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Putative nucleotidyltransferase MAB21L1

Putative nucleotidyltransferase required for several aspects of embryonic development including normal development of the eye, notochord, neural tube and other organ tissues, and for embryonic turning1,2. It is unclear whether it displays nucleotidyltransferase activity in vivo (By similarity). Binds single-stranded RNA (ssRNA) (By similarity).

AlphaFold DB , UniProt , Accession O70299, Species MOUSE (Mus musculus, Mouse), 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 386.3 ms (Link to these results)

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