A0A087XKR2_POEFO Loading...

PCI domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A087XKR2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 400 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
1M54.8Low80.7Confident116 Ų11666 Ų6657%0.57135%0.35SS*.  0-22.40-68179.2-154.600114.9H3 I4 H33 P34M1-H3 PolarHBondContact O-N 3.07Å; M1-I4 HydrophobicContact CB-CD1 4.18Å; M1-I4 HydrophobicContact CG-CD1 3.96Å; M1-I4 PolarHBondContact O-N 3.36Å; M1-H33 WeakPolarHBondContact CE-CE1 3.34Å; M1-H33 WeakPolarHBondContact CE-NE2 3.32Å; M1-H33 PolarHBondContact SD-CE1 3.22Å; M1-P34 HydrophobicContact CE-CG 4.44Å; M1-P34 HydrophobicContact SD-CB 3.78Å; M1-P34 HydrophobicContact SD-CG 3.92Å
2A50.6Low81.8Confident78 Ų7865.5 Ų65.565%0.64535%0.345SS*.THydrogen-bonded Turntrans-61.8-8.5-178.800000115.8
3H65.3Low82.6Confident146 Ų14660.5 Ų60.568%0.67632%0.318SS*.THydrogen-bonded Turntrans-120.72.4-177.5-64.7-66.8000115M1 T5 R40M1-H3 PolarHBondContact O-N 3.07Å; H3-T5 PolarHBondContact O-N 3.3Å; H3-R40 PolarHBondContact O-NH1 2.96Å
4I83.6Confident83.4Confident31 Ų3158.4 Ų58.416%0.15931%0.308CS..  trans-63.8128.4-178.3-64.7175.1000109.1M1 Q8 N38M1-I4 HydrophobicContact CB-CD1 4.18Å; M1-I4 HydrophobicContact CG-CD1 3.96Å; M1-I4 PolarHBondContact O-N 3.36Å; I4-Q8 HydrophobicContact CG2-CB 3.99Å; I4-N38 PolarHBondContact O-ND2 2.99Å
5T88.1Confident84.1Confident55 Ų5561.9 Ų61.934%0.33732%0.321SS..  trans-81.4159.717466.70000110.7H3 N7 Q8 Y9H3-T5 PolarHBondContact O-N 3.3Å; T5-N7 PolarHBondContact O-N 3.02Å; T5-Q8 PolarHBondContact O-N 3.48Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.3Å; T5-Q8 PolarHBondContact OG1-N 2.98Å; T5-Y9 WeakPolarHBondContact O-CB 3.28Å; T5-Y9 PolarHBondContact O-N 3.16Å
6I87.5Confident84.7Confident18 Ų1858.1 Ų58.19%0.09230%0.302CS..Hα-helixtrans-53.8-44.4175.5-64.5174.6000110.5Q8 Y9 L10 R40 L41 K49I6-Q8 PolarHBondContact O-N 3.4Å; I6-Y9 WeakPolarHBondContact O-CB 3.44Å; I6-Y9 PolarHBondContact O-N 3.49Å; I6-L10 HydrophobicContact CG2-CD1 3.71Å; I6-L10 HydrophobicContact CG2-CG 4.08Å; I6-L10 VanDerWaalsContact O-CG 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.35Å; I6-L10 PolarHBondContact O-N 3.2Å; I6-R40 WeakPolarHBondContact CD1-O 3.46Å; I6-R40 WeakPolarHBondContact CG1-O 3.31Å; I6-L41 HydrophobicContact CB-CD2 4.45Å; I6-L41 HydrophobicContact CG1-CD2 3.97Å; I6-K49 HydrophobicContact CD1-CD 4.38Å; I6-K49 HydrophobicContact CG2-CD 4.27Å
7N89.4Confident85.1Confident83 Ų8355.6 Ų55.644%0.44429%0.289SS..Hα-helixtrans-64.7-42.7-177.9-65.8-1.3000112.3T5 Y9 L10 Q11 I53T5-N7 PolarHBondContact O-N 3.02Å; N7-Y9 VanDerWaalsContact C-N 3.32Å; N7-Y9 PolarHBondContact O-N 2.92Å; N7-L10 PolarHBondContact O-N 3.39Å; N7-Q11 WeakPolarHBondContact O-CB 3.46Å; N7-Q11 VanDerWaalsContact O-CG 3.31Å; N7-Q11 WeakPolarHBondContact O-CG 3.35Å; N7-Q11 PolarHBondContact O-N 2.99Å; N7-I53 HydrophobicContact CB-CD1 4.47Å
8Q90.4Very high85.5Confident92 Ų9259.3 Ų59.343%0.4330%0.304SS..Hα-helixtrans-62.8-41175.7-74.8171.7-1900111.7I4 T5 I6 Q11 Q12I4-Q8 HydrophobicContact CG2-CB 3.99Å; T5-Q8 PolarHBondContact O-N 3.48Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.3Å; T5-Q8 PolarHBondContact OG1-N 2.98Å; I6-Q8 PolarHBondContact O-N 3.4Å; Q8-Q11 PolarHBondContact O-N 3.24Å; Q8-Q12 WeakPolarHBondContact O-CG 3.44Å; Q8-Q12 PolarHBondContact O-N 3.48Å
9Y92.4Very high85.9Confident1 Ų161.5 Ų61.50%0.00432%0.317CS..Hα-helixtrans-63.8-44.9176.3174-97.3000112T5 I6 N7 Q11 Q12 I13 L28 H35 L41 V62 H65 L66T5-Y9 WeakPolarHBondContact O-CB 3.28Å; T5-Y9 PolarHBondContact O-N 3.16Å; I6-Y9 WeakPolarHBondContact O-CB 3.44Å; I6-Y9 PolarHBondContact O-N 3.49Å; N7-Y9 VanDerWaalsContact C-N 3.32Å; N7-Y9 PolarHBondContact O-N 2.92Å; Y9-Q11 PolarHBondContact O-N 2.77Å; Y9-Q12 PolarHBondContact O-N 2.93Å; Y9-I13 HydrophobicContact CD1-CD1 3.99Å; Y9-I13 HydrophobicContact CE1-CD1 3.3Å; Y9-I13 HydrophobicContact CE1-CG1 4.39Å; Y9-I13 HydrophobicContact CE2-CD1 4.11Å; Y9-I13 PolarHBondContact O-N 3.09Å; Y9-L28 HydrophobicContact CD2-CD2 4.37Å; Y9-L28 HydrophobicContact CE2-CB 4.22Å; Y9-L28 HydrophobicContact CE2-CD2 4.12Å; Y9-L28 PolarHBondContact OH-O 3.3Å; Y9-H35 HydrophobicContact CE2-CB 4.32Å; Y9-L41 HydrophobicContact CD1-CD2 4.22Å; Y9-L41 HydrophobicContact CD2-CD1 3.91Å; Y9-L41 HydrophobicContact CE2-CD1 4.25Å; Y9-L41 HydrophobicContact CG-CD1 4.13Å; Y9-L41 HydrophobicContact CG-CD2 3.98Å; Y9-V62 HydrophobicContact CE1-CG1 4.14Å; Y9-H65 PolarHBondContact OH-CD2 3.38Å; Y9-L66 HydrophobicContact CD1-CD2 4.29Å; Y9-L66 HydrophobicContact CE1-CD2 3.79Å; Y9-L66 HydrophobicContact CE1-CG 4.42Å
10L92.8Very high86.1Confident0 Ų063 Ų630%032%0.322CS..Hα-helixtrans-64.6-39177.5-67.6176.9000112I6 N7 I13 N14 K49 I53 L54 V62 L66I6-L10 HydrophobicContact CG2-CD1 3.71Å; I6-L10 HydrophobicContact CG2-CG 4.08Å; I6-L10 VanDerWaalsContact O-CG 3.26Å; I6-L10 WeakPolarHBondContact O-CG 3.35Å; I6-L10 PolarHBondContact O-N 3.2Å; N7-L10 PolarHBondContact O-N 3.39Å; L10-I13 PolarHBondContact O-N 2.64Å; L10-N14 WeakPolarHBondContact O-CB 3.35Å; L10-N14 PolarHBondContact O-N 3.07Å; L10-K49 HydrophobicContact CD1-CB 4.29Å; L10-I53 HydrophobicContact CB-CB 4.3Å; L10-I53 HydrophobicContact CB-CD1 3.85Å; L10-I53 HydrophobicContact CB-CG2 4Å; L10-I53 HydrophobicContact CD1-CD1 3.87Å; L10-L54 HydrophobicContact CD2-CD1 3.93Å; L10-V62 HydrophobicContact CD2-CG1 3.53Å; L10-L66 HydrophobicContact CD2-CD1 4.47Å
11Q92.9Very high86.4Confident106 Ų10664.1 Ų64.150%0.49533%0.326SS..Hα-helixtrans-63.2-42.3174.2-75.7174.6-19.200112.4N7 Q8 Y9 I13 N14 Q15N7-Q11 WeakPolarHBondContact O-CB 3.46Å; N7-Q11 VanDerWaalsContact O-CG 3.31Å; N7-Q11 WeakPolarHBondContact O-CG 3.35Å; N7-Q11 PolarHBondContact O-N 2.99Å; Q8-Q11 PolarHBondContact O-N 3.24Å; Y9-Q11 PolarHBondContact O-N 2.77Å; Q11-I13 VanDerWaalsContact C-N 3.33Å; Q11-I13 PolarHBondContact O-N 2.71Å; Q11-N14 PolarHBondContact O-N 3.4Å; Q11-Q15 WeakPolarHBondContact O-CB 3.42Å; Q11-Q15 VanDerWaalsContact O-CG 3.32Å; Q11-Q15 WeakPolarHBondContact O-CG 3.38Å; Q11-Q15 PolarHBondContact O-N 3.36Å
12Q93.4Very high88.2Confident60 Ų6058.9 Ų58.928%0.2830%0.302SS..Hα-helixtrans-62.2-40.7175.9-74.6175.8-6.200111.9Q8 Y9 A16 F24 L28Q8-Q12 WeakPolarHBondContact O-CG 3.44Å; Q8-Q12 PolarHBondContact O-N 3.48Å; Y9-Q12 PolarHBondContact O-N 2.93Å; Q12-A16 WeakPolarHBondContact O-CB 3.31Å; Q12-A16 PolarHBondContact O-N 3.44Å; Q12-F24 HydrophobicContact CB-CE1 4.39Å; Q12-L28 HydrophobicContact CB-CD1 3.9Å
13I92.8Very high90.2Very high0 Ų059.1 Ų59.10%030%0.299CS..Hα-helixtrans-65.4-45.3174.7-70178.1000111Y9 L10 Q11 Q15 A16 I17 L28 L29 L54 V62Y9-I13 HydrophobicContact CD1-CD1 3.99Å; Y9-I13 HydrophobicContact CE1-CD1 3.3Å; Y9-I13 HydrophobicContact CE1-CG1 4.39Å; Y9-I13 HydrophobicContact CE2-CD1 4.11Å; Y9-I13 PolarHBondContact O-N 3.09Å; L10-I13 PolarHBondContact O-N 2.64Å; Q11-I13 VanDerWaalsContact C-N 3.33Å; Q11-I13 PolarHBondContact O-N 2.71Å; I13-Q15 VanDerWaalsContact C-N 3.35Å; I13-Q15 PolarHBondContact O-N 3.45Å; I13-A16 PolarHBondContact O-N 2.89Å; I13-A16 VanDerWaalsContact O-N 3.17Å; I13-I17 HydrophobicContact CG2-CD1 3.56Å; I13-I17 HydrophobicContact CG2-CG1 4.26Å; I13-I17 VanDerWaalsContact O-CG1 3.32Å; I13-I17 WeakPolarHBondContact O-CG1 3.01Å; I13-I17 PolarHBondContact O-N 3.44Å; I13-L28 HydrophobicContact CD1-CB 4.34Å; I13-L28 HydrophobicContact CG1-CB 3.98Å; I13-L28 HydrophobicContact CG1-CD1 3.72Å; I13-L28 HydrophobicContact CG1-CG 4.5Å; I13-L29 HydrophobicContact CD1-CD2 4.36Å; I13-L54 HydrophobicContact CG2-CD2 4.19Å; I13-V62 HydrophobicContact CD1-CG1 3.86Å; I13-V62 HydrophobicContact CD1-CG2 4.06Å; I13-V62 HydrophobicContact CG2-CG2 3.96Å
14N93.3Very high91.6Very high32 Ų3255.7 Ų55.717%0.17128%0.282CS..Hα-helixtrans-59.5-47.5-179.8-165.258.8000111.1L10 Q11 A16 I17 E18 I53 L54L10-N14 WeakPolarHBondContact O-CB 3.35Å; L10-N14 PolarHBondContact O-N 3.07Å; Q11-N14 PolarHBondContact O-N 3.4Å; N14-A16 VanDerWaalsContact C-N 3.32Å; N14-A16 PolarHBondContact O-N 3.39Å; N14-I17 PolarHBondContact O-N 3.26Å; N14-I17 VanDerWaalsContact O-N 3.13Å; N14-E18 VanDerWaalsContact ND2-CD 3.3Å; N14-E18 PolarHBondContact ND2-OE1 3.14Å; N14-E18 WeakPolarHBondContact O-CB 3.39Å; N14-E18 WeakPolarHBondContact O-CG 3.03Å; N14-E18 PolarHBondContact O-N 3.11Å; N14-I53 HydrophobicContact CB-CG2 4.49Å; N14-L54 HydrophobicContact CB-CD2 3.7Å
15Q93.8Very high92Very high110 Ų11054.3 Ų54.351%0.51428%0.275SS..Hα-helixtrans-59.3-42.3174.9-72.9174.9-1100112.1Q11 I13 I17 E18 N19Q11-Q15 WeakPolarHBondContact O-CB 3.42Å; Q11-Q15 VanDerWaalsContact O-CG 3.32Å; Q11-Q15 WeakPolarHBondContact O-CG 3.38Å; Q11-Q15 PolarHBondContact O-N 3.36Å; I13-Q15 VanDerWaalsContact C-N 3.35Å; I13-Q15 PolarHBondContact O-N 3.45Å; Q15-I17 VanDerWaalsContact C-N 3.28Å; Q15-I17 PolarHBondContact O-N 3.02Å; Q15-E18 PolarHBondContact O-N 3.38Å; Q15-N19 VanDerWaalsContact O-CB 3.25Å; Q15-N19 WeakPolarHBondContact O-CB 3.49Å; Q15-N19 VanDerWaalsContact O-CG 3.27Å; Q15-N19 PolarHBondContact O-N 3.32Å; Q15-N19 PolarHBondContact O-ND2 3.09Å
16A93.9Very high92.3Very high1 Ų152.1 Ų52.11%0.00826%0.263CS..Hα-helixtrans-64.8-33.1177.800000112.6Q12 I13 N14 H20 E21 F24 C25Q12-A16 WeakPolarHBondContact O-CB 3.31Å; Q12-A16 PolarHBondContact O-N 3.44Å; I13-A16 PolarHBondContact O-N 2.89Å; I13-A16 VanDerWaalsContact O-N 3.17Å; N14-A16 VanDerWaalsContact C-N 3.32Å; N14-A16 PolarHBondContact O-N 3.39Å; A16-H20 PolarHBondContact O-N 3Å; A16-E21 HydrophobicContact CB-CB 4.38Å; A16-E21 PolarHBondContact O-N 2.79Å; A16-F24 HydrophobicContact CB-CD1 3.77Å; A16-F24 HydrophobicContact CB-CE1 4.4Å; A16-C25 HydrophobicContact CB-CB 3.9Å
17I91.9Very high92.6Very high16 Ų1656.3 Ų56.38%0.08228%0.282CS..Hα-helixtrans-74.2-48.1176.2-67.7165000110.4I13 N14 Q15 N19 H20 L54 Y58 W104I13-I17 HydrophobicContact CG2-CD1 3.56Å; I13-I17 HydrophobicContact CG2-CG1 4.26Å; I13-I17 VanDerWaalsContact O-CG1 3.32Å; I13-I17 WeakPolarHBondContact O-CG1 3.01Å; I13-I17 PolarHBondContact O-N 3.44Å; N14-I17 PolarHBondContact O-N 3.26Å; N14-I17 VanDerWaalsContact O-N 3.13Å; Q15-I17 VanDerWaalsContact C-N 3.28Å; Q15-I17 PolarHBondContact O-N 3.02Å; I17-N19 VanDerWaalsContact C-N 3.31Å; I17-N19 PolarHBondContact O-N 2.73Å; I17-H20 PolarHBondContact O-N 2.84Å; I17-H20 VanDerWaalsContact O-N 3.14Å; I17-L54 HydrophobicContact CD1-CD2 4.44Å; I17-Y58 HydrophobicContact CD1-CD1 3.63Å; I17-Y58 HydrophobicContact CD1-CD2 4.21Å; I17-Y58 HydrophobicContact CD1-CE1 4.14Å; I17-Y58 HydrophobicContact CD1-CG 3.65Å; I17-Y58 HydrophobicContact CG1-CD1 4.38Å; I17-Y58 HydrophobicContact CG1-CE1 4.4Å; I17-Y58 HydrophobicContact CG2-CD2 4Å; I17-Y58 HydrophobicContact CG2-CE1 4.42Å; I17-Y58 HydrophobicContact CG2-CE2 3.69Å; I17-Y58 HydrophobicContact CG2-CG 4.48Å; I17-W104 HydrophobicContact CG1-CH2 4.49Å; I17-W104 HydrophobicContact CG2-CH2 4.3Å
18E91.8Very high92.7Very high122 Ų12252.5 Ų52.557%0.5726%0.262SS*.Hα-helixtrans-61.4-38.1179.2-73.7175.4174.600112.2N14 Q15 H20N14-E18 VanDerWaalsContact ND2-CD 3.3Å; N14-E18 PolarHBondContact ND2-OE1 3.14Å; N14-E18 WeakPolarHBondContact O-CB 3.39Å; N14-E18 WeakPolarHBondContact O-CG 3.03Å; N14-E18 PolarHBondContact O-N 3.11Å; Q15-E18 PolarHBondContact O-N 3.38Å; E18-H20 VanDerWaalsContact C-N 3.31Å
19N92.9Very high92.8Very high102 Ų10248.1 Ų48.155%0.54524%0.241SC..THydrogen-bonded Turntrans-86.21.7178.7-65.3-16.8000113.6Q15 I17 E21Q15-N19 VanDerWaalsContact O-CB 3.25Å; Q15-N19 WeakPolarHBondContact O-CB 3.49Å; Q15-N19 VanDerWaalsContact O-CG 3.27Å; Q15-N19 PolarHBondContact O-N 3.32Å; Q15-N19 PolarHBondContact O-ND2 3.09Å; I17-N19 VanDerWaalsContact C-N 3.31Å; I17-N19 PolarHBondContact O-N 2.73Å; N19-E21 HydrophobicContact CB-CG 3.88Å; N19-E21 PolarHBondContact ND2-OE1 3.25Å; N19-E21 PolarHBondContact O-N 2.97Å
20H90.8Very high92.9Very high90 Ų9048.7 Ų48.742%0.41725%0.245SC..THydrogen-bonded Turntrans55.233.2-174.5-60.2-82.2000114A16 I17 E18 G22 E102 W104A16-H20 PolarHBondContact O-N 3Å; I17-H20 PolarHBondContact O-N 2.84Å; I17-H20 VanDerWaalsContact O-N 3.14Å; E18-H20 VanDerWaalsContact C-N 3.31Å; H20-G22 VanDerWaalsContact C-N 3.31Å; H20-G22 PolarHBondContact O-N 2.63Å; H20-E102 IonicContact CE1-OE2 3.09Å; H20-E102 IonicContact ND1-OE2 2.59Å; H20-W104 HydrophobicContact CB-CB 4.03Å; H20-W104 HydrophobicContact CB-CD2 4.15Å; H20-W104 HydrophobicContact CB-CG 3.83Å; H20-W104 AromaticContact CE1-NE1 3.67Å; H20-W104 AromaticContact CG-CD1 3.95Å; H20-W104 AromaticContact ND1-CD1 3.15Å; H20-W104 AromaticContact ND1-CD2 3.77Å; H20-W104 AromaticContact ND1-CE2 3.36Å; H20-W104 AromaticContact ND1-CG 3.67Å; H20-W104 AromaticContact ND1-NE1 2.97Å; H20-W104 PolarHBondContact ND1-NE1 3.09Å; H20-W104 WeakPolarHBondContact O-CB 3.31Å
21E92.4Very high92.8Very high88 Ų8850.3 Ų50.341%0.41125%0.252SS..  trans-81.872.3178.7-69.5-179.4-159.900111.6A16 N19 S23 F24 C25A16-E21 HydrophobicContact CB-CB 4.38Å; A16-E21 PolarHBondContact O-N 2.79Å; N19-E21 HydrophobicContact CB-CG 3.88Å; N19-E21 PolarHBondContact ND2-OE1 3.25Å; N19-E21 PolarHBondContact O-N 2.97Å; E21-S23 PolarHBondContact O-N 3.14Å; E21-F24 HydrophobicContact CB-CB 4.25Å; E21-F24 PolarHBondContact O-N 2.85Å; E21-C25 WeakPolarHBondContact O-CB 3.32Å; E21-C25 PolarHBondContact O-N 2.92Å
22G91.4Very high92.7Very high6 Ų652.9 Ų52.96%0.06226%0.262CS..Hα-helixtrans-50.9-45.9-176.100000116H20 A26 W104H20-G22 VanDerWaalsContact C-N 3.31Å; H20-G22 PolarHBondContact O-N 2.63Å; G22-A26 VanDerWaalsContact O-CB 3.24Å; G22-A26 WeakPolarHBondContact O-CB 3.25Å; G22-A26 PolarHBondContact O-N 3.3Å; G22-W104 WeakPolarHBondContact CA-O 3.48Å
23S93.4Very high92.5Very high83 Ų8351.3 Ų51.358%0.5825%0.254SS*.Hα-helixtrans-66.6-44.3-178.4-67.80000112.4E21 A26 E27E21-S23 PolarHBondContact O-N 3.14Å; S23-A26 WeakPolarHBondContact O-CB 3.47Å; S23-A26 PolarHBondContact O-N 2.85Å; S23-E27 PolarHBondContact O-N 3.32Å
24F93.8Very high92.2Very high74 Ų7455.2 Ų55.233%0.32528%0.28SS..Hα-helixtrans-68.2-42.9179.4-177.2-123.4000111.1Q12 A16 E21 A26 E27 L28Q12-F24 HydrophobicContact CB-CE1 4.39Å; A16-F24 HydrophobicContact CB-CD1 3.77Å; A16-F24 HydrophobicContact CB-CE1 4.4Å; E21-F24 HydrophobicContact CB-CB 4.25Å; E21-F24 PolarHBondContact O-N 2.85Å; F24-A26 VanDerWaalsContact C-N 3.29Å; F24-A26 PolarHBondContact O-N 2.8Å; F24-E27 PolarHBondContact O-N 3.24Å; F24-L28 HydrophobicContact CD1-CD1 4.32Å; F24-L28 HydrophobicContact CE1-CD1 3.8Å; F24-L28 HydrophobicContact CE2-CD1 4.38Å; F24-L28 HydrophobicContact CE2-CG 4.38Å; F24-L28 HydrophobicContact CZ-CD1 3.84Å; F24-L28 HydrophobicContact CZ-CD2 4.49Å; F24-L28 HydrophobicContact CZ-CG 4.31Å; F24-L28 PolarHBondContact O-N 3.34Å; F24-L28 VanDerWaalsContact O-N 3.09Å
25C93.6Very high92Very high1 Ų154 Ų541%0.00727%0.273CS..Hα-helixtrans-58.6-41.4172.8-171.90000111.8A16 E21 E27 L28 L29 V108A16-C25 HydrophobicContact CB-CB 3.9Å; E21-C25 WeakPolarHBondContact O-CB 3.32Å; E21-C25 PolarHBondContact O-N 2.92Å; C25-E27 PolarHBondContact O-N 3.11Å; C25-L28 PolarHBondContact O-N 2.77Å; C25-L29 WeakPolarHBondContact O-CG 3.34Å; C25-L29 PolarHBondContact O-N 2.99Å; C25-V108 HydrophobicContact CB-CG2 3.87Å
26A93.9Very high91.7Very high10 Ų1049.7 Ų49.78%0.08326%0.255CS..Hα-helixtrans-64.6-36.6177.200000113G22 S23 F24 L29 S30 P107 V108 A111G22-A26 VanDerWaalsContact O-CB 3.24Å; G22-A26 WeakPolarHBondContact O-CB 3.25Å; G22-A26 PolarHBondContact O-N 3.3Å; S23-A26 WeakPolarHBondContact O-CB 3.47Å; S23-A26 PolarHBondContact O-N 2.85Å; F24-A26 VanDerWaalsContact C-N 3.29Å; F24-A26 PolarHBondContact O-N 2.8Å; A26-L29 CarbonylContact O-C 3.47Å; A26-L29 PolarHBondContact O-N 3.3Å; A26-S30 WeakPolarHBondContact O-CB 3.17Å; A26-S30 PolarHBondContact O-N 3.09Å; A26-P107 VanDerWaalsContact CB-C 3.43Å; A26-P107 HydrophobicContact CB-CB 3.82Å; A26-P107 WeakPolarHBondContact CB-O 3.48Å; A26-V108 HydrophobicContact CB-CG2 4.18Å; A26-A111 HydrophobicContact CB-CB 4.18Å
27E93.4Very high91.4Very high105 Ų10553.3 Ų53.349%0.49128%0.284SS..Hα-helixtrans-64.7-45174.4-74.1-178178.500111.5S23 F24 C25 L29 S30 H33S23-E27 PolarHBondContact O-N 3.32Å; F24-E27 PolarHBondContact O-N 3.24Å; C25-E27 PolarHBondContact O-N 3.11Å; E27-L29 PolarHBondContact O-N 3.42Å; E27-S30 PolarHBondContact O-N 3.43Å; E27-H33 WeakPolarHBondContact O-CB 3.48Å
28L92.4Very high91.3Very high4 Ų453 Ų532%0.02128%0.282CS..Hα-helixtrans-65.2-26176.7-65.1178.4000112.5Y9 Q12 I13 F24 C25 H35Y9-L28 HydrophobicContact CD2-CD2 4.37Å; Y9-L28 HydrophobicContact CE2-CB 4.22Å; Y9-L28 HydrophobicContact CE2-CD2 4.12Å; Y9-L28 PolarHBondContact OH-O 3.3Å; Q12-L28 HydrophobicContact CB-CD1 3.9Å; I13-L28 HydrophobicContact CD1-CB 4.34Å; I13-L28 HydrophobicContact CG1-CB 3.98Å; I13-L28 HydrophobicContact CG1-CD1 3.72Å; I13-L28 HydrophobicContact CG1-CG 4.5Å; F24-L28 HydrophobicContact CD1-CD1 4.32Å; F24-L28 HydrophobicContact CE1-CD1 3.8Å; F24-L28 HydrophobicContact CE2-CD1 4.38Å; F24-L28 HydrophobicContact CE2-CG 4.38Å; F24-L28 HydrophobicContact CZ-CD1 3.84Å; F24-L28 HydrophobicContact CZ-CD2 4.49Å; F24-L28 HydrophobicContact CZ-CG 4.31Å; F24-L28 PolarHBondContact O-N 3.34Å; F24-L28 VanDerWaalsContact O-N 3.09Å; C25-L28 PolarHBondContact O-N 2.77Å; L28-H35 PolarHBondContact O-CE1 3.21Å; L28-H35 PolarHBondContact O-ND1 3.41Å; L28-H35 PolarHBondContact O-NE2 2.94Å
29L92.6Very high91Very high0 Ų051.7 Ų51.70%029%0.285CS..THydrogen-bonded Turntrans-98.6-0.1177.1-65.9168.1000114.1I13 C25 A26 E27 M61 V62 H65 V108I13-L29 HydrophobicContact CD1-CD2 4.36Å; C25-L29 WeakPolarHBondContact O-CG 3.34Å; C25-L29 PolarHBondContact O-N 2.99Å; A26-L29 CarbonylContact O-C 3.47Å; A26-L29 PolarHBondContact O-N 3.3Å; E27-L29 PolarHBondContact O-N 3.42Å; L29-M61 HydrophobicContact CD1-CE 3.42Å; L29-M61 VanDerWaalsContact CD1-CE 3.42Å; L29-M61 HydrophobicContact CD2-CE 4.27Å; L29-V62 HydrophobicContact CD2-CG2 4.28Å; L29-H65 HydrophobicContact CD2-CB 4.24Å; L29-H65 PolarHBondContact O-CE1 3.14Å; L29-V108 HydrophobicContact CD1-CG1 3.73Å
30S93.1Very high90.7Very high13 Ų1353.2 Ų53.29%0.09128%0.283CS..  trans-92.6137.6-178.2-177.40000112.3A26 E27 K32 H33 H35A26-S30 WeakPolarHBondContact O-CB 3.17Å; A26-S30 PolarHBondContact O-N 3.09Å; E27-S30 PolarHBondContact O-N 3.43Å; S30-K32 PolarHBondContact O-N 3.1Å; S30-K32 VanDerWaalsContact O-N 3.08Å; S30-K32 PolarHBondContact OG-N 3.38Å; S30-H33 WeakPolarHBondContact O-CB 3.05Å; S30-H33 PolarHBondContact O-N 3.45Å; S30-H33 VanDerWaalsContact O-N 3.12Å; S30-H35 PolarHBondContact O-CE1 3.23Å
31F91.9Very high90.4Very high33 Ų3349 Ų4915%0.14526%0.264CS..THydrogen-bonded Turntrans-70.2-2.5173.4-83.7-93.5000115.4V36 H65 C68 T69 V72 D115 F119F31-V36 HydrophobicContact CB-CG2 4.47Å; F31-V36 HydrophobicContact CD1-CB 4.47Å; F31-V36 HydrophobicContact CD1-CG1 3.78Å; F31-V36 HydrophobicContact CD1-CG2 3.78Å; F31-V36 HydrophobicContact CE1-CG1 3.96Å; F31-V36 HydrophobicContact CE1-CG2 4.25Å; F31-V36 HydrophobicContact CG-CG2 4.24Å; F31-H65 AromaticContact CD2-CE1 3.93Å; F31-H65 AromaticContact CE2-CE1 3.5Å; F31-H65 VanDerWaalsContact CE2-CE1 3.5Å; F31-H65 WeakPolarHBondContact CE2-CE1 3.44Å; F31-H65 AromaticContact CE2-ND1 3.54Å; F31-C68 HydrophobicContact CE2-CB 4.29Å; F31-C68 HydrophobicContact CZ-CB 3.71Å; F31-C68 WeakPolarHBondContact CZ-SG 3.47Å; F31-T69 HydrophobicContact CE1-CG2 3.93Å; F31-T69 HydrophobicContact CZ-CG2 3.91Å; F31-V72 HydrophobicContact CD1-CG2 4.31Å; F31-V72 HydrophobicContact CE1-CB 4.23Å; F31-V72 HydrophobicContact CE1-CG2 3.72Å; F31-V72 HydrophobicContact CZ-CG2 4.44Å; F31-D115 HydrophobicContact CD2-CB 4.17Å; F31-D115 PolarHBondContact N-OD2 2.97Å; F31-F119 HydrophobicContact CB-CZ 4.28Å; F31-F119 HydrophobicContact CD1-CE2 4.22Å; F31-F119 AromaticContact CD1-CZ 3.54Å; F31-F119 HydrophobicContact CD1-CZ 3.54Å; F31-F119 AromaticContact CD2-CE2 3.6Å; F31-F119 HydrophobicContact CD2-CE2 3.6Å; F31-F119 AromaticContact CD2-CZ 3.78Å; F31-F119 HydrophobicContact CD2-CZ 3.78Å; F31-F119 HydrophobicContact CE1-CE2 4.23Å; F31-F119 AromaticContact CE1-CZ 3.68Å; F31-F119 HydrophobicContact CE1-CZ 3.68Å; F31-F119 AromaticContact CE2-CE2 3.63Å; F31-F119 HydrophobicContact CE2-CE2 3.63Å; F31-F119 AromaticContact CE2-CZ 3.93Å; F31-F119 HydrophobicContact CE2-CZ 3.93Å; F31-F119 AromaticContact CG-CE2 3.9Å; F31-F119 HydrophobicContact CG-CE2 3.9Å; F31-F119 AromaticContact CG-CZ 3.57Å; F31-F119 HydrophobicContact CG-CZ 3.57Å; F31-F119 AromaticContact CZ-CE2 3.96Å; F31-F119 HydrophobicContact CZ-CE2 3.96Å; F31-F119 AromaticContact CZ-CZ 3.89Å; F31-F119 HydrophobicContact CZ-CZ 3.89Å
32K89.4Confident90.2Very high160 Ų16047.1 Ų47.170%0.69626%0.255SS*.THydrogen-bonded Turntrans-84.8-16.3172.2-65.6-179.2-179.3175.30113.3S30S30-K32 PolarHBondContact O-N 3.1Å; S30-K32 VanDerWaalsContact O-N 3.08Å; S30-K32 PolarHBondContact OG-N 3.38Å
33H89.8Confident89.8Confident27 Ų2748.1 Ų48.113%0.12526%0.261CS..SBendtrans-83.3146.8-174.5-176.5-88.5000111.1M1 E27 S30 H35 V36M1-H33 WeakPolarHBondContact CE-CE1 3.34Å; M1-H33 WeakPolarHBondContact CE-NE2 3.32Å; M1-H33 PolarHBondContact SD-CE1 3.22Å; E27-H33 WeakPolarHBondContact O-CB 3.48Å; S30-H33 WeakPolarHBondContact O-CB 3.05Å; S30-H33 PolarHBondContact O-N 3.45Å; S30-H33 VanDerWaalsContact O-N 3.12Å; H33-H35 WeakPolarHBondContact CB-ND1 3.39Å; H33-H35 AromaticContact CE1-ND1 3.94Å; H33-H35 AromaticContact CG-ND1 3.42Å; H33-H35 WeakPolarHBondContact ND1-CB 3.34Å; H33-H35 AromaticContact ND1-CG 3.47Å; H33-H35 PolarHBondContact ND1-N 3.27Å; H33-H35 AromaticContact ND1-ND1 2.9Å; H33-H35 PolarHBondContact ND1-ND1 3.08Å; H33-H35 PolarHBondContact O-N 2.96Å; H33-V36 PolarHBondContact O-N 3.47Å
34P87.3Confident89.1Confident82 Ų8249.2 Ų49.253%0.53226%0.257SS..G310 helixtrans-62.2-14.3-175.6-23.633.6000115.4M1 V36 A37M1-P34 HydrophobicContact CE-CG 4.44Å; M1-P34 HydrophobicContact SD-CB 3.78Å; M1-P34 HydrophobicContact SD-CG 3.92Å; P34-V36 PolarHBondContact O-N 2.89Å; P34-A37 PolarHBondContact O-N 3.31Å; P34-A37 VanDerWaalsContact O-N 3.17Å
35H88.6Confident88.4Confident6 Ų650.1 Ų50.13%0.02827%0.268CS..G310 helixtrans-59-30.8179.777-98.2000112.3Y9 L28 S30 H33 A37 N38 L41 H65Y9-H35 HydrophobicContact CE2-CB 4.32Å; L28-H35 PolarHBondContact O-CE1 3.21Å; L28-H35 PolarHBondContact O-ND1 3.41Å; L28-H35 PolarHBondContact O-NE2 2.94Å; S30-H35 PolarHBondContact O-CE1 3.23Å; H33-H35 WeakPolarHBondContact CB-ND1 3.39Å; H33-H35 AromaticContact CE1-ND1 3.94Å; H33-H35 AromaticContact CG-ND1 3.42Å; H33-H35 WeakPolarHBondContact ND1-CB 3.34Å; H33-H35 AromaticContact ND1-CG 3.47Å; H33-H35 PolarHBondContact ND1-N 3.27Å; H33-H35 AromaticContact ND1-ND1 2.9Å; H33-H35 PolarHBondContact ND1-ND1 3.08Å; H33-H35 PolarHBondContact O-N 2.96Å; H35-A37 PolarHBondContact O-N 2.95Å; H35-N38 VanDerWaalsContact O-CB 3.3Å; H35-N38 WeakPolarHBondContact O-CB 3.42Å; H35-N38 PolarHBondContact O-N 2.79Å; H35-L41 HydrophobicContact CB-CD1 3.89Å; H35-H65 AromaticContact CE1-NE2 3.74Å; H35-H65 AromaticContact NE2-CE1 3.79Å; H35-H65 AromaticContact NE2-NE2 2.98Å; H35-H65 PolarHBondContact NE2-NE2 3.49Å
36V88.4Confident87.7Confident21 Ų2150.1 Ų50.113%0.12727%0.268CS..G310 helixtrans-60.3-30.4179.9179.20000112.3F31 H33 P34 N38 Q42 T69F31-V36 HydrophobicContact CB-CG2 4.47Å; F31-V36 HydrophobicContact CD1-CB 4.47Å; F31-V36 HydrophobicContact CD1-CG1 3.78Å; F31-V36 HydrophobicContact CD1-CG2 3.78Å; F31-V36 HydrophobicContact CE1-CG1 3.96Å; F31-V36 HydrophobicContact CE1-CG2 4.25Å; F31-V36 HydrophobicContact CG-CG2 4.24Å; H33-V36 PolarHBondContact O-N 3.47Å; P34-V36 PolarHBondContact O-N 2.89Å; V36-N38 VanDerWaalsContact C-N 3.28Å; V36-N38 PolarHBondContact O-N 3.43Å; V36-Q42 PolarHBondContact O-NE2 3.28Å; V36-T69 HydrophobicContact CG1-CG2 4.33Å; V36-T69 HydrophobicContact CG2-CG2 4.27Å
37A87.5Confident87.3Confident76 Ų7654.6 Ų54.663%0.62828%0.283SS*.G310 helixtrans-80.5-6.6179.700000113.4P34 H35 P39P34-A37 PolarHBondContact O-N 3.31Å; P34-A37 VanDerWaalsContact O-N 3.17Å; H35-A37 PolarHBondContact O-N 2.95Å; A37-P39 VanDerWaalsContact O-CD 3.26Å; A37-P39 WeakPolarHBondContact O-CD 3.5Å
38N88.6Confident86.9Confident9 Ų955.7 Ų55.75%0.04829%0.288CS..  trans-79.5114.4-178.5-176.7-9000110.6I4 H35 V36 R40 L41 Q42I4-N38 PolarHBondContact O-ND2 2.99Å; H35-N38 VanDerWaalsContact O-CB 3.3Å; H35-N38 WeakPolarHBondContact O-CB 3.42Å; H35-N38 PolarHBondContact O-N 2.79Å; V36-N38 VanDerWaalsContact C-N 3.28Å; V36-N38 PolarHBondContact O-N 3.43Å; N38-R40 PolarHBondContact O-N 3.39Å; N38-R40 VanDerWaalsContact O-N 3.1Å; N38-R40 WeakPolarHBondContact OD1-CB 3.5Å; N38-R40 PolarHBondContact OD1-N 2.88Å; N38-L41 HydrophobicContact CB-CB 4.45Å; N38-L41 HydrophobicContact CB-CD1 4.12Å; N38-L41 HydrophobicContact CB-CG 4.11Å; N38-L41 PolarHBondContact O-N 3.27Å; N38-Q42 PolarHBondContact O-N 3.15Å
39P86.1Confident86.6Confident96 Ų9660 Ų6062%0.62331%0.306SS*.THydrogen-bonded Turntrans-60.8-25.6-178.8-22.934.7000113.4A37 L41 Q42A37-P39 VanDerWaalsContact O-CD 3.26Å; A37-P39 WeakPolarHBondContact O-CD 3.5Å; P39-L41 VanDerWaalsContact C-N 3.26Å; P39-L41 PolarHBondContact O-N 2.9Å; P39-Q42 PolarHBondContact O-N 3.31Å
40R85.8Confident86.5Confident133 Ų13360 Ų6050%0.50231%0.306SS..THydrogen-bonded Turntrans-69.3-24.8177.9-62179.3176.5177-3.5112.6H3 I6 N38H3-R40 PolarHBondContact O-NH1 2.96Å; I6-R40 WeakPolarHBondContact CD1-O 3.46Å; I6-R40 WeakPolarHBondContact CG1-O 3.31Å; N38-R40 PolarHBondContact O-N 3.39Å; N38-R40 VanDerWaalsContact O-N 3.1Å; N38-R40 WeakPolarHBondContact OD1-CB 3.5Å; N38-R40 PolarHBondContact OD1-N 2.88Å
41L85.6Confident86.4Confident2 Ų264 Ų641%0.0132%0.324CS..THydrogen-bonded Turntrans-91.5-18178.7-59.1-178000112.1I6 Y9 H35 N38 P39 S43 L66 T69I6-L41 HydrophobicContact CB-CD2 4.45Å; I6-L41 HydrophobicContact CG1-CD2 3.97Å; Y9-L41 HydrophobicContact CD1-CD2 4.22Å; Y9-L41 HydrophobicContact CD2-CD1 3.91Å; Y9-L41 HydrophobicContact CE2-CD1 4.25Å; Y9-L41 HydrophobicContact CG-CD1 4.13Å; Y9-L41 HydrophobicContact CG-CD2 3.98Å; H35-L41 HydrophobicContact CB-CD1 3.89Å; N38-L41 HydrophobicContact CB-CB 4.45Å; N38-L41 HydrophobicContact CB-CD1 4.12Å; N38-L41 HydrophobicContact CB-CG 4.11Å; N38-L41 PolarHBondContact O-N 3.27Å; P39-L41 VanDerWaalsContact C-N 3.26Å; P39-L41 PolarHBondContact O-N 2.9Å; L41-S43 VanDerWaalsContact C-N 3.28Å; L41-S43 PolarHBondContact O-N 3.46Å; L41-L66 HydrophobicContact CB-CD2 3.99Å; L41-L66 WeakPolarHBondContact O-CD2 3.5Å; L41-T69 PolarHBondContact O-OG1 3.17Å
42Q88.2Confident86.3Confident49 Ų4969.9 Ų69.923%0.22935%0.352CS..  trans-75.976.3175.9-64.8167.1500110.2V36 N38 P39 Y70 A73V36-Q42 PolarHBondContact O-NE2 3.28Å; N38-Q42 PolarHBondContact O-N 3.15Å; P39-Q42 PolarHBondContact O-N 3.31Å; Q42-Y70 HydrophobicContact CB-CD2 4.33Å; Q42-Y70 WeakPolarHBondContact O-CD2 3.29Å; Q42-A73 VanDerWaalsContact CD-CB 3.45Å; Q42-A73 HydrophobicContact CG-CB 4.14Å
43S82.8Confident86.4Confident27 Ų2764.6 Ų64.619%0.18933%0.331CS..  trans-120.4129.5-174.7-170.80000112.8L41 V45L41-S43 VanDerWaalsContact C-N 3.28Å; L41-S43 PolarHBondContact O-N 3.46Å; S43-V45 PolarHBondContact OG-N 3.46Å
44Q78.9Confident86.4Confident105 Ų10563.6 Ų63.649%0.49133%0.326SS..THydrogen-bonded Turntrans-72.4-32.3171.4-69.8-171.9-32.100112.7A46 R67 Y70Q44-A46 PolarHBondContact O-N 3.3Å; Q44-R67 PolarHBondContact O-NE 2.9Å; Q44-Y70 VanDerWaalsContact CD-CE1 3.4Å; Q44-Y70 HydrophobicContact CG-CD1 3.45Å; Q44-Y70 VanDerWaalsContact CG-CD1 3.45Å; Q44-Y70 HydrophobicContact CG-CD2 4.07Å; Q44-Y70 HydrophobicContact CG-CE1 3.35Å; Q44-Y70 HydrophobicContact CG-CE2 3.95Å; Q44-Y70 HydrophobicContact CG-CG 3.82Å; Q44-Y70 PolarHBondContact NE2-OH 2.9Å
45V78.8Confident86.5Confident94 Ų9467 Ų6757%0.5734%0.335SS*.THydrogen-bonded Turntrans-101.439.6-173.6-159.60000111.2S43 R47S43-V45 PolarHBondContact OG-N 3.46Å; V45-R47 VanDerWaalsContact C-N 3.29Å; V45-R47 PolarHBondContact O-N 3.27Å
46A79.6Confident86.5Confident0 Ų071.5 Ų71.50%037%0.365CS..Hα-helixtrans-72.7-17.6-176.600000114.3Q44 K49 C50 L66Q44-A46 PolarHBondContact O-N 3.3Å; A46-K49 PolarHBondContact O-N 3.01Å; A46-C50 PolarHBondContact O-N 3.23Å; A46-C50 PolarHBondContact O-SG 3.31Å; A46-L66 HydrophobicContact CB-CB 3.75Å; A46-L66 HydrophobicContact CB-CD1 3.76Å; A46-L66 HydrophobicContact CB-CG 4.41Å
47R84Confident86.7Confident105 Ų10571.4 Ų71.440%0.39637%0.365SS..Hα-helixtrans-61.8-52-167.9-169.2178-167.2158.69.5113.5V45 K49 C50 Q51 E60 A63V45-R47 VanDerWaalsContact C-N 3.29Å; V45-R47 PolarHBondContact O-N 3.27Å; R47-K49 VanDerWaalsContact C-N 3.31Å; R47-K49 PolarHBondContact O-N 2.88Å; R47-C50 PolarHBondContact O-N 2.89Å; R47-Q51 WeakPolarHBondContact O-CG 3.41Å; R47-Q51 PolarHBondContact O-N 3.2Å; R47-E60 IonicContact CZ-OE1 3.74Å; R47-E60 IonicContact NH2-OE1 2.81Å; R47-E60 PolarHBondContact NH2-OE1 3.44Å; R47-A63 HydrophobicContact CB-CB 4.32Å
48E85.9Confident86.8Confident128 Ų12869.2 Ų69.260%0.59834%0.34SS*.Hα-helixtrans-61.4-41.3-176.5-66.2171.3-175.100111.7Q51 Q52E48-Q51 PolarHBondContact O-N 3.49Å; E48-Q52 WeakPolarHBondContact O-CG 3.4Å; E48-Q52 PolarHBondContact O-N 3.01Å
49K87.1Confident87Confident93 Ų9369.1 Ų69.140%0.40434%0.34SS..Hα-helixtrans-67.7-36.7177.6-65.9-176.7-179.71790112.6I6 L10 A46 R47 Q52I6-K49 HydrophobicContact CD1-CD 4.38Å; I6-K49 HydrophobicContact CG2-CD 4.27Å; L10-K49 HydrophobicContact CD1-CB 4.29Å; A46-K49 PolarHBondContact O-N 3.01Å; R47-K49 VanDerWaalsContact C-N 3.31Å; R47-K49 PolarHBondContact O-N 2.88Å; K49-Q52 PolarHBondContact O-N 3.37Å
50C89.4Confident87.2Confident0 Ų067.5 Ų67.50%032%0.324CS..Hα-helixtrans-66.8-42.1175.8-64.50000110.9A46 R47 Q52 I53 L54 D59 A63A46-C50 PolarHBondContact O-N 3.23Å; A46-C50 PolarHBondContact O-SG 3.31Å; R47-C50 PolarHBondContact O-N 2.89Å; C50-Q52 PolarHBondContact O-N 2.92Å; C50-I53 PolarHBondContact O-N 3.49Å; C50-I53 VanDerWaalsContact O-N 3.13Å; C50-L54 HydrophobicContact CB-CD1 4.5Å; C50-L54 WeakPolarHBondContact O-CB 3.49Å; C50-L54 PolarHBondContact O-N 3.29Å; C50-D59 HydrophobicContact CB-CB 4.5Å; C50-D59 WeakPolarHBondContact CB-O 3.45Å; C50-A63 HydrophobicContact CB-CB 4.14Å
51Q90.2Very high87.6Confident97 Ų9761.2 Ų61.245%0.45330%0.3SS..Hα-helixtrans-64.2-24.4179-76178.4-20.700114.1R47 E48 I53 D59R47-Q51 WeakPolarHBondContact O-CG 3.41Å; R47-Q51 PolarHBondContact O-N 3.2Å; E48-Q51 PolarHBondContact O-N 3.49Å; Q51-I53 VanDerWaalsContact C-N 3.34Å; Q51-D59 HydrophobicContact CG-CB 4.22Å; Q51-D59 VanDerWaalsContact CG-OD2 3.31Å; Q51-D59 WeakPolarHBondContact CG-OD2 3.37Å
52Q90Very high87.9Confident158 Ų15861.1 Ų61.174%0.73830%0.3SS*.THydrogen-bonded Turntrans-76.8-20.4176.5-72.9173.22.600113.5E48 K49 C50E48-Q52 WeakPolarHBondContact O-CG 3.4Å; E48-Q52 PolarHBondContact O-N 3.01Å; K49-Q52 PolarHBondContact O-N 3.37Å; C50-Q52 PolarHBondContact O-N 2.92Å
53I91.1Very high88.2Confident49 Ų4958.9 Ų58.925%0.25129%0.29SS..THydrogen-bonded Turntrans-120.6-35.3-170.1-60.2178.8000112.2N7 L10 N14 C50 Q51N7-I53 HydrophobicContact CB-CD1 4.47Å; L10-I53 HydrophobicContact CB-CB 4.3Å; L10-I53 HydrophobicContact CB-CD1 3.85Å; L10-I53 HydrophobicContact CB-CG2 4Å; L10-I53 HydrophobicContact CD1-CD1 3.87Å; N14-I53 HydrophobicContact CB-CG2 4.49Å; C50-I53 PolarHBondContact O-N 3.49Å; C50-I53 VanDerWaalsContact O-N 3.13Å; Q51-I53 VanDerWaalsContact C-N 3.34Å
54L91.4Very high88.7Confident5 Ų557.9 Ų57.93%0.02628%0.283CS..SBendtrans-109.2144.3-175.2-62.7169.5000110.5L10 I13 N14 I17 C50 D59 V62L10-L54 HydrophobicContact CD2-CD1 3.93Å; I13-L54 HydrophobicContact CG2-CD2 4.19Å; N14-L54 HydrophobicContact CB-CD2 3.7Å; I17-L54 HydrophobicContact CD1-CD2 4.44Å; C50-L54 HydrophobicContact CB-CD1 4.5Å; C50-L54 WeakPolarHBondContact O-CB 3.49Å; C50-L54 PolarHBondContact O-N 3.29Å; L54-D59 HydrophobicContact CB-CB 4.09Å; L54-V62 HydrophobicContact CD1-CB 3.63Å; L54-V62 HydrophobicContact CD1-CG1 4.05Å; L54-V62 HydrophobicContact CD1-CG2 3.53Å
55E89.4Confident89.4Confident153 Ų15353 Ų5372%0.71526%0.26SS*.  trans-86.1151.2174.2-64.4-166.8160.300112.5Y58 D59E55-Y58 WeakPolarHBondContact O-CB 3.32Å; E55-Y58 PolarHBondContact O-N 3.05Å; E55-D59 PolarHBondContact O-N 3.05Å
56P88.3Confident90.1Very high101 Ų10148.5 Ų48.566%0.65623%0.233SC*.THydrogen-bonded Turntrans-60.1135.5171.6-23.734.2000113D59P56-D59 VanDerWaalsContact CA-OD1 3.23Å; P56-D59 WeakPolarHBondContact CA-OD1 3.5Å
57P91.4Very high90.8Very high20 Ų2051.7 Ų51.713%0.1325%0.245CC..THydrogen-bonded Turncis-95.76.710.438.4-37.4000114.9D59 M61 P91 A95P57-D59 PolarHBondContact O-N 3.44Å; P57-M61 PolarHBondContact O-N 2.6Å; P57-P91 HydrophobicContact CB-CB 4.1Å; P57-P91 WeakPolarHBondContact CG-O 3.32Å; P57-P91 VanDerWaalsContact O-CB 3.26Å; P57-P91 WeakPolarHBondContact O-CB 3.21Å; P57-A95 HydrophobicContact CG-CB 3.73Å
58Y90.9Very high91.2Very high29 Ų2946.7 Ų46.711%0.11423%0.226CC..Hα-helixtrans-73-27.4-173.2-64.9-72.3000113.5I17 E55 M61 V62 A95 H99 W104I17-Y58 HydrophobicContact CD1-CD1 3.63Å; I17-Y58 HydrophobicContact CD1-CD2 4.21Å; I17-Y58 HydrophobicContact CD1-CE1 4.14Å; I17-Y58 HydrophobicContact CD1-CG 3.65Å; I17-Y58 HydrophobicContact CG1-CD1 4.38Å; I17-Y58 HydrophobicContact CG1-CE1 4.4Å; I17-Y58 HydrophobicContact CG2-CD2 4Å; I17-Y58 HydrophobicContact CG2-CE1 4.42Å; I17-Y58 HydrophobicContact CG2-CE2 3.69Å; I17-Y58 HydrophobicContact CG2-CG 4.48Å; E55-Y58 WeakPolarHBondContact O-CB 3.32Å; E55-Y58 PolarHBondContact O-N 3.05Å; Y58-M61 HydrophobicContact CD1-CE 3.72Å; Y58-M61 HydrophobicContact CD1-SD 4.26Å; Y58-M61 HydrophobicContact CE1-CE 4.35Å; Y58-M61 WeakPolarHBondContact O-CB 3.46Å; Y58-M61 PolarHBondContact O-N 3.21Å; Y58-V62 WeakPolarHBondContact O-CG2 3.44Å; Y58-V62 PolarHBondContact O-N 2.66Å; Y58-A95 HydrophobicContact CE1-CB 4.04Å; Y58-A95 HydrophobicContact CE2-CB 4.44Å; Y58-H99 PolarHBondContact OH-NE2 3.34Å; Y58-W104 WeakPolarHBondContact OH-CH2 3.46Å; Y58-W104 WeakPolarHBondContact OH-CZ2 3.38Å
59D91.6Very high91.6Very high7 Ų740.6 Ų40.64%0.03720%0.198CC..Hα-helixtrans-55.1-50.5172.569.1-40.4000112.2C50 Q51 L54 E55 P56 P57 A63C50-D59 HydrophobicContact CB-CB 4.5Å; C50-D59 WeakPolarHBondContact CB-O 3.45Å; Q51-D59 HydrophobicContact CG-CB 4.22Å; Q51-D59 VanDerWaalsContact CG-OD2 3.31Å; Q51-D59 WeakPolarHBondContact CG-OD2 3.37Å; L54-D59 HydrophobicContact CB-CB 4.09Å; E55-D59 PolarHBondContact O-N 3.05Å; P56-D59 VanDerWaalsContact CA-OD1 3.23Å; P56-D59 WeakPolarHBondContact CA-OD1 3.5Å; P57-D59 PolarHBondContact O-N 3.44Å; D59-A63 VanDerWaalsContact O-CB 3.23Å; D59-A63 WeakPolarHBondContact O-CB 3.46Å; D59-A63 PolarHBondContact O-N 3.42Å
60E91.6Very high91.9Very high63 Ų6339.3 Ų39.329%0.29419%0.191SC..Hα-helixtrans-69-37.3179.5-63.8-163.8149.100111.4R47 A64 P91R47-E60 IonicContact CZ-OE1 3.74Å; R47-E60 IonicContact NH2-OE1 2.81Å; R47-E60 PolarHBondContact NH2-OE1 3.44Å; E60-A64 VanDerWaalsContact O-CB 3.31Å; E60-A64 WeakPolarHBondContact O-CB 3.43Å; E60-A64 PolarHBondContact O-N 3.17Å; E60-P91 HydrophobicContact CB-CB 4.29Å; E60-P91 HydrophobicContact CB-CG 3.95Å
61M92.9Very high92.1Very high0 Ų039.4 Ų39.40%019%0.191CC..Hα-helixtrans-59.5-52.6176.9-165-175.969.900111.2L29 P57 Y58 A64 H65 V87 P91 F92L29-M61 HydrophobicContact CD1-CE 3.42Å; L29-M61 VanDerWaalsContact CD1-CE 3.42Å; L29-M61 HydrophobicContact CD2-CE 4.27Å; P57-M61 PolarHBondContact O-N 2.6Å; Y58-M61 HydrophobicContact CD1-CE 3.72Å; Y58-M61 HydrophobicContact CD1-SD 4.26Å; Y58-M61 HydrophobicContact CE1-CE 4.35Å; Y58-M61 WeakPolarHBondContact O-CB 3.46Å; Y58-M61 PolarHBondContact O-N 3.21Å; M61-A64 PolarHBondContact O-N 3.47Å; M61-H65 PolarHBondContact O-N 3.11Å; M61-V87 HydrophobicContact CG-CG1 3.83Å; M61-P91 HydrophobicContact CB-CB 3.8Å; M61-P91 HydrophobicContact CG-CB 4.42Å; M61-F92 HydrophobicContact SD-CB 3.97Å; M61-F92 HydrophobicContact SD-CD2 3.97Å; M61-F92 HydrophobicContact SD-CG 4.47Å
62V93.1Very high92.2Very high0 Ų036.2 Ų36.20%018%0.178CC..Hα-helixtrans-72.8-36.2-176.3-179.90000111.1Y9 L10 I13 L29 L54 Y58 A64 H65 L66Y9-V62 HydrophobicContact CE1-CG1 4.14Å; L10-V62 HydrophobicContact CD2-CG1 3.53Å; I13-V62 HydrophobicContact CD1-CG1 3.86Å; I13-V62 HydrophobicContact CD1-CG2 4.06Å; I13-V62 HydrophobicContact CG2-CG2 3.96Å; L29-V62 HydrophobicContact CD2-CG2 4.28Å; L54-V62 HydrophobicContact CD1-CB 3.63Å; L54-V62 HydrophobicContact CD1-CG1 4.05Å; L54-V62 HydrophobicContact CD1-CG2 3.53Å; Y58-V62 WeakPolarHBondContact O-CG2 3.44Å; Y58-V62 PolarHBondContact O-N 2.66Å; V62-A64 VanDerWaalsContact C-N 3.33Å; V62-A64 PolarHBondContact O-N 2.79Å; V62-H65 WeakPolarHBondContact O-CB 3.49Å; V62-H65 PolarHBondContact O-N 3.38Å; V62-L66 HydrophobicContact CG1-CD1 4.25Å; V62-L66 HydrophobicContact CG1-CG 4.41Å; V62-L66 WeakPolarHBondContact O-CG 3.46Å; V62-L66 PolarHBondContact O-N 2.92Å
63A93.3Very high92.3Very high2 Ų230.6 Ų30.62%0.01716%0.159CC..Hα-helixtrans-61-42.2173.400000112R47 C50 D59 R67R47-A63 HydrophobicContact CB-CB 4.32Å; C50-A63 HydrophobicContact CB-CB 4.14Å; D59-A63 VanDerWaalsContact O-CB 3.23Å; D59-A63 WeakPolarHBondContact O-CB 3.46Å; D59-A63 PolarHBondContact O-N 3.42Å; A63-R67 WeakPolarHBondContact O-CG 3.34Å; A63-R67 PolarHBondContact O-N 3.13Å; A63-R67 VanDerWaalsContact O-N 3.14Å
64A93.5Very high92.4Very high7 Ų732.5 Ų32.56%0.05817%0.17CC..Hα-helixtrans-66.4-39.4175.200000111.9E60 M61 V62 R67 C68 L86 V87E60-A64 VanDerWaalsContact O-CB 3.31Å; E60-A64 WeakPolarHBondContact O-CB 3.43Å; E60-A64 PolarHBondContact O-N 3.17Å; M61-A64 PolarHBondContact O-N 3.47Å; V62-A64 VanDerWaalsContact C-N 3.33Å; V62-A64 PolarHBondContact O-N 2.79Å; A64-R67 PolarHBondContact O-N 2.88Å; A64-C68 WeakPolarHBondContact O-CB 3.13Å; A64-C68 PolarHBondContact O-N 3.38Å; A64-L86 HydrophobicContact CB-CB 4.28Å; A64-V87 HydrophobicContact CB-CG2 3.65Å
65H94.2Very high92.4Very high1 Ų138.7 Ų38.71%0.00520%0.198CC..Hα-helixtrans-59.9-48.9174.5-179.170.7000112.1Y9 L29 F31 H35 M61 V62 R67 C68 T69 V87Y9-H65 PolarHBondContact OH-CD2 3.38Å; L29-H65 HydrophobicContact CD2-CB 4.24Å; L29-H65 PolarHBondContact O-CE1 3.14Å; F31-H65 AromaticContact CD2-CE1 3.93Å; F31-H65 AromaticContact CE2-CE1 3.5Å; F31-H65 VanDerWaalsContact CE2-CE1 3.5Å; F31-H65 WeakPolarHBondContact CE2-CE1 3.44Å; F31-H65 AromaticContact CE2-ND1 3.54Å; H35-H65 AromaticContact CE1-NE2 3.74Å; H35-H65 AromaticContact NE2-CE1 3.79Å; H35-H65 AromaticContact NE2-NE2 2.98Å; H35-H65 PolarHBondContact NE2-NE2 3.49Å; M61-H65 PolarHBondContact O-N 3.11Å; V62-H65 WeakPolarHBondContact O-CB 3.49Å; V62-H65 PolarHBondContact O-N 3.38Å; H65-R67 VanDerWaalsContact C-N 3.33Å; H65-R67 PolarHBondContact O-N 2.96Å; H65-C68 CarbonylContact O-C 3.58Å; H65-C68 WeakPolarHBondContact O-CA 3.34Å; H65-C68 VanDerWaalsContact O-CB 3.24Å; H65-C68 WeakPolarHBondContact O-CB 3.37Å; H65-C68 PolarHBondContact O-N 3.37Å; H65-T69 WeakPolarHBondContact O-CG2 3.45Å; H65-T69 PolarHBondContact O-N 3.17Å; H65-V87 HydrophobicContact CB-CG2 4.3Å
66L93.6Very high92.6Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-62-39.8178.8-67.9172.9000112.1Y9 L10 L41 A46 V62 C68 T69 Y70Y9-L66 HydrophobicContact CD1-CD2 4.29Å; Y9-L66 HydrophobicContact CE1-CD2 3.79Å; Y9-L66 HydrophobicContact CE1-CG 4.42Å; L10-L66 HydrophobicContact CD2-CD1 4.47Å; L41-L66 HydrophobicContact CB-CD2 3.99Å; L41-L66 WeakPolarHBondContact O-CD2 3.5Å; A46-L66 HydrophobicContact CB-CB 3.75Å; A46-L66 HydrophobicContact CB-CD1 3.76Å; A46-L66 HydrophobicContact CB-CG 4.41Å; V62-L66 HydrophobicContact CG1-CD1 4.25Å; V62-L66 HydrophobicContact CG1-CG 4.41Å; V62-L66 WeakPolarHBondContact O-CG 3.46Å; V62-L66 PolarHBondContact O-N 2.92Å; L66-C68 VanDerWaalsContact C-N 3.32Å; L66-C68 PolarHBondContact O-N 3.08Å; L66-T69 PolarHBondContact O-N 3.31Å; L66-T69 PolarHBondContact O-OG1 3.24Å; L66-Y70 PolarHBondContact O-N 3.24Å; L66-Y70 VanDerWaalsContact O-N 3.13Å
67R93.2Very high92.9Very high67 Ų6731.7 Ų31.725%0.25316%0.158SC..Hα-helixtrans-63.5-37.5171.7-72172.8176.6167.5-0.3112.5Q44 A63 A64 H65 Y70 A71 F83Q44-R67 PolarHBondContact O-NE 2.9Å; A63-R67 WeakPolarHBondContact O-CG 3.34Å; A63-R67 PolarHBondContact O-N 3.13Å; A63-R67 VanDerWaalsContact O-N 3.14Å; A64-R67 PolarHBondContact O-N 2.88Å; H65-R67 VanDerWaalsContact C-N 3.33Å; H65-R67 PolarHBondContact O-N 2.96Å; R67-Y70 WeakPolarHBondContact O-CB 3.49Å; R67-Y70 PolarHBondContact O-N 2.81Å; R67-A71 PolarHBondContact O-N 3.11Å; R67-F83 HydrophobicContact CB-CD1 3.95Å; R67-F83 HydrophobicContact CB-CD2 3.92Å; R67-F83 HydrophobicContact CB-CE1 4.02Å; R67-F83 HydrophobicContact CB-CE2 3.94Å; R67-F83 HydrophobicContact CB-CG 3.93Å; R67-F83 HydrophobicContact CB-CZ 4.02Å
68C93.8Very high93Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-62.2-42.9173.4-168.50000110.9F31 A64 H65 L66 Y70 A71 V72 A80 F83F31-C68 HydrophobicContact CE2-CB 4.29Å; F31-C68 HydrophobicContact CZ-CB 3.71Å; F31-C68 WeakPolarHBondContact CZ-SG 3.47Å; A64-C68 WeakPolarHBondContact O-CB 3.13Å; A64-C68 PolarHBondContact O-N 3.38Å; H65-C68 CarbonylContact O-C 3.58Å; H65-C68 WeakPolarHBondContact O-CA 3.34Å; H65-C68 VanDerWaalsContact O-CB 3.24Å; H65-C68 WeakPolarHBondContact O-CB 3.37Å; H65-C68 PolarHBondContact O-N 3.37Å; L66-C68 VanDerWaalsContact C-N 3.32Å; L66-C68 PolarHBondContact O-N 3.08Å; C68-Y70 VanDerWaalsContact C-N 3.29Å; C68-Y70 PolarHBondContact O-N 2.56Å; C68-A71 PolarHBondContact O-N 3.11Å; C68-V72 WeakPolarHBondContact O-CG2 3.31Å; C68-V72 PolarHBondContact O-N 3.13Å; C68-A80 PolarHBondContact SG-O 2.78Å; C68-F83 HydrophobicContact CB-CB 3.71Å
69T93.6Very high93.2Very high0 Ų033.8 Ų33.80%017%0.169CC..Hα-helixtrans-60.1-38.2175.471.20000112.7F31 V36 L41 H65 L66 V72 A73F31-T69 HydrophobicContact CE1-CG2 3.93Å; F31-T69 HydrophobicContact CZ-CG2 3.91Å; V36-T69 HydrophobicContact CG1-CG2 4.33Å; V36-T69 HydrophobicContact CG2-CG2 4.27Å; L41-T69 PolarHBondContact O-OG1 3.17Å; H65-T69 WeakPolarHBondContact O-CG2 3.45Å; H65-T69 PolarHBondContact O-N 3.17Å; L66-T69 PolarHBondContact O-N 3.31Å; L66-T69 PolarHBondContact O-OG1 3.24Å; T69-V72 PolarHBondContact O-N 2.94Å; T69-A73 WeakPolarHBondContact O-CB 3.37Å; T69-A73 PolarHBondContact O-N 3.35Å
70Y93.1Very high93.4Very high67 Ų6733.4 Ų33.426%0.26317%0.167SC..Hα-helixtrans-64.2-46.6174177-89.7000112.3Q42 Q44 L66 R67 C68 V72 A73 N74Q42-Y70 HydrophobicContact CB-CD2 4.33Å; Q42-Y70 WeakPolarHBondContact O-CD2 3.29Å; Q44-Y70 VanDerWaalsContact CD-CE1 3.4Å; Q44-Y70 HydrophobicContact CG-CD1 3.45Å; Q44-Y70 VanDerWaalsContact CG-CD1 3.45Å; Q44-Y70 HydrophobicContact CG-CD2 4.07Å; Q44-Y70 HydrophobicContact CG-CE1 3.35Å; Q44-Y70 HydrophobicContact CG-CE2 3.95Å; Q44-Y70 HydrophobicContact CG-CG 3.82Å; Q44-Y70 PolarHBondContact NE2-OH 2.9Å; L66-Y70 PolarHBondContact O-N 3.24Å; L66-Y70 VanDerWaalsContact O-N 3.13Å; R67-Y70 WeakPolarHBondContact O-CB 3.49Å; R67-Y70 PolarHBondContact O-N 2.81Å; C68-Y70 VanDerWaalsContact C-N 3.29Å; C68-Y70 PolarHBondContact O-N 2.56Å; Y70-V72 VanDerWaalsContact C-N 3.32Å; Y70-V72 PolarHBondContact O-N 3.11Å; Y70-A73 PolarHBondContact O-N 2.9Å; Y70-N74 WeakPolarHBondContact CD1-ND2 3.45Å; Y70-N74 WeakPolarHBondContact CE1-ND2 2.9Å; Y70-N74 PolarHBondContact O-N 3.14Å; Y70-N74 VanDerWaalsContact O-N 3.17Å; Y70-N74 PolarHBondContact O-ND2 3.47Å; Y70-N74 VanDerWaalsContact O-ND2 3.09Å; Y70-N74 PolarHBondContact OH-ND2 3.16Å
71A93.7Very high93.6Very high1 Ų131.1 Ų31.11%0.00816%0.156CC..Hα-helixtrans-62.1-40.3177.800000112.1R67 C68 N74 H75 D76 E79 A80 F83R67-A71 PolarHBondContact O-N 3.11Å; C68-A71 PolarHBondContact O-N 3.11Å; A71-N74 CarbonylContact O-C 3.04Å; A71-N74 PolarHBondContact O-N 3.13Å; A71-H75 PolarHBondContact O-N 3.28Å; A71-D76 PolarHBondContact O-N 2.92Å; A71-E79 HydrophobicContact CB-CB 4.13Å; A71-E79 HydrophobicContact CB-CG 4.47Å; A71-A80 HydrophobicContact CB-CB 3.99Å; A71-F83 HydrophobicContact CB-CD2 4.16Å; A71-F83 HydrophobicContact CB-CE2 4.34Å
72V93.2Very high93.6Very high30 Ų3037.1 Ų37.118%0.18218%0.182CC..Hα-helixtrans-63.4-42.3175.2172.10000111.7F31 C68 T69 Y70 N74 H75 A80 F119F31-V72 HydrophobicContact CD1-CG2 4.31Å; F31-V72 HydrophobicContact CE1-CB 4.23Å; F31-V72 HydrophobicContact CE1-CG2 3.72Å; F31-V72 HydrophobicContact CZ-CG2 4.44Å; C68-V72 WeakPolarHBondContact O-CG2 3.31Å; C68-V72 PolarHBondContact O-N 3.13Å; T69-V72 PolarHBondContact O-N 2.94Å; Y70-V72 VanDerWaalsContact C-N 3.32Å; Y70-V72 PolarHBondContact O-N 3.11Å; V72-N74 PolarHBondContact O-N 2.69Å; V72-H75 PolarHBondContact O-N 3.26Å; V72-A80 HydrophobicContact CG2-CB 3.66Å; V72-F119 HydrophobicContact CG2-CD1 4.43Å; V72-F119 HydrophobicContact CG2-CE1 3.48Å; V72-F119 VanDerWaalsContact CG2-CE1 3.48Å; V72-F119 HydrophobicContact CG2-CZ 3.63Å
73A92.1Very high93.7Very high40 Ų4038.7 Ų38.733%0.33119%0.189SC..Hα-helixtrans-60.9-32176.900000112.5Q42 T69 Y70 H75Q42-A73 VanDerWaalsContact CD-CB 3.45Å; Q42-A73 HydrophobicContact CG-CB 4.14Å; T69-A73 WeakPolarHBondContact O-CB 3.37Å; T69-A73 PolarHBondContact O-N 3.35Å; Y70-A73 PolarHBondContact O-N 2.9Å; A73-H75 VanDerWaalsContact C-N 3.33Å
74N92.6Very high93.8Very high90 Ų9038.6 Ų38.648%0.48119%0.188SC..THydrogen-bonded Turntrans-88.47.5176.2-67-47.1000114.4Y70 A71 V72 D76Y70-N74 WeakPolarHBondContact CD1-ND2 3.45Å; Y70-N74 WeakPolarHBondContact CE1-ND2 2.9Å; Y70-N74 PolarHBondContact O-N 3.14Å; Y70-N74 VanDerWaalsContact O-N 3.17Å; Y70-N74 PolarHBondContact O-ND2 3.47Å; Y70-N74 VanDerWaalsContact O-ND2 3.09Å; Y70-N74 PolarHBondContact OH-ND2 3.16Å; A71-N74 CarbonylContact O-C 3.04Å; A71-N74 PolarHBondContact O-N 3.13Å; V72-N74 PolarHBondContact O-N 2.69Å; N74-D76 PolarHBondContact O-N 2.87Å
75H91.9Very high93.8Very high134 Ų13439 Ų3962%0.6219%0.19SC*.THydrogen-bonded Turntrans57.525.8-176-58.9-68.4000114.8A71 V72 A73 F77 Q126A71-H75 PolarHBondContact O-N 3.28Å; V72-H75 PolarHBondContact O-N 3.26Å; A73-H75 VanDerWaalsContact C-N 3.33Å; H75-F77 PolarHBondContact O-N 2.89Å; H75-Q126 PolarHBondContact O-NE2 2.96Å
76D94.2Very high93.7Very high58 Ų5843.2 Ų43.231%0.3121%0.212SC..  trans-94.887.9169.9-164-27.1000110.3A71 N74 V78 E79 A80A71-D76 PolarHBondContact O-N 2.92Å; N74-D76 PolarHBondContact O-N 2.87Å; D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 3.17Å; D76-V78 PolarHBondContact OD1-N 2.97Å; D76-V78 VanDerWaalsContact OD1-N 3.1Å; D76-E79 HydrophobicContact CB-CB 4.16Å; D76-E79 PolarHBondContact OD1-N 3.32Å; D76-A80 WeakPolarHBondContact O-CB 3.47Å; D76-A80 PolarHBondContact O-N 3.45Å
77F94Very high93.6Very high50 Ų5043.2 Ų43.222%0.21921%0.212CC..Hα-helixtrans-75-21.1179.6-60.4-73000112.8H75 Y81 F119 N122 A123 Q126H75-F77 PolarHBondContact O-N 2.89Å; F77-Y81 VanDerWaalsContact O-CB 3.29Å; F77-Y81 WeakPolarHBondContact O-CB 3.42Å; F77-Y81 PolarHBondContact O-N 3.22Å; F77-F119 HydrophobicContact CD1-CD1 4.29Å; F77-F119 HydrophobicContact CD1-CE1 4.5Å; F77-N122 HydrophobicContact CB-CB 3.92Å; F77-N122 HydrophobicContact CD1-CB 3.89Å; F77-N122 HydrophobicContact CD2-CB 4.41Å; F77-N122 HydrophobicContact CG-CB 3.81Å; F77-A123 WeakPolarHBondContact O-CB 3.47Å; F77-Q126 VanDerWaalsContact CB-OE1 3.28Å
78V94.1Very high93.5Very high27 Ų2740 Ų4016%0.16420%0.2CC..Hα-helixtrans-70.6-44.3176.3177.70000109.8D76 K82 A123 L127 M138D76-V78 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 3.17Å; D76-V78 PolarHBondContact OD1-N 2.97Å; D76-V78 VanDerWaalsContact OD1-N 3.1Å; V78-K82 WeakPolarHBondContact O-CG 3.27Å; V78-K82 PolarHBondContact O-N 2.98Å; V78-A123 HydrophobicContact CG2-CB 4.23Å; V78-L127 HydrophobicContact CG2-CD1 4.27Å; V78-L127 HydrophobicContact CG2-CD2 3.92Å; V78-L127 HydrophobicContact CG2-CG 3.76Å; V78-M138 HydrophobicContact CG1-CE 4.1Å
79E94.4Very high93.1Very high65 Ų6544.6 Ų44.630%0.30422%0.221SC..Hα-helixtrans-69.8-41.5174.5-157.5-177.1-164.700111.5A71 D76 Y81 K82 F83A71-E79 HydrophobicContact CB-CB 4.13Å; A71-E79 HydrophobicContact CB-CG 4.47Å; D76-E79 HydrophobicContact CB-CB 4.16Å; D76-E79 PolarHBondContact OD1-N 3.32Å; E79-Y81 VanDerWaalsContact C-N 3.3Å; E79-Y81 PolarHBondContact O-N 2.76Å; E79-K82 WeakPolarHBondContact O-CB 2.93Å; E79-K82 PolarHBondContact O-N 3.29Å; E79-F83 HydrophobicContact CG-CD2 4.04Å; E79-F83 HydrophobicContact CG-CE2 3.48Å; E79-F83 VanDerWaalsContact CG-CE2 3.48Å; E79-F83 HydrophobicContact CG-CZ 4.06Å; E79-F83 WeakPolarHBondContact O-CD2 3.19Å; E79-F83 PolarHBondContact O-N 2.98Å
80A94.8Very high92.4Very high0 Ų050.8 Ų50.80%025%0.245CC..Hα-helixtrans-56.7-43.2173.800000112.1C68 A71 V72 D76 K82 F83 Q84 F119C68-A80 PolarHBondContact SG-O 2.78Å; A71-A80 HydrophobicContact CB-CB 3.99Å; V72-A80 HydrophobicContact CG2-CB 3.66Å; D76-A80 WeakPolarHBondContact O-CB 3.47Å; D76-A80 PolarHBondContact O-N 3.45Å; A80-K82 VanDerWaalsContact C-N 3.35Å; A80-K82 PolarHBondContact O-N 3.36Å; A80-F83 PolarHBondContact O-N 3.28Å; A80-Q84 WeakPolarHBondContact O-CB 3.29Å; A80-Q84 PolarHBondContact O-N 2.89Å; A80-F119 HydrophobicContact CB-CD1 4.25Å; A80-F119 HydrophobicContact CB-CE1 4.43Å
81Y95.5Very high91.8Very high15 Ų1547.9 Ų47.96%0.05924%0.235CC..Hα-helixtrans-59.8-42.4174.9167-102.4000112.3F77 E79 Q84 T85 L116 A120 A123 M138 K141 A142F77-Y81 VanDerWaalsContact O-CB 3.29Å; F77-Y81 WeakPolarHBondContact O-CB 3.42Å; F77-Y81 PolarHBondContact O-N 3.22Å; E79-Y81 VanDerWaalsContact C-N 3.3Å; E79-Y81 PolarHBondContact O-N 2.76Å; Y81-Q84 PolarHBondContact O-N 3.44Å; Y81-T85 WeakPolarHBondContact O-CB 3.45Å; Y81-T85 PolarHBondContact O-N 3.31Å; Y81-T85 PolarHBondContact O-OG1 3.22Å; Y81-L116 HydrophobicContact CD2-CD1 3.97Å; Y81-L116 HydrophobicContact CE2-CD1 3.73Å; Y81-A120 HydrophobicContact CD2-CB 3.79Å; Y81-A120 HydrophobicContact CE2-CB 3.65Å; Y81-A123 HydrophobicContact CG-CB 4.37Å; Y81-M138 HydrophobicContact CD1-CE 4.44Å; Y81-M138 HydrophobicContact CD1-SD 4.33Å; Y81-M138 HydrophobicContact CE1-CB 4.32Å; Y81-M138 HydrophobicContact CE1-CG 4.18Å; Y81-M138 PolarHBondContact OH-O 3.26Å; Y81-M138 VanDerWaalsContact OH-O 3.09Å; Y81-K141 WeakPolarHBondContact OH-CB 3.49Å; Y81-A142 HydrophobicContact CE2-CB 4.21Å
82K94.6Very high91.6Very high125 Ų12548 Ų4854%0.54324%0.235SC..Hα-helixtrans-62.5-47.4177.2-69.4173.3-176.1177.10111.2V78 E79 A80 T85 L86V78-K82 WeakPolarHBondContact O-CG 3.27Å; V78-K82 PolarHBondContact O-N 2.98Å; E79-K82 WeakPolarHBondContact O-CB 2.93Å; E79-K82 PolarHBondContact O-N 3.29Å; A80-K82 VanDerWaalsContact C-N 3.35Å; A80-K82 PolarHBondContact O-N 3.36Å; K82-T85 WeakPolarHBondContact O-CB 3.17Å; K82-T85 PolarHBondContact O-N 3.4Å; K82-L86 WeakPolarHBondContact O-CG 3.08Å; K82-L86 PolarHBondContact O-N 3.07Å
83F94.2Very high91.3Very high33 Ų3349.1 Ų49.115%0.14524%0.238CC..Hα-helixtrans-64.2-41.1177.5-68.3-49.8000112.2R67 C68 A71 E79 A80 T85 L86 V87R67-F83 HydrophobicContact CB-CD1 3.95Å; R67-F83 HydrophobicContact CB-CD2 3.92Å; R67-F83 HydrophobicContact CB-CE1 4.02Å; R67-F83 HydrophobicContact CB-CE2 3.94Å; R67-F83 HydrophobicContact CB-CG 3.93Å; R67-F83 HydrophobicContact CB-CZ 4.02Å; C68-F83 HydrophobicContact CB-CB 3.71Å; A71-F83 HydrophobicContact CB-CD2 4.16Å; A71-F83 HydrophobicContact CB-CE2 4.34Å; E79-F83 HydrophobicContact CG-CD2 4.04Å; E79-F83 HydrophobicContact CG-CE2 3.48Å; E79-F83 VanDerWaalsContact CG-CE2 3.48Å; E79-F83 HydrophobicContact CG-CZ 4.06Å; E79-F83 WeakPolarHBondContact O-CD2 3.19Å; E79-F83 PolarHBondContact O-N 2.98Å; A80-F83 PolarHBondContact O-N 3.28Å; F83-T85 VanDerWaalsContact C-N 3.3Å; F83-T85 PolarHBondContact O-N 3.04Å; F83-L86 HydrophobicContact CD1-CD1 4.17Å; F83-L86 WeakPolarHBondContact O-CB 3.28Å; F83-L86 PolarHBondContact O-N 3.01Å; F83-L86 VanDerWaalsContact O-N 3.15Å; F83-V87 WeakPolarHBondContact O-CG2 3.29Å; F83-V87 PolarHBondContact O-N 3.5Å
84Q95.3Very high91.1Very high0 Ų053.9 Ų53.90%025%0.247CC..Hα-helixtrans-66.8-33.5175.7-168.865.613.400112.3A80 Y81 L86 V87 V88 V112 L116 F119A80-Q84 WeakPolarHBondContact O-CB 3.29Å; A80-Q84 PolarHBondContact O-N 2.89Å; Y81-Q84 PolarHBondContact O-N 3.44Å; Q84-L86 VanDerWaalsContact C-N 3.31Å; Q84-V87 WeakPolarHBondContact O-CB 3.43Å; Q84-V87 PolarHBondContact O-N 2.94Å; Q84-V88 PolarHBondContact O-N 2.89Å; Q84-V112 PolarHBondContact NE2-O 3.45Å; Q84-L116 HydrophobicContact CB-CD1 4.32Å; Q84-L116 HydrophobicContact CG-CB 3.88Å; Q84-L116 HydrophobicContact CG-CD1 4.18Å; Q84-F119 HydrophobicContact CB-CD2 3.8Å; Q84-F119 HydrophobicContact CB-CE2 4.39Å; Q84-F119 HydrophobicContact CG-CD2 3.88Å; Q84-F119 HydrophobicContact CG-CE2 4.36Å
85T93.8Very high90.9Very high17 Ų1749.7 Ų49.710%0.10423%0.225CC..Hα-helixtrans-62.5-43.1172.7-57.80000110Y81 K82 F83 V87 V88 Q89 L116 Q145Y81-T85 WeakPolarHBondContact O-CB 3.45Å; Y81-T85 PolarHBondContact O-N 3.31Å; Y81-T85 PolarHBondContact O-OG1 3.22Å; K82-T85 WeakPolarHBondContact O-CB 3.17Å; K82-T85 PolarHBondContact O-N 3.4Å; F83-T85 VanDerWaalsContact C-N 3.3Å; F83-T85 PolarHBondContact O-N 3.04Å; T85-V87 VanDerWaalsContact C-N 3.34Å; T85-V87 PolarHBondContact O-N 3.21Å; T85-V88 PolarHBondContact O-N 2.95Å; T85-Q89 HydrophobicContact CG2-CB 4.44Å; T85-Q89 WeakPolarHBondContact O-CB 3.48Å; T85-Q89 PolarHBondContact O-N 3.27Å; T85-L116 WeakPolarHBondContact OG1-CD1 3.35Å; T85-Q145 HydrophobicContact CG2-CG 4.35Å
86L92.7Very high90.7Very high88 Ų8843.4 Ų43.446%0.46120%0.196SC..Hα-helixtrans-60.6-40.9174.9-70.5169.8000112.2A64 K82 F83 Q84 V88 P91A64-L86 HydrophobicContact CB-CB 4.28Å; K82-L86 WeakPolarHBondContact O-CG 3.08Å; K82-L86 PolarHBondContact O-N 3.07Å; F83-L86 HydrophobicContact CD1-CD1 4.17Å; F83-L86 WeakPolarHBondContact O-CB 3.28Å; F83-L86 PolarHBondContact O-N 3.01Å; F83-L86 VanDerWaalsContact O-N 3.15Å; Q84-L86 VanDerWaalsContact C-N 3.31Å; L86-V88 VanDerWaalsContact C-N 3.29Å; L86-V88 PolarHBondContact O-N 3.06Å; L86-P91 WeakPolarHBondContact O-CD 3.48Å
87V92.1Very high90.5Very high0 Ų046.1 Ų46.10%021%0.207CC..Hα-helixtrans-54.5-46.3175172.40000111.1M61 A64 H65 F83 Q84 T85 F92 V112M61-V87 HydrophobicContact CG-CG1 3.83Å; A64-V87 HydrophobicContact CB-CG2 3.65Å; H65-V87 HydrophobicContact CB-CG2 4.3Å; F83-V87 WeakPolarHBondContact O-CG2 3.29Å; F83-V87 PolarHBondContact O-N 3.5Å; Q84-V87 WeakPolarHBondContact O-CB 3.43Å; Q84-V87 PolarHBondContact O-N 2.94Å; T85-V87 VanDerWaalsContact C-N 3.34Å; T85-V87 PolarHBondContact O-N 3.21Å; V87-F92 WeakPolarHBondContact O-CB 3.5Å; V87-F92 PolarHBondContact O-N 3.1Å; V87-V112 HydrophobicContact CG1-CB 4.23Å; V87-V112 HydrophobicContact CG1-CG1 3.95Å
88V90.2Very high90.1Very high1 Ų147.2 Ų47.21%0.00622%0.22CC..Iπ-helixtrans-82.1-45.5-174.1-178.90000112.5Q84 T85 L86 Y90 F93 V112 T113 L116 Q145Q84-V88 PolarHBondContact O-N 2.89Å; T85-V88 PolarHBondContact O-N 2.95Å; L86-V88 VanDerWaalsContact C-N 3.29Å; L86-V88 PolarHBondContact O-N 3.06Å; V88-Y90 PolarHBondContact O-N 3.43Å; V88-F93 WeakPolarHBondContact O-CB 3.41Å; V88-F93 PolarHBondContact O-N 3.38Å; V88-V112 HydrophobicContact CG2-CB 4.01Å; V88-V112 HydrophobicContact CG2-CG2 3.94Å; V88-T113 HydrophobicContact CG1-CG2 4.37Å; V88-L116 HydrophobicContact CB-CD2 4.08Å; V88-L116 HydrophobicContact CG1-CD2 4.24Å; V88-L116 HydrophobicContact CG2-CB 4.31Å; V88-L116 HydrophobicContact CG2-CD2 3.97Å; V88-Q145 HydrophobicContact CG1-CB 4.04Å
89Q84.8Confident89.6Confident95 Ų9547.5 Ų47.544%0.44422%0.22SC..Iπ-helixtrans-66.3-42.8-163177.5171.422.100114T85T85-Q89 HydrophobicContact CG2-CB 4.44Å; T85-Q89 WeakPolarHBondContact O-CB 3.48Å; T85-Q89 PolarHBondContact O-N 3.27Å
90Y79.1Confident88.9Confident130 Ų13052.2 Ų52.251%0.5124%0.239SC..Iπ-helixtrans-114.7-59.3-174.7-173.8-97.6000112.6V88 R94V88-Y90 PolarHBondContact O-N 3.43Å; Y90-R94 VanDerWaalsContact O-CB 3.26Å; Y90-R94 WeakPolarHBondContact O-CB 3.42Å; Y90-R94 PolarHBondContact O-N 2.89Å; Y90-R94 VanDerWaalsContact O-N 3.08Å; Y90-R94 PolarHBondContact OH-NH1 3.26Å
91P81.6Confident88.1Confident6 Ų657.3 Ų57.34%0.03926%0.263CS..Iπ-helixtrans-73.3-50.1-167.9-15.431.8000112.2P57 E60 M61 L86 A95P57-P91 HydrophobicContact CB-CB 4.1Å; P57-P91 WeakPolarHBondContact CG-O 3.32Å; P57-P91 VanDerWaalsContact O-CB 3.26Å; P57-P91 WeakPolarHBondContact O-CB 3.21Å; E60-P91 HydrophobicContact CB-CB 4.29Å; E60-P91 HydrophobicContact CB-CG 3.95Å; M61-P91 HydrophobicContact CB-CB 3.8Å; M61-P91 HydrophobicContact CG-CB 4.42Å; L86-P91 WeakPolarHBondContact O-CD 3.48Å; P91-A95 PolarHBondContact O-N 3.36Å; P91-A95 VanDerWaalsContact O-N 3.16Å
92F88Confident87.6Confident4 Ų460.2 Ų60.22%0.01828%0.277CS..Iπ-helixtrans-66.4-46.3177.5-179.7-98.2000111.8M61 V87 R94 A95 F96 V108 M109 V112M61-F92 HydrophobicContact SD-CB 3.97Å; M61-F92 HydrophobicContact SD-CD2 3.97Å; M61-F92 HydrophobicContact SD-CG 4.47Å; V87-F92 WeakPolarHBondContact O-CB 3.5Å; V87-F92 PolarHBondContact O-N 3.1Å; F92-R94 VanDerWaalsContact C-N 3.3Å; F92-R94 PolarHBondContact O-N 3.36Å; F92-A95 PolarHBondContact O-N 2.94Å; F92-F96 HydrophobicContact CD1-CB 4.29Å; F92-F96 HydrophobicContact CE1-CB 3.79Å; F92-F96 HydrophobicContact CE1-CD1 4.39Å; F92-F96 HydrophobicContact CE1-CD2 4.26Å; F92-F96 AromaticContact CE1-CG 3.9Å; F92-F96 HydrophobicContact CE1-CG 3.9Å; F92-F96 HydrophobicContact CE2-CB 4.44Å; F92-F96 HydrophobicContact CZ-CB 3.84Å; F92-F96 AromaticContact CZ-CD2 3.78Å; F92-F96 HydrophobicContact CZ-CD2 3.78Å; F92-F96 AromaticContact CZ-CG 3.87Å; F92-F96 HydrophobicContact CZ-CG 3.87Å; F92-F96 WeakPolarHBondContact O-CB 3.39Å; F92-F96 PolarHBondContact O-N 3.15Å; F92-V108 HydrophobicContact CD2-CG1 4.01Å; F92-V108 HydrophobicContact CE2-CB 4.01Å; F92-V108 HydrophobicContact CE2-CG1 3.66Å; F92-M109 HydrophobicContact CE1-CB 3.79Å; F92-M109 HydrophobicContact CE1-CG 3.88Å; F92-M109 VanDerWaalsContact CZ-CA 3.42Å; F92-M109 HydrophobicContact CZ-CB 3.5Å; F92-M109 HydrophobicContact CZ-CG 4.12Å; F92-V112 HydrophobicContact CD1-CG2 4.14Å; F92-V112 HydrophobicContact CE1-CG2 4.39Å; F92-V112 HydrophobicContact CG-CG2 4.24Å
93F88.4Confident87.4Confident53 Ų5356.4 Ų56.423%0.23226%0.263CS..Hα-helixtrans-57-43.8179.8176.8-98.8000112.2V88 F96 Q97 V152V88-F93 WeakPolarHBondContact O-CB 3.41Å; V88-F93 PolarHBondContact O-N 3.38Å; F93-F96 PolarHBondContact O-N 3.36Å; F93-Q97 WeakPolarHBondContact O-CB 3.3Å; F93-Q97 PolarHBondContact O-N 3.31Å; F93-V152 HydrophobicContact CD2-CG2 4.33Å; F93-V152 HydrophobicContact CE2-CG2 3.51Å; F93-V152 HydrophobicContact CZ-CG2 4.04Å
94R87.5Confident87.3Confident141 Ų14156.1 Ų56.153%0.53226%0.261SS..Hα-helixtrans-64.2-48178.3-172.8-180179.9-173.5-3.3112Y90 F92 Q97 S98Y90-R94 VanDerWaalsContact O-CB 3.26Å; Y90-R94 WeakPolarHBondContact O-CB 3.42Å; Y90-R94 PolarHBondContact O-N 2.89Å; Y90-R94 VanDerWaalsContact O-N 3.08Å; Y90-R94 PolarHBondContact OH-NH1 3.26Å; F92-R94 VanDerWaalsContact C-N 3.3Å; F92-R94 PolarHBondContact O-N 3.36Å; R94-Q97 PolarHBondContact O-N 2.82Å; R94-S98 PolarHBondContact O-N 3.27Å; R94-S98 PolarHBondContact O-OG 2.94Å
95A87.1Confident87.2Confident2 Ų256.3 Ų56.32%0.01726%0.262CS..Hα-helixtrans-61-45.9175.500000111.5P57 Y58 P91 F92 Q97 S98 H99P57-A95 HydrophobicContact CG-CB 3.73Å; Y58-A95 HydrophobicContact CE1-CB 4.04Å; Y58-A95 HydrophobicContact CE2-CB 4.44Å; P91-A95 PolarHBondContact O-N 3.36Å; P91-A95 VanDerWaalsContact O-N 3.16Å; F92-A95 PolarHBondContact O-N 2.94Å; A95-Q97 PolarHBondContact O-N 2.76Å; A95-S98 WeakPolarHBondContact CA-OG 3.42Å; A95-S98 PolarHBondContact O-N 2.92Å; A95-S98 VanDerWaalsContact O-N 3.15Å; A95-S98 PolarHBondContact O-OG 3.47Å; A95-H99 PolarHBondContact O-CD2 3.38Å; A95-H99 VanDerWaalsContact O-CG 3.28Å; A95-H99 PolarHBondContact O-N 3.08Å; A95-H99 PolarHBondContact O-NE2 3.17Å
96F89.3Confident87.2Confident1 Ų156.3 Ų56.30%0.00426%0.262CS..Hα-helixtrans-63.9-31.7180-170.5-115.4000111.9F92 F93 A105 L106 M109 V152 K165F92-F96 HydrophobicContact CD1-CB 4.29Å; F92-F96 HydrophobicContact CE1-CB 3.79Å; F92-F96 HydrophobicContact CE1-CD1 4.39Å; F92-F96 HydrophobicContact CE1-CD2 4.26Å; F92-F96 AromaticContact CE1-CG 3.9Å; F92-F96 HydrophobicContact CE1-CG 3.9Å; F92-F96 HydrophobicContact CE2-CB 4.44Å; F92-F96 HydrophobicContact CZ-CB 3.84Å; F92-F96 AromaticContact CZ-CD2 3.78Å; F92-F96 HydrophobicContact CZ-CD2 3.78Å; F92-F96 AromaticContact CZ-CG 3.87Å; F92-F96 HydrophobicContact CZ-CG 3.87Å; F92-F96 WeakPolarHBondContact O-CB 3.39Å; F92-F96 PolarHBondContact O-N 3.15Å; F93-F96 PolarHBondContact O-N 3.36Å; F96-A105 HydrophobicContact CD2-CB 3.83Å; F96-A105 HydrophobicContact CE2-CB 4.21Å; F96-L106 HydrophobicContact CE2-CD2 4.06Å; F96-L106 HydrophobicContact CZ-CD2 3.84Å; F96-M109 HydrophobicContact CE1-SD 4.06Å; F96-M109 HydrophobicContact CZ-SD 3.83Å; F96-V152 HydrophobicContact CD1-CB 4.12Å; F96-V152 HydrophobicContact CD1-CG1 3.67Å; F96-V152 HydrophobicContact CE1-CB 4.07Å; F96-V152 HydrophobicContact CE1-CG1 3.69Å; F96-K165 HydrophobicContact CE1-CD 4.19Å; F96-K165 HydrophobicContact CE2-CD 3.98Å; F96-K165 HydrophobicContact CE2-CG 4.28Å; F96-K165 HydrophobicContact CZ-CB 4.24Å; F96-K165 HydrophobicContact CZ-CD 3.71Å; F96-K165 HydrophobicContact CZ-CG 4.04Å; F96-K165 PolarHBondContact O-NZ 3.33Å
97Q88.4Confident87.3Confident116 Ų11654.1 Ų54.154%0.54225%0.253SS..Hα-helixtrans-76.2-34.3174.4-170177.225.600112.7F93 R94 A95F93-Q97 WeakPolarHBondContact O-CB 3.3Å; F93-Q97 PolarHBondContact O-N 3.31Å; R94-Q97 PolarHBondContact O-N 2.82Å; A95-Q97 PolarHBondContact O-N 2.76Å
98S87.1Confident87.5Confident72 Ų7254.3 Ų54.350%0.50325%0.254SS..Hα-helixtrans-70.5-31-177.557.70000113.8R94 A95 K100R94-S98 PolarHBondContact O-N 3.27Å; R94-S98 PolarHBondContact O-OG 2.94Å; A95-S98 WeakPolarHBondContact CA-OG 3.42Å; A95-S98 PolarHBondContact O-N 2.92Å; A95-S98 VanDerWaalsContact O-N 3.15Å; A95-S98 PolarHBondContact O-OG 3.47Å; S98-K100 PolarHBondContact O-N 3.01Å
99H82.9Confident87.7Confident33 Ų3354.3 Ų54.315%0.15325%0.254CS..  trans-70.884.4-178.8-62.1-30.1000111.5Y58 A95 E102 W104 K165Y58-H99 PolarHBondContact OH-NE2 3.34Å; