondContact CA-O 3.4Å; V149-I162 HydrophobicContact CG2-CG1 4.05Å
150K98.1Very high96.5Very high108 Ų10860.5 Ų60.547%0.4732%0.319SS..EExtended strand (participates in β ladder)trans-137.2150.6178.2-62.3175.3-174.5163.60109.9L160 R161K150-L160 CarbonylContact O-C 3.49Å; K150-L160 WeakPolarHBondContact O-CA 3.44Å; K150-R161 PolarHBondContact N-O 3.23Å; K150-R161 PolarHBondContact O-N 2.98Å
151M97.8Very high96.6Very high47 Ų4764.3 Ų64.323%0.23233%0.332CS..EExtended strand (participates in β ladder)trans-66.5139.6166.4-70.9-65.7-72.700110.2Q133 V136 A137 V140 L160Q133-M151 HydrophobicContact CG-CE 3.79Å; V136-M151 HydrophobicContact CB-SD 4.43Å; V136-M151 HydrophobicContact CG1-CE 4.49Å; V136-M151 HydrophobicContact CG1-SD 3.71Å; A137-M151 HydrophobicContact CB-CG 4.04Å; V140-M151 HydrophobicContact CG2-CG 4.41Å; V140-M151 HydrophobicContact CG2-SD 4.37Å; M151-L160 HydrophobicContact SD-CD2 3.58Å; M151-L160 VanDerWaalsContact SD-CD2 3.58Å
152V97.8Very high96.6Very high22 Ų2258.6 Ų58.613%0.13330%0.302CS..PPolyproline II helixtrans-77.9124.6165.3-1780000107.9T155 K159 R161V152-T155 HydrophobicContact CB-CG2 4.49Å; V152-T155 HydrophobicContact CG1-CG2 4.36Å; V152-K159 HydrophobicContact CB-CB 3.82Å; V152-K159 HydrophobicContact CG2-CB 3.76Å; V152-K159 PolarHBondContact N-O 3.19Å; V152-R161 HydrophobicContact CG2-CB 4.09Å
153A94Very high96.7Very high71 Ų7159.6 Ų59.659%0.58730%0.302SS*.SBendtrans-76.6171177.500000112.5T155A153-T155 VanDerWaalsContact C-N 3.29Å; A153-T155 PolarHBondContact O-N 3.32Å
154D90.8Very high96.6Very high175 Ų17565 Ų6594%0.93633%0.331SS*.SBendtrans57.534.2171.3-51.2-41.9000115.2
155T92.6Very high96.7Very high39 Ų3968.5 Ų68.524%0.23933%0.331CS..  trans-141.8148174.6-175.50000110.5Q133 V152 A153 E157Q133-T155 PolarHBondContact NE2-O 3.09Å; V152-T155 HydrophobicContact CB-CG2 4.49Å; V152-T155 HydrophobicContact CG1-CG2 4.36Å; A153-T155 VanDerWaalsContact C-N 3.29Å; A153-T155 PolarHBondContact O-N 3.32Å; T155-E157 VanDerWaalsContact C-N 3.27Å; T155-E157 WeakPolarHBondContact CG2-O 3.27Å; T155-E157 PolarHBondContact OG1-N 3.28Å
156S91.5Very high96.7Very high38 Ų3866.7 Ų66.727%0.26632%0.324SS..SBendtrans-82.6-9.7170.184.10000112.4R129 E214R129-S156 WeakPolarHBondContact CD-O 3.45Å; R129-S156 VanDerWaalsContact CG-O 3.3Å; R129-S156 WeakPolarHBondContact CG-O 3.25Å; R129-S156 PolarHBondContact NE-O 3.01Å; R129-S156 PolarHBondContact NE-OG 2.99Å; S156-E214 WeakPolarHBondContact CB-OE1 3.45Å; S156-E214 WeakPolarHBondContact OG-CG 2.97Å; S156-E214 PolarHBondContact OG-OE1 2.65Å
157E95.4Very high96.8Very high10 Ų1061.8 Ų61.85%0.04731%0.308CS..SBendtrans-80.4146.7177.7-61.4-65.1161.600111T155 K159 Q169 K213 E214T155-E157 VanDerWaalsContact C-N 3.27Å; T155-E157 WeakPolarHBondContact CG2-O 3.27Å; T155-E157 PolarHBondContact OG1-N 3.28Å; E157-K159 HydrophobicContact CB-CD 4.24Å; E157-K159 HydrophobicContact CB-CG 4.07Å; E157-K159 PolarHBondContact O-N 3.04Å; E157-K159 VanDerWaalsContact O-N 3.11Å; E157-Q169 PolarHBondContact OE2-NE2 3.45Å; E157-K213 WeakPolarHBondContact OE1-CG 3.49Å; E157-E214 WeakPolarHBondContact OE1-CB 3.39Å; E157-E214 PolarHBondContact OE1-N 3.14Å
158V98Very high96.8Very high1 Ų155.8 Ų55.81%0.00628%0.276CS..  trans-82.596173.6-178.50000108.6F132 Q133 V136 Q169 I170F132-V158 HydrophobicContact CD1-CB 4.11Å; F132-V158 HydrophobicContact CD1-CG1 4.16Å; F132-V158 HydrophobicContact CD1-CG2 3.59Å; F132-V158 HydrophobicContact CE1-CB 4.21Å; F132-V158 HydrophobicContact CE1-CG1 3.96Å; F132-V158 HydrophobicContact CE1-CG2 4.19Å; F132-V158 HydrophobicContact CG-CG2 4.48Å; Q133-V158 HydrophobicContact CB-CG2 3.73Å; Q133-V158 HydrophobicContact CG-CG2 4.2Å; V136-V158 HydrophobicContact CB-CG1 3.84Å; V136-V158 HydrophobicContact CG1-CG1 3.71Å; V136-V158 HydrophobicContact CG2-CG1 3.8Å; V158-Q169 CarbonylContact O-C 3.56Å; V158-Q169 WeakPolarHBondContact O-CA 3.15Å; V158-I170 WeakPolarHBondContact CB-O 3.44Å; V158-I170 HydrophobicContact CG1-CB 4.31Å; V158-I170 PolarHBondContact O-N 3.38Å
159K98.4Very high96.8Very high61 Ų6154.5 Ų54.527%0.26527%0.267SS..EExtended strand (participates in β ladder)trans-120.6131.5-179.1-70.8-179.6-179.2176.40111.1V152 E157 V167 V168 Q169V152-K159 HydrophobicContact CB-CB 3.82Å; V152-K159 HydrophobicContact CG2-CB 3.76Å; V152-K159 PolarHBondContact N-O 3.19Å; E157-K159 HydrophobicContact CB-CD 4.24Å; E157-K159 HydrophobicContact CB-CG 4.07Å; E157-K159 PolarHBondContact O-N 3.04Å; E157-K159 VanDerWaalsContact O-N 3.11Å; K159-V167 HydrophobicContact CB-CG1 4.49Å; K159-V167 HydrophobicContact CD-CG1 4.49Å; K159-V168 CarbonylContact C-O 3.24Å; K159-V168 WeakPolarHBondContact CA-O 3.48Å; K159-Q169 HydrophobicContact CG-CB 4.02Å; K159-Q169 HydrophobicContact CG-CG 4.14Å
160L98.6Very high96.8Very high0 Ų054.5 Ų54.50%027%0.267CS..EExtended strand (participates in β ladder)trans-105.1137.8174.2-59.2-178.8000109.8V38 V41 V136 V140 V149 K150 M151 V167 V168 I170V38-L160 HydrophobicContact CG2-CD1 4.48Å; V41-L160 HydrophobicContact CG1-CD1 4.34Å; V41-L160 HydrophobicContact CG2-CD1 4.36Å; V136-L160 HydrophobicContact CG1-CD2 3.87Å; V140-L160 HydrophobicContact CG2-CD2 3.6Å; V149-L160 HydrophobicContact CG2-CB 4Å; V149-L160 HydrophobicContact CG2-CD1 4.05Å; V149-L160 HydrophobicContact CG2-CD2 4.13Å; V149-L160 HydrophobicContact CG2-CG 4.29Å; K150-L160 CarbonylContact O-C 3.49Å; K150-L160 WeakPolarHBondContact O-CA 3.44Å; M151-L160 HydrophobicContact SD-CD2 3.58Å; M151-L160 VanDerWaalsContact SD-CD2 3.58Å; L160-V167 CarbonylContact O-C 3.55Å; L160-V167 VanDerWaalsContact O-CA 3.31Å; L160-V167 WeakPolarHBondContact O-CA 3.39Å; L160-V168 PolarHBondContact N-O 3.47Å; L160-V168 PolarHBondContact O-N 3.12Å; L160-I170 HydrophobicContact CD1-CD1 3.77Å; L160-I170 HydrophobicContact CG-CD1 4.38Å
161R98.6Very high96.8Very high86 Ų8649.4 Ų49.433%0.32525%0.245SC..EExtended strand (participates in β ladder)trans-103.4118.3165.9-179.1169.5-68.2102.90.6108.5V149 K150 V152 Y166V149-R161 WeakPolarHBondContact CA-O 3.4Å; K150-R161 PolarHBondContact N-O 3.23Å; K150-R161 PolarHBondContact O-N 2.98Å; V152-R161 HydrophobicContact CG2-CB 4.09Å; R161-Y166 CarbonylContact C-O 3.5Å; R161-Y166 WeakPolarHBondContact CA-O 3.28Å
162I98.5Very high96.8Very high0 Ų047.2 Ų47.20%023%0.234CC..EExtended strand (participates in β ladder)trans-108.6123.6-178.4-57.5171.4000108.9V34 V37 V38 V148 V149 D164 R165 Y166 V168V34-I162 HydrophobicContact CB-CD1 4.03Å; V34-I162 HydrophobicContact CG1-CD1 4.17Å; V37-I162 HydrophobicContact CB-CD1 4Å; V37-I162 HydrophobicContact CG1-CD1 3.92Å; V37-I162 HydrophobicContact CG1-CG1 4.15Å; V37-I162 HydrophobicContact CG2-CG2 4.23Å; V38-I162 HydrophobicContact CG2-CD1 4.43Å; V148-I162 CarbonylContact O-C 3.34Å; V148-I162 VanDerWaalsContact O-CA 3.32Å; V148-I162 WeakPolarHBondContact O-CA 3.38Å; V149-I162 HydrophobicContact CG2-CG1 4.05Å; I162-D164 PolarHBondContact O-N 3.2Å; I162-R165 PolarHBondContact O-N 3.15Å; I162-R165 VanDerWaalsContact O-N 3.09Å; I162-Y166 PolarHBondContact N-O 2.92Å; I162-Y166 PolarHBondContact O-N 3.27Å; I162-V168 HydrophobicContact CD1-CG2 3.77Å
163R97.3Very high96.8Very high142 Ų14246.1 Ų46.154%0.53623%0.228SC..THydrogen-bonded Turntrans51.235.1-178.8-64.2-177.4177.5171.88.8113.7E33 V148 R165E33-R163 VanDerWaalsContact OE1-CD 3.3Å; E33-R163 WeakPolarHBondContact OE1-CD 3.38Å; E33-R163 IonicContact OE1-CZ 2.74Å; E33-R163 IonicContact OE1-NE 3.88Å; E33-R163 PolarHBondContact OE1-NE 3.45Å; E33-R163 IonicContact OE1-NH1 2.66Å; E33-R163 PolarHBondContact OE1-NH1 3.28Å; E33-R163 IonicContact OE1-NH2 3.49Å; E33-R163 IonicContact OE2-NH1 3.53Å; V148-R163 HydrophobicContact CB-CG 3.85Å; V148-R163 HydrophobicContact CG1-CG 4.2Å; V148-R163 PolarHBondContact O-N 3.4Å; R163-R165 WeakPolarHBondContact O-CB 3.31Å; R163-R165 PolarHBondContact O-N 3.45Å
164D96.6Very high97Very high114 Ų11443 Ų4361%0.6120%0.201SC*.THydrogen-bonded Turntrans51.920.4-176.6-61.9-47.2000114.7I162I162-D164 PolarHBondContact O-N 3.2Å
165R97.6Very high97.2Very high165 Ų16538.2 Ų38.262%0.62317%0.172SC*.THydrogen-bonded Turntrans-128.9-43.5-171.6-178.5176.8179.6175.21.7113.1I162 R163I162-R165 PolarHBondContact O-N 3.15Å; I162-R165 VanDerWaalsContact O-N 3.09Å; R163-R165 WeakPolarHBondContact O-CB 3.31Å; R163-R165 PolarHBondContact O-N 3.45Å
166Y98.4Very high97.3Very high15 Ų1537 Ų376%0.05917%0.165CC..EExtended strand (participates in β ladder)trans-105.6141.9-175.2-49.7-64.5000110.3T30 V34 T72 R161 I162T30-Y166 HydrophobicContact CG2-CD1 3.64Å; T30-Y166 HydrophobicContact CG2-CD2 4.44Å; T30-Y166 HydrophobicContact CG2-CE1 3.4Å; T30-Y166 HydrophobicContact CG2-CE2 4.23Å; T30-Y166 HydrophobicContact CG2-CG 4.16Å; V34-Y166 HydrophobicContact CG1-CD2 4.1Å; V34-Y166 HydrophobicContact CG1-CG 4.09Å; T72-Y166 HydrophobicContact CG2-CD1 4.28Å; T72-Y166 HydrophobicContact CG2-CE1 4.42Å; T72-Y166 VanDerWaalsContact O-CA 3.32Å; T72-Y166 WeakPolarHBondContact O-CA 3.36Å; R161-Y166 CarbonylContact C-O 3.5Å; R161-Y166 WeakPolarHBondContact CA-O 3.28Å; I162-Y166 PolarHBondContact N-O 2.92Å; I162-Y166 PolarHBondContact O-N 3.27Å
167V98.4Very high97.5Very high31 Ų3139.3 Ų39.319%0.18818%0.177CC..EExtended strand (participates in β ladder)trans-114.5127.5173-179.20000108.8T72 E73 F74 K159 L160T72-V167 PolarHBondContact O-N 2.68Å; E73-V167 VanDerWaalsContact CA-O 3.32Å; E73-V167 WeakPolarHBondContact CA-O 3.39Å; E73-V167 HydrophobicContact CG-CB 4.34Å; F74-V167 PolarHBondContact N-O 2.86Å; K159-V167 HydrophobicContact CB-CG1 4.49Å; K159-V167 HydrophobicContact CD-CG1 4.49Å; L160-V167 CarbonylContact O-C 3.55Å; L160-V167 VanDerWaalsContact O-CA 3.31Å; L160-V167 WeakPolarHBondContact O-CA 3.39Å
168V98.6Very high97.5Very high0 Ų041.7 Ų41.70%021%0.205CC..EExtended strand (participates in β ladder)trans-121.6118.9175-173.10000109V34 V38 F74 V76 K159 L160 I162 I170V34-V168 HydrophobicContact CB-CG2 3.98Å; V34-V168 HydrophobicContact CG1-CG2 4.32Å; V34-V168 HydrophobicContact CG2-CG2 4.42Å; V38-V168 HydrophobicContact CG2-CB 4.28Å; V38-V168 HydrophobicContact CG2-CG1 3.86Å; V38-V168 HydrophobicContact CG2-CG2 4.35Å; F74-V168 HydrophobicContact CB-CG1 4.39Å; F74-V168 HydrophobicContact CB-CG2 4.35Å; F74-V168 HydrophobicContact CD2-CG2 4.38Å; F74-V168 WeakPolarHBondContact O-CA 3.47Å; V76-V168 HydrophobicContact CG2-CG1 3.93Å; K159-V168 CarbonylContact C-O 3.24Å; K159-V168 WeakPolarHBondContact CA-O 3.48Å; L160-V168 PolarHBondContact N-O 3.47Å; L160-V168 PolarHBondContact O-N 3.12Å; I162-V168 HydrophobicContact CD1-CG2 3.77Å; V168-I170 HydrophobicContact CG1-CG1 4.48Å
169Q98.3Very high97.3Very high18 Ų1846.2 Ų46.28%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-86134.9166.9-176.5167.5-36.700109.4F74 E75 V76 E157 V158 K159 T171F74-Q169 PolarHBondContact O-N 2.94Å; E75-Q169 CarbonylContact C-O 3.54Å; E75-Q169 WeakPolarHBondContact CA-O 3.45Å; E75-Q169 HydrophobicContact CG-CB 4.4Å; V76-Q169 PolarHBondContact N-O 3.39Å; E157-Q169 PolarHBondContact OE2-NE2 3.45Å; V158-Q169 CarbonylContact O-C 3.56Å; V158-Q169 WeakPolarHBondContact O-CA 3.15Å; K159-Q169 HydrophobicContact CG-CB 4.02Å; K159-Q169 HydrophobicContact CG-CG 4.14Å; Q169-T171 PolarHBondContact NE2-OG1 2.84Å
170I98.3Very high97.2Very high1 Ų145.2 Ų45.21%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-112.6116.8171.8-50.8174000108V38 L42 V76 L78 F132 V158 L160 V168V38-I170 HydrophobicContact CG1-CD1 3.81Å; V38-I170 HydrophobicContact CG1-CG1 4.28Å; L42-I170 HydrophobicContact CD2-CD1 4.45Å; L42-I170 HydrophobicContact CD2-CG2 4.26Å; V76-I170 HydrophobicContact CG1-CG2 4.48Å; V76-I170 CarbonylContact O-C 3.51Å; V76-I170 WeakPolarHBondContact O-CA 3.33Å; L78-I170 HydrophobicContact CB-CG2 4.25Å; F132-I170 HydrophobicContact CE1-CB 4.01Å; F132-I170 HydrophobicContact CE1-CG2 3.66Å; F132-I170 HydrophobicContact CZ-CB 4.42Å; F132-I170 HydrophobicContact CZ-CG2 3.71Å; V158-I170 WeakPolarHBondContact CB-O 3.44Å; V158-I170 HydrophobicContact CG1-CB 4.31Å; V158-I170 PolarHBondContact O-N 3.38Å; L160-I170 HydrophobicContact CD1-CD1 3.77Å; L160-I170 HydrophobicContact CG-CD1 4.38Å; V168-I170 HydrophobicContact CG1-CG1 4.48Å
171T98Very high97Very high1 Ų145.2 Ų45.21%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-117.9108.1-171.3-56.20000109.9E75 V76 V77 L78 Q169 L211 K213E75-T171 PolarHBondContact OE1-OG1 3.5Å; V76-T171 PolarHBondContact O-N 2.95Å; V77-T171 WeakPolarHBondContact CA-O 3.15Å; L78-T171 PolarHBondContact N-O 3.32Å; Q169-T171 PolarHBondContact NE2-OG1 2.84Å; T171-L211 HydrophobicContact CG2-CB 3.87Å; T171-L211 HydrophobicContact CG2-CD2 3.99Å; T171-L211 HydrophobicContact CG2-CG 4.38Å; T171-K213 HydrophobicContact CG2-CB 4.16Å
172P97.9Very high96.9Very high1 Ų150.4 Ų50.41%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-57.6138.7169.5-24.434.6000111.1F52 L78 L80 I128 F132 S212F52-P172 HydrophobicContact CE1-CB 4.44Å; F52-P172 HydrophobicContact CE1-CG 4.34Å; L78-P172 CarbonylContact O-C 3.57Å; L78-P172 WeakPolarHBondContact O-CA 3.22Å; L80-P172 HydrophobicContact CD1-CB 4.21Å; L80-P172 HydrophobicContact CD2-CB 4.34Å; L80-P172 HydrophobicContact CG-CB 4.39Å; I128-P172 HydrophobicContact CG2-CB 4.1Å; I128-P172 HydrophobicContact CG2-CG 4.44Å; F132-P172 HydrophobicContact CB-CG 4.1Å; F132-P172 HydrophobicContact CD1-CG 3.35Å; F132-P172 HydrophobicContact CD2-CG 4.32Å; F132-P172 HydrophobicContact CE1-CG 3.8Å; F132-P172 HydrophobicContact CG-CG 3.68Å; F132-P172 HydrophobicContact CZ-CG 4.44Å; P172-S212 WeakPolarHBondContact O-CB 3.19Å; P172-S212 PolarHBondContact O-N 3.31Å
173A97.8Very high96.7Very high0 Ų052 Ų520%025%0.254CS..EExtended strand (participates in β ladder)trans-152.4157.9-17600000113.5V77 L78 Y79 L80 L210 L211V77-A173 HydrophobicContact CG1-CB 3.43Å; V77-A173 VanDerWaalsContact CG1-CB 3.43Å; L78-A173 PolarHBondContact O-N 2.88Å; Y79-A173 WeakPolarHBondContact CA-O 3.5Å; Y79-A173 HydrophobicContact CD1-CB 4.33Å; L80-A173 PolarHBondContact N-O 3.32Å; A173-L210 CarbonylContact C-O 3.6Å; A173-L210 WeakPolarHBondContact CA-O 3.34Å; A173-L210 VanDerWaalsContact CB-O 3.32Å; A173-L210 WeakPolarHBondContact CB-O 3.44Å; A173-L211 HydrophobicContact CB-CD2 3.69Å
174F96.7Very high96.6Very high6 Ų645.3 Ų45.33%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-105.6131.7164-65.5-71.6000110.1L80 Q82 M83 L100 W113 L123 N209 L210 W230L80-F174 HydrophobicContact CB-CD1 3.85Å; L80-F174 HydrophobicContact CB-CE1 3.5Å; L80-F174 VanDerWaalsContact CB-CE1 3.5Å; L80-F174 HydrophobicContact CB-CZ 4.09Å; L80-F174 HydrophobicContact CD1-CE1 4.04Å; L80-F174 HydrophobicContact CD1-CE2 4.1Å; L80-F174 HydrophobicContact CD1-CZ 3.74Å; L80-F174 HydrophobicContact CG-CE1 4.4Å; Q82-F174 WeakPolarHBondContact O-CE1 3.37Å; M83-F174 HydrophobicContact CB-CD1 4.02Å; M83-F174 HydrophobicContact CB-CE1 4.13Å; M83-F174 HydrophobicContact CB-CG 4.39Å; L100-F174 HydrophobicContact CD1-CD2 3.67Å; L100-F174 HydrophobicContact CD1-CE2 3.87Å; W113-F174 HydrophobicContact CZ2-CE1 4.3Å; W113-F174 HydrophobicContact CZ2-CZ 4.22Å; W113-F174 AromaticContact NE1-CZ 3.9Å; L123-F174 HydrophobicContact CD2-CE2 3.71Å; L123-F174 HydrophobicContact CD2-CZ 4.02Å; F174-N209 CarbonylContact O-C 3.58Å; F174-N209 WeakPolarHBondContact O-CA 3.29Å; F174-L210 HydrophobicContact CB-CB 4.33Å; F174-L210 PolarHBondContact N-O 3.36Å; F174-L210 PolarHBondContact O-N 3.49Å; F174-W230 HydrophobicContact CD2-CE3 4.28Å; F174-W230 AromaticContact CD2-CH2 3.63Å; F174-W230 HydrophobicContact CD2-CH2 3.63Å; F174-W230 HydrophobicContact CD2-CZ2 4.12Å; F174-W230 AromaticContact CD2-CZ3 3.72Å; F174-W230 HydrophobicContact CD2-CZ3 3.72Å; F174-W230 AromaticContact CE2-CH2 3.34Å; F174-W230 HydrophobicContact CE2-CH2 3.34Å; F174-W230 AromaticContact CE2-CZ2 3.7Å; F174-W230 HydrophobicContact CE2-CZ2 3.7Å; F174-W230 AromaticContact CE2-CZ3 3.94Å; F174-W230 HydrophobicContact CE2-CZ3 3.94Å; F174-W230 HydrophobicContact CZ-CH2 4.44Å
175K95.5Very high96.5Very high74 Ų7442.9 Ų42.932%0.32222%0.224SC..EExtended strand (participates in β ladder)trans-86.9127.4173.5-167.3165.8-176163.20109.3E64 Y79 T177 E236E64-K175 IonicContact OE1-NZ 2.62Å; E64-K175 PolarHBondContact OE1-NZ 3.17Å; Y79-K175 HydrophobicContact CD1-CB 3.8Å; Y79-K175 HydrophobicContact CD1-CD 4.39Å; Y79-K175 HydrophobicContact CE1-CB 3.93Å; Y79-K175 HydrophobicContact CE1-CD 4.14Å; Y79-K175 HydrophobicContact CE1-CG 4.26Å; Y79-K175 HydrophobicContact CE2-CD 4.4Å; K175-T177 HydrophobicContact CD-CG2 4.46Å; K175-T177 HydrophobicContact CG-CG2 4.06Å; K175-E236 IonicContact NZ-OE1 3.24Å
176C95.5Very high96.4Very high14 Ų1438.5 Ų38.510%0.09521%0.21CC..EExtended strand (participates in β ladder)trans-117.780.8-176.8-60.80000109.9G207 F208C176-G207 WeakPolarHBondContact O-CA 3.46Å; C176-F208 WeakPolarHBondContact CA-O 3.35Å; C176-F208 HydrophobicContact CB-CD1 4.07Å; C176-F208 HydrophobicContact CB-CD2 4.29Å; C176-F208 HydrophobicContact CB-CE1 3.78Å; C176-F208 HydrophobicContact CB-CE2 4.01Å; C176-F208 HydrophobicContact CB-CG 4.33Å; C176-F208 HydrophobicContact CB-CZ 3.75Å; C176-F208 WeakPolarHBondContact CB-O 3.33Å; C176-F208 PolarHBondContact N-O 2.92Å; C176-F208 PolarHBondContact O-N 3.44Å; C176-F208 VanDerWaalsContact O-N 3.16Å
177T94.8Very high96.3Very high85 Ų8538 Ų3852%0.52121%0.208SC..THydrogen-bonded Turntrans-81150.2179.355.20000112.1K175 I179K175-T177 HydrophobicContact CD-CG2 4.46Å; K175-T177 HydrophobicContact CG-CG2 4.06Å; T177-I179 PolarHBondContact O-N 3.01Å; T177-I179 VanDerWaalsContact O-N 3.08Å
178G94.9Very high96.2Very high61 Ų6138.6 Ų38.663%0.62921%0.213SC*.THydrogen-bonded Turntrans67.94.6176.300000115.6A205G178-A205 PolarHBondContact N-O 3.4Å
179I94.1Very high95.9Very high96 Ų9641.3 Ų41.349%0.49223%0.227SC..  trans-122.9140.8179.3-56.8171.9000108T177 G207 F208T177-I179 PolarHBondContact O-N 3.01Å; T177-I179 VanDerWaalsContact O-N 3.08Å; I179-G207 WeakPolarHBondContact O-CA 3.48Å; I179-F208 HydrophobicContact CG2-CE1 4.39Å
180W96.1Very high95.5Very high40 Ų4046.6 Ų46.615%0.15226%0.263CS..  trans-116.5133.9176.9-160.5-106.7000110.6A184 W187 V203 K204 F234 A237 F320W180-A184 HydrophobicContact CZ2-CB 4.2Å; W180-A184 PolarHBondContact NE1-O 3.17Å; W180-W187 AromaticContact CZ2-CE3 3.91Å; W180-W187 HydrophobicContact CZ2-CE3 3.91Å; W180-W187 HydrophobicContact CZ2-CZ3 4.41Å; W180-V203 HydrophobicContact CH2-CG1 4.02Å; W180-V203 HydrophobicContact CZ3-CG1 4.32Å; W180-K204 HydrophobicContact CD2-CG 3.97Å; W180-K204 HydrophobicContact CE3-CB 4.33Å; W180-K204 HydrophobicContact CE3-CG 4.08Å; W180-K204 HydrophobicContact CG-CD 4.41Å; W180-K204 HydrophobicContact CG-CG 4.2Å; W180-F234 AromaticContact CH2-CD1 3.76Å; W180-F234 HydrophobicContact CH2-CD1 3.76Å; W180-F234 AromaticContact CH2-CE1 3.99Å; W180-F234 HydrophobicContact CH2-CE1 3.99Å; W180-F234 HydrophobicContact CZ2-CD1 4.34Å; W180-F234 HydrophobicContact CZ2-CE1 4.17Å; W180-F234 HydrophobicContact CZ3-CD1 4.07Å; W180-F234 HydrophobicContact CZ3-CE1 4.3Å; W180-A237 HydrophobicContact CH2-CB 4.18Å; W180-A237 HydrophobicContact CZ3-CB 4.09Å; W180-F320 HydrophobicContact CH2-CD1 4Å; W180-F320 HydrophobicContact CH2-CD2 4.34Å; W180-F320 AromaticContact CH2-CE1 3.86Å; W180-F320 HydrophobicContact CH2-CE1 3.86Å; W180-F320 HydrophobicContact CH2-CE2 4.21Å; W180-F320 HydrophobicContact CH2-CG 4.23Å; W180-F320 AromaticContact CH2-CZ 3.97Å; W180-F320 HydrophobicContact CH2-CZ 3.97Å; W180-F320 HydrophobicContact CZ2-CB 4.48Å; W180-F320 AromaticContact CZ2-CD1 3.61Å; W180-F320 HydrophobicContact CZ2-CD1 3.61Å; W180-F320 AromaticContact CZ2-CE1 3.83Å; W180-F320 HydrophobicContact CZ2-CE1 3.83Å; W180-F320 HydrophobicContact CZ2-CG 4Å; W180-F320 HydrophobicContact CZ2-CZ 4.4Å
181P95.7Very high95.2Very high0 Ų053.5 Ų53.50%030%0.295CS..  trans-73147.2-174.426.8-27.3000111.2F88 D90 S183 A184 A185 F208 L232 F234F88-P181 HydrophobicContact CE1-CB 4.28Å; F88-P181 HydrophobicContact CZ-CB 3.75Å; D90-P181 WeakPolarHBondContact OD2-CB 3.42Å; P181-S183 VanDerWaalsContact C-N 3.32Å; P181-S183 PolarHBondContact O-N 2.58Å; P181-A184 HydrophobicContact CG-CB 3.88Å; P181-A184 CarbonylContact O-C 3.56Å; P181-A184 PolarHBondContact O-N 3.48Å; P181-A185 PolarHBondContact O-N 2.91Å; P181-F208 HydrophobicContact CB-CD1 4.47Å; P181-F208 HydrophobicContact CB-CE1 4.15Å; P181-F208 HydrophobicContact CB-CZ 4.24Å; P181-F208 HydrophobicContact CG-CD1 4.01Å; P181-F208 HydrophobicContact CG-CE1 4.17Å; P181-F208 HydrophobicContact CG-CG 4.3Å; P181-L232 HydrophobicContact CB-CD1 4.47Å; P181-L232 HydrophobicContact CB-CD2 4.49Å; P181-F234 HydrophobicContact CG-CE1 3.52Å; P181-F234 HydrophobicContact CG-CZ 3.53Å
182R95.1Very high94.8Very high195 Ų19554.9 Ų54.974%0.73630%0.302SS*.G310 helixtrans-64.1-38.3-175.8-175.3179.9179.8162-0.9111.7D90 A184 A185D90-R182 HydrophobicContact CB-CB 4.42Å; D90-R182 WeakPolarHBondContact O-CB 3.44Å; D90-R182 WeakPolarHBondContact O-CD 3.23Å; D90-R182 PolarHBondContact OD2-N 3.37Å; R182-A184 PolarHBondContact O-N 2.99Å; R182-A185 WeakPolarHBondContact O-CB 3.2Å; R182-A185 PolarHBondContact O-N 2.97Å
183S94.4Very high94.6Very high34 Ų3459.6 Ų59.624%0.23833%0.333CS..G310 helixtrans-58.5-24.8174.352.60000113D90 P181 H186 L321D90-S183 WeakPolarHBondContact OD1-CB 3.42Å; D90-S183 PolarHBondContact OD1-OG 2.94Å; D90-S183 VanDerWaalsContact OD2-CB 3.25Å; D90-S183 WeakPolarHBondContact OD2-CB 3.33Å; D90-S183 PolarHBondContact OD2-N 3.08Å; D90-S183 PolarHBondContact OD2-OG 3.47Å; P181-S183 VanDerWaalsContact C-N 3.32Å; P181-S183 PolarHBondContact O-N 2.58Å; S183-H186 PolarHBondContact O-CE1 2.87Å; S183-H186 PolarHBondContact O-ND1 3.28Å; S183-L321 VanDerWaalsContact OG-CD2 3.32Å; S183-L321 WeakPolarHBondContact OG-CD2 3.41Å
184A95.9Very high94.5Very high0 Ų060 Ų600%034%0.335CS..G310 helixtrans-103.38.2174.800000113.8W180 P181 R182 H186 W187 F234 F320 L321W180-A184 HydrophobicContact CZ2-CB 4.2Å; W180-A184 PolarHBondContact NE1-O 3.17Å; P181-A184 HydrophobicContact CG-CB 3.88Å; P181-A184 CarbonylContact O-C 3.56Å; P181-A184 PolarHBondContact O-N 3.48Å; R182-A184 PolarHBondContact O-N 2.99Å; A184-H186 PolarHBondContact O-N 3.48Å; A184-W187 WeakPolarHBondContact O-CB 3.35Å; A184-W187 PolarHBondContact O-N 2.7Å; A184-F234 HydrophobicContact CB-CE1 4.41Å; A184-F234 HydrophobicContact CB-CZ 4.27Å; A184-F320 WeakPolarHBondContact CA-O 3.37Å; A184-F320 HydrophobicContact CB-CB 4.2Å; A184-F320 VanDerWaalsContact CB-O 3.29Å; A184-F320 WeakPolarHBondContact CB-O 3.39Å; A184-L321 HydrophobicContact CB-CD2 4.14Å
185A95.1Very high94.4Very high63 Ų6360.1 Ų60.152%0.52134%0.336SS..THydrogen-bonded Turntrans-66.7-19.9-174.500000114P181 R182 W187P181-A185 PolarHBondContact O-N 2.91Å; R182-A185 WeakPolarHBondContact O-CB 3.2Å; R182-A185 PolarHBondContact O-N 2.97Å; A185-W187 PolarHBondContact O-N 2.92Å
186H94Very high94.4Very high73 Ų7358.1 Ų58.134%0.33834%0.336SS..THydrogen-bonded Turntrans-67.1-14.1173.367.3-84.4000113S183 A184 P188 F320 P322S183-H186 PolarHBondContact O-CE1 2.87Å; S183-H186 PolarHBondContact O-ND1 3.28Å; A184-H186 PolarHBondContact O-N 3.48Å; H186-P188 CarbonylContact O-C 3.51Å; H186-F320 PolarHBondContact CE1-O 3.43Å; H186-P322 WeakPolarHBondContact CE1-CD 3.22Å; H186-P322 WeakPolarHBondContact NE2-CD 3.43Å
187W97.2Very high94.4Very high4 Ų462.8 Ų62.82%0.01537%0.366CS..PPolyproline II helixtrans-91.3136.6178.1-17492000111.9W180 A184 A185 P195 V200 V203 K204 L241 Y319 F320W180-W187 AromaticContact CZ2-CE3 3.91Å; W180-W187 HydrophobicContact CZ2-CE3 3.91Å; W180-W187 HydrophobicContact CZ2-CZ3 4.41Å; A184-W187 WeakPolarHBondContact O-CB 3.35Å; A184-W187 PolarHBondContact O-N 2.7Å; A185-W187 PolarHBondContact O-N 2.92Å; W187-P195 HydrophobicContact CH2-CG 3.93Å; W187-P195 HydrophobicContact CZ2-CG 3.54Å; W187-V200 HydrophobicContact CH2-CB 4.47Å; W187-V200 HydrophobicContact CH2-CG1 4.33Å; W187-V200 HydrophobicContact CH2-CG2 4.39Å; W187-V200 HydrophobicContact CZ3-CG1 3.97Å; W187-V203 HydrophobicContact CH2-CB 3.75Å; W187-V203 HydrophobicContact CH2-CG1 3.5Å; W187-V203 VanDerWaalsContact CH2-CG1 3.5Å; W187-V203 HydrophobicContact CH2-CG2 4.28Å; W187-V203 HydrophobicContact CZ2-CG1 4.32Å; W187-V203 HydrophobicContact CZ3-CB 4.14Å; W187-V203 HydrophobicContact CZ3-CG1 3.74Å; W187-K204 HydrophobicContact CZ3-CG 4.12Å; W187-K204 WeakPolarHBondContact O-CE 3.28Å; W187-K204 PolarHBondContact O-NZ 3.04Å; W187-L241 HydrophobicContact CZ2-CD1 4.1Å; W187-L241 HydrophobicContact CZ2-CD2 4.44Å; W187-Y319 AromaticContact NE1-CE1 3.45Å; W187-Y319 AromaticContact NE1-CZ 3.55Å; W187-Y319 PolarHBondContact NE1-OH 3.46Å; W187-F320 HydrophobicContact CB-CD1 4.35Å; W187-F320 AromaticContact CD1-CD1 3.93Å; W187-F320 AromaticContact CD2-CD1 3.87Å; W187-F320 HydrophobicContact CD2-CD1 3.87Å; W187-F320 AromaticContact CD2-CE1 3.65Å; W187-F320 HydrophobicContact CD2-CE1 3.65Å; W187-F320 AromaticContact CE2-CE1 3.55Å; W187-F320 HydrophobicContact CE3-CD1 4.41Å; W187-F320 HydrophobicContact CE3-CE1 4.05Å; W187-F320 AromaticContact CG-CD1 3.79Å; W187-F320 HydrophobicContact CG-CD1 3.79Å; W187-F320 HydrophobicContact CG-CE1 4.05Å; W187-F320 HydrophobicContact CH2-CE1 4.26Å; W187-F320 AromaticContact CZ2-CE1 3.86Å; W187-F320 HydrophobicContact CZ2-CE1 3.86Å; W187-F320 HydrophobicContact CZ3-CE1 4.34Å; W187-F320 AromaticContact NE1-CE1 3.84Å
188P95.9Very high94.5Very high44 Ų4465.1 Ų65.129%0.28638%0.375SS..SBendcis-75.8158.7-2.334.3-38.1000112.7H186 V200H186-P188 CarbonylContact O-C 3.51Å; P188-V200 HydrophobicContact CB-CG2 4.32Å; P188-V200 HydrophobicContact CG-CG1 4.03Å; P188-V200 HydrophobicContact CG-CG2 3.9Å
189L92.9Very high94.6Very high57 Ų5765.3 Ų65.330%0.29836%0.357SS..PPolyproline II helixtrans-71.1130.6175.3-68.3175.7000110.5H191 I192L189-H191 PolarHBondContact O-N 3.47Å; L189-H191 VanDerWaalsContact O-N 3.11Å; L189-I192 HydrophobicContact CB-CB 4.33Å; L189-I192 HydrophobicContact CB-CD1 3.77Å; L189-I192 HydrophobicContact CB-CG1 3.83Å; L189-I192 HydrophobicContact CD1-CD1 3.5Å; L189-I192 VanDerWaalsContact CD1-CD1 3.5Å; L189-I192 HydrophobicContact CD1-CG1 4.41Å; L189-I192 HydrophobicContact CG-CD1 4.21Å; L189-I192 PolarHBondContact O-N 3.43Å; L189-I192 VanDerWaalsContact O-N 3.09Å
190P90Very high94.7Very high130 Ų13061.7 Ų61.784%0.84434%0.339SS*.THydrogen-bonded Turntrans-66.1-21-168.224.4-34.9000114.7
191H90.9Very high94.8Very high145 Ų14562.7 Ų62.767%0.67136%0.357SS*.THydrogen-bonded Turntrans-97.82.2-179.161.9-85.5000113.2L189L189-H191 PolarHBondContact O-N 3.47Å; L189-H191 VanDerWaalsContact O-N 3.11Å
192I91.1Very high94.9Very high30 Ų3066.4 Ų66.415%0.15437%0.374CS..  trans-107.1118.4-179-54.4-171.4000108.2L189 W194 E283L189-I192 HydrophobicContact CB-CB 4.33Å; L189-I192 HydrophobicContact CB-CD1 3.77Å; L189-I192 HydrophobicContact CB-CG1 3.83Å; L189-I192 HydrophobicContact CD1-CD1 3.5Å; L189-I192 VanDerWaalsContact CD1-CD1 3.5Å; L189-I192 HydrophobicContact CD1-CG1 4.41Å; L189-I192 HydrophobicContact CG-CD1 4.21Å; L189-I192 PolarHBondContact O-N 3.43Å; L189-I192 VanDerWaalsContact O-N 3.09Å; I192-W194 WeakPolarHBondContact CG2-O 3.41Å; I192-W194 PolarHBondContact O-N 2.88Å; I192-E283 HydrophobicContact CD1-CB 4.1Å; I192-E283 HydrophobicContact CD1-CG 4.21Å; I192-E283 WeakPolarHBondContact CD1-OE2 3.31Å; I192-E283 HydrophobicContact CG2-CB 3.84Å; I192-E283 HydrophobicContact CG2-CG 3.99Å
193P92.4Very high95.1Very high100 Ų10057.1 Ų57.165%0.64934%0.339SS*.  trans-76.3-3.4-175.429.4-33.2000113.6P286P193-P286 HydrophobicContact CG-CB 3.74Å; P193-P286 HydrophobicContact CG-CG 3.69Å
194W95.9Very high95.3Very high10 Ų1058.8 Ų58.84%0.03834%0.342CS..  trans-115140.2174.2-178.396.6000111.2I192 L241 C282 E283 P286 Y319I192-W194 WeakPolarHBondContact CG2-O 3.41Å; I192-W194 PolarHBondContact O-N 2.88Å; W194-L241 HydrophobicContact CH2-CD1 3.44Å; W194-L241 VanDerWaalsContact CH2-CD1 3.44Å; W194-L241 HydrophobicContact CH2-CD2 3.64Å; W194-L241 HydrophobicContact CH2-CG 3.38Å; W194-L241 HydrophobicContact CZ2-CD1 3.58Å; W194-L241 HydrophobicContact CZ2-CG 3.77Å; W194-L241 HydrophobicContact CZ3-CD1 4.06Å; W194-L241 HydrophobicContact CZ3-CD2 4.14Å; W194-L241 HydrophobicContact CZ3-CG 4.25Å; W194-C282 HydrophobicContact CD2-CB 3.63Å; W194-C282 VanDerWaalsContact CE2-CB 3.47Å; W194-C282 HydrophobicContact CE3-CB 3.62Å; W194-C282 HydrophobicContact CG-CB 4.47Å; W194-C282 HydrophobicContact CH2-CB 3.27Å; W194-C282 HydrophobicContact CZ2-CB 3.33Å; W194-C282 HydrophobicContact CZ3-CB 3.43Å; W194-C282 VanDerWaalsContact CZ3-CB 3.43Å; W194-E283 HydrophobicContact CE3-CG 3.89Å; W194-E283 HydrophobicContact CZ3-CG 4.09Å; W194-P286 HydrophobicContact CB-CB 3.39Å; W194-P286 HydrophobicContact CG-CB 4.43Å; W194-Y319 WeakPolarHBondContact CZ3-OH 3.18Å
195P96Very high95.4Very high8 Ų861.6 Ų61.65%0.05237%0.365CS..SBendcis-77.7159.5-5.733.1-35.5000112.2W187 R199 V200 L241W187-P195 HydrophobicContact CH2-CG 3.93Å; W187-P195 HydrophobicContact CZ2-CG 3.54Å; P195-R199 HydrophobicContact CB-CB 3.91Å; P195-R199 HydrophobicContact CB-CG 3.6Å; P195-R199 HydrophobicContact CG-CG 4.39Å; P195-V200 HydrophobicContact CG-CG2 3.72Å; P195-V200 WeakPolarHBondContact O-CG2 3.37Å; P195-L241 HydrophobicContact CB-CD1 3.78Å; P195-L241 HydrophobicContact CG-CD1 3.61Å
196G94.6Very high95.5Very high32 Ų3260.7 Ų60.733%0.3335%0.35SS..  trans-63.7158.4174.900000112.9N198 R199 V200G196-N198 VanDerWaalsContact C-N 3.32Å; G196-N198 PolarHBondContact O-N 3.34Å; G196-N198 VanDerWaalsContact O-N 3.14Å; G196-R199 WeakPolarHBondContact O-CB 3.4Å; G196-R199 PolarHBondContact O-N 3.24Å; G196-V200 PolarHBondContact O-N 3.33Å
197P95.5Very high95.6Very high111 Ų11157.3 Ų57.372%0.72133%0.334SS*.Hα-helixtrans-53.5-40-170.9-2935.3000115.3R199 V200 A201P197-R199 PolarHBondContact O-N 3.46Å; P197-V200 WeakPolarHBondContact O-CB 3.41Å; P197-V200 PolarHBondContact O-N 3.39Å; P197-A201 PolarHBondContact O-N 3.08Å
198N96.4Very high95.6Very high135 Ų13557.2 Ų57.272%0.72233%0.334SS*.Hα-helixtrans-63.3-43.2177.8-67-9.4000111.6G196 V200 A201 E202G196-N198 VanDerWaalsContact C-N 3.32Å; G196-N198 PolarHBondContact O-N 3.34Å; G196-N198 VanDerWaalsContact O-N 3.14Å; N198-V200 VanDerWaalsContact C-N 3.34Å; N198-A201 PolarHBondContact O-N 2.8Å; N198-E202 WeakPolarHBondContact O-CG 3.4Å; N198-E202 PolarHBondContact O-N 3.16Å
199R96.7Very high95.7Very high64 Ų6455.1 Ų55.124%0.24232%0.321CS..Hα-helixtrans-67.4-36177.1179.766.764.1-160.1-13.7111.2P195 G196 P197 E202 V203 R240 L241P195-R199 HydrophobicContact CB-CB 3.91Å; P195-R199 HydrophobicContact CB-CG 3.6Å; P195-R199 HydrophobicContact CG-CG 4.39Å; G196-R199 WeakPolarHBondContact O-CB 3.4Å; G196-R199 PolarHBondContact O-N 3.24Å; P197-R199 PolarHBondContact O-N 3.46Å; R199-E202 IonicContact CZ-OE2 2.94Å; R199-E202 VanDerWaalsContact CZ-OE2 3.24Å; R199-E202 IonicContact NE-OE2 2.81Å; R199-E202 IonicContact NH1-OE2 2.68Å; R199-E202 PolarHBondContact NH1-OE2 3.27Å; R199-E202 IonicContact NH2-OE2 3.64Å; R199-E202 PolarHBondContact O-N 2.97Å; R199-V203 HydrophobicContact CG-CG2 4.44Å; R199-V203 WeakPolarHBondContact O-CB 3.35Å; R199-V203 WeakPolarHBondContact O-CG2 3.36Å; R199-V203 PolarHBondContact O-N 3.47Å; R199-R240 WeakPolarHBondContact CD-O 3.34Å; R199-R240 PolarHBondContact NH1-O 3.12Å; R199-L241 HydrophobicContact CG-CD1 4.31Å
200V97.8Very high95.9Very high20 Ų2052.4 Ų52.412%0.12131%0.306CS..Hα-helixtrans-58.4-48.7171.8176.50000110.6W187 P188 P195 G196 P197 N198 E202 V203 K204W187-V200 HydrophobicContact CH2-CB 4.47Å; W187-V200 HydrophobicContact CH2-CG1 4.33Å; W187-V200 HydrophobicContact CH2-CG2 4.39Å; W187-V200 HydrophobicContact CZ3-CG1 3.97Å; P188-V200 HydrophobicContact CB-CG2 4.32Å; P188-V200 HydrophobicContact CG-CG1 4.03Å; P188-V200 HydrophobicContact CG-CG2 3.9Å; P195-V200 HydrophobicContact CG-CG2 3.72Å; P195-V200 WeakPolarHBondContact O-CG2 3.37Å; G196-V200 PolarHBondContact O-N 3.33Å; P197-V200 WeakPolarHBondContact O-CB 3.41Å; P197-V200 PolarHBondContact O-N 3.39Å; N198-V200 VanDerWaalsContact C-N 3.34Å; V200-E202 PolarHBondContact O-N 3.43Å; V200-V203 PolarHBondContact O-N 3.41Å; V200-K204 HydrophobicContact CG1-CD 4.27Å; V200-K204 WeakPolarHBondContact O-CG 3.47Å; V200-K204 PolarHBondContact O-N 3.35Å
201A97.9Very high96.3Very high62 Ų6246.4 Ų46.451%0.51227%0.267SS..Hα-helixtrans-61-45.2179.600000111.7P197 N198 V203 K204 A205P197-A201 PolarHBondContact O-N 3.08Å; N198-A201 PolarHBondContact O-N 2.8Å; A201-V203 PolarHBondContact O-N 3.04Å; A201-K204 PolarHBondContact O-N 3.28Å; A201-A205 WeakPolarHBondContact O-CB 3.48Å; A201-A205 PolarHBondContact O-N 2.96Å
202E98Very high96.5Very high77 Ų7739.5 Ų39.536%0.3624%0.235SC..Hα-helixtrans-59.1-46.7175.2-71.4173.1-160.200112.2N198 R199 V200 A205 E206 R240N198-E202 WeakPolarHBondContact O-CG 3.4Å; N198-E202 PolarHBondContact O-N 3.16Å; R199-E202 IonicContact CZ-OE2 2.94Å; R199-E202 VanDerWaalsContact CZ-OE2 3.24Å; R199-E202 IonicContact NE-OE2 2.81Å; R199-E202 IonicContact NH1-OE2 2.68Å; R199-E202 PolarHBondContact NH1-OE2 3.27Å; R199-E202 IonicContact NH2-OE2 3.64Å; R199-E202 PolarHBondContact O-N 2.97Å; V200-E202 PolarHBondContact O-N 3.43Å; E202-A205 WeakPolarHBondContact O-CB 3.35Å; E202-A205 PolarHBondContact O-N 3.02Å; E202-E206 WeakPolarHBondContact O-CG 3.5Å; E202-E206 PolarHBondContact O-N 2.94Å; E202-E206 VanDerWaalsContact O-N 3.15Å; E202-R240 HydrophobicContact CB-CG 3.94Å; E202-R240 WeakPolarHBondContact OE2-CD 3.4Å
203V98.2Very high96.6Very high0 Ų039.9 Ų39.90%024%0.236CC..Hα-helixtrans-64-42.1-180170.20000111.3W180 W187 R199 V200 A201 A205 E206 G207 A237 R240 L241 F320W180-V203 HydrophobicContact CH2-CG1 4.02Å; W180-V203 HydrophobicContact CZ3-CG1 4.32Å; W187-V203 HydrophobicContact CH2-CB 3.75Å; W187-V203 HydrophobicContact CH2-CG1 3.5Å; W187-V203 VanDerWaalsContact CH2-CG1 3.5Å; W187-V203 HydrophobicContact CH2-CG2 4.28Å; W187-V203 HydrophobicContact CZ2-CG1 4.32Å; W187-V203 HydrophobicContact CZ3-CB 4.14Å; W187-V203 HydrophobicContact CZ3-CG1 3.74Å; R199-V203 HydrophobicContact CG-CG2 4.44Å; R199-V203 WeakPolarHBondContact O-CB 3.35Å; R199-V203 WeakPolarHBondContact O-CG2 3.36Å; R199-V203 PolarHBondContact O-N 3.47Å; V200-V203 PolarHBondContact O-N 3.41Å; A201-V203 PolarHBondContact O-N 3.04Å; V203-A205 VanDerWaalsContact C-N 3.3Å; V203-A205 PolarHBondContact O-N 3.22Å; V203-E206 PolarHBondContact O-N 2.95Å; V203-G207 PolarHBondContact O-N 3.47Å; V203-A237 HydrophobicContact CG1-CB 3.85Å; V203-R240 HydrophobicContact CG2-CB 4.21Å; V203-R240 HydrophobicContact CG2-CG 4Å; V203-L241 HydrophobicContact CG2-CB 3.87Å; V203-L241 HydrophobicContact CG2-CD1 4.14Å; V203-F320 HydrophobicContact CG1-CE1 4.24Å; V203-F320 HydrophobicContact CG1-CZ 3.88Å
204K98Very high96.4Very high70 Ų7039.7 Ų39.730%0.30423%0.226SC..Hα-helixtrans-67.8-30.7175.7-71.7-171.2174.7-177.40112.6W180 W187 V200 A201 G207W180-K204 HydrophobicContact CD2-CG 3.97Å; W180-K204 HydrophobicContact CE3-CB 4.33Å; W180-K204 HydrophobicContact CE3-CG 4.08Å; W180-K204 HydrophobicContact CG-CD 4.41Å; W180-K204 HydrophobicContact CG-CG 4.2Å; W187-K204 HydrophobicContact CZ3-CG 4.12Å; W187-K204 WeakPolarHBondContact O-CE 3.28Å; W187-K204 PolarHBondContact O-NZ 3.04Å; V200-K204 HydrophobicContact CG1-CD 4.27Å; V200-K204 WeakPolarHBondContact O-CG 3.47Å; V200-K204 PolarHBondContact O-N 3.35Å; A201-K204 PolarHBondContact O-N 3.28Å; K204-G207 PolarHBondContact O-N 3.06Å
205A98Very high95.7Very high58 Ų5840.3 Ų40.348%0.47923%0.232SC..Hα-helixtrans-67.8-35.717600000112.5G178 A201 E202 V203 G207G178-A205 PolarHBondContact N-O 3.4Å; A201-A205 WeakPolarHBondContact O-CB 3.48Å; A201-A205 PolarHBondContact O-N 2.96Å; E202-A205 WeakPolarHBondContact O-CB 3.35Å; E202-A205 PolarHBondContact O-N 3.02Å; V203-A205 VanDerWaalsContact C-N 3.3Å; V203-A205 PolarHBondContact O-N 3.22Å; A205-G207 VanDerWaalsContact C-N 3.26Å; A205-G207 PolarHBondContact O-N 2.84Å
206E97.5Very high94.5Very high45 Ų4546.6 Ų46.621%0.2126%0.26CS..Hα-helixtrans-61.5-36.1172.9-62.8-65.5177.400111.9E202 V203 E236 A237 R240E202-E206 WeakPolarHBondContact O-CG 3.5Å; E202-E206 PolarHBondContact O-N 2.94Å; E202-E206 VanDerWaalsContact O-N 3.15Å; V203-E206 PolarHBondContact O-N 2.95Å; E206-E236 HydrophobicContact CB-CB 4Å; E206-E236 HydrophobicContact CG-CB 4.29Å; E206-A237 HydrophobicContact CB-CB 4.25Å; E206-R240 HydrophobicContact CG-CB 4.04Å; E206-R240 HydrophobicContact CG-CG 4.18Å; E206-R240 IonicContact OE1-CZ 3.43Å; E206-R240 IonicContact OE1-NE 3.55Å; E206-R240 PolarHBondContact OE1-NE 3.46Å; E206-R240 IonicContact OE1-NH2 3.65Å; E206-R240 PolarHBondContact OE1-NH2 3.25Å
207G97.2Very high93.1Very high1 Ų145.7 Ų45.71%0.0125%0.249CC..  trans71.1-132.9178.700000112.9C176 I179 V203 K204 A205C176-G207 WeakPolarHBondContact O-CA 3.46Å; I179-G207 WeakPolarHBondContact O-CA 3.48Å; V203-G207 PolarHBondContact O-N 3.47Å; K204-G207 PolarHBondContact O-N 3.06Å; A205-G207 VanDerWaalsContact C-N 3.26Å; A205-G207 PolarHBondContact O-N 2.84Å
208F97.4Very high91.4Very high2 Ų241 Ų411%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-155.9171.8-173.865.1-78.9000111.9F88 C176 I179 P181 L210 L232 Q233 F234F88-F208 HydrophobicContact CD1-CZ 4.4Å; F88-F208 HydrophobicContact CD2-CE2 4.21Å; F88-F208 AromaticContact CD2-CZ 3.97Å; F88-F208 HydrophobicContact CD2-CZ 3.97Å; F88-F208 HydrophobicContact CE1-CZ 4.03Å; F88-F208 AromaticContact CE2-CE2 3.64Å; F88-F208 HydrophobicContact CE2-CE2 3.64Å; F88-F208 AromaticContact CE2-CZ 3.52Å; F88-F208 HydrophobicContact CE2-CZ 3.52Å; F88-F208 HydrophobicContact CG-CZ 4.37Å; F88-F208 HydrophobicContact CZ-CE1 4.48Å; F88-F208 HydrophobicContact CZ-CE2 4.03Å; F88-F208 AromaticContact CZ-CZ 3.56Å; F88-F208 HydrophobicContact CZ-CZ 3.56Å; C176-F208 WeakPolarHBondContact CA-O 3.35Å; C176-F208 HydrophobicContact CB-CD1 4.07Å; C176-F208 HydrophobicContact CB-CD2 4.29Å; C176-F208 HydrophobicContact CB-CE1 3.78Å; C176-F208 HydrophobicContact CB-CE2 4.01Å; C176-F208 HydrophobicContact CB-CG 4.33Å; C176-F208 HydrophobicContact CB-CZ 3.75Å; C176-F208 WeakPolarHBondContact CB-O 3.33Å; C176-F208 PolarHBondContact N-O 2.92Å; C176-F208 PolarHBondContact O-N 3.44Å; C176-F208 VanDerWaalsContact O-N 3.16Å; I179-F208 HydrophobicContact CG2-CE1 4.39Å; P181-F208 HydrophobicContact CB-CD1 4.47Å; P181-F208 HydrophobicContact CB-CE1 4.15Å; P181-F208 HydrophobicContact CB-CZ 4.24Å; P181-F208 HydrophobicContact CG-CD1 4.01Å; P181-F208 HydrophobicContact CG-CE1 4.17Å; P181-F208 HydrophobicContact CG-CG 4.3Å; F208-L210 HydrophobicContact CD2-CD2 4.41Å; F208-L210 HydrophobicContact CD2-CG 4.4Å; F208-L210 HydrophobicContact CE2-CD1 4.47Å; F208-L210 HydrophobicContact CE2-CD2 3.81Å; F208-L210 HydrophobicContact CE2-CG 3.85Å; F208-L232 HydrophobicContact CD2-CD2 3.41Å; F208-L232 VanDerWaalsContact CD2-CD2 3.41Å; F208-L232 HydrophobicContact CE2-CD2 3.38Å; F208-L232 HydrophobicContact CG-CD2 4.42Å; F208-L232 HydrophobicContact CZ-CD2 4.37Å; F208-Q233 CarbonylContact C-O 3.53Å; F208-Q233 WeakPolarHBondContact CA-O 3.4Å; F208-Q233 WeakPolarHBondContact CB-O 3.35Å; F208-F234 HydrophobicContact CB-CD1 3.79Å; F208-F234 HydrophobicContact CB-CE1 3.82Å; F208-F234 HydrophobicContact CB-CG 4.41Å; F208-F234 HydrophobicContact CB-CZ 4.45Å; F208-F234 HydrophobicContact CG-CE1 4.47Å
209N97.4Very high89.6Confident1 Ų138.5 Ų38.51%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-114.2143.7174.7-55.2-46.6000110.3Y79 F174 L211 L232 Q233 E236Y79-N209 WeakPolarHBondContact CE1-OD1 3.28Å; Y79-N209 PolarHBondContact OH-ND2 3.23Å; F174-N209 CarbonylContact O-C 3.58Å; F174-N209 WeakPolarHBondContact O-CA 3.29Å; N209-L211 HydrophobicContact CB-CD2 4.39Å; N209-L232 WeakPolarHBondContact O-CA 3.41Å; N209-Q233 HydrophobicContact CB-CB 4.34Å; N209-Q233 PolarHBondContact N-O 3.3Å; N209-Q233 PolarHBondContact ND2-OE1 3.25Å; N209-Q233 PolarHBondContact O-N 3.35Å; N209-E236 PolarHBondContact ND2-OE2 3.18Å
210L97.2Very high87.5Confident0 Ų039.3 Ų39.30%024%0.243CC..EExtended strand (participates in β ladder)trans-101.2104.1169.3-70.6172.1000108.3F88 A98 L100 A173 F174 F208 W230 L232F88-L210 HydrophobicContact CD2-CD1 4.06Å; F88-L210 HydrophobicContact CD2-CD2 4.26Å; F88-L210 HydrophobicContact CE2-CD2 4.09Å; A98-L210 HydrophobicContact CB-CD2 4.04Å; L100-L210 HydrophobicContact CD1-CD1 4.12Å; L100-L210 HydrophobicContact CD2-CD1 3.59Å; L100-L210 HydrophobicContact CG-CD1 4.07Å; A173-L210 CarbonylContact C-O 3.6Å; A173-L210 WeakPolarHBondContact CA-O 3.34Å; A173-L210 VanDerWaalsContact CB-O 3.32Å; A173-L210 WeakPolarHBondContact CB-O 3.44Å; F174-L210 HydrophobicContact CB-CB 4.33Å; F174-L210 PolarHBondContact N-O 3.36Å; F174-L210 PolarHBondContact O-N 3.49Å; F208-L210 HydrophobicContact CD2-CD2 4.41Å; F208-L210 HydrophobicContact CD2-CG 4.4Å; F208-L210 HydrophobicContact CE2-CD1 4.47Å; F208-L210 HydrophobicContact CE2-CD2 3.81Å; F208-L210 HydrophobicContact CE2-CG 3.85Å; L210-W230 HydrophobicContact CB-CB 3.98Å; L210-W230 HydrophobicContact CB-CD2 4.35Å; L210-W230 HydrophobicContact CB-CE3 4.01Å; L210-W230 HydrophobicContact CB-CG 4.38Å; L210-W230 HydrophobicContact CD2-CB 3.84Å; L210-W230 HydrophobicContact CG-CB 4.45Å; L210-W230 VanDerWaalsContact O-CE3 3.24Å; L210-L232 HydrophobicContact CD2-CD2 3.73Å
211L97.3Very high85.4Confident4 Ų444.9 Ų44.92%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-89.3133.9-177.6-60.4179.8000111.3V77 T171 A173 N209 K213 V231 Q233V77-L211 HydrophobicContact CG1-CD2 3.88Å; V77-L211 HydrophobicContact CG2-CD2 4.1Å; T171-L211 HydrophobicContact CG2-CB 3.87Å; T171-L211 HydrophobicContact CG2-CD2 3.99Å; T171-L211 HydrophobicContact CG2-CG 4.38Å; A173-L211 HydrophobicContact CB-CD2 3.69Å; N209-L211 HydrophobicContact CB-CD2 4.39Å; L211-K213 HydrophobicContact CB-CB 4.04Å; L211-K213 HydrophobicContact CD1-CD 4.27Å; L211-K213 PolarHBondContact O-N 2.79Å; L211-V231 HydrophobicContact CB-CB 4.21Å; L211-V231 PolarHBondContact N-O 2.93Å; L211-V231 PolarHBondContact O-N 3.28Å; L211-Q233 HydrophobicContact CD1-CB 3.74Å; L211-Q233 HydrophobicContact CD1-CG 4.22Å; L211-Q233 HydrophobicContact CG-CB 4.02Å
212S96.5Very high83.1Confident0 Ų051.4 Ų51.40%029%0.286CS..  trans-78.564.2170.1-179.60000110.7A125 R129 P172A125-S212 PolarHBondContact O-OG 2.93Å; R129-S212 WeakPolarHBondContact CB-OG 3.21Å; R129-S212 WeakPolarHBondContact CD-O 3.42Å; R129-S212 VanDerWaalsContact NH1-C 3.29Å; R129-S212 PolarHBondContact NH1-O 2.78Å; P172-S212 WeakPolarHBondContact O-CB 3.19Å; P172-S212 PolarHBondContact O-N 3.31Å
213K93.1Very high81.3Confident38 Ų3850.2 Ų50.217%0.16529%0.286CS..  trans-128.2154.9-170.3-168.9171.6-171.9155.90111.3E75 E157 T171 L211 V231E75-K213 IonicContact OE1-NZ 3.77Å; E75-K213 PolarHBondContact OE1-NZ 3.47Å; E75-K213 IonicContact OE2-NZ 3.56Å; E75-K213 PolarHBondContact OE2-NZ 3.34Å; E157-K213 WeakPolarHBondContact OE1-CG 3.49Å; T171-K213 HydrophobicContact CG2-CB 4.16Å; L211-K213 HydrophobicContact CB-CB 4.04Å; L211-K213 HydrophobicContact CD1-CD 4.27Å; L211-K213 PolarHBondContact O-N 2.79Å; K213-V231 HydrophobicContact CB-CB 4.44Å; K213-V231 HydrophobicContact CB-CG2 4.23Å; K213-V231 WeakPolarHBondContact O-CG2 3.3Å
214E88Confident79.7Confident96 Ų9653.9 Ų53.945%0.44931%0.312SS..  trans-66.9133.9168.4-71.9-169.1171.200111.4S156 E157S156-E214 WeakPolarHBondContact CB-OE1 3.45Å; S156-E214 WeakPolarHBondContact OG-CG 2.97Å; S156-E214 PolarHBondContact OG-OE1 2.65Å; E157-E214 WeakPolarHBondContact OE1-CB 3.39Å; E157-E214 PolarHBondContact OE1-N 3.14Å
215C80.3Confident78.3Confident23 Ų2353.5 Ų53.516%0.15532%0.322CS..  trans-90.1114.2172.2-1650000110.5C97 S217 L218 A219 V231C97-C215 WeakPolarHBondContact SG-CB 3.48Å; C97-C215 PolarHBondContact SG-SG 3.33Å; C215-S217 PolarHBondContact O-N 3.22Å; C215-S217 PolarHBondContact SG-OG 3.43Å; C215-L218 HydrophobicContact CB-CB 4.37Å; C215-L218 HydrophobicContact CB-CD1 3.8Å; C215-L218 HydrophobicContact CB-CG 4.03Å; C215-L218 PolarHBondContact O-N 3.17Å; C215-A219 PolarHBondContact O-N 2.92Å; C215-V231 HydrophobicContact CB-CG2 3.86Å
216H70.9Confident77.1Confident139 Ų13952.3 Ų52.364%0.64431%0.306SS*.G310 helixtrans-65.9-26.1-178.4-65.372.6000112.5L218 A219H216-L218 PolarHBondContact O-N 2.86Å; H216-A219 WeakPolarHBondContact O-CB 3.36Å; H216-A219 PolarHBondContact O-N 3.44Å
217S65Low76.4Confident13 Ų1351.9 Ų51.99%0.09131%0.308CS..G310 helixtrans-67-16.5175.568.20000113.1P95 C215 Q328P95-S217 PolarHBondContact O-OG 2.96Å; C215-S217 PolarHBondContact O-N 3.22Å; C215-S217 PolarHBondContact SG-OG 3.43Å; S217-Q328 PolarHBondContact O-NE2 3.42Å
218L61.4Low76.1Confident14 Ų1452.7 Ų52.77%0.07331%0.313CS..G310 helixtrans-106-2179.3-53.1174.6000112L94 C215 H216 G220 K221 E226L94-L218 HydrophobicContact CD2-CD1 4.24Å; L94-L218 HydrophobicContact CD2-CD2 4.36Å; C215-L218 HydrophobicContact CB-CB 4.37Å; C215-L218 HydrophobicContact CB-CD1 3.8Å; C215-L218 HydrophobicContact CB-CG 4.03Å; C215-L218 PolarHBondContact O-N 3.17Å; H216-L218 PolarHBondContact O-N 2.86Å; L218-G220 PolarHBondContact O-N 3.33Å; L218-K221 PolarHBondContact O-N 3.34Å; L218-E226 HydrophobicContact CB-CB 4.31Å; L218-E226 HydrophobicContact CB-CG 4.5Å; L218-E226 HydrophobicContact CD1-CB 3.81Å; L218-E226 HydrophobicContact CD1-CG 3.97Å; L218-E226 HydrophobicContact CD2-CG 4.17Å; L218-E226 HydrophobicContact CG-CB 4.5Å; L218-E226 HydrophobicContact CG-CG 4.43Å
219A58.1Low76Confident82 Ų8252.8 Ų52.868%0.67831%0.313SS*.THydrogen-bonded Turntrans-59.4123.6-179.700000110.9C215 H216C215-A219 PolarHBondContact O-N 2.92Å; H216-A219 WeakPolarHBondContact O-CB 3.36Å; H216-A219 PolarHBondContact O-N 3.44Å
220G53Low75.9Confident80 Ų8052.7 Ų52.783%0.82531%0.313SS*.THydrogen-bonded Turntrans97.7-13.8-176.600000115.1L218L218-G220 PolarHBondContact O-N 3.33Å
221K53.4Low75.8Confident137 Ų13753.8 Ų53.860%0.59632%0.32SS*.  trans-89.4108.6169-63-178.4179.9177.90108.3L218 S223 E226L218-K221 PolarHBondContact O-N 3.34Å; K221-S223 PolarHBondContact O-N 2.89Å; K221-S223 VanDerWaalsContact O-N 3.11Å; K221-E226 WeakPolarHBondContact CB-OE2 3.49Å; K221-E226 VanDerWaalsContact CD-OE1 3.24Å; K221-E226 WeakPolarHBondContact CD-OE1 3.46Å
222Q48.8Very low75.8Confident200 Ų20054.1 Ų54.194%0.93532%0.321SS*.  trans-82.332.7-173.4-70.4-177.2-8.300113.3
223S60.7Low75.8Confident51 Ų5155.6 Ų55.636%0.35733%0.328SS..  trans-82.6135.1174.984.40000110.3K221 A225 E226K221-S223 PolarHBondContact O-N 2.89Å; K221-S223 VanDerWaalsContact O-N 3.11Å; S223-A225 PolarHBondContact O-N 3.39Å; S223-E226 WeakPolarHBondContact CB-OE2 3.44Å; S223-E226 PolarHBondContact N-OE2 2.98Å; S223-E226 PolarHBondContact O-N 2.78Å; S223-E226 WeakPolarHBondContact OG-CB 3.25Å; S223-E226 WeakPolarHBondContact OG-CG 3.32Å; S223-E226 PolarHBondContact OG-N 3.2Å; S223-E226 PolarHBondContact OG-OE2 3.4Å
224S65.4Low76Confident77 Ų7753.9 Ų53.954%0.53832%0.321SS..Hα-helixtrans-58.5-35.5174.650.80000111.9E226 S227 D228S224-E226 PolarHBondContact O-N 2.97Å; S224-S227 PolarHBondContact O-N 3.05Å; S224-S227 PolarHBondContact O-OG 3.48Å; S224-D228 VanDerWaalsContact O-CG 3.27Å; S224-D228 PolarHBondContact O-N 3.12Å
225A67.3Low76.4Confident63 Ų6349.5 Ų49.552%0.52130%0.301SS..Hα-helixtrans-62.1-42-178.600000113.2S223 S227 D228 A229S223-A225 PolarHBondContact O-N 3.39Å; A225-S227 VanDerWaalsContact C-N 3.33Å; A225-S227 PolarHBondContact O-N 2.66Å; A225-D228 PolarHBondContact O-N 2.96Å; A225-A229 PolarHBondContact O-N 3.41Å
226E73.9Confident77.2Confident32 Ų3250.1 Ų50.115%0.1530%0.302CS..Hα-helixtrans-64.1-38.4178.4-74.8163.4147.800111.9L94 L218 K221 S223 S224 D228 A229L94-E226 HydrophobicContact CD2-CG 3.81Å; L218-E226 HydrophobicContact CB-CB 4.31Å; L218-E226 HydrophobicContact CB-CG 4.5Å; L218-E226 HydrophobicContact CD1-CB 3.81Å; L218-E226 HydrophobicContact CD1-CG 3.97Å; L218-E226 HydrophobicContact CD2-CG 4.17Å; L218-E226 HydrophobicContact CG-CB 4.5Å; L218-E226 HydrophobicContact CG-CG 4.43Å; K221-E226 WeakPolarHBondContact CB-OE2 3.49Å; K221-E226 VanDerWaalsContact CD-OE1 3.24Å; K221-E226 WeakPolarHBondContact CD-OE1 3.46Å; S223-E226 WeakPolarHBondContact CB-OE2 3.44Å; S223-E226 PolarHBondContact N-OE2 2.98Å; S223-E226 PolarHBondContact O-N 2.78Å; S223-E226 WeakPolarHBondContact OG-CB 3.25Å; S223-E226 WeakPolarHBondContact OG-CG 3.32Å; S223-E226 PolarHBondContact OG-N 3.2Å; S223-E226 PolarHBondContact OG-OE2 3.4Å; S224-E226 PolarHBondContact O-N 2.97Å; E226-D228 VanDerWaalsContact C-N 3.29Å; E226-D228 PolarHBondContact O-N 3.22Å; E226-A229 WeakPolarHBondContact O-CB 3.45Å; E226-A229 PolarHBondContact O-N 3.38Å
227S82.1Confident78.5Confident36 Ų3643.5 Ų43.525%0.25227%0.271SS..Hα-helixtrans-73.4-20.7178.169.60000114R126 S224 A225 A229R126-S227 WeakPolarHBondContact CB-O 3.47Å; R126-S227 PolarHBondContact N-O 3.5Å; R126-S227 PolarHBondContact NE-OG 3.18Å; R126-S227 VanDerWaalsContact NE-OG 3.15Å; R126-S227 PolarHBondContact NH1-OG 3.19Å; R126-S227 PolarHBondContact NH2-OG 2.87Å; S224-S227 PolarHBondContact O-N 3.05Å; S224-S227 PolarHBondContact O-OG 3.48Å; A225-S227 VanDerWaalsContact C-N 3.33Å; A225-S227 PolarHBondContact O-N 2.66Å; S227-A229 VanDerWaalsContact C-N 3.33Å
228D91.7Very high80.1Confident19 Ų1943.2 Ų43.210%0.10227%0.268CS..Hα-helixtrans-86.1-9.3177.8-66.8-26.4000112.1T118 S124 A125 R126 S224 A225 E226T118-D228 HydrophobicContact CG2-CB 4.48Å; T118-D228 WeakPolarHBondContact CG2-OD2 3.47Å; S124-D228 WeakPolarHBondContact CB-OD1 3.33Å; S124-D228 PolarHBondContact OG-OD1 2.81Å; A125-D228 PolarHBondContact N-O 2.83Å; A125-D228 VanDerWaalsContact N-O 3.11Å; R126-D228 IonicContact CZ-OD1 3.32Å; R126-D228 IonicContact NE-OD1 3.1Å; R126-D228 PolarHBondContact NE-OD1 2.8Å; R126-D228 IonicContact NH2-OD1 2.82Å; R126-D228 PolarHBondContact NH2-OD1 2.94Å; R126-D228 IonicContact NH2-OD2 3.52Å; S224-D228 VanDerWaalsContact O-CG 3.27Å; S224-D228 PolarHBondContact O-N 3.12Å; A225-D228 PolarHBondContact O-N 2.96Å; E226-D228 VanDerWaalsContact C-N 3.29Å; E226-D228 PolarHBondContact O-N 3.22Å
229A94.1Very high81.7Confident3 Ų345.9 Ų45.93%0.02528%0.282CS..SBendtrans-76.6159.117800000113.2L94 C97 V99 A125 A225 E226 S227L94-A229 HydrophobicContact CD1-CB 3.43Å; L94-A229 VanDerWaalsContact CD1-CB 3.43Å; C97-A229 HydrophobicContact CB-CB 4.01Å; V99-A229 HydrophobicContact CG1-CB 4.08Å; A125-A229 WeakPolarHBondContact CB-O 3.33Å; A225-A229 PolarHBondContact O-N 3.41Å; E226-A229 WeakPolarHBondContact O-CB 3.45Å; E226-A229 PolarHBondContact O-N 3.38Å; S227-A229 VanDerWaalsContact C-N 3.33Å
230W95.6Very high83.6Confident0 Ų046.2 Ų46.20%027%0.266CS..EExtended strand (participates in β ladder)trans-107.1133.6-178.1-65.275.4000110C97 A98 L100 L123 A125 I128 F174 L210C97-W230 CarbonylContact C-O 3.37Å; C97-W230 WeakPolarHBondContact CA-O 3.33Å; C97-W230 VanDerWaalsContact CB-O 3.31Å; C97-W230 WeakPolarHBondContact CB-O 3.25Å; A98-W230 PolarHBondContact N-O 2.87Å; A98-W230 PolarHBondContact O-N 2.83Å; L100-W230 HydrophobicContact CD1-CD2 4.24Å; L100-W230 HydrophobicContact CD1-CG 4.47Å; L100-W230 HydrophobicContact CD1-CZ2 4.19Å; L123-W230 HydrophobicContact CD2-CZ2 3.95Å; L123-W230 HydrophobicContact CG-CZ2 4.04Å; L123-W230 PolarHBondContact O-NE1 2.88Å; A125-W230 HydrophobicContact CB-CD2 3.92Å; A125-W230 HydrophobicContact CB-CE3 4.42Å; A125-W230 HydrophobicContact CB-CG 4.11Å; A125-W230 HydrophobicContact CB-CZ2 4.32Å; I128-W230 HydrophobicContact CD1-CH2 3.74Å; I128-W230 HydrophobicContact CD1-CZ2 3.79Å; F174-W230 HydrophobicContact CD2-CE3 4.28Å; F174-W230 AromaticContact CD2-CH2 3.63Å; F174-W230 HydrophobicContact CD2-CH2 3.63Å; F174-W230 HydrophobicContact CD2-CZ2 4.12Å; F174-W230 AromaticContact CD2-CZ3 3.72Å; F174-W230 HydrophobicContact CD2-CZ3 3.72Å; F174-W230 AromaticContact CE2-CH2 3.34Å; F174-W230 HydrophobicContact CE2-CH2 3.34Å; F174-W230 AromaticContact CE2-CZ2 3.7Å; F174-W230 HydrophobicContact CE2-CZ2 3.7Å; F174-W230 AromaticContact CE2-CZ3 3.94Å; F174-W230 HydrophobicContact CE2-CZ3 3.94Å; F174-W230 HydrophobicContact CZ-CH2 4.44Å; L210-W230 HydrophobicContact CB-CB 3.98Å; L210-W230 HydrophobicContact CB-CD2 4.35Å; L210-W230 HydrophobicContact CB-CE3 4.01Å; L210-W230 HydrophobicContact CB-CG 4.38Å; L210-W230 HydrophobicContact CD2-CB 3.84Å; L210-W230 HydrophobicContact CG-CB 4.45Å; L210-W230 VanDerWaalsContact O-CE3 3.24Å
231V95.5Very high85.7Confident23 Ų2342.4 Ų42.414%0.13923%0.227CC..EExtended strand (participates in β ladder)trans-79.9132.4-179.7173.40000109.9L211 K213 C215L211-V231 HydrophobicContact CB-CB 4.21Å; L211-V231 PolarHBondContact N-O 2.93Å; L211-V231 PolarHBondContact O-N 3.28Å; K213-V231 HydrophobicContact CB-CB 4.44Å; K213-V231 HydrophobicContact CB-CG2 4.23Å; K213-V231 WeakPolarHBondContact O-CG2 3.3Å; C215-V231 HydrophobicContact CB-CG2 3.86Å
232L96.4Very high87.6Confident10 Ų1036 Ų365%0.05220%0.199CC..EExtended strand (participates in β ladder)trans-77.8134.1175.5-64169.4000110.5F88 G96 A98 P181 F208 N209 L210 F234 L321F88-L232 HydrophobicContact CE2-CD2 4.16Å; G96-L232 PolarHBondContact O-N 3.21Å; A98-L232 HydrophobicContact CB-CD2 4.19Å; P181-L232 HydrophobicContact CB-CD1 4.47Å; P181-L232 HydrophobicContact CB-CD2 4.49Å; F208-L232 HydrophobicContact CD2-CD2 3.41Å; F208-L232 VanDerWaalsContact CD2-CD2 3.41Å; F208-L232 HydrophobicContact CE2-CD2 3.38Å; F208-L232 HydrophobicContact CG-CD2 4.42Å; F208-L232 HydrophobicContact CZ-CD2 4.37Å; N209-L232 WeakPolarHBondContact O-CA 3.41Å; L210-L232 HydrophobicContact CD2-CD2 3.73Å; L232-F234 HydrophobicContact CB-CE2 4.03Å; L232-F234 HydrophobicContact CB-CZ 4.41Å; L232-L321 HydrophobicContact CB-CD1 4.33Å; L232-L321 HydrophobicContact CD1-CD1 4.2Å; L232-L321 HydrophobicContact CD1-CD2 4.49Å
233Q97.2Very high89.8Confident32 Ų3229.1 Ų29.115%0.1517%0.168CC..EExtended strand (participates in β ladder)trans-136.5137.3173.7-176.3-166.149.600110.7F208 N209 L211 A235F208-Q233 CarbonylContact C-O 3.53Å; F208-Q233 WeakPolarHBondContact CA-O 3.4Å; F208-Q233 WeakPolarHBondContact CB-O 3.35Å; N209-Q233 HydrophobicContact CB-CB 4.34Å; N209-Q233 PolarHBondContact N-O 3.3Å; N209-Q233 PolarHBondContact ND2-OE1 3.25Å; N209-Q233 PolarHBondContact O-N 3.35Å; L211-Q233 HydrophobicContact CD1-CB 3.74Å; L211-Q233 HydrophobicContact CD1-CG 4.22Å; L211-Q233 HydrophobicContact CG-CB 4.02Å; Q233-A235 HydrophobicContact CG-CB 4.3Å
234F97.8Very high91.5Very high1 Ų128.6 Ų28.60%0.00417%0.17CC..  trans-115.934.1-173.4-60.9-93.5000112.8W180 P181 A184 F208 L232 E236 A237 E238 H318 F320 L321W180-F234 AromaticContact CH2-CD1 3.76Å; W180-F234 HydrophobicContact CH2-CD1 3.76Å; W180-F234 AromaticContact CH2-CE1 3.99Å; W180-F234 HydrophobicContact CH2-CE1 3.99Å; W180-F234 HydrophobicContact CZ2-CD1 4.34Å; W180-F234 HydrophobicContact CZ2-CE1 4.17Å; W180-F234 HydrophobicContact CZ3-CD1 4.07Å; W180-F234 HydrophobicContact CZ3-CE1 4.3Å; P181-F234 HydrophobicContact CG-CE1 3.52Å; P181-F234 HydrophobicContact CG-CZ 3.53Å; A184-F234 HydrophobicContact CB-CE1 4.41Å; A184-F234 HydrophobicContact CB-CZ 4.27Å; F208-F234 HydrophobicContact CB-CD1 3.79Å; F208-F234 HydrophobicContact CB-CE1 3.82Å; F208-F234 HydrophobicContact CB-CG 4.41Å; F208-F234 HydrophobicContact CB-CZ 4.45Å; F208-F234 HydrophobicContact CG-CE1 4.47Å; L232-F234 HydrophobicContact CB-CE2 4.03Å; L232-F234 HydrophobicContact CB-CZ 4.41Å; F234-E236 PolarHBondContact O-N 3.34Å; F234-A237 HydrophobicContact CB-CB 4.2Å; F234-A237 PolarHBondContact O-N 3.48Å; F234-E238 HydrophobicContact CB-CG 4.16Å; F234-E238 WeakPolarHBondContact O-CB 3.38Å; F234-E238 WeakPolarHBondContact O-CG 3.46Å; F234-E238 PolarHBondContact O-N 2.85Å; F234-H318 AromaticContact CD2-CE1 3.62Å; F234-H318 AromaticContact CD2-NE2 3.9Å; F234-H318 AromaticContact CE2-CE1 3.86Å; F234-F320 HydrophobicContact CB-CD2 3.62Å; F234-F320 HydrophobicContact CB-CE2 3.76Å; F234-F320 AromaticContact CD1-CD2 3.85Å; F234-F320 HydrophobicContact CD1-CD2 3.85Å; F234-F320 HydrophobicContact CD1-CE2 4.35Å; F234-F320 HydrophobicContact CD1-CG 4.37Å; F234-F320 HydrophobicContact CD2-CB 4.44Å; F234-F320 HydrophobicContact CD2-CD2 4.06Å; F234-F320 HydrophobicContact CE1-CB 4.4Å; F234-F320 HydrophobicContact CE2-CB 4.32Å; F234-F320 AromaticContact CG-CD2 3.58Å; F234-F320 HydrophobicContact CG-CD2 3.58Å; F234-F320 HydrophobicContact CG-CE2 4.16Å; F234-F320 HydrophobicContact CG-CG 4.4Å; F234-F320 HydrophobicContact CZ-CB 4.29Å; F234-L321 HydrophobicContact CE2-CD1 3.72Å; F234-L321 HydrophobicContact CE2-CG 3.96Å; F234-L321 HydrophobicContact CZ-CD1 4.34Å; F234-L321 HydrophobicContact CZ-CD2 4.44Å; F234-L321 HydrophobicContact CZ-CG 4.29Å
235A96.2Very high92.9Very high4 Ų427.4 Ų27.43%0.03317%0.17CC..Hα-helixtrans-53.7-51.5-168.400000113.3Q233 N239Q233-A235 HydrophobicContact CG-CB 4.3Å; A235-N239 WeakPolarHBondContact O-CB 3.42Å; A235-N239 PolarHBondContact O-N 2.83Å; A235-N239 PolarHBondContact O-ND2 2.92Å; A235-N239 VanDerWaalsContact O-ND2 3.15Å
236E96.6Very high94.4Very high37 Ų3724.4 Ų24.417%0.17315%0.145CC..Hα-helixtrans-65.1-47.3179-68.582.5174.200112Y79 K175 E206 N209 F234 E238 N239 R240Y79-E236 PolarHBondContact OH-OE1 3.38Å; K175-E236 IonicContact NZ-OE1 3.24Å; E206-E236 HydrophobicContact CB-CB 4Å; E206-E236 HydrophobicContact CG-CB 4.29Å; N209-E236 PolarHBondContact ND2-OE2 3.18Å; F234-E236 PolarHBondContact O-N 3.34Å; E236-E238 PolarHBondContact O-N 2.92Å; E236-N239 PolarHBondContact O-N 3.07Å; E236-N239 VanDerWaalsContact O-N 3.16Å; E236-R240 WeakPolarHBondContact O-CB 3.5Å; E236-R240 PolarHBondContact O-N 2.77Å
237A98.1Very high95.6Very high0 Ų023 Ų230%014%0.138CC..Hα-helixtrans-56.5-46.2176.500000112.1W180 V203 E206 F234 R240 L241 F320W180-A237 HydrophobicContact CH2-CB 4.18Å; W180-A237 HydrophobicContact CZ3-CB 4.09Å; V203-A237 HydrophobicContact CG1-CB 3.85Å; E206-A237 HydrophobicContact CB-CB 4.25Å; F234-A237 HydrophobicContact CB-CB 4.2Å; F234-A237 PolarHBondContact O-N 3.48Å; A237-R240 PolarHBondContact O-N 3.41Å; A237-L241 VanDerWaalsContact O-CB 3.3Å; A237-L241 WeakPolarHBondContact O-CB 3.4Å; A237-L241 PolarHBondContact O-N 3.29Å; A237-F320 HydrophobicContact CB-CE2 4.25Å; A237-F320 HydrophobicContact CB-CZ 4.42Å
238E98Very high96.3Very high7 Ų726.8 Ų26.83%0.03315%0.15CC..Hα-helixtrans-66.7-40175.9-66.1169.1164.800112.3F234 E236 R240 L241 Q242 Y272 K275 F320F234-E238 HydrophobicContact CB-CG 4.16Å; F234-E238 WeakPolarHBondContact O-CB 3.38Å; F234-E238 WeakPolarHBondContact O-CG 3.46Å; F234-E238 PolarHBondContact O-N 2.85Å; E236-E238 PolarHBondContact O-N 2.92Å; E238-R240 VanDerWaalsContact C-N 3.3Å; E238-R240 PolarHBondContact O-N 2.94Å; E238-L241 PolarHBondContact O-N 3.48Å; E238-Q242 WeakPolarHBondContact O-CG 3.26Å; E238-Q242 PolarHBondContact O-N 3.31Å; E238-Y272 WeakPolarHBondContact OE1-CE2 3.31Å; E238-Y272 VanDerWaalsContact OE1-CZ 3.29Å; E238-Y272 PolarHBondContact OE1-OH 3.48Å; E238-Y272 WeakPolarHBondContact OE2-CE2 3.5Å; E238-K275 HydrophobicContact CB-CD 4.42Å; E238-K275 VanDerWaalsContact CB-NZ 3.32Å; E238-K275 WeakPolarHBondContact OE2-CD 3.11Å; E238-K275 WeakPolarHBondContact OE2-CE 3.32Å; E238-K275 IonicContact OE2-NZ 2.84Å; E238-K275 PolarHBondContact OE2-NZ 2.82Å; E238-F320 HydrophobicContact CG-CD2 4.37Å; E238-F320 HydrophobicContact CG-CE2 3.7Å
239N96.3Very high96.6Very high69 Ų6927.4 Ų27.437%0.36915%0.152SC..Hα-helixtrans-64.7-37.1178.1-74.1-22.7000111.6A235 E236 M243 K275A235-N239 WeakPolarHBondContact O-CB 3.42Å; A235-N239 PolarHBondContact O-N 2.83Å; A235-N239 PolarHBondContact O-ND2 2.92Å; A235-N239 VanDerWaalsContact O-ND2 3.15Å; E236-N239 PolarHBondContact O-N 3.07Å; E236-N239 VanDerWaalsContact O-N 3.16Å; N239-M243 WeakPolarHBondContact O-CG 3.44Å; N239-K275 WeakPolarHBondContact OD1-CE 3.44Å; N239-K275 PolarHBondContact OD1-NZ 2.86Å
240R97.2Very high96.8Very high89 Ų8927.2 Ų27.234%0.33615%0.151SC..Hα-helixtrans-67.3-40.8173.9-175.765.558.7-168.4-2.7111.7R199 E202 V203 E206 E236 A237 E238R199-R240 WeakPolarHBondContact CD-O 3.34Å; R199-R240 PolarHBondContact NH1-O 3.12Å; E202-R240 HydrophobicContact CB-CG 3.94Å; E202-R240 WeakPolarHBondContact OE2-CD 3.4Å; V203-R240 HydrophobicContact CG2-CB 4.21Å; V203-R240 HydrophobicContact CG2-CG 4Å; E206-R240 HydrophobicContact CG-CB 4.04Å; E206-R240 HydrophobicContact CG-CG 4.18Å; E206-R240 IonicContact OE1-CZ 3.43Å; E206-R240 IonicContact OE1-NE 3.55Å; E206-R240 PolarHBondContact OE1-NE 3.46Å; E206-R240 IonicContact OE1-NH2 3.65Å; E206-R240 PolarHBondContact OE1-NH2 3.25Å; E236-R240 WeakPolarHBondContact O-CB 3.5Å; E236-R240 PolarHBondContact O-N 2.77Å; A237-R240 PolarHBondContact O-N 3.41Å; E238-R240 VanDerWaalsContact C-N 3.3Å; E238-R240 PolarHBondContact O-N 2.94Å
241L96.6Very high97Very high1 Ų128 Ų281%0.00516%0.155CC..Hα-helixtrans-66.5-37.3-179.9-176.563.3000112.5W187 W194 P195 R199 V203 A237 E238 M243 Y319 F320W187-L241 HydrophobicContact CZ2-CD1 4.1Å; W187-L241 HydrophobicContact CZ2-CD2 4.44Å; W194-L241 HydrophobicContact CH2-CD1 3.44Å; W194-L241 VanDerWaalsContact CH2-CD1 3.44Å; W194-L241 HydrophobicContact CH2-CD2 3.64Å; W194-L241 HydrophobicContact CH2-CG 3.38Å; W194-L241 HydrophobicContact CZ2-CD1 3.58Å; W194-L241 HydrophobicContact CZ2-CG 3.77Å; W194-L241 HydrophobicContact CZ3-CD1 4.06Å; W194-L241 HydrophobicContact CZ3-CD2 4.14Å; W194-L241 HydrophobicContact CZ3-CG 4.25Å; P195-L241 HydrophobicContact CB-CD1 3.78Å; P195-L241 HydrophobicContact CG-CD1 3.61Å; R199-L241 HydrophobicContact CG-CD1 4.31Å; V203-L241 HydrophobicContact CG2-CB 3.87Å; V203-L241 HydrophobicContact CG2-CD1 4.14Å; A237-L241 VanDerWaalsContact O-CB 3.3Å; A237-L241 WeakPolarHBondContact O-CB 3.4Å; A237-L241 PolarHBondContact O-N 3.29Å; E238-L241 PolarHBondContact O-N 3.48Å; L241-M243 VanDerWaalsContact C-N 3.26Å; L241-M243 PolarHBondContact O-N 3.11Å; L241-Y319 HydrophobicContact CD2-CD1 3.97Å; L241-Y319 HydrophobicContact CD2-CE1 3.29Å; L241-F320 HydrophobicContact CD2-CE1 4.43Å; L241-F320 HydrophobicContact CD2-CZ 4.06Å
242Q94.9Very high97.1Very high3 Ų327.2 Ų27.21%0.01415%0.151CC..THydrogen-bonded Turntrans-86.518.2-176-66.4-178.4-17.700114.5E238 K275 S279E238-Q242 WeakPolarHBondContact O-CG 3.26Å; E238-Q242 PolarHBondContact O-N 3.31Å; Q242-K275 PolarHBondContact NE2-O 2.93Å; Q242-S279 PolarHBondContact NE2-OG 2.8Å
243M95.1Very high97.2Very high55 Ų5526.8 Ų26.827%0.27115%0.148SC..  trans-82.3151173.8-63.1-157.1-57.500111.7N239 L241 R247N239-M243 WeakPolarHBondContact O-CG 3.44Å; L241-M243 VanDerWaalsContact C-N 3.26Å; L241-M243 PolarHBondContact O-N 3.11Å; M243-R247 PolarHBondContact O-NH1 2.99Å
244G94.8Very high97.3Very high40 Ų4025.4 Ų25.441%0.41214%0.142SC..SBendtrans93.6150.4179.500000113.9R247G244-R247 VanDerWaalsContact C-NH1 3.34Å; G244-R247 WeakPolarHBondContact O-CB 3.37Å; G244-R247 WeakPolarHBondContact O-CD 3.33Å; G244-R247 WeakPolarHBondContact O-CG 3.32Å; G244-R247 PolarHBondContact O-NH1 3.01Å; G244-R247 VanDerWaalsContact O-NH1 3.15Å
245G96.4Very high97.3Very high51 Ų5127.5 Ų27.553%0.52615%0.151SC..THydrogen-bonded Turntrans54.9-155-177.900000113.9R247 W291G245-R247 PolarHBondContact O-N 2.93Å; G245-W291 CarbonylContact C-O 3.46Å; G245-W291 VanDerWaalsContact CA-O 3.25Å; G245-W291 WeakPolarHBondContact CA-O 3.35Å
246C97.8Very high97.4Very high1 Ų127.5 Ų27.51%0.00715%0.151CC..THydrogen-bonded Turntrans-84.111.2178.774.10000113.2K248 K249 C250 W291 L296C246-K248 PolarHBondContact O-N 3.35Å; C246-K249 WeakPolarHBondContact O-CB 3.48Å; C246-K249 PolarHBondContact O-N 2.84Å; C246-K249 VanDerWaalsContact O-N 3.09Å; C246-C250 WeakPolarHBondContact O-CB 3.45Å; C246-C250 PolarHBondContact O-N 3.06Å; C246-W291 PolarHBondContact N-O 3.24Å; C246-W291 PolarHBondContact SG-O 3.45Å; C246-W291 VanDerWaalsContact SG-O 3.34Å; C246-L296 HydrophobicContact CB-CD1 4.18Å
247R98.2Very high97.5Very high1 Ų125.8 Ų25.80%0.00414%0.143CC..Hα-helixtrans-53.6-52.9-174.4-69175.8-176.2104.7-7.8113M243 G244 G245 K249 C250 L251 C282 E288 W291M243-R247 PolarHBondContact O-NH1 2.99Å; G244-R247 VanDerWaalsContact C-NH1 3.34Å; G244-R247 WeakPolarHBondContact O-CB 3.37Å; G244-R247 WeakPolarHBondContact O-CD 3.33Å; G244-R247 WeakPolarHBondContact O-CG 3.32Å; G244-R247 PolarHBondContact O-NH1 3.01Å; G244-R247 VanDerWaalsContact O-NH1 3.15Å; G245-R247 PolarHBondContact O-N 2.93Å; R247-K249 VanDerWaalsContact C-N 3.3Å; R247-K249 PolarHBondContact O-N 3.19Å; R247-C250 WeakPolarHBondContact O-CB 3.4Å; R247-C250 PolarHBondContact O-N 3.47Å; R247-L251 PolarHBondContact O-N 2.89Å; R247-C282 PolarHBondContact NE-SG 3.39Å; R247-C282 VanDerWaalsContact NE-SG 3.39Å; R247-E288 IonicContact CZ-OE1 2.84Å; R247-E288 IonicContact CZ-OE2 2.71Å; R247-E288 IonicContact NH1-OE1 3.27Å; R247-E288 PolarHBondContact NH1-OE1 2.75Å; R247-E288 IonicContact NH1-OE2 3.72Å; R247-E288 PolarHBondContact NH1-OE2 3.44Å; R247-E288 IonicContact NH2-OE1 2.64Å; R247-E288 PolarHBondContact NH2-OE1 3.16Å; R247-E288 IonicContact NH2-OE2 2.97Å; R247-W291 HydrophobicContact CB-CE3 4.15Å; R247-W291 HydrophobicContact CB-CZ3 4.36Å; R247-W291 HydrophobicContact CG-CB 4.39Å; R247-W291 HydrophobicContact CG-CD2 3.48Å; R247-W291 VanDerWaalsContact CG-CD2 3.48Å; R247-W291 HydrophobicContact CG-CE3 3.27Å; R247-W291 HydrophobicContact CG-CG 3.97Å; R247-W291 HydrophobicContact CG-CH2 4.37Å; R247-W291 HydrophobicContact CG-CZ3 3.74Å; R247-W291 VanDerWaalsContact NH2-CD1 3.29Å
248K97.8Very high97.5Very high116 Ų11626.6 Ų26.650%0.50415%0.146SC..Hα-helixtrans-65.8-31.8178-71.9-173.9177.1177.20113.1C246 S252C246-K248 PolarHBondContact O-N 3.35Å; K248-S252 WeakPolarHBondContact O-CB 3.5Å; K248-S252 PolarHBondContact O-N 3.01Å
249K98.2Very high97.4Very high32 Ų3227.3 Ų27.314%0.13915%0.15CC..Hα-helixtrans-69.7-46.2176.2-173.5176.3-178.5177.80110.8N13 Y16 C246 R247 L251 S252 I253 E293 L296N13-K249 VanDerWaalsContact OD1-CE 3.22Å; N13-K249 WeakPolarHBondContact OD1-CE 3.36Å; N13-K249 PolarHBondContact OD1-NZ 3.43Å; Y16-K249 HydrophobicContact CD1-CD 4.41Å; Y16-K249 HydrophobicContact CD1-CG 4.26Å; Y16-K249 HydrophobicContact CD2-CG 3.63Å; Y16-K249 HydrophobicContact CE1-CG 4.33Å; Y16-K249 HydrophobicContact CE2-CB 4.34Å; Y16-K249 HydrophobicContact CE2-CG 3.74Å; Y16-K249 HydrophobicContact CG-CD 4.42Å; Y16-K249 HydrophobicContact CG-CG 3.91Å; C246-K249 WeakPolarHBondContact O-CB 3.48Å; C246-K249 PolarHBondContact O-N 2.84Å; C246-K249 VanDerWaalsContact O-N 3.09Å; R247-K249 VanDerWaalsContact C-N 3.3Å; R247-K249 PolarHBondContact O-N 3.19Å; K249-L251 PolarHBondContact O-N 2.94Å; K249-S252 WeakPolarHBondContact O-CB 3.37Å; K249-S252 PolarHBondContact O-N 3.12Å; K249-S252 VanDerWaalsContact O-N 3.14Å; K249-I253 WeakPolarHBondContact O-CG1 3.32Å; K249-I253 PolarHBondContact O-N 3.37Å; K249-E293 WeakPolarHBondContact CD-OE2 3.38Å; K249-E293 IonicContact NZ-OE1 2.65Å; K249-E293 IonicContact NZ-OE2 3.75Å; K249-E293 PolarHBondContact NZ-OE2 3.3Å; K249-L296 HydrophobicContact CD-CD2 4.03Å; K249-L296 HydrophobicContact CG-CD2 4.31Å
250C98.6Very high97.4Very high0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-56.2-50.4173-169.30000111.1C246 R247 S252 I253 L254 W291 L296C246-C250 WeakPolarHBondContact O-CB 3.45Å; C246-C250 PolarHBondContact O-N 3.06Å; R247-C250 WeakPolarHBondContact O-CB 3.4Å; R247-C250 PolarHBondContact O-N 3.47Å; C250-S252 VanDerWaalsContact C-N 3.29Å; C250-S252 PolarHBondContact O-N 2.89Å; C250-I253 PolarHBondContact O-N 2.84Å; C250-I253 VanDerWaalsContact O-N 3.13Å; C250-L254 WeakPolarHBondContact O-CG 3.37Å; C250-L254 PolarHBondContact O-N 2.77Å; C250-W291 HydrophobicContact CB-CZ3 4.49Å; C250-L296 HydrophobicContact CB-CD1 3.65Å
251L98.6Very high97.3Very high15 Ų1527.5 Ų27.58%0.07915%0.147CC..Hα-helixtrans-58.2-40.8175.3-17957.2000112.4R247 K249 I253 L254 K255 M274 K275 V278R247-L251 PolarHBondContact O-N 2.89Å; K249-L251 PolarHBondContact O-N 2.94Å; L251-I253 VanDerWaalsContact C-N 3.33Å; L251-I253 PolarHBondContact O-N 2.94Å; L251-L254 PolarHBondContact O-N 2.97Å; L251-K255 HydrophobicContact CD1-CD 4.42Å; L251-K255 HydrophobicContact CD1-CG 4.12Å; L251-K255 HydrophobicContact CG-CD 4.35Å; L251-K255 HydrophobicContact CG-CG 4.42Å; L251-K255 WeakPolarHBondContact O-CG 3.39Å; L251-K255 PolarHBondContact O-N 3.02Å; L251-M274 HydrophobicContact CD1-CB 3.89Å; L251-K275 HydrophobicContact CD1-CB 4.18Å; L251-K275 HydrophobicContact CD2-CB 4.36Å; L251-K275 HydrophobicContact CD2-CG 4.04Å; L251-V278 HydrophobicContact CB-CG2 4.2Å; L251-V278 HydrophobicContact CD1-CG2 4.19Å
252S98.4Very high97.3Very high8 Ų827.6 Ų27.66%0.05615%0.147CC..Hα-helixtrans-63.4-39177.6-171.40000112.6K24 K248 K249 C250 T256K24-S252 WeakPolarHBondContact CE-OG 3.28Å; K248-S252 WeakPolarHBondContact O-CB 3.5Å; K248-S252 PolarHBondContact O-N 3.01Å; K249-S252 WeakPolarHBondContact O-CB 3.37Å; K249-S252 PolarHBondContact O-N 3.12Å; K249-S252 VanDerWaalsContact O-N 3.14Å; C250-S252 VanDerWaalsContact C-N 3.29Å; C250-S252 PolarHBondContact O-N 2.89Å; S252-T256 WeakPolarHBondContact O-CB 3.49Å; S252-T256 PolarHBondContact O-N 3.35Å; S252-T256 VanDerWaalsContact O-N 3.12Å; S252-T256 PolarHBondContact O-OG1 3.15Å
253I98.6Very high97.3Very high0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-65.5-48.8175.5-67.1169000109.4L12 Y15 Y16 K249 C250 L251 K255 T256 L257 L296 L300L12-I253 HydrophobicContact CB-CD1 4.33Å; L12-I253 HydrophobicContact CD2-CD1 4.26Å; L12-I253 HydrophobicContact CD2-CG2 4.32Å; Y15-I253 HydrophobicContact CD1-CG1 4.37Å; Y15-I253 HydrophobicContact CD1-CG2 4.14Å; Y15-I253 HydrophobicContact CE1-CG2 4.2Å; Y16-I253 HydrophobicContact CD2-CG1 4.23Å; K249-I253 WeakPolarHBondContact O-CG1 3.32Å; K249-I253 PolarHBondContact O-N 3.37Å; C250-I253 PolarHBondContact O-N 2.84Å; C250-I253 VanDerWaalsContact O-N 3.13Å; L251-I253 VanDerWaalsContact C-N 3.33Å; L251-I253 PolarHBondContact O-N 2.94Å; I253-K255 PolarHBondContact O-N 3.5Å; I253-T256 PolarHBondContact O-N 2.93Å; I253-T256 VanDerWaalsContact O-N 3.11Å; I253-L257 HydrophobicContact CG2-CD1 3.79Å; I253-L257 HydrophobicContact CG2-CG 4.23Å; I253-L257 WeakPolarHBondContact O-CG 3.32Å; I253-L257 PolarHBondContact O-N 3.02Å; I253-L296 HydrophobicContact CD1-CD1 4.34Å; I253-L296 HydrophobicContact CD1-CD2 3.97Å; I253-L296 HydrophobicContact CD1-CG 4.45Å; I253-L300 HydrophobicContact CG2-CD1 3.94Å; I253-L300 HydrophobicContact CG2-CD2 4.06Å
254L98.6Very high97.3Very high3 Ų332.4 Ų32.42%0.01617%0.17CC..Hα-helixtrans-57-46.8177.8-72.7163.5000112.8C250 L251 T256 L257 R258 M274 V278 L300 I303 L304C250-L254 WeakPolarHBondContact O-CG 3.37Å; C250-L254 PolarHBondContact O-N 2.77Å; L251-L254 PolarHBondContact O-N 2.97Å; L254-T256 VanDerWaalsContact C-N 3.31Å; L254-T256 PolarHBondContact O-N 3.36Å; L254-L257 PolarHBondContact O-N 3.46Å; L254-R258 WeakPolarHBondContact O-CB 3.44Å; L254-R258 PolarHBondContact O-N 2.97Å; L254-M274 HydrophobicContact CB-CB 4.07Å; L254-M274 HydrophobicContact CB-CG 4.25Å; L254-M274 HydrophobicContact CB-SD 4.29Å; L254-M274 HydrophobicContact CD2-SD 4.5Å; L254-V278 HydrophobicContact CD1-CG2 3.75Å; L254-L300 HydrophobicContact CD2-CD1 3.52Å; L254-L300 HydrophobicContact CG-CD1 3.65Å; L254-I303 HydrophobicContact CD1-CB 4.24Å; L254-I303 HydrophobicContact CD1-CD1 3.84Å; L254-I303 HydrophobicContact CD1-CG2 3.6Å; L254-I303 HydrophobicContact CD2-CG2 3.93Å; L254-I303 HydrophobicContact CG-CG2 4.44Å; L254-L304 HydrophobicContact CD2-CD2 4.02Å; L254-L304 HydrophobicContact CD2-CG 4.35Å
255K98.4Very high97.3Very high46 Ų4636 Ų3620%0.219%0.186CC..Hα-helixtrans-61.4-39.8176.3-69.6-174-180-169.60111.9L251 I253 R258 D259 N271L251-K255 HydrophobicContact CD1-CD 4.42Å; L251-K255 HydrophobicContact CD1-CG 4.12Å; L251-K255 HydrophobicContact CG-CD 4.35Å; L251-K255 HydrophobicContact CG-CG 4.42Å; L251-K255 WeakPolarHBondContact O-CG 3.39Å; L251-K255 PolarHBondContact O-N 3.02Å; I253-K255 PolarHBondContact O-N 3.5Å; K255-R258 PolarHBondContact O-N 2.81Å; K255-D259 PolarHBondContact O-N 3.25Å; K255-N271 HydrophobicContact CD-CB 4.06Å; K255-N271 HydrophobicContact CG-CB 4.08Å; K255-N271 WeakPolarHBondContact CG-OD1 3.22Å
256T98.3Very high97.1Very high3 Ų335.7 Ų35.72%0.01818%0.183CC..Hα-helixtrans-68.6-43.8179.1-53.30000111.4Y15 K19 C20 R23 S252 I253 L254 R258 D259 R260Y15-T256 HydrophobicContact CE1-CG2 3.91Å; Y15-T256 WeakPolarHBondContact OH-CG2 3.3Å; K19-T256 HydrophobicContact CB-CG2 4.07Å; C20-T256 PolarHBondContact SG-OG1 2.99Å; R23-T256 VanDerWaalsContact CD-OG1 3.27Å; R23-T256 WeakPolarHBondContact CD-OG1 3.38Å; S252-T256 WeakPolarHBondContact O-CB 3.49Å; S252-T256 PolarHBondContact O-N 3.35Å; S252-T256 VanDerWaalsContact O-N 3.12Å; S252-T256 PolarHBondContact O-OG1 3.15Å; I253-T256 PolarHBondContact O-N 2.93Å; I253-T256 VanDerWaalsContact O-N 3.11Å; L254-T256 VanDerWaalsContact C-N 3.31Å; L254-T256 PolarHBondContact O-N 3.36Å; T256-R258 VanDerWaalsContact C-N 3.33Å; T256-R258 PolarHBondContact O-N 3.28Å; T256-D259 PolarHBondContact O-N 3.24Å; T256-R260 WeakPolarHBondContact O-CB 3.46Å; T256-R260 VanDerWaalsContact O-CG 3.27Å; T256-R260 WeakPolarHBondContact O-CG 3.12Å; T256-R260 PolarHBondContact O-N 3.23Å; T256-R260 VanDerWaalsContact O-N 3.12Å
257L98Very high96.9Very high2 Ų241.3 Ų41.31%0.0121%0.209CC..Hα-helixtrans-62-41173.7-71.6172.6000111.7Y15 I253 L254 R260 H261 L300 L345 I349 L359Y15-L257 HydrophobicContact CE1-CD2 4.31Å; Y15-L257 HydrophobicContact CE1-CG 4.33Å; Y15-L257 HydrophobicContact CE2-CD2 4.42Å; Y15-L257 WeakPolarHBondContact OH-CD2 3.26Å; I253-L257 HydrophobicContact CG2-CD1 3.79Å; I253-L257 HydrophobicContact CG2-CG 4.23Å; I253-L257 WeakPolarHBondContact O-CG 3.32Å; I253-L257 PolarHBondContact O-N 3.02Å; L254-L257 PolarHBondContact O-N 3.46Å; L257-R260 PolarHBondContact O-N 3.39Å; L257-H261 WeakPolarHBondContact O-CB 3.42Å; L257-H261 PolarHBondContact O-CD2 3.03Å; L257-H261 PolarHBondContact O-N 3.2Å; L257-L300 HydrophobicContact CD1-CD1 4.38Å; L257-L345 HydrophobicContact CB-CD2 4.1Å; L257-L345 HydrophobicContact CD1-CD2 4.4Å; L257-L345 HydrophobicContact CD2-CD1 4.24Å; L257-L345 HydrophobicContact CD2-CD2 4.35Å; L257-I349 HydrophobicContact CD1-CD1 3.87Å; L257-I349 HydrophobicContact CD2-CD1 4.33Å; L257-L359 HydrophobicContact CD2-CD1 4.47Å
258R97.7Very high96.8Very high17 Ų1741.2 Ų41.26%0.06421%0.209CC..Hα-helixtrans-58.5-55.3176.7-170.1-75.5-72.5-147.7-1110.6I69 L254 K255 T256 R260 H261 L262 E263 L269 N271 M274I69-R258 PolarHBondContact O-NH2 3.27Å; L254-R258 WeakPolarHBondContact O-CB 3.44Å; L254-R258 PolarHBondContact O-N 2.97Å; K255-R258 PolarHBondContact O-N 2.81Å; T256-R258 VanDerWaalsContact C-N 3.33Å; T256-R258 PolarHBondContact O-N 3.28Å; R258-R260 PolarHBondContact O-N 3.41Å; R258-H261 PolarHBondContact O-N 2.91Å; R258-L262 HydrophobicContact CG-CB 4.16Å; R258-L262 CarbonylContact O-C 3.33Å; R258-L262 WeakPolarHBondContact O-CA 3.23Å; R258-L262 PolarHBondContact O-N 3.31Å; R258-E263 PolarHBondContact O-N 2.64Å; R258-L269 HydrophobicContact CG-CB 4.41Å; R258-L269 PolarHBondContact NH1-O 2.94Å; R258-N271 PolarHBondContact NE-OD1 3.47Å; R258-N271 PolarHBondContact NH2-ND2 3.32Å; R258-N271 PolarHBondContact NH2-OD1 3.02Å; R258-M274 HydrophobicContact CB-CG 4.44Å; R258-M274 HydrophobicContact CG-CE 4.07Å
259D96Very high96.8Very high21 Ų2136 Ų3611%0.11219%0.186CC..Hα-helixtrans-63.8-27.2-176.7-63.7-9.4000112.3R23 P71 K255 T256R23-D259 IonicContact CZ-OD2 3.37Å; R23-D259 IonicContact NE-OD2 3.77Å; R23-D259 PolarHBondContact NE-OD2 3.08Å; R23-D259 IonicContact NH2-OD2 3.77Å; R23-D259 PolarHBondContact NH2-OD2 3.44Å; P71-D259 WeakPolarHBondContact CD-OD2 3.29Å; P71-D259 HydrophobicContact CG-CB 4.43Å; P71-D259 WeakPolarHBondContact CG-OD2 3.32Å; K255-D259 PolarHBondContact O-N 3.25Å; T256-D259 PolarHBondContact O-N 3.24Å
260R96.1Very high96.7Very high124 Ų12436.7 Ų36.747%0.46819%0.192SC..Hα-helixtrans-90.7-27.5-178.4-68175.366.277.44.4114.5T256 L257 R258 L359T256-R260 WeakPolarHBondContact O-CB 3.46Å; T256-R260 VanDerWaalsContact O-CG 3.27Å; T256-R260 WeakPolarHBondContact O-CG 3.12Å; T256-R260 PolarHBondContact O-N 3.23Å; T256-R260 VanDerWaalsContact O-N 3.12Å; L257-R260 PolarHBondContact O-N 3.39Å; R258-R260 PolarHBondContact O-N 3.41Å; R260-L359 PolarHBondContact NE-O 3.39Å; R260-L359 PolarHBondContact NE-OXT 3.36Å; R260-L359 PolarHBondContact NH2-O 3.22Å; R260-L359 PolarHBondContact NH2-OXT 3.15Å
261H96.4Very high96.6Very high39 Ų3937 Ų3718%0.18119%0.193CC..Hα-helixtrans-135.4-13.2-168.7-53.3-62.3000115.5L257 R258 Q341 L359L257-H261 WeakPolarHBondContact O-CB 3.42Å; L257-H261 PolarHBondContact O-CD2 3.03Å; L257-H261 PolarHBondContact O-N 3.2Å; R258-H261 PolarHBondContact O-N 2.91Å; H261-Q341 WeakPolarHBondContact O-CG 3.16Å; H261-L359 PolarHBondContact CE1-OXT 3.1Å; H261-L359 WeakPolarHBondContact NE2-CA 3.31Å; H261-L359 WeakPolarHBondContact NE2-CB 3.35Å; H261-L359 PolarHBondContact NE2-OXT 3.5Å
262L97Very high96.5Very high2 Ų239.4 Ų39.41%0.0120%0.202CC..  trans-121.914.2-176.1-52.6176.8000112.5R258 L264 L269 L307 Q341R258-L262 HydrophobicContact CG-CB 4.16Å; R258-L262 CarbonylContact O-C 3.33Å; R258-L262 WeakPolarHBondContact O-CA 3.23Å; R258-L262 PolarHBondContact O-N 3.31Å; L262-L264 PolarHBondContact O-N 2.95Å; L262-L269 HydrophobicContact CB-CD1 4.04Å; L262-L269 HydrophobicContact CD1-CD1 3.93Å; L262-L269 HydrophobicContact CG-CD1 4.46Å; L262-L307 HydrophobicContact CD1-CD2 4.35Å; L262-Q341 HydrophobicContact CD2-CB 4.14Å; L262-Q341 HydrophobicContact CD2-CG 3.74Å
263E94.1Very high96.5Very high121 Ų12139.1 Ų39.157%0.56520%0.2SC*.  trans-78.691.3162.4-170156.2-150.500108.5R258R258-E263 PolarHBondContact O-N 2.64Å
264L95.7Very high96.5Very high38 Ų3839.2 Ų39.220%0.19920%0.2CC..  trans-114.7156.4-171.2-61.2172.8000111.2L262 G266 Q267 P268 A338 Q341L262-L264 PolarHBondContact O-N 2.95Å; L264-G266 PolarHBondContact O-N 3.38Å; L264-Q267 PolarHBondContact O-N 2.68Å; L264-P268 HydrophobicContact CB-CG 4.31Å; L264-A338 HydrophobicContact CD1-CB 3.91Å; L264-Q341 HydrophobicContact CD1-CB 4.13Å; L264-Q341 HydrophobicContact CD1-CG 4.47Å; L264-Q341 HydrophobicContact CD2-CG 4.42Å
265P94.6Very high96.5Very high116 Ų11639.7 Ų39.775%0.75320%0.202SC*.THydrogen-bonded Turntrans-50.7135.5170.5-26.935.2000111.9Q267P265-Q267 VanDerWaalsContact C-N 3.3Å
266G92.9Very high96.5Very high44 Ų4437.6 Ų37.645%0.45419%0.193SC..THydrogen-bonded Turntrans81.81.4-174.700000115.1L264L264-G266 PolarHBondContact O-N 3.38Å
267Q93.3Very high96.5Very high119 Ų11937.6 Ų37.656%0.55619%0.193SC*.  trans42.457174.4-63.3179.5-20.600113.5L264 P265 L269 K330L264-Q267 PolarHBondContact O-N 2.68Å; P265-Q267 VanDerWaalsContact C-N 3.3Å; Q267-L269 PolarHBondContact O-N 2.75Å; Q267-K330 PolarHBondContact O-NZ 2.92Å
268P95.8Very high96.5Very high0 Ų037.5 Ų37.50%019%0.192CC..  trans-67.4-24.9-177.127.1-33.9000112.3L264 H273 A334 L335 A338L264-P268 HydrophobicContact CB-CG 4.31Å; P268-H273 PolarHBondContact O-CE1 3.41Å; P268-H273 VanDerWaalsContact O-CE1 3.29Å; P268-A334 HydrophobicContact CB-CB 4.13Å; P268-A334 HydrophobicContact CG-CB 4.28Å; P268-L335 HydrophobicContact CB-CD2 4.03Å; P268-A338 HydrophobicContact CB-CB 4.07Å; P268-A338 HydrophobicContact CG-CB 3.67Å
269L97.3Very high96.6Very high5 Ų536.8 Ų36.83%0.02619%0.19CC..  trans-124.9137.8-171.9-64176.4000113.3R258 L262 Q267 H273 M274 L307 L311 F327 A338R258-L269 HydrophobicContact CG-CB 4.41Å; R258-L269 PolarHBondContact NH1-O 2.94Å; L262-L269 HydrophobicContact CB-CD1 4.04Å; L262-L269 HydrophobicContact CD1-CD1 3.93Å; L262-L269 HydrophobicContact CG-CD1 4.46Å; Q267-L269 PolarHBondContact O-N 2.75Å; L269-H273 WeakPolarHBondContact CA-ND1 3.39Å; L269-M274 HydrophobicContact CB-CE 4.36Å; L269-M274 HydrophobicContact CD1-CE 4.28Å; L269-M274 HydrophobicContact CD2-CE 4.28Å; L269-L307 HydrophobicContact CD1-CD1 4.44Å; L269-L307 HydrophobicContact CD1-CD2 4.16Å; L269-L307 HydrophobicContact CD2-CD1 3.72Å; L269-L311 HydrophobicContact CD1-CD1 4.35Å; L269-L311 HydrophobicContact CD2-CD2 4.05Å; L269-F327 HydrophobicContact CD2-CE1 3.83Å; L269-F327 HydrophobicContact CD2-CZ 3.93Å; L269-A338 HydrophobicContact CD1-CB 4.11Å; L269-A338 HydrophobicContact CG-CB 4.38Å
270N95.7Very high96.7Very high48 Ų4837.8 Ų37.826%0.25719%0.192SC..  trans-128.2173.6170.265.434.7000111.1Y272 H273N270-Y272 PolarHBondContact O-N 3.32Å; N270-Y272 WeakPolarHBondContact OD1-CA 3.19Å; N270-Y272 VanDerWaalsContact OD1-CB 3.26Å; N270-Y272 WeakPolarHBondContact OD1-CB 3.38Å; N270-Y272 PolarHBondContact OD1-N 3.3Å; N270-H273 PolarHBondContact N-ND1 3.22Å; N270-H273 VanDerWaalsContact N-ND1 3.11Å; N270-H273 PolarHBondContact O-N 3.01Å; N270-H273 PolarHBondContact OD1-N 3Å; N270-H273 PolarHBondContact OD1-ND1 2.92Å
271N96.6Very high96.8Very high6 Ų632 Ų323%0.03217%0.17CC..Hα-helixtrans-64.9-22.3179.1-78-18.7000113.7R23 I69 K255 R258 M274 K275R23-N271 PolarHBondContact NH2-ND2 2.89Å; I69-N271 PolarHBondContact O-ND2 3.14Å; K255-N271 HydrophobicContact CD-CB 4.06Å; K255-N271 HydrophobicContact CG-CB 4.08Å; K255-N271 WeakPolarHBondContact CG-OD1 3.22Å; R258-N271 PolarHBondContact NE-OD1 3.47Å; R258-N271 PolarHBondContact NH2-ND2 3.32Å; R258-N271 PolarHBondContact NH2-OD1 3.02Å; N271-M274 PolarHBondContact O-N 3.47Å; N271-K275 PolarHBondContact O-N 2.81Å; N271-K275 VanDerWaalsContact O-N 3.12Å
272Y97.4Very high96.9Very high66 Ų6630.1 Ų30.126%0.25916%0.162SC..Hα-helixtrans-72.5-35.1179.3-171.9-106.9000112E238 N270 M274 K275 T276 H318 L326E238-Y272 WeakPolarHBondContact OE1-CE2 3.31Å; E238-Y272 VanDerWaalsContact OE1-CZ 3.29Å; E238-Y272 PolarHBondContact OE1-OH 3.48Å; E238-Y272 WeakPolarHBondContact OE2-CE2 3.5Å; N270-Y272 PolarHBondContact O-N 3.32Å; N270-Y272 WeakPolarHBondContact OD1-CA 3.19Å; N270-Y272 VanDerWaalsContact OD1-CB 3.26Å; N270-Y272 WeakPolarHBondContact OD1-CB 3.38Å; N270-Y272 PolarHBondContact OD1-N 3.3Å; Y272-M274 VanDerWaalsContact C-N 3.32Å; Y272-M274 PolarHBondContact O-N 2.97Å; Y272-K275 WeakPolarHBondContact O-CB 3.2Å; Y272-K275 PolarHBondContact O-N 2.94Å; Y272-T276 WeakPolarHBondContact O-CB 3.49Å; Y272-T276 PolarHBondContact O-N 2.84Å; Y272-T276 PolarHBondContact O-OG1 2.84Å; Y272-H318 AromaticContact CE1-CD2 3.96Å; Y272-H318 PolarHBondContact OH-CD2 3.13Å; Y272-H318 PolarHBondContact OH-NE2 3.46Å; Y272-L326 HydrophobicContact CD1-CD1 3.94Å; Y272-L326 HydrophobicContact CD1-CD2 4.21Å; Y272-L326 HydrophobicContact CE1-CD1 3.8Å; Y272-L326 HydrophobicContact CE1-CD2 3.86Å
273H98.1Very high96.9Very high2 Ų231.3 Ų31.31%0.00917%0.167CC..Hα-helixtrans-59.5-43.8170.5-54143.4000111.6P268 L269 N270 K275 T276 L277 L326 F327P268-H273 PolarHBondContact O-CE1 3.41Å; P268-H273 VanDerWaalsContact O-CE1 3.29Å; L269-H273 WeakPolarHBondContact CA-ND1 3.39Å; N270-H273 PolarHBondContact N-ND1 3.22Å; N270-H273 VanDerWaalsContact N-ND1 3.11Å; N270-H273 PolarHBondContact O-N 3.01Å; N270-H273 PolarHBondContact OD1-N 3Å; N270-H273 PolarHBondContact OD1-ND1 2.92Å; H273-K275 VanDerWaalsContact C-N 3.32Å; H273-K275 PolarHBondContact O-N 3.45Å; H273-T276 PolarHBondContact O-N 2.81Å; H273-L277 WeakPolarHBondContact O-CG 3.28Å; H273-L277 PolarHBondContact O-N 2.96Å; H273-L326 PolarHBondContact NE2-O 3.23Å; H273-F327 AromaticContact CE1-CD1 3.99Å; H273-F327 AromaticContact CE1-CE1 3.69Å; H273-F327 AromaticContact ND1-CE1 3.76Å; H273-F327 AromaticContact NE2-CD1 3.96Å; H273-F327 AromaticContact NE2-CE1 3.89Å
274M98.5Very high97Very high2 Ų231.4 Ų31.41%0.0117%0.166CC..Hα-helixtrans-61.6-43177.5-52.8-57.8129.300111.2L251 L254 R258 L269 N271 Y272 L277 V278 L307L251-M274 HydrophobicContact CD1-CB 3.89Å; L254-M274 HydrophobicContact CB-CB 4.07Å; L254-M274 HydrophobicContact CB-CG 4.25Å; L254-M274 HydrophobicContact CB-SD 4.29Å; L254-M274 HydrophobicContact CD2-SD 4.5Å; R258-M274 HydrophobicContact CB-CG 4.44Å; R258-M274 HydrophobicContact CG-CE 4.07Å; L269-M274 HydrophobicContact CB-CE 4.36Å; L269-M274 HydrophobicContact CD1-CE 4.28Å; L269-M274 HydrophobicContact CD2-CE 4.28Å; N271-M274 PolarHBondContact O-N 3.47Å; Y272-M274 VanDerWaalsContact C-N 3.32Å; Y272-M274 PolarHBondContact O-N 2.97Å; M274-L277 PolarHBondContact O-N 2.69Å; M274-V278 WeakPolarHBondContact O-CG2 3.49Å; M274-V278 PolarHBondContact O-N 2.97Å; M274-V278 VanDerWaalsContact O-N 3.13Å; M274-L307 HydrophobicContact CE-CD1 4.32Å; M274-L307 HydrophobicContact CE-CD2 3.7Å; M274-L307 HydrophobicContact SD-CD2 4.17Å
275K98.4Very high97.1Very high13 Ų1332 Ų326%0.05717%0.167CC..Hα-helixtrans-61.8-46.1176.8-164.8-176.7-171.9-166.20111.1E238 N239 Q242 L251 N271 Y272 H273 L277 V278 S279E238-K275 HydrophobicContact CB-CD 4.42Å; E238-K275 VanDerWaalsContact CB-NZ 3.32Å; E238-K275 WeakPolarHBondContact OE2-CD 3.11Å; E238-K275 WeakPolarHBondContact OE2-CE 3.32Å; E238-K275 IonicContact OE2-NZ 2.84Å; E238-K275 PolarHBondContact OE2-NZ 2.82Å; N239-K275 WeakPolarHBondContact OD1-CE 3.44Å; N239-K275 PolarHBondContact OD1-NZ 2.86Å; Q242-K275 PolarHBondContact NE2-O 2.93Å; L251-K275 HydrophobicContact CD1-CB 4.18Å; L251-K275 HydrophobicContact CD2-CB 4.36Å; L251-K275 HydrophobicContact CD2-CG 4.04Å; N271-K275 PolarHBondContact O-N 2.81Å; N271-K275 VanDerWaalsContact O-N 3.12Å; Y272-K275 WeakPolarHBondContact O-CB 3.2Å; Y272-K275 PolarHBondContact O-N 2.94Å; H273-K275 VanDerWaalsContact C-N 3.32Å; H273-K275 PolarHBondContact O-N 3.45Å; K275-L277 PolarHBondContact O-N 2.9Å; K275-V278 PolarHBondContact O-N 2.77Å; K275-S279 PolarHBondContact O-N 2.84Å; K275-S279 PolarHBondContact O-OG 2.88Å
276T98.6Very high97.2Very high2 Ų228 Ų281%0.01214%0.142CC..Hα-helixtrans-60-46.5178.9-62.90000111.6Y272 H273 V278 S279 Y280 P317 L326Y272-T276 WeakPolarHBondContact O-CB 3.49Å; Y272-T276 PolarHBondContact O-N 2.84Å; Y272-T276 PolarHBondContact O-OG1 2.84Å; H273-T276 PolarHBondContact O-N 2.81Å; T276-V278 PolarHBondContact O-N 3.4Å; T276-S279 WeakPolarHBondContact O-CB 3.11Å; T276-S279 PolarHBondContact O-N 3Å; T276-S279 VanDerWaalsContact O-N 3.12Å; T276-Y280 HydrophobicContact CG2-CD2 4Å; T276-Y280 HydrophobicContact CG2-CE2 3.68Å; T276-Y280 WeakPolarHBondContact O-CD2 3.46Å; T276-Y280 PolarHBondContact O-N 3.36Å; T276-P317 WeakPolarHBondContact CG2-O 3.26Å; T276-L326 HydrophobicContact CG2-CD1 3.95Å
277L98.8Very high97.3Very high3 Ų334.4 Ų34.42%0.01615%0.152CC..Hα-helixtrans-69.9-29.1-178.9-65.4176.7000113.4H273 M274 K275 S279 Y280 E281 I303 Q306 L307H273-L277 WeakPolarHBondContact O-CG 3.28Å; H273-L277 PolarHBondContact O-N 2.96Å; M274-L277 PolarHBondContact O-N 2.69Å; K275-L277 PolarHBondContact O-N 2.9Å; L277-S279 VanDerWaalsContact C-N 3.28Å; L277-S279 PolarHBondContact O-N 3.4Å; L277-Y280 PolarHBondContact O-N 3.11Å; L277-E281 WeakPolarHBondContact O-CB 3.34Å; L277-E281 PolarHBondContact O-N 2.88Å; L277-I303 HydrophobicContact CB-CG2 3.81Å; L277-I303 HydrophobicContact CD1-CG2 4.48Å; L277-Q306 HydrophobicContact CD2-CB 4.27Å; L277-L307 HydrophobicContact CD1-CB 3.58Å; L277-L307 HydrophobicContact CD1-CD1 3.75Å; L277-L307 HydrophobicContact CD1-CG 4.2Å
278V98.7Very high97.4Very high0 Ų033.6 Ų33.60%015%0.149CC..Hα-helixtrans-61.1-39.4169.7169.50000110.8L251 L254 M274 K275 T276 E281 C282 W291 I303L251-V278 HydrophobicContact CB-CG2 4.2Å; L251-V278 HydrophobicContact CD1-CG2 4.19Å; L254-V278 HydrophobicContact CD1-CG2 3.75Å; M274-V278 WeakPolarHBondContact O-CG2 3.49Å; M274-V278 PolarHBondContact O-N 2.97Å; M274-V278 VanDerWaalsContact O-N 3.13Å; K275-V278 PolarHBondContact O-N 2.77Å; T276-V278 PolarHBondContact O-N 3.4Å; V278-E281 PolarHBondContact O-N 3.3Å; V278-C282 PolarHBondContact O-N 3.23Å; V278-C282 PolarHBondContact O-SG 3.19Å; V278-W291 HydrophobicContact CG1-CH2 4.29Å; V278-I303 HydrophobicContact CB-CD1 4.41Å; V278-I303 HydrophobicContact CG2-CD1 3.72Å
279S98.5Very high97.5Very high1 Ų136.5 Ų36.51%0.00717%0.169CC..Hα-helixtrans-67-43.6178.3-570000112Q242 K275 T276 L277 E281 C282 E283 Y319Q242-S279 PolarHBondContact NE2-OG 2.8Å; K275-S279 PolarHBondContact O-N 2.84Å; K275-S279 PolarHBondContact O-OG 2.88Å; T276-S279 WeakPolarHBondContact O-CB 3.11Å; T276-S279 PolarHBondContact O-N 3Å; T276-S279 VanDerWaalsContact O-N 3.12Å; L277-S279 VanDerWaalsContact C-N 3.28Å; L277-S279 PolarHBondContact O-N 3.4Å; S279-E281 VanDerWaalsContact C-N 3.31Å; S279-E281 PolarHBondContact O-N 2.95Å; S279-C282 WeakPolarHBondContact O-CB 3.09Å; S279-C282 PolarHBondContact O-N 2.83Å; S279-C282 VanDerWaalsContact O-N 3.13Å; S279-E283 PolarHBondContact O-N 3.26Å; S279-Y319 VanDerWaalsContact CB-CD2 3.41Å
280Y98.2Very high97.5Very high42 Ų4238 Ų3817%0.16518%0.177CC..Hα-helixtrans-64.3-35173-76.1-66.4000113.2T276 L277 C282 E283 K284 P317 H318 Y319T276-Y280 HydrophobicContact CG2-CD2 4Å; T276-Y280 HydrophobicContact CG2-CE2 3.68Å; T276-Y280 WeakPolarHBondContact O-CD2 3.46Å; T276-Y280 PolarHBondContact O-N 3.36Å; L277-Y280 PolarHBondContact O-N 3.11Å; Y280-C282 PolarHBondContact O-N 3.04Å; Y280-E283 PolarHBondContact O-N 3.4Å; Y280-K284 PolarHBondContact O-N 2.9Å; Y280-P317 HydrophobicContact CE2-CG 4.21Å; Y280-P317 VanDerWaalsContact CE2-O 3.23Å; Y280-P317 WeakPolarHBondContact CE2-O 3.38Å; Y280-P317 WeakPolarHBondContact OH-CG 3.48Å; Y280-P317 PolarHBondContact OH-O 3.41Å; Y280-P317 VanDerWaalsContact OH-O 3.12Å; Y280-H318 PolarHBondContact OH-O 3.34Å; Y280-Y319 HydrophobicContact CD1-CD2 4.17Å; Y280-Y319 HydrophobicContact CD1-CE2 4.36Å; Y280-Y319 HydrophobicContact CD2-CD2 4.29Å; Y280-Y319 HydrophobicContact CE1-CD2 4.1Å; Y280-Y319 HydrophobicContact CE2-CD2 4.22Å; Y280-Y319 HydrophobicContact CG-CD2 4.27Å
281E98.4Very high97.6Very high2 Ų235.8 Ų35.81%0.00917%0.165CC..Hα-helixtrans-63.7-34.5173.9-174.972159.900111.7L277 V278 S279 E283 K284 H285 W291 R299 I303 Q306L277-E281 WeakPolarHBondContact O-CB 3.34Å; L277-E281 PolarHBondContact O-N 2.88Å; V278-E281 PolarHBondContact O-N 3.3Å; S279-E281 VanDerWaalsContact C-N 3.31Å; S279-E281 PolarHBondContact O-N 2.95Å; E281-E283 VanDerWaalsContact C-N 3.3Å; E281-E283 PolarHBondContact O-N 2.83Å; E281-K284 PolarHBondContact O-N 3.19Å; E281-H285 WeakPolarHBondContact O-CB 3.46Å; E281-H285 PolarHBondContact O-CD2 3.37Å; E281-H285 PolarHBondContact O-N 3.29Å; E281-H285 IonicContact OE1-CD2 3.56Å; E281-H285 IonicContact OE1-NE2 3.77Å; E281-H285 IonicContact OE2-CD2 2.78Å; E281-W291 HydrophobicContact CB-CH2 3.99Å; E281-W291 HydrophobicContact CB-CZ2 4.06Å; E281-W291 HydrophobicContact CG-CH2 3.66Å; E281-W291 HydrophobicContact CG-CZ2 3.72Å; E281-R299 IonicContact OE1-CZ 2.84Å; E281-R299 IonicContact OE1-NH1 3.61Å; E281-R299 PolarHBondContact OE1-NH1 3.24Å; E281-I303 HydrophobicContact CB-CD1 4.02Å; E281-I303 HydrophobicContact CB-CG1 3.59Å; E281-I303 HydrophobicContact CG-CD1 4.01Å; E281-I303 HydrophobicContact CG-CG1 3.69Å; E281-Q306 PolarHBondContact OE2-NE2 3.38Å
282C98.2Very high97.6Very high0 Ų039.3 Ų39.30%018%0.184CC..Hα-helixtrans-66.8-32.5176-64.80000112.1W194 R247 V278 S279 Y280 H285 P286 W291W194-C282 HydrophobicContact CD2-CB 3.63Å; W194-C282 VanDerWaalsContact CE2-CB 3.47Å; W194-C282 HydrophobicContact CE3-CB 3.62Å; W194-C282 HydrophobicContact CG-CB 4.47Å; W194-C282 HydrophobicContact CH2-CB 3.27Å; W194-C282 HydrophobicContact CZ2-CB 3.33Å; W194-C282 HydrophobicContact CZ3-CB 3.43Å; W194-C282 VanDerWaalsContact CZ3-CB 3.43Å; R247-C282 PolarHBondContact NE-SG 3.39Å; R247-C282 VanDerWaalsContact NE-SG 3.39Å; V278-C282 PolarHBondContact O-N 3.23Å; V278-C282 PolarHBondContact O-SG 3.19Å; S279-C282 WeakPolarHBondContact O-CB 3.09Å; S279-C282 PolarHBondContact O-N 2.83Å; S279-C282 VanDerWaalsContact O-N 3.13Å; Y280-C282 PolarHBondContact O-N 3.04Å; C282-H285 CarbonylContact O-C 3.59Å; C282-H285 PolarHBondContact O-N 3.09Å; C282-H285 VanDerWaalsContact O-O 3.06Å; C282-P286 VanDerWaalsContact O-CA 3.26Å; C282-P286 WeakPolarHBondContact O-CA 3.47Å; C282-W291 HydrophobicContact CB-CZ2 4.01Å; C282-W291 VanDerWaalsContact SG-CE2 3.54Å; C282-W291 WeakPolarHBondContact SG-CZ2 3.48Å
283E96.9Very high97.6Very high28 Ų2840.1 Ų40.113%0.13119%0.19CC..Hα-helixtrans-67.4-38174.3-67.1-171.1166.500112.4I192 W194 S279 Y280 E281 H285 Y319I192-E283 HydrophobicContact CD1-CB 4.1Å; I192-E283 HydrophobicContact CD1-CG 4.21Å; I192-E283 WeakPolarHBondContact CD1-OE2 3.31Å; I192-E283 HydrophobicContact CG2-CB 3.84Å; I192-E283 HydrophobicContact CG2-CG 3.99Å; W194-E283 HydrophobicContact CE3-CG 3.89Å; W194-E283 HydrophobicContact CZ3-CG 4.09Å; S279-E283 PolarHBondContact O-N 3.26Å; Y280-E283 PolarHBondContact O-N 3.4Å; E281-E283 VanDerWaalsContact C-N 3.3Å; E281-E283 PolarHBondContact O-N 2.83Å; E283-H285 VanDerWaalsContact C-N 3.28Å; E283-H285 PolarHBondContact O-N 2.97Å; E283-Y319 HydrophobicContact CG-CE2 4.13Å; E283-Y319 WeakPolarHBondContact OE1-CE2 3.38Å; E283-Y319 VanDerWaalsContact OE1-CZ 3.27Å; E283-Y319 PolarHBondContact OE1-OH 3.09Å
284K97.4Very high97.4Very high122 Ų12243.8 Ų43.853%0.5322%0.216SC..Hα-helixtrans-70.8-26.6175.7-68.2174178.3172.80112.8Y280 E281 Q306Y280-K284 PolarHBondContact O-N 2.9Å; E281-K284 PolarHBondContact O-N 3.19Å; K284-Q306 VanDerWaalsContact NZ-CG 3.34Å
285H97.6Very high97.4Very high50 Ų5045 Ų4523%0.23122%0.224CC..SBendtrans-131.171.5-174.9-64.9-70.3000109.9E281 C282 E283 R287 D290 W291 R299E281-H285 WeakPolarHBondContact O-CB 3.46Å; E281-H285 PolarHBondContact O-CD2 3.37Å; E281-H285 PolarHBondContact O-N 3.29Å; E281-H285 IonicContact OE1-CD2 3.56Å; E281-H285 IonicContact OE1-NE2 3.77Å; E281-H285 IonicContact OE2-CD2 2.78Å; C282-H285 CarbonylContact O-C 3.59Å; C282-H285 PolarHBondContact O-N 3.09Å; C282-H285 VanDerWaalsContact O-O 3.06Å; E283-H285 VanDerWaalsContact C-N 3.28Å; E283-H285 PolarHBondContact O-N 2.97Å; H285-R287 PolarHBondContact O-N 2.84Å; H285-D290 VanDerWaalsContact C-OD2 3.29Å; H285-D290 HydrophobicContact CB-CB 3.75Å; H285-W291 PolarHBondContact O-NE1 2.78Å; H285-R299 VanDerWaalsContact CD2-CZ 3.45Å; H285-R299 PolarHBondContact CD2-NH1 2.96Å; H285-R299 PolarHBondContact CE1-NH1 2.76Å; H285-R299 PolarHBondContact CE1-NH2 2.97Å; H285-R299 VanDerWaalsContact CE1-NH2 3.28Å; H285-R299 VanDerWaalsContact CG-NH1 3.27Å; H285-R299 PolarHBondContact ND1-NH2 3.4Å; H285-R299 PolarHBondContact NE2-NH1 3.42Å
286P96.2Very high97.4Very high34 Ų3444.3 Ų44.322%0.22122%0.221CC..  trans-78.6-15.9-164.330.4-36.9000114.3P193 W194 C282P193-P286 HydrophobicContact CG-CB 3.74Å; P193-P286 HydrophobicContact CG-CG 3.69Å; W194-P286 HydrophobicContact CB-CB 3.39Å; W194-P286 HydrophobicContact CG-CB 4.43Å; C282-P286 VanDerWaalsContact O-CA 3.26Å; C282-P286 WeakPolarHBondContact O-CA 3.47Å
287R95.6Very high97.3Very high177 Ų17744.5 Ų44.567%0.66822%0.223SC*.SBendtrans-82.3143.4-175.3-55.7174.1178.1175.9-0.5109.2H285 S289 D290H285-R287 PolarHBondContact O-N 2.84Å; R287-S289 PolarHBondContact O-N 2.58Å; R287-D290 WeakPolarHBondContact CB-OD2 3.44Å; R287-D290 PolarHBondContact N-OD2 3.02Å; R287-D290 VanDerWaalsContact N-OD2 3.08Å; R287-D290 WeakPolarHBondContact O-CB 3.35Å; R287-D290 PolarHBondContact O-N 3.27Å
288E95.4Very high97.2Very high103 Ų10347.1 Ų47.148%0.48124%0.237SC..G310 helixtrans-59.1-34.6176-69.5-55.1121.800112.1R247 D290 W291R247-E288 IonicContact CZ-OE1 2.84Å; R247-E288 IonicContact CZ-OE2 2.71Å; R247-E288 IonicContact NH1-OE1 3.27Å; R247-E288 PolarHBondContact NH1-OE1 2.75Å; R247-E288 IonicContact NH1-OE2 3.72Å; R247-E288 PolarHBondContact NH1-OE2 3.44Å; R247-E288 IonicContact NH2-OE1 2.64Å; R247-E288 PolarHBondContact NH2-OE1 3.16Å; R247-E288 IonicContact NH2-OE2 2.97Å; E288-D290 PolarHBondContact O-N 3.02Å; E288-W291 CarbonylContact O-C 3.56Å; E288-W291 PolarHBondContact O-N 3.44Å
289S96.7Very high97.2Very high61 Ų6148.3 Ų48.343%0.42724%0.242SC..G310 helixtrans-61.9-25.5174.459.40000113.8R287 W291 D292R287-S289 PolarHBondContact O-N 2.58Å; S289-W291 PolarHBondContact O-N 2.94Å; S289-D292 WeakPolarHBondContact CA-OD2 3.47Å; S289-D292 PolarHBondContact O-N 3.42Å
290D97.3Very high97.1Very high37 Ų3748.3 Ų48.320%0.19824%0.242CC..G310 helixtrans-71.6-11.5176.9-56.1-35.5000112.3H285 R287 E288 C295 R299H285-D290 VanDerWaalsContact C-OD2 3.29Å; H285-D290 HydrophobicContact CB-CB 3.75Å; R287-D290 WeakPolarHBondContact CB-OD2 3.44Å; R287-D290 PolarHBondContact N-OD2 3.02Å; R287-D290 VanDerWaalsContact N-OD2 3.08Å; R287-D290 WeakPolarHBondContact O-CB 3.35Å; R287-D290 PolarHBondContact O-N 3.27Å; E288-D290 PolarHBondContact O-N 3.02Å; D290-C295 WeakPolarHBondContact O-CB 3.47Å; D290-R299 WeakPolarHBondContact O-CD 3.32Å; D290-R299 PolarHBondContact O-NE 3.01Å
291W97.8Very high97.1Very high0 Ų048.1 Ų48.10%024%0.243CC..G310 helixtrans-115.616.3179-66.490.2000112.5G245 C246 R247 C250 V278 E281 C282 H285 E288 S289 R299 I303G245-W291 CarbonylContact C-O 3.46Å; G245-W291 VanDerWaalsContact CA-O 3.25Å; G245-W291 WeakPolarHBondContact CA-O 3.35Å; C246-W291 PolarHBondContact N-O 3.24Å; C246-W291 PolarHBondContact SG-O 3.45Å; C246-W291 VanDerWaalsContact SG-O 3.34Å; R247-W291 HydrophobicContact CB-CE3 4.15Å; R247-W291 HydrophobicContact CB-CZ3 4.36Å; R247-W291 HydrophobicContact CG-CB 4.39Å; R247-W291 HydrophobicContact CG-CD2 3.48Å; R247-W291 VanDerWaalsContact CG-CD2 3.48Å; R247-W291 HydrophobicContact CG-CE3 3.27Å; R247-W291 HydrophobicContact CG-CG 3.97Å; R247-W291 HydrophobicContact CG-CH2 4.37Å; R247-W291 HydrophobicContact CG-CZ3 3.74Å; R247-W291 VanDerWaalsContact NH2-CD1 3.29Å; C250-W291 HydrophobicContact CB-CZ3 4.49Å; V278-W291 HydrophobicContact CG1-CH2 4.29Å; E281-W291 HydrophobicContact CB-CH2 3.99Å; E281-W291 HydrophobicContact CB-CZ2 4.06Å; E281-W291 HydrophobicContact CG-CH2 3.66Å; E281-W291 HydrophobicContact CG-CZ2 3.72Å; C282-W291 HydrophobicContact CB-CZ2 4.01Å; C282-W291 VanDerWaalsContact SG-CE2 3.54Å; C282-W291 WeakPolarHBondContact SG-CZ2 3.48Å; H285-W291 PolarHBondContact O-NE1 2.78Å; E288-W291 CarbonylContact O-C 3.56Å; E288-W291 PolarHBondContact O-N 3.44Å; S289-W291 PolarHBondContact O-N 2.94Å; W291-R299 HydrophobicContact CD2-CG 4.21Å; W291-R299 HydrophobicContact CE3-CB 4.42Å; W291-R299 HydrophobicContact CE3-CG 3.8Å; W291-R299 HydrophobicContact CH2-CB 4.24Å; W291-R299 HydrophobicContact CH2-CG 4.1Å; W291-R299 HydrophobicContact CZ2-CG 4.42Å; W291-R299 HydrophobicContact CZ3-CB 3.94Å; W291-R299 HydrophobicContact CZ3-CG 3.77Å; W291-I303 HydrophobicContact CH2-CD1 4.49Å
292D97.5Very high97.1Very high81 Ų8148.8 Ų48.843%0.43325%0.251SS..SBendtrans-63156.9167.9-72-23.9000110.6S289 S294 C295S289-D292 WeakPolarHBondContact CA-OD2 3.47Å; S289-D292 PolarHBondContact O-N 3.42Å; D292-S294 PolarHBondContact O-N 2.97Å; D292-S294 VanDerWaalsContact O-N 3.11Å; D292-C295 WeakPolarHBondContact O-CB 3.34Å; D292-C295 PolarHBondContact O-N 2.94Å
293E96.4Very high97.1Very high83 Ų8348.8 Ų48.839%0.38825%0.251SS..G310 helixtrans-57.1-29.6-179.3-73.9-70162.400113K249 C295 L296K249-E293 WeakPolarHBondContact CD-OE2 3.38Å; K249-E293 IonicContact NZ-OE1 2.65Å; K249-E293 IonicContact NZ-OE2 3.75Å; K249-E293 PolarHBondContact NZ-OE2 3.3Å; E293-C295 VanDerWaalsContact C-N 3.25Å; E293-C295 PolarHBondContact O-N 2.83Å; E293-L296 WeakPolarHBondContact O-CB 3.45Å; E293-L296 PolarHBondContact O-N 3.04Å
294S95.6Very high97.2Very high79 Ų7947.7 Ų47.755%0.55225%0.246SC*.G310 helixtrans-66.3-24.617448.20000113.8V9 D292V9-S294 WeakPolarHBondContact CG2-O 3.48Å; D292-S294 PolarHBondContact O-N 2.97Å; D292-S294 VanDerWaalsContact O-N 3.11Å
295C97.2Very high97.3Very high26 Ų2646 Ų4618%0.17624%0.243CC..G310 helixtrans-91.6-5.3-178.4-63.60000113D290 D292 E293 G297 D298 R299D290-C295 WeakPolarHBondContact O-CB 3.47Å; D292-C295 WeakPolarHBondContact O-CB 3.34Å; D292-C295 PolarHBondContact O-N 2.94Å; E293-C295 VanDerWaalsContact C-N 3.25Å; E293-C295 PolarHBondContact O-N 2.83Å; C295-G297 PolarHBondContact O-N 2.82Å; C295-G297 VanDerWaalsContact O-N 3.14Å; C295-D298 PolarHBondContact O-N 3.34Å; C295-R299 WeakPolarHBondContact O-CG 3.18Å; C295-R299 PolarHBondContact O-N 3.33Å
296L97.8Very high97.3Very high0 Ų044.6 Ų44.60%024%0.236CC..Hα-helixtrans-52.2-40.5-175.7177.761.3000113.2L12 C246 K249 C250 I253 E293 L300L12-L296 HydrophobicContact CB-CD2 4.14Å; L12-L296 HydrophobicContact CD1-CG 4.23Å; C246-L296 HydrophobicContact CB-CD1 4.18Å; K249-L296 HydrophobicContact CD-CD2 4.03Å; K249-L296 HydrophobicContact CG-CD2 4.31Å; C250-L296 HydrophobicContact CB-CD1 3.65Å; I253-L296 HydrophobicContact CD1-CD1 4.34Å; I253-L296 HydrophobicContact CD1-CD2 3.97Å; I253-L296 HydrophobicContact CD1-CG 4.45Å; E293-L296 WeakPolarHBondContact O-CB 3.45Å; E293-L296 PolarHBondContact O-N 3.04Å; L296-L300 WeakPolarHBondContact O-CB 3.33Å; L296-L300 PolarHBondContact O-N 3.23Å
297G96.8Very high97.4Very high5 Ų543 Ų435%0.05223%0.226CC..Hα-helixtrans-65.4-42.9178.200000113.2C295 L300 N301C295-G297 PolarHBondContact O-N 2.82Å; C295-G297 VanDerWaalsContact O-N 3.14Å; G297-L300 PolarHBondContact O-N 3.05Å; G297-N301 WeakPolarHBondContact O-CB 3.29Å; G297-N301 PolarHBondContact O-N 3.28Å
298D96.9Very high97.6Very high59 Ų5935 Ų3532%0.31620%0.196SC..Hα-helixtrans-67.3-42.8178.6-62.4-29.6000110.7Q5 C295 N301 G302Q5-D298 PolarHBondContact NE2-OD1 3.1Å; Q5-D298 PolarHBondContact NE2-OD2 3.42Å; C295-D298 PolarHBondContact O-N 3.34Å; D298-N301 PolarHBondContact O-N 3.19Å; D298-G302 PolarHBondContact O-N 2.84Å
299R98Very high97.7Very high24 Ų2433 Ų339%0.09119%0.194CC..Hα-helixtrans-61.7-46.5175.7-61.9-53.1107.5-128.17.6112.1E281 H285 D290 W291 C295 N301 G302 I303E281-R299 IonicContact OE1-CZ 2.84Å; E281-R299 IonicContact OE1-NH1 3.61Å; E281-R299 PolarHBondContact OE1-NH1 3.24Å; H285-R299 VanDerWaalsContact CD2-CZ 3.45Å; H285-R299 PolarHBondContact CD2-NH1 2.96Å; H285-R299 PolarHBondContact CE1-NH1 2.76Å; H285-R299 PolarHBondContact CE1-NH2 2.97Å; H285-R299 VanDerWaalsContact CE1-NH2 3.28Å; H285-R299 VanDerWaalsContact CG-NH1 3.27Å; H285-R299 PolarHBondContact ND1-NH2 3.4Å; H285-R299 PolarHBondContact NE2-NH1 3.42Å; D290-R299 WeakPolarHBondContact O-CD 3.32Å; D290-R299 PolarHBondContact O-NE 3.01Å; W291-R299 HydrophobicContact CD2-CG 4.21Å; W291-R299 HydrophobicContact CE3-CB 4.42Å; W291-R299 HydrophobicContact CE3-CG 3.8Å; W291-R299 HydrophobicContact CH2-CB 4.24Å; W291-R299 HydrophobicContact CH2-CG 4.1Å; W291-R299 HydrophobicContact CZ2-CG 4.42Å; W291-R299 HydrophobicContact CZ3-CB 3.94Å; W291-R299 HydrophobicContact CZ3-CG 3.77Å; C295-R299 WeakPolarHBondContact O-CG 3.18Å; C295-R299 PolarHBondContact O-N 3.33Å; R299-N301 VanDerWaalsContact C-N 3.29Å; R299-N301 PolarHBondContact O-N 3.36Å; R299-G302 PolarHBondContact O-N 3.03Å; R299-I303 WeakPolarHBondContact O-CD1 3.35Å; R299-I303 VanDerWaalsContact O-CG1 3.28Å; R299-I303 WeakPolarHBondContact O-CG1 3.4Å; R299-I303 PolarHBondContact O-N 3Å
300L98.2Very high97.8Very high2 Ų231.1 Ų31.11%0.0118%0.18CC..Hα-helixtrans-58.6-45.6177.8-177.871.1000110.8L12 I253 L254 L257 L296 G297 I303 L304 I349L12-L300 HydrophobicContact CD1-CD2 4.24Å; L12-L300 HydrophobicContact CD2-CD2 3.47Å; L12-L300 VanDerWaalsContact CD2-CD2 3.47Å; I253-L300 HydrophobicContact CG2-CD1 3.94Å; I253-L300 HydrophobicContact CG2-CD2 4.06Å; L254-L300 HydrophobicContact CD2-CD1 3.52Å; L254-L300 HydrophobicContact CG-CD1 3.65Å; L257-L300 HydrophobicContact CD1-CD1 4.38Å; L296-L300 WeakPolarHBondContact O-CB 3.33Å; L296-L300 PolarHBondContact O-N 3.23Å; G297-L300 PolarHBondContact O-N 3.05Å; L300-I303 PolarHBondContact O-N 3.11Å; L300-L304 HydrophobicContact CG-CD1 4.26Å; L300-L304 WeakPolarHBondContact O-CG 3.25Å; L300-L304 PolarHBondContact O-N 3.05Å; L300-I349 HydrophobicContact CD2-CG2 4.43Å
301N97.4Very high97.9Very high37 Ų3729.4 Ų29.420%0.19817%0.171CC..Hα-helixtrans-63.8-47.3178.1-178.143.8000112.3G297 D298 R299 I303 L304 L305 L350G297-N301 WeakPolarHBondContact O-CB 3.29Å; G297-N301 PolarHBondContact O-N 3.28Å; D298-N301 PolarHBondContact O-N 3.19Å; R299-N301 VanDerWaalsContact C-N 3.29Å; R299-N301 PolarHBondContact O-N 3.36Å; N301-I303 VanDerWaalsContact C-N 3.25Å; N301-I303 PolarHBondContact O-N 3.24Å; N301-L304 PolarHBondContact O-N 3.27Å; N301-L304 VanDerWaalsContact O-N 3.15Å; N301-L305 WeakPolarHBondContact O-CG 3.34Å; N301-L305 PolarHBondContact O-N 2.95Å; N301-L350 HydrophobicContact CB-CD2 4.02Å; N301-L350 VanDerWaalsContact OD1-CD1 3.29Å; N301-L350 WeakPolarHBondContact OD1-CD1 3.37Å
302G98.4Very high97.9Very high17 Ų1735.8 Ų35.818%0.17520%0.201CC..Hα-helixtrans-55.9-41.1177.100000112.3D298 R299 Q306D298-G302 PolarHBondContact O-N 2.84Å; R299-G302 PolarHBondContact O-N 3.03Å; G302-Q306 VanDerWaalsContact O-CG 3.27Å; G302-Q306 WeakPolarHBondContact O-CG 3.43Å; G302-Q306 PolarHBondContact O-N 2.75Å; G302-Q306 PolarHBondContact O-NE2 2.89Å
303I98.8Very high97.9Very high0 Ų036.2 Ų36.20%021%0.209CC..Hα-helixtrans-68.6-42176.8-66.5160000112.1L254 L277 V278 E281 W291 R299 L300 N301 L305 Q306 L307L254-I303 HydrophobicContact CD1-CB 4.24Å; L254-I303 HydrophobicContact CD1-CD1 3.84Å; L254-I303 HydrophobicContact CD1-CG2 3.6Å; L254-I303 HydrophobicContact CD2-CG2 3.93Å; L254-I303 HydrophobicContact CG-CG2 4.44Å; L277-I303 HydrophobicContact CB-CG2 3.81Å; L277-I303 HydrophobicContact CD1-CG2 4.48Å; V278-I303 HydrophobicContact CB-CD1 4.41Å; V278-I303 HydrophobicContact CG2-CD1 3.72Å; E281-I303 HydrophobicContact CB-CD1 4.02Å; E281-I303 HydrophobicContact CB-CG1 3.59Å; E281-I303 HydrophobicContact CG-CD1 4.01Å; E281-I303 HydrophobicContact CG-CG1 3.69Å; W291-I303 HydrophobicContact CH2-CD1 4.49Å; R299-I303 WeakPolarHBondContact O-CD1 3.35Å; R299-I303 VanDerWaalsContact O-CG1 3.28Å; R299-I303 WeakPolarHBondContact O-CG1 3.4Å; R299-I303 PolarHBondContact O-N 3Å; L300-I303 PolarHBondContact O-N 3.11Å; N301-I303 VanDerWaalsContact C-N 3.25Å; N301-I303 PolarHBondContact O-N 3.24Å; I303-L305 VanDerWaalsContact C-N 3.35Å; I303-L305 PolarHBondContact O-N 2.74Å; I303-Q306 WeakPolarHBondContact O-CB 3.4Å; I303-Q306 PolarHBondContact O-N 3.11Å; I303-L307 WeakPolarHBondContact O-CB 3.16Å; I303-L307 PolarHBondContact O-N 3.24Å
304L98.6Very high98Very high4 Ų437.8 Ų37.82%0.02121%0.211CC..Hα-helixtrans-64.6-39.1176.9-70173.2000111.9L254 L300 N301 L307 I308 T342 A346 I349L254-L304 HydrophobicContact CD2-CD2 4.02Å; L254-L304 HydrophobicContact CD2-CG 4.35Å; L300-L304 HydrophobicContact CG-CD1 4.26Å; L300-L304 WeakPolarHBondContact O-CG 3.25Å; L300-L304 PolarHBondContact O-N 3.05Å; N301-L304 PolarHBondContact O-N 3.27Å; N301-L304 VanDerWaalsContact O-N 3.15Å; L304-L307 WeakPolarHBondContact O-CB 3.23Å; L304-L307 PolarHBondContact O-N 2.86Å; L304-I308 WeakPolarHBondContact O-CD1 3.42Å; L304-I308 VanDerWaalsContact O-CG1 3.25Å; L304-I308 WeakPolarHBondContact O-CG1 3.42Å; L304-I308 PolarHBondContact O-N 2.85Å; L304-T342 HydrophobicContact CD2-CG2 4.05Å; L304-A346 HydrophobicContact CB-CB 4.01Å; L304-A346 HydrophobicContact CD1-CB 4.03Å; L304-I349 HydrophobicContact CD1-CD1 4.26Å
305L98.6Very high98.1Very high87 Ų8740.2 Ų40.246%0.45521%0.208SC..Hα-helixtrans-65.9-39.5174.8-68175.5000112.1N301 I303 I308 S309N301-L305 WeakPolarHBondContact O-CG 3.34Å; N301-L305 PolarHBondContact O-N 2.95Å; I303-L305 VanDerWaalsContact C-N 3.35Å; I303-L305 PolarHBondContact O-N 2.74Å; L305-I308 HydrophobicContact CD2-CD1 4.34Å; L305-I308 PolarHBondContact O-N 3.01Å; L305-S309 PolarHBondContact O-N 3.47Å
306Q98.6Very high98.1Very high20 Ų2039 Ų399%0.09320%0.2CC..Hα-helixtrans-61.8-44.5171.8-75.9171.298.800112L277 E281 K284 G302 I303 I308 S309 C310L277-Q306 HydrophobicContact CD2-CB 4.27Å; E281-Q306 PolarHBondContact OE2-NE2 3.38Å; K284-Q306 VanDerWaalsContact NZ-CG 3.34Å; G302-Q306 VanDerWaalsContact O-CG 3.27Å; G302-Q306 WeakPolarHBondContact O-CG 3.43Å; G302-Q306 PolarHBondContact O-N 2.75Å; G302-Q306 PolarHBondContact O-NE2 2.89Å; I303-Q306 WeakPolarHBondContact O-CB 3.4Å; I303-Q306 PolarHBondContact O-N 3.11Å; Q306-I308 VanDerWaalsContact C-N 3.3Å; Q306-I308 PolarHBondContact O-N 3.49Å; Q306-S309 WeakPolarHBondContact O-CB 3.47Å; Q306-S309 PolarHBondContact O-N 3.42Å; Q306-S309 VanDerWaalsContact O-N 3.17Å; Q306-C310 PolarHBondContact O-N 2.88Å; Q306-C310 PolarHBondContact O-SG 2.95Å
307L98.8Very high98.1Very high1 Ų140.5 Ų40.51%0.00521%0.21CC..Hα-helixtrans-58.2-45176.9179.357.4000111.2L262 L269 M274 L277 I303 L304 S309 C310 L311 F327 T342L262-L307 HydrophobicContact CD1-CD2 4.35Å; L269-L307 HydrophobicContact CD1-CD1 4.44Å; L269-L307 HydrophobicContact CD1-CD2 4.16Å; L269-L307 HydrophobicContact CD2-CD1 3.72Å; M274-L307 HydrophobicContact CE-CD1 4.32Å; M274-L307 HydrophobicContact CE-CD2 3.7Å; M274-L307 HydrophobicContact SD-CD2 4.17Å; L277-L307 HydrophobicContact CD1-CB 3.58Å; L277-L307 HydrophobicContact CD1-CD1 3.75Å; L277-L307 HydrophobicContact CD1-CG 4.2Å; I303-L307 WeakPolarHBondContact O-CB 3.16Å; I303-L307 PolarHBondContact O-N 3.24Å; L304-L307 WeakPolarHBondContact O-CB 3.23Å; L304-L307 PolarHBondContact O-N 2.86Å; L307-S309 PolarHBondContact O-N 3.46Å; L307-C310 PolarHBondContact O-N 3.22Å; L307-L311 HydrophobicContact CD1-CD1 3.9Å; L307-L311 HydrophobicContact CD1-CG 4.12Å; L307-L311 HydrophobicContact CG-CD1 3.8Å; L307-L311 HydrophobicContact CG-CG 4.47Å; L307-L311 WeakPolarHBondContact O-CB 3.15Å; L307-L311 WeakPolarHBondContact O-CD1 3.38Å; L307-L311 WeakPolarHBondContact O-CG 3.42Å; L307-L311 PolarHBondContact O-N 2.92Å; L307-F327 HydrophobicContact CD1-CZ 4.37Å; L307-T342 HydrophobicContact CB-CG2 4.33Å; L307-T342 HydrophobicContact CD2-CG2 3.72Å; L307-T342 HydrophobicContact CG-CG2 4.04Å
308I98.7Very high98.1Very high9 Ų940.6 Ų40.65%0.04621%0.209CC..Hα-helixtrans-59.3-46.7175.9-67.7156.9000110.6L304 L305 Q306 L311 Q312 T342 W343 A346L304-I308 WeakPolarHBondContact O-CD1 3.42Å; L304-I308 VanDerWaalsContact O-CG1 3.25Å; L304-I308 WeakPolarHBondContact O-CG1 3.42Å; L304-I308 PolarHBondContact O-N 2.85Å; L305-I308 HydrophobicContact CD2-CD1 4.34Å; L305-I308 PolarHBondContact O-N 3.01Å; Q306-I308 VanDerWaalsContact C-N 3.3Å; Q306-I308 PolarHBondContact O-N 3.49Å; I308-L311 PolarHBondContact O-N 3.12Å; I308-Q312 HydrophobicContact CG2-CG 4.42Å; I308-Q312 WeakPolarHBondContact O-CB 3.14Å; I308-Q312 VanDerWaalsContact O-CG 3.31Å; I308-Q312 WeakPolarHBondContact O-CG 3.39Å; I308-Q312 PolarHBondContact O-N 2.88Å; I308-T342 HydrophobicContact CD1-CG2 4.11Å; I308-T342 HydrophobicContact CG1-CG2 3.64Å; I308-W343 HydrophobicContact CD1-CB 4.01Å; I308-W343 HydrophobicContact CD1-CG 4.39Å; I308-W343 HydrophobicContact CG1-CB 4.44Å; I308-A346 HydrophobicContact CD1-CB 4.3Å
309S98.5Very high98.1Very high62 Ų6238.1 Ų38.143%0.43420%0.195SC..Hα-helixtrans-61-48.4177.5177.90000112L305 Q306 L307 L311 Q312 C313L305-S309 PolarHBondContact O-N 3.47Å; Q306-S309 WeakPolarHBondContact O-CB 3.47Å; Q306-S309 PolarHBondContact O-N 3.42Å; Q306-S309 VanDerWaalsContact O-N 3.17Å; L307-S309 PolarHBondContact O-N 3.46Å; S309-L311 VanDerWaalsContact C-N 3.3Å; S309-L311 PolarHBondContact O-N 3.41Å; S309-Q312 PolarHBondContact O-N 3.31Å; S309-C313 WeakPolarHBondContact O-CB 3.47Å; S309-C313 PolarHBondContact O-N 2.88Å; S309-C313 PolarHBondContact O-SG 3.24Å; S309-C313 VanDerWaalsContact O-SG 3.38Å
310C98.6Very high98.1Very high20 Ų2037 Ų3714%0.13519%0.191CC..Hα-helixtrans-57.8-42.7176-74.10000112Q306 L307 C313 R314 R315 C316 F327Q306-C310 PolarHBondContact O-N 2.88Å; Q306-C310 PolarHBondContact O-SG 2.95Å; L307-C310 PolarHBondContact O-N 3.22Å; C310-C313 CarbonylContact O-C 3.54Å; C310-R314 CarbonylContact O-C 3.57Å; C310-R314 WeakPolarHBondContact O-CA 3.32Å; C310-R314 PolarHBondContact O-N 3.32Å; C310-R315 VanDerWaalsContact CA-O 3.3Å; C310-R315 WeakPolarHBondContact CA-O 3.3Å; C310-R315 VanDerWaalsContact CB-O 3.25Å; C310-R315 WeakPolarHBondContact CB-O 3.41Å; C310-R315 PolarHBondContact O-N 2.88Å; C310-R315 PolarHBondContact SG-O 2.78Å; C310-C316 HydrophobicContact CB-CB 4.25Å; C310-F327 HydrophobicContact CB-CE2 3.82Å; C310-F327 HydrophobicContact CB-CZ 4.46Å
311L98.6Very high98Very high1 Ų137.2 Ų37.21%0.00519%0.193CC..Hα-helixtrans-67.2-41.5180-73.4165.2000111.9L269 L307 I308 S309 R314 F327 L335 A338 A339L269-L311 HydrophobicContact CD1-CD1 4.35Å; L269-L311 HydrophobicContact CD2-CD2 4.05Å; L307-L311 HydrophobicContact CD1-CD1 3.9Å; L307-L311 HydrophobicContact CD1-CG 4.12Å; L307-L311 HydrophobicContact CG-CD1 3.8Å; L307-L311 HydrophobicContact CG-CG 4.47Å; L307-L311 WeakPolarHBondContact O-CB 3.15Å; L307-L311 WeakPolarHBondContact O-CD1 3.38Å; L307-L311 WeakPolarHBondContact O-CG 3.42Å; L307-L311 PolarHBondContact O-N 2.92Å; I308-L311 PolarHBondContact O-N 3.12Å; S309-L311 VanDerWaalsContact C-N 3.3Å; S309-L311 PolarHBondContact O-N 3.41Å; L311-R314 PolarHBondContact O-N 3.35Å; L311-F327 HydrophobicContact CD2-CE1 4.33Å; L311-F327 HydrophobicContact CD2-CE2 3.74Å; L311-F327 HydrophobicContact CD2-CZ 3.6Å; L311-F327 HydrophobicContact CG-CE2 4.02Å; L311-F327 HydrophobicContact CG-CZ 4.02Å; L311-L335 HydrophobicContact CD2-CB 4.32Å; L311-L335 HydrophobicContact CD2-CD2 3.79Å; L311-A338 HydrophobicContact CD1-CB 3.9Å; L311-A338 HydrophobicContact CD2-CB 3.85Å; L311-A339 HydrophobicContact CB-CB 3.78Å; L311-A339 HydrophobicContact CD1-CB 4.42Å
312Q97.9Very high97.8Very high134 Ų13437.3 Ų37.363%0.62620%0.195SC*.Hα-helixtrans-67.2-42.1176.7-73.3176-32.100112I308 S309 R314 A339I308-Q312 HydrophobicContact CG2-CG 4.42Å; I308-Q312 WeakPolarHBondContact O-CB 3.14Å; I308-Q312 VanDerWaalsContact O-CG 3.31Å; I308-Q312 WeakPolarHBondContact O-CG 3.39Å; I308-Q312 PolarHBondContact O-N 2.88Å; S309-Q312 PolarHBondContact O-N 3.31Å; Q312-R314 PolarHBondContact O-N 3.33Å; Q312-A339 HydrophobicContact CG-CB 4.11Å
313C97.8Very high97.5Very high91 Ų9143.3 Ų43.362%0.61522%0.223SC*.THydrogen-bonded Turntrans-76.1-6.2174-64.50000113.1S309 C310 R315S309-C313 WeakPolarHBondContact O-CB 3.47Å; S309-C313 PolarHBondContact O-N 2.88Å; S309-C313 PolarHBondContact O-SG 3.24Å; S309-C313 VanDerWaalsContact O-SG 3.38Å; C310-C313 CarbonylContact O-C 3.54Å; C313-R315 PolarHBondContact O-N 3.18Å
314R97.4Very high97.2Very high115 Ų11544.7 Ų44.743%0.43423%0.23SC..THydrogen-bonded Turntrans53.333.4-177.4-53.6175.2-172.5161.64113.3C310 L311 Q312 H332 L335C310-R314 CarbonylContact O-C 3.57Å; C310-R314 WeakPolarHBondContact O-CA 3.32Å; C310-R314 PolarHBondContact O-N 3.32Å; L311-R314 PolarHBondContact O-N 3.35Å; Q312-R314 PolarHBondContact O-N 3.33Å; R314-H332 PolarHBondContact NH1-ND1 3Å; R314-L335 HydrophobicContact CB-CD1 3.85Å; R314-L335 HydrophobicContact CG-CD1 3.99Å
315R97.6Very high97.1Very high130 Ų13046.1 Ų46.149%0.49124%0.238SC..  trans-144.6126.9-179.2-173.2176.5178.2-159.3-3111C310 C313 P322 D325C310-R315 VanDerWaalsContact CA-O 3.3Å; C310-R315 WeakPolarHBondContact CA-O 3.3Å; C310-R315 VanDerWaalsContact CB-O 3.25Å; C310-R315 WeakPolarHBondContact CB-O 3.41Å; C310-R315 PolarHBondContact O-N 2.88Å; C310-R315 PolarHBondContact SG-O 2.78Å; C313-R315 PolarHBondContact O-N 3.18Å; R315-P322 PolarHBondContact NH2-O 3.42Å; R315-D325 WeakPolarHBondContact CA-OD1 3.31Å; R315-D325 HydrophobicContact CG-CB 4.34Å
316C97.9Very high96.9Very high0 Ų043.4 Ų43.40%022%0.224CC..  trans-12996.8173.1-174.60000108.6C310 D325 L326 F327C310-C316 HydrophobicContact CB-CB 4.25Å; C316-D325 PolarHBondContact N-OD1 3.02Å; C316-L326 HydrophobicContact CB-CB 4.21Å; C316-L326 WeakPolarHBondContact O-CB 3.36Å; C316-L326 WeakPolarHBondContact O-CG 3.44Å; C316-L326 PolarHBondContact O-N 3.07Å; C316-F327 HydrophobicContact CB-CD1 4.06Å; C316-F327 HydrophobicContact CB-CD2 3.68Å; C316-F327 HydrophobicContact CB-CE1 3.97Å; C316-F327 HydrophobicContact CB-CE2 3.6Å; C316-F327 HydrophobicContact CB-CG 3.92Å; C316-F327 HydrophobicContact CB-CZ 3.74Å
317P97Very high96.8Very high32 Ų3242.7 Ų42.721%0.20822%0.22CC..EExtended strand (participates in β ladder)trans-68.2136-17626.7-32.8000111.5T276 Y280 L324T276-P317 WeakPolarHBondContact CG2-O 3.26Å; Y280-P317 HydrophobicContact CE2-CG 4.21Å; Y280-P317 VanDerWaalsContact CE2-O 3.23Å; Y280-P317 WeakPolarHBondContact CE2-O 3.38Å; Y280-P317 WeakPolarHBondContact OH-CG 3.48Å; Y280-P317 PolarHBondContact OH-O 3.41Å; Y280-P317 VanDerWaalsContact OH-O 3.12Å; P317-L324 WeakPolarHBondContact CA-O 3.41Å
318H97.3Very high96.5Very high8 Ų846.9 Ų46.94%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-61.5138.5171.3179.2-69.7000110.7F234 Y272 Y280 F320 L321 P322 L324 L326F234-H318 AromaticContact CD2-CE1 3.62Å; F234-H318 AromaticContact CD2-NE2 3.9Å; F234-H318 AromaticContact CE2-CE1 3.86Å; Y272-H318 AromaticContact CE1-CD2 3.96Å; Y272-H318 PolarHBondContact OH-CD2 3.13Å; Y272-H318 PolarHBondContact OH-NE2 3.46Å; Y280-H318 PolarHBondContact OH-O 3.34Å; H318-F320 PolarHBondContact ND1-N 3.36Å; H318-F320 VanDerWaalsContact ND1-N 3.15Å; H318-F320 PolarHBondContact O-N 3.32Å; H318-L321 HydrophobicContact CB-CB 4.1Å; H318-L321 WeakPolarHBondContact CB-O 3.48Å; H318-L321 PolarHBondContact ND1-N 3.49Å; H318-L321 VanDerWaalsContact ND1-N 3.18Å; H318-L321 CarbonylContact O-C 3.5Å; H318-L321 VanDerWaalsContact O-C 3.24Å; H318-L321 PolarHBondContact O-N 3.45Å; H318-P322 WeakPolarHBondContact O-CA 3.31Å; H318-L324 HydrophobicContact CB-CB 4.03Å; H318-L324 HydrophobicContact CB-CD2 4.07Å; H318-L324 HydrophobicContact CB-CG 4.27Å; H318-L324 PolarHBondContact N-O 3.25Å; H318-L326 HydrophobicContact CB-CD2 4Å; H318-L326 HydrophobicContact CB-CG 4.27Å
319Y98Very high96Very high6 Ų650.2 Ų50.22%0.02428%0.276CS..THydrogen-bonded Turntrans-58.7-51.3-170.5-176.2-108.8000113.8W187 W194 L241 S279 Y280 E283W187-Y319 AromaticContact NE1-CE1 3.45Å; W187-Y319 AromaticContact NE1-CZ 3.55Å; W187-Y319 PolarHBondContact NE1-OH 3.46Å; W194-Y319 WeakPolarHBondContact CZ3-OH 3.18Å; L241-Y319 HydrophobicContact CD2-CD1 3.97Å; L241-Y319 HydrophobicContact CD2-CE1 3.29Å; S279-Y319 VanDerWaalsContact CB-CD2 3.41Å; Y280-Y319 HydrophobicContact CD1-CD2 4.17Å; Y280-Y319 HydrophobicContact CD1-CE2 4.36Å; Y280-Y319 HydrophobicContact CD2-CD2 4.29Å; Y280-Y319 HydrophobicContact CE1-CD2 4.1Å; Y280-Y319 HydrophobicContact CE2-CD2 4.22Å; Y280-Y319 HydrophobicContact CG-CD2 4.27Å; E283-Y319 HydrophobicContact CG-CE2 4.13Å; E283-Y319 WeakPolarHBondContact OE1-CE2 3.38Å; E283-Y319 VanDerWaalsContact OE1-CZ 3.27Å; E283-Y319 PolarHBondContact OE1-OH 3.09Å
320F97.6Very high95.8Very high0 Ų050.2 Ų50.20%027%0.269CS..THydrogen-bonded Turntrans-86.7-7177-61.2-61.7000114.6W180 A184 H186 W187 V203 F234 A237 E238 L241 H318W180-F320 HydrophobicContact CH2-CD1 4Å; W180-F320 HydrophobicContact CH2-CD2 4.34Å; W180-F320 AromaticContact CH2-CE1 3.86Å; W180-F320 HydrophobicContact CH2-CE1 3.86Å; W180-F320 HydrophobicContact CH2-CE2 4.21Å; W180-F320 HydrophobicContact CH2-CG 4.23Å; W180-F320 AromaticContact CH2-CZ 3.97Å; W180-F320 HydrophobicContact CH2-CZ 3.97Å; W180-F320 HydrophobicContact CZ2-CB 4.48Å; W180-F320 AromaticContact CZ2-CD1 3.61Å; W180-F320 HydrophobicContact CZ2-CD1 3.61Å; W180-F320 AromaticContact CZ2-CE1 3.83Å; W180-F320 HydrophobicContact CZ2-CE1 3.83Å; W180-F320 HydrophobicContact CZ2-CG 4Å; W180-F320 HydrophobicContact CZ2-CZ 4.4Å; A184-F320 WeakPolarHBondContact CA-O 3.37Å; A184-F320 HydrophobicContact CB-CB 4.2Å; A184-F320 VanDerWaalsContact CB-O 3.29Å; A184-F320 WeakPolarHBondContact CB-O 3.39Å; H186-F320 PolarHBondContact CE1-O 3.43Å; W187-F320 HydrophobicContact CB-CD1 4.35Å; W187-F320 AromaticContact CD1-CD1 3.93Å; W187-F320 AromaticContact CD2-CD1 3.87Å; W187-F320 HydrophobicContact CD2-CD1 3.87Å; W187-F320 AromaticContact CD2-CE1 3.65Å; W187-F320 HydrophobicContact CD2-CE1 3.65Å; W187-F320 AromaticContact CE2-CE1 3.55Å; W187-F320 HydrophobicContact CE3-CD1 4.41Å; W187-F320 HydrophobicContact CE3-CE1 4.05Å; W187-F320 AromaticContact CG-CD1 3.79Å; W187-F320 HydrophobicContact CG-CD1 3.79Å; W187-F320 HydrophobicContact CG-CE1 4.05Å; W187-F320 HydrophobicContact CH2-CE1 4.26Å; W187-F320 AromaticContact CZ2-CE1 3.86Å; W187-F320 HydrophobicContact CZ2-CE1 3.86Å; W187-F320 HydrophobicContact CZ3-CE1 4.34Å; W187-F320 AromaticContact NE1-CE1 3.84Å; V203-F320 HydrophobicContact CG1-CE1 4.24Å; V203-F320 HydrophobicContact CG1-CZ 3.88Å; F234-F320 HydrophobicContact CB-CD2 3.62Å; F234-F320 HydrophobicContact CB-CE2 3.76Å; F234-F320 AromaticContact CD1-CD2 3.85Å; F234-F320 HydrophobicContact CD1-CD2 3.85Å; F234-F320 HydrophobicContact CD1-CE2 4.35Å; F234-F320 HydrophobicContact CD1-CG 4.37Å; F234-F320 HydrophobicContact CD2-CB 4.44Å; F234-F320 HydrophobicContact CD2-CD2 4.06Å; F234-F320 HydrophobicContact CE1-CB 4.4Å; F234-F320 HydrophobicContact CE2-CB 4.32Å; F234-F320 AromaticContact CG-CD2 3.58Å; F234-F320 HydrophobicContact CG-CD2 3.58Å; F234-F320 HydrophobicContact CG-CE2 4.16Å; F234-F320 HydrophobicContact CG-CG 4.4Å; F234-F320 HydrophobicContact CZ-CB 4.29Å; A237-F320 HydrophobicContact CB-CE2 4.25Å; A237-F320 HydrophobicContact CB-CZ 4.42Å; E238-F320 HydrophobicContact CG-CD2 4.37Å; E238-F320 HydrophobicContact CG-CE2 3.7Å; L241-F320 HydrophobicContact CD2-CE1 4.43Å; L241-F320 HydrophobicContact CD2-CZ 4.06Å; H318-F320 PolarHBondContact ND1-N 3.36Å; H318-F320 VanDerWaalsContact ND1-N 3.15Å; H318-F320 PolarHBondContact O-N 3.32Å
321L95.8Very high95.6Very high8 Ų852.3 Ų52.34%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-139.168.7-170.6-63.5175.3000108.8S183 A184 L232 F234 H318 N323 L324S183-L321 VanDerWaalsContact OG-CD2 3.32Å; S183-L321 WeakPolarHBondContact OG-CD2 3.41Å; A184-L321 HydrophobicContact CB-CD2 4.14Å; L232-L321 HydrophobicContact CB-CD1 4.33Å; L232-L321 HydrophobicContact CD1-CD1 4.2Å; L232-L321 HydrophobicContact CD1-CD2 4.49Å; F234-L321 HydrophobicContact CE2-CD1 3.72Å; F234-L321 HydrophobicContact CE2-CG 3.96Å; F234-L321 HydrophobicContact CZ-CD1 4.34Å; F234-L321 HydrophobicContact CZ-CD2 4.44Å; F234-L321 HydrophobicContact CZ-CG 4.29Å; H318-L321 HydrophobicContact CB-CB 4.1Å; H318-L321 WeakPolarHBondContact CB-O 3.48Å; H318-L321 PolarHBondContact ND1-N 3.49Å; H318-L321 VanDerWaalsContact ND1-N 3.18Å; H318-L321 CarbonylContact O-C 3.5Å; H318-L321 VanDerWaalsContact O-C 3.24Å; H318-L321 PolarHBondContact O-N 3.45Å; L321-N323 PolarHBondContact O-N 3.41Å; L321-L324 HydrophobicContact CB-CB 4.19Å; L321-L324 HydrophobicContact CD1-CD2 4.42Å; L321-L324 WeakPolarHBondContact O-CB 3.32Å; L321-L324 PolarHBondContact O-N 3.34Å
322P93.6Very high95.5Very high39 Ų3957.7 Ų57.725%0.25331%0.307SS..EExtended strand (participates in β ladder)trans-64.9-14.4-166.226.1-35.6000114.6H186 R315 H318 L324H186-P322 WeakPolarHBondContact CE1-CD 3.22Å; H186-P322 WeakPolarHBondContact NE2-CD 3.43Å; R315-P322 PolarHBondContact NH2-O 3.42Å; H318-P322 WeakPolarHBondContact O-CA 3.31Å; P322-L324 VanDerWaalsContact C-N 3.33Å
323N91.5Very high95.4Very high143 Ų14354.9 Ų54.977%0.76530%0.302SS*.EExtended strand (participates in β ladder)trans-80.1-14.1172.9-65.8-23.4000113.2L321L321-N323 PolarHBondContact O-N 3.41Å
324L93.3Very high95.4Very high28 Ų2850.7 Ų50.715%0.14727%0.274CS..EExtended strand (participates in β ladder)trans-88.7117.1173.3179.665.8000109.4P317 H318 L321 P322P317-L324 WeakPolarHBondContact CA-O 3.41Å; H318-L324 HydrophobicContact CB-CB 4.03Å; H318-L324 HydrophobicContact CB-CD2 4.07Å; H318-L324 HydrophobicContact CB-CG 4.27Å; H318-L324 PolarHBondContact N-O 3.25Å; L321-L324 HydrophobicContact CB-CB 4.19Å; L321-L324 HydrophobicContact CD1-CD2 4.42Å; L321-L324 WeakPolarHBondContact O-CB 3.32Å; L321-L324 PolarHBondContact O-N 3.34Å; P322-L324 VanDerWaalsContact C-N 3.33Å
325D95.1Very high95.5Very high34 Ų3445.3 Ų45.318%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-91.7117.5174.7-179.513.5000111.1R315 C316 F327 Q328R315-D325 WeakPolarHBondContact CA-OD1 3.31Å; R315-D325 HydrophobicContact CG-CB 4.34Å; C316-D325 PolarHBondContact N-OD1 3.02Å; D325-F327 PolarHBondContact O-N 3.42Å; D325-F327 PolarHBondContact OD1-N 3.04Å; D325-Q328 HydrophobicContact CB-CB 4.33Å; D325-Q328 WeakPolarHBondContact O-CB 3.39Å; D325-Q328 PolarHBondContact O-N 3.33Å; D325-Q328 VanDerWaalsContact O-N 3.14Å
326L95.7Very high95.5Very high31 Ų3143.6 Ų43.616%0.16225%0.252CS..THydrogen-bonded Turntrans-70.8-15.7179.6-56.8178.7000113.1Y272 H273 T276 C316 H318Y272-L326 HydrophobicContact CD1-CD1 3.94Å; Y272-L326 HydrophobicContact CD1-CD2 4.21Å; Y272-L326 HydrophobicContact CE1-CD1 3.8Å; Y272-L326 HydrophobicContact CE1-CD2 3.86Å; H273-L326 PolarHBondContact NE2-O 3.23Å; T276-L326 HydrophobicContact CG2-CD1 3.95Å; C316-L326 HydrophobicContact CB-CB 4.21Å; C316-L326 WeakPolarHBondContact O-CB 3.36Å; C316-L326 WeakPolarHBondContact O-CG 3.44Å; C316-L326 PolarHBondContact O-N 3.07Å; H318-L326 HydrophobicContact CB-CD2 4Å; H318-L326 HydrophobicContact CB-CG 4.27Å
327F95.9Very high95.5Very high4 Ų447.8 Ų47.82%0.01827%0.274CS..THydrogen-bonded Turntrans-92.61172.5-66.6-22000113.7L269 H273 L307 C310 L311 C316 D325 G329 K330 L335L269-F327 HydrophobicContact CD2-CE1 3.83Å; L269-F327 HydrophobicContact CD2-CZ 3.93Å; H273-F327 AromaticContact CE1-CD1 3.99Å; H273-F327 AromaticContact CE1-CE1 3.69Å; H273-F327 AromaticContact ND1-CE1 3.76Å; H273-F327 AromaticContact NE2-CD1 3.96Å; H273-F327 AromaticContact NE2-CE1 3.89Å; L307-F327 HydrophobicContact CD1-CZ 4.37Å; C310-F327 HydrophobicContact CB-CE2 3.82Å; C310-F327 HydrophobicContact CB-CZ 4.46Å; L311-F327 HydrophobicContact CD2-CE1 4.33Å; L311-F327 HydrophobicContact CD2-CE2 3.74Å; L311-F327 HydrophobicContact CD2-CZ 3.6Å; L311-F327 HydrophobicContact CG-CE2 4.02Å; L311-F327 HydrophobicContact CG-CZ 4.02Å; C316-F327 HydrophobicContact CB-CD1 4.06Å; C316-F327 HydrophobicContact CB-CD2 3.68Å; C316-F327 HydrophobicContact CB-CE1 3.97Å; C316-F327 HydrophobicContact CB-CE2 3.6Å; C316-F327 HydrophobicContact CB-CG 3.92Å; C316-F327 HydrophobicContact CB-CZ 3.74Å; D325-F327 PolarHBondContact O-N 3.42Å; D325-F327 PolarHBondContact OD1-N 3.04Å; F327-G329 PolarHBondContact O-N 3.38Å; F327-K330 VanDerWaalsContact O-CB 3.28Å; F327-K330 WeakPolarHBondContact O-CB 3.44Å; F327-K330 WeakPolarHBondContact O-CG 3.33Å; F327-K330 PolarHBondContact O-N 3.15Å; F327-L335 HydrophobicContact CB-CD1 4.24Å; F327-L335 HydrophobicContact CB-CD2 4.16Å; F327-L335 HydrophobicContact CD1-CD2 4.02Å; F327-L335 HydrophobicContact CD2-CD2 4.03Å; F327-L335 HydrophobicContact CE1-CD2 4.42Å; F327-L335 HydrophobicContact CE2-CD2 4.42Å; F327-L335 HydrophobicContact CG-CD2 3.82Å
328Q92Very high95.6Very high89 Ų8946.3 Ų46.342%0.41626%0.264SS..THydrogen-bonded Turntrans-56132.2177.3-171.6173.5-4.600111.2S217 D325 K330S217-Q328 PolarHBondContact O-NE2 3.42Å; D325-Q328 HydrophobicContact CB-CB 4.33Å; D325-Q328 WeakPolarHBondContact O-CB 3.39Å; D325-Q328 PolarHBondContact O-N 3.33Å; D325-Q328 VanDerWaalsContact O-N 3.14Å; Q328-K330 PolarHBondContact O-N 2.8Å
329G89.6Confident95.6Very high79 Ų7946.2 Ų46.281%0.81427%0.265SS*.THydrogen-bonded Turntrans77.8-2.8-178.600000115.3F327F327-G329 PolarHBondContact O-N 3.38Å
330K93Very high95.7Very high62 Ų6250.7 Ų50.727%0.2729%0.285SS..  trans-76.9137.5175.4-61.4-62.9-176.2173.60111.1Q267 F327 Q328 H332 L335Q267-K330 PolarHBondContact O-NZ 2.92Å; F327-K330 VanDerWaalsContact O-CB 3.28Å; F327-K330 WeakPolarHBondContact O-CB 3.44Å; F327-K330 WeakPolarHBondContact O-CG 3.33Å; F327-K330 PolarHBondContact O-N 3.15Å; Q328-K330 PolarHBondContact O-N 2.8Å; K330-H332 PolarHBondContact O-N 2.55Å; K330-L335 HydrophobicContact CB-CD1 4.28Å; K330-L335 HydrophobicContact CB-CD2 3.93Å; K330-L335 HydrophobicContact CB-CG 4.12Å
331P94.7Very high95.7Very high64 Ų6453.3 Ų53.342%0.41630%0.297SS..  trans-59132.1177.7-23.432.9000111.8S333 A334 L335P331-S333 VanDerWaalsContact C-N 3.26Å; P331-S333 PolarHBondContact O-N 3.47Å; P331-A334 HydrophobicContact CB-CB 4.07Å; P331-A334 HydrophobicContact CG-CB 4.43Å; P331-A334 WeakPolarHBondContact O-CB 3.17Å; P331-A334 PolarHBondContact O-N 3.4Å; P331-L335 PolarHBondContact O-N 3.35Å; P331-L335 VanDerWaalsContact O-N 3.13Å
332H96.4Very high95.8Very high114 Ų11453 Ų5353%0.52830%0.295SS..Hα-helixtrans-56.5-39.9-179.4-67.6174.4000112.8R314 K330 A334 L335 E336R314-H332 PolarHBondContact NH1-ND1 3Å; K330-H332 PolarHBondContact O-N 2.55Å; H332-A334 VanDerWaalsContact C-N 3.32Å; H332-A334 PolarHBondContact O-N 3.32Å; H332-L335 PolarHBondContact O-N 3.09Å; H332-E336 PolarHBondContact O-N 3.11Å
333S97.1Very high96.1Very high75 Ų7557.2 Ų57.252%0.52431%0.306SS..Hα-helixtrans-63.9-36176.953.60000112.6P331 N337P331-S333 VanDerWaalsContact C-N 3.26Å; P331-S333 PolarHBondContact O-N 3.47Å; S333-N337 WeakPolarHBondContact O-CB 3.38Å; S333-N337 VanDerWaalsContact O-CG 3.22Å; S333-N337 PolarHBondContact O-N 3.21Å; S333-N337 PolarHBondContact O-ND2 2.99Å
334A97.9Very high96.4Very high4 Ų457.9 Ų57.93%0.03330%0.298CS..Hα-helixtrans-67.6-41.317600000111.3P268 P331 H332 N337 A338P268-A334 HydrophobicContact CB-CB 4.13Å; P268-A334 HydrophobicContact CG-CB 4.28Å; P331-A334 HydrophobicContact CB-CB 4.07Å; P331-A334 HydrophobicContact CG-CB 4.43Å; P331-A334 WeakPolarHBondContact O-CB 3.17Å; P331-A334 PolarHBondContact O-N 3.4Å; H332-A334 VanDerWaalsContact C-N 3.32Å; H332-A334 PolarHBondContact O-N 3.32Å; A334-N337 PolarHBondContact O-N 3.32Å; A334-A338 WeakPolarHBondContact O-CB 3.43Å; A334-A338 PolarHBondContact O-N 3.34Å
335L98.4Very high96.6Very high2 Ų256.8 Ų56.81%0.0129%0.292CS..Hα-helixtrans-63.6-43.2175.8-62.3175.2000111.8P268 L311 R314 F327 K330 P331 H332 A338 A339P268-L335 HydrophobicContact CB-CD2 4.03Å; L311-L335 HydrophobicContact CD2-CB 4.32Å; L311-L335 HydrophobicContact CD2-CD2 3.79Å; R314-L335 HydrophobicContact CB-CD1 3.85Å; R314-L335 HydrophobicContact CG-CD1 3.99Å; F327-L335 HydrophobicContact CB-CD1 4.24Å; F327-L335 HydrophobicContact CB-CD2 4.16Å; F327-L335 HydrophobicContact CD1-CD2 4.02Å; F327-L335 HydrophobicContact CD2-CD2 4.03Å; F327-L335 HydrophobicContact CE1-CD2 4.42Å; F327-L335 HydrophobicContact CE2-CD2 4.42Å; F327-L335 HydrophobicContact CG-CD2 3.82Å; K330-L335 HydrophobicContact CB-CD1 4.28Å; K330-L335 HydrophobicContact CB-CD2 3.93Å; K330-L335 HydrophobicContact CB-CG 4.12Å; P331-L335 PolarHBondContact O-N 3.35Å; P331-L335 VanDerWaalsContact O-N 3.13Å; H332-L335 PolarHBondContact O-N 3.09Å; L335-A338 PolarHBondContact O-N 3.25Å; L335-A339 PolarHBondContact O-N 3.24Å
336E98Very high96.7Very high93 Ų9355.3 Ų55.344%0.43529%0.285SS..Hα-helixtrans-63.7-44.2177.1-170-171.8151.200112.1H332 A338 A339 K340H332-E336 PolarHBondContact O-N 3.11Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 2.92Å; E336-A339 WeakPolarHBondContact O-CB 3.25Å; E336-A339 PolarHBondContact O-N 3.46Å; E336-K340 WeakPolarHBondContact O-CG 3.24Å; E336-K340 PolarHBondContact O-N 2.82Å; E336-K340 VanDerWaalsContact O-N 3.07Å; E336-K340 VanDerWaalsContact OE1-CE 3.26Å; E336-K340 WeakPolarHBondContact OE1-CE 3.48Å; E336-K340 IonicContact OE1-NZ 3.53Å; E336-K340 PolarHBondContact OE1-NZ 3.22Å
337N97.9Very high96.7Very high89 Ų8960.8 Ų60.848%0.47630%0.303SS..Hα-helixtrans-63.4-40.4176.3-73.7-24.2000111.7S333 A334 A339 K340 Q341S333-N337 WeakPolarHBondContact O-CB 3.38Å; S333-N337 VanDerWaalsContact O-CG 3.22Å; S333-N337 PolarHBondContact O-N 3.21Å; S333-N337 PolarHBondContact O-ND2 2.99Å; A334-N337 PolarHBondContact O-N 3.32Å; N337-A339 VanDerWaalsContact C-N 3.33Å; N337-A339 PolarHBondContact O-N 2.85Å; N337-K340 PolarHBondContact O-N 3.1Å; N337-Q341 WeakPolarHBondContact O-CB 3.32Å; N337-Q341 PolarHBondContact O-N 2.8Å
338A98.5Very high96.7Very high0 Ų064.3 Ų64.30%032%0.32CS..Hα-helixtrans-62.5-38.917300000112.3L264 P268 L269 L311 A334 L335 E336 Q341 T342L264-A338 HydrophobicContact CD1-CB 3.91Å; P268-A338 HydrophobicContact CB-CB 4.07Å; P268-A338 HydrophobicContact CG-CB 3.67Å; L269-A338 HydrophobicContact CD1-CB 4.11Å; L269-A338 HydrophobicContact CG-CB 4.38Å; L311-A338 HydrophobicContact CD1-CB 3.9Å; L311-A338 HydrophobicContact CD2-CB 3.85Å; A334-A338 WeakPolarHBondContact O-CB 3.43Å; A334-A338 PolarHBondContact O-N 3.34Å; L335-A338 PolarHBondContact O-N 3.25Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 2.92Å; A338-Q341 PolarHBondContact O-N 2.85Å; A338-T342 VanDerWaalsContact O-CB 3.28Å; A338-T342 WeakPolarHBondContact O-CB 3.48Å; A338-T342 PolarHBondContact O-N 3.27Å; A338-T342 PolarHBondContact O-OG1 3.29Å
339A98.6Very high96.9Very high6 Ų660.3 Ų60.35%0.0530%0.301CS..Hα-helixtrans-61.4-47.9176.600000111L311 Q312 L335 E336 N337 Q341 T342 W343L311-A339 HydrophobicContact CB-CB 3.78Å; L311-A339 HydrophobicContact CD1-CB 4.42Å; Q312-A339 HydrophobicContact CG-CB 4.11Å; L335-A339 PolarHBondContact O-N 3.24Å; E336-A339 WeakPolarHBondContact O-CB 3.25Å; E336-A339 PolarHBondContact O-N 3.46Å; N337-A339 VanDerWaalsContact C-N 3.33Å; N337-A339 PolarHBondContact O-N 2.85Å; A339-Q341 PolarHBondContact O-N 3.41Å; A339-T342 PolarHBondContact O-N 2.52Å; A339-W343 WeakPolarHBondContact O-CB 3.3Å; A339-W343 PolarHBondContact O-N 3.05Å
340K98.3Very high97Very high101 Ų10160.4 Ų60.444%0.43928%0.283SS..Hα-helixtrans-59.4-46177.6-68.8171.9-174.3165.10111.5E336 N337 W343 R344E336-K340 WeakPolarHBondContact O-CG 3.24Å; E336-K340 PolarHBondContact O-N 2.82Å; E336-K340 VanDerWaalsContact O-N 3.07Å; E336-K340 VanDerWaalsContact OE1-CE 3.26Å; E336-K340 WeakPolarHBondContact OE1-CE 3.48Å; E336-K340 IonicContact OE1-NZ 3.53Å; E336-K340 PolarHBondContact OE1-NZ 3.22Å; N337-K340 PolarHBondContact O-N 3.1Å; K340-W343 PolarHBondContact O-N 3.38Å; K340-R344 WeakPolarHBondContact O-CG 3.44Å; K340-R344 PolarHBondContact O-N 3.34Å; K340-R344 VanDerWaalsContact O-N 3.08Å
341Q98.3Very high97.1Very high55 Ų5562.5 Ų62.526%0.25730%0.301SS..Hα-helixtrans-69-40.2-179.3-172.36210.300112.3H261 L262 L264 N337 A338 A339 W343 R344 L345H261-Q341 WeakPolarHBondContact O-CG 3.16Å; L262-Q341 HydrophobicContact CD2-CB 4.14Å; L262-Q341 HydrophobicContact CD2-CG 3.74Å; L264-Q341 HydrophobicContact CD1-CB 4.13Å; L264-Q341 HydrophobicContact CD1-CG 4.47Å; L264-Q341 HydrophobicContact CD2-CG 4.42Å; N337-Q341 WeakPolarHBondContact O-CB 3.32Å; N337-Q341 PolarHBondContact O-N 2.8Å; A338-Q341 PolarHBondContact O-N 2.85Å; A339-Q341 PolarHBondContact O-N 3.41Å; Q341-W343 VanDerWaalsContact C-N 3.33Å; Q341-W343 PolarHBondContact O-N 3.49Å; Q341-R344 PolarHBondContact O-N 2.82Å; Q341-L345 PolarHBondContact O-N 3.19Å
342T98.6Very high97.1Very high0 Ų063 Ų630%030%0.3CS..Hα-helixtrans-64.1-39.7175.7-53.60000110.9L304 L307 I308 A338 A339 L345 A346L304-T342 HydrophobicContact CD2-CG2 4.05Å; L307-T342 HydrophobicContact CB-CG2 4.33Å; L307-T342 HydrophobicContact CD2-CG2 3.72Å; L307-T342 HydrophobicContact CG-CG2 4.04Å; I308-T342 HydrophobicContact CD1-CG2 4.11Å; I308-T342 HydrophobicContact CG1-CG2 3.64Å; A338-T342 VanDerWaalsContact O-CB 3.28Å; A338-T342 WeakPolarHBondContact O-CB 3.48Å; A338-T342 PolarHBondContact O-N 3.27Å; A338-T342 PolarHBondContact O-OG1 3.29Å; A339-T342 PolarHBondContact O-N 2.52Å; T342-L345 PolarHBondContact O-N 2.87Å; T342-A346 WeakPolarHBondContact O-CB 3.4Å; T342-A346 PolarHBondContact O-N 3.31Å
343W98.3Very high96.9Very high128 Ų12858.3 Ų58.349%0.48528%0.279SS..Hα-helixtrans-64.2-42.4176.2-167.491.2000112.5I308 A339 K340 Q341 L345 A346 R347I308-W343 HydrophobicContact CD1-CB 4.01Å; I308-W343 HydrophobicContact CD1-CG 4.39Å; I308-W343 HydrophobicContact CG1-CB 4.44Å; A339-W343 WeakPolarHBondContact O-CB 3.3Å; A339-W343 PolarHBondContact O-N 3.05Å; K340-W343 PolarHBondContact O-N 3.38Å; Q341-W343 VanDerWaalsContact C-N 3.33Å; Q341-W343 PolarHBondContact O-N 3.49Å; W343-L345 PolarHBondContact O-N 3.33Å; W343-A346 PolarHBondContact O-N 3.22Å; W343-R347 VanDerWaalsContact O-CB 3.28Å; W343-R347 WeakPolarHBondContact O-CB 3.34Å; W343-R347 PolarHBondContact O-N 3.12Å
344R97.9Very high96.8Very high158 Ų15860.3 Ų60.360%0.59628%0.279SS*.Hα-helixtrans-58.5-48173.6-72.2172.4-179.3174.2-2.5111.2K340 Q341 R347 E348K340-R344 WeakPolarHBondContact O-CG 3.44Å; K340-R344 PolarHBondContact O-N 3.34Å; K340-R344 VanDerWaalsContact O-N 3.08Å; Q341-R344 PolarHBondContact O-N 2.82Å; R344-R347 PolarHBondContact O-N 3.27Å; R344-E348 WeakPolarHBondContact O-CB 3.4Å; R344-E348 PolarHBondContact O-N 2.95Å
345L97.5Very high96.7Very high4 Ų460.3 Ų60.32%0.02128%0.278CS..Hα-helixtrans-61-49.3178.9-174.868.1000112.1L257 Q341 T342 W343 R347 E348 I349 L359L257-L345 HydrophobicContact CB-CD2 4.1Å; L257-L345 HydrophobicContact CD1-CD2 4.4Å; L257-L345 HydrophobicContact CD2-CD1 4.24Å; L257-L345 HydrophobicContact CD2-CD2 4.35Å; Q341-L345 PolarHBondContact O-N 3.19Å; T342-L345 PolarHBondContact O-N 2.87Å; W343-L345 PolarHBondContact O-N 3.33Å; L345-R347 PolarHBondContact O-N 3.45Å; L345-E348 PolarHBondContact O-N 2.88Å; L345-I349 HydrophobicContact CD1-CD1 4.18Å; L345-I349 HydrophobicContact CG-CD1 3.96Å; L345-I349 WeakPolarHBondContact O-CG1 3.15Å; L345-I349 PolarHBondContact O-N 3.12Å; L345-L359 HydrophobicContact CD1-CD1 3.71Å; L345-L359 HydrophobicContact CD1-CD2 3.78Å; L345-L359 HydrophobicContact CD1-CG 4.36Å
346A97.3Very high96.5Very high4 Ų460.3 Ų60.33%0.03328%0.278CS..Hα-helixtrans-60.1-46.2178.800000111.5L304 I308 T342 W343 E348 I349 L350L304-A346 HydrophobicContact CB-CB 4.01Å; L304-A346 HydrophobicContact CD1-CB 4.03Å; I308-A346 HydrophobicContact CD1-CB 4.3Å; T342-A346 WeakPolarHBondContact O-CB 3.4Å; T342-A346 PolarHBondContact O-N 3.31Å; W343-A346 PolarHBondContact O-N 3.22Å; A346-E348 VanDerWaalsContact C-N 3.35Å; A346-E348 PolarHBondContact O-N 3.24Å; A346-I349 PolarHBondContact O-N 2.72Å; A346-L350 WeakPolarHBondContact O-CB 3.47Å; A346-L350 VanDerWaalsContact O-CG 3.29Å; A346-L350 WeakPolarHBondContact O-CG 3.28Å; A346-L350 PolarHBondContact O-N 3.48Å
347R96.8Very high96.3Very high145 Ų14559.9 Ų59.955%0.54728%0.276SS..Hα-helixtrans-60.6-43.7176.7-179.5175.6173.4179.2-0.4111.7W343 R344 L345 L350 T351W343-R347 VanDerWaalsContact O-CB 3.28Å; W343-R347 WeakPolarHBondContact O-CB 3.34Å; W343-R347 PolarHBondContact O-N 3.12Å; R344-R347 PolarHBondContact O-N 3.27Å; L345-R347 PolarHBondContact O-N 3.45Å; R347-L350 PolarHBondContact O-N 3.38Å; R347-T351 HydrophobicContact CG-CG2 4.26Å; R347-T351 WeakPolarHBondContact O-CB 3.42Å; R347-T351 WeakPolarHBondContact O-CG2 3.46Å; R347-T351 PolarHBondContact O-N 3.39Å; R347-T351 PolarHBondContact O-OG1 3.47Å
348E95.9Very high96Very high79 Ų7964.4 Ų64.437%0.36929%0.292SS..Hα-helixtrans-64.2-46.1-179.5-167.2177.3177.400111.9R344 L345 A346 L350 N352 S355R344-E348 WeakPolarHBondContact O-CB 3.4Å; R344-E348 PolarHBondContact O-N 2.95Å; L345-E348 PolarHBondContact O-N 2.88Å; A346-E348 VanDerWaalsContact C-N 3.35Å; A346-E348 PolarHBondContact O-N 3.24Å; E348-L350 PolarHBondContact O-N 3.46Å; E348-N352 CarbonylContact O-C 3.54Å; E348-N352 WeakPolarHBondContact O-CA 3.4Å; E348-N352 PolarHBondContact O-N 2.97Å; E348-S355 PolarHBondContact O-OG 3.44Å; E348-S355 WeakPolarHBondContact OE1-CB 3.42Å
349I95.7Very high95.7Very high5 Ų565 Ų653%0.02630%0.295CS..Hα-helixtrans-61.4-45176.9-67.2168.8000111.1L8 L257 L300 L304 L345 A346 L356 L359L8-I349 HydrophobicContact CD1-CG2 3.84Å; L257-I349 HydrophobicContact CD1-CD1 3.87Å; L257-I349 HydrophobicContact CD2-CD1 4.33Å; L300-I349 HydrophobicContact CD2-CG2 4.43Å; L304-I349 HydrophobicContact CD1-CD1 4.26Å; L345-I349 HydrophobicContact CD1-CD1 4.18Å; L345-I349 HydrophobicContact CG-CD1 3.96Å; L345-I349 WeakPolarHBondContact O-CG1 3.15Å; L345-I349 PolarHBondContact O-N 3.12Å; A346-I349 PolarHBondContact O-N 2.72Å; I349-L356 HydrophobicContact CD1-CD2 4.28Å; I349-L356 HydrophobicContact CG1-CD2 4.09Å; I349-L356 HydrophobicContact CG1-CG 4.46Å; I349-L359 HydrophobicContact CD1-CD1 4.28Å; I349-L359 HydrophobicContact CG1-CD1 3.78Å
350L92.7Very high95.6Very high81 Ų8168 Ų6842%0.42431%0.307SS..Hα-helixtrans-68.3-45.1-178.2-77.6177.7000113.5N301 A346 R347 E348N301-L350 HydrophobicContact CB-CD2 4.02Å; N301-L350 VanDerWaalsContact OD1-CD1 3.29Å; N301-L350 WeakPolarHBondContact OD1-CD1 3.37Å; A346-L350 WeakPolarHBondContact O-CB 3.47Å; A346-L350 VanDerWaalsContact O-CG 3.29Å; A346-L350 WeakPolarHBondContact O-CG 3.28Å; A346-L350 PolarHBondContact O-N 3.48Å; R347-L350 PolarHBondContact O-N 3.38Å; E348-L350 PolarHBondContact O-N 3.46Å
351T94Very high95.4Very high105 Ų10566.2 Ų66.264%0.64430%0.3SS*.Hα-helixtrans-88.1-23.7-17258.90000112.8R347R347-T351 HydrophobicContact CG-CG2 4.26Å; R347-T351 WeakPolarHBondContact O-CB 3.42Å; R347-T351 WeakPolarHBondContact O-CG2 3.46Å; R347-T351 PolarHBondContact O-N 3.39Å; R347-T351 PolarHBondContact O-OG1 3.47Å
352N94.5Very high95.3Very high76 Ų7666.8 Ų66.841%0.40630%0.303SS..  trans-141.881.3178-179.617.6000110.7E348 K354 S355E348-N352 CarbonylContact O-C 3.54Å; E348-N352 WeakPolarHBondContact O-CA 3.4Å; E348-N352 PolarHBondContact O-N 2.97Å; N352-K354 PolarHBondContact O-N 3.11Å; N352-K354 PolarHBondContact OD1-N 3.22Å; N352-S355 WeakPolarHBondContact O-CB 3.43Å; N352-S355 PolarHBondContact O-N 3.17Å; N352-S355 PolarHBondContact O-OG 3.39Å
353P93.1Very high95.1Very high14 Ų1470.8 Ų70.89%0.09132%0.32CS..G310 helixtrans-56.3-24.3-179.7-3036.4000115.3L8 H11 S355 L356L8-P353 HydrophobicContact CB-CB 4.43Å; L8-P353 HydrophobicContact CB-CG 4.21Å; L8-P353 HydrophobicContact CD1-CB 4Å; L8-P353 HydrophobicContact CD1-CG 4.16Å; H11-P353 HydrophobicContact CB-CB 4.3Å; H11-P353 WeakPolarHBondContact CB-O 3.44Å; P353-S355 PolarHBondContact O-N 3.31Å; P353-L356 PolarHBondContact O-N 2.74Å
354K95.1Very high94.9Very high118 Ų11867.2 Ų67.251%0.51331%0.31SS..G310 helixtrans-65.2-20.6174.2-72-175.7172.4-171.70112.8H11 N352 L356 E357H11-K354 WeakPolarHBondContact NE2-CG 3.42Å; N352-K354 PolarHBondContact O-N 3.11Å; N352-K354 PolarHBondContact OD1-N 3.22Å; K354-L356 PolarHBondContact O-N 2.67Å; K354-E357 WeakPolarHBondContact O-CB 3.37Å; K354-E357 PolarHBondContact O-N 3.49Å; K354-E357 VanDerWaalsContact O-N 3.14Å
355S95.3Very high94.7Very high3 Ų361.1 Ų61.12%0.02129%0.291CS..G310 helixtrans-55.8-30.9175.860.70000112.9E348 N352 P353 E357 K358 L359E348-S355 PolarHBondContact O-OG 3.44Å; E348-S355 WeakPolarHBondContact OE1-CB 3.42Å; N352-S355 WeakPolarHBondContact O-CB 3.43Å; N352-S355 PolarHBondContact O-N 3.17Å; N352-S355 PolarHBondContact O-OG 3.39Å; P353-S355 PolarHBondContact O-N 3.31Å; S355-E357 PolarHBondContact O-N 3.11Å; S355-K358 WeakPolarHBondContact O-CA 3.43Å; S355-K358 WeakPolarHBondContact O-CB 3.1Å; S355-K358 PolarHBondContact O-N 2.95Å; S355-L359 PolarHBondContact O-N 2.95Å
356L95.3Very high94.5Very high2 Ų265.2 Ų65.21%0.0131%0.31CS..G310 helixtrans-53.8-26.6177-75.6164.5000113L8 H11 L12 Y15 I349 P353 K354 K358 L359L8-L356 HydrophobicContact CD1-CD1 4.33Å; H11-L356 HydrophobicContact CB-CD1 3.83Å; L12-L356 HydrophobicContact CD2-CD1 3.56Å; L12-L356 HydrophobicContact CD2-CD2 4.2Å; L12-L356 HydrophobicContact CG-CD1 3.89Å; Y15-L356 HydrophobicContact CD2-CB 4.11Å; Y15-L356 HydrophobicContact CD2-CD2 3.95Å; Y15-L356 WeakPolarHBondContact CD2-O 3.4Å; Y15-L356 HydrophobicContact CE2-CD2 4.34Å; Y15-L356 HydrophobicContact CG-CD2 4.08Å; I349-L356 HydrophobicContact CD1-CD2 4.28Å; I349-L356 HydrophobicContact CG1-CD2 4.09Å; I349-L356 HydrophobicContact CG1-CG 4.46Å; P353-L356 PolarHBondContact O-N 2.74Å; K354-L356 PolarHBondContact O-N 2.67Å; L356-K358 VanDerWaalsContact C-N 3.26Å; L356-K358 PolarHBondContact O-N 3.47Å; L356-L359 HydrophobicContact CD2-CD1 4.18Å
357E93.2Very high94.3Very high84 Ų8469.9 Ų69.939%0.39333%0.332SS..G310 helixtrans-67.8-29.3176.7-59.8-175.4165.700112.8H11 K14 K354 S355H11-E357 IonicContact CE1-OE1 3.69Å; H11-E357 IonicContact ND1-OE1 2.68Å; K14-E357 IonicContact NZ-OE1 3.57Å; K14-E357 PolarHBondContact NZ-OE1 2.63Å; K354-E357 WeakPolarHBondContact O-CB 3.37Å; K354-E357 PolarHBondContact O-N 3.49Å; K354-E357 VanDerWaalsContact O-N 3.14Å; S355-E357 PolarHBondContact O-N 3.11Å
358K92.1Very high94Very high184 Ų18463.7 Ų63.780%0.831%0.314SS*.THydrogen-bonded Turntrans-92.4-29.9178.2-61.5-176.2179.3-176.90112.6S355 L356S355-K358 WeakPolarHBondContact O-CA 3.43Å; S355-K358 WeakPolarHBondContact O-CB 3.1Å; S355-K358 PolarHBondContact O-N 2.95Å; L356-K358 VanDerWaalsContact C-N 3.26Å; L356-K358 PolarHBondContact O-N 3.47Å
359L91.7Very high93.9Very high13 Ų1362.3 Ų62.37%0.06831%0.309CS..  trans-60.10177.8-68.4175.1000111.1Y15 L257 R260 H261 L345 I349 S355 L356Y15-L359 HydrophobicContact CE2-CB 4.27Å; Y15-L359 WeakPolarHBondContact CE2-O 3.41Å; L257-L359 HydrophobicContact CD2-CD1 4.47Å; R260-L359 PolarHBondContact NE-O 3.39Å; R260-L359 PolarHBondContact NE-OXT 3.36Å; R260-L359 PolarHBondContact NH2-O 3.22Å; R260-L359 PolarHBondContact NH2-OXT 3.15Å; H261-L359 PolarHBondContact CE1-OXT 3.1Å; H261-L359 WeakPolarHBondContact NE2-CA 3.31Å; H261-L359 WeakPolarHBondContact NE2-CB 3.35Å; H261-L359 PolarHBondContact NE2-OXT 3.5Å; L345-L359 HydrophobicContact CD1-CD1 3.71Å; L345-L359 HydrophobicContact CD1-CD2 3.78Å; L345-L359 HydrophobicContact CD1-CG 4.36Å; I349-L359 HydrophobicContact CD1-CD1 4.28Å; I349-L359 HydrophobicContact CG1-CD1 3.78Å; S355-L359 PolarHBondContact O-N 2.95Å; L356-L359 HydrophobicContact CD2-CD1 4.18Å

Retrieved 359 of 359 residues in 111.5 ms (Link to these results)

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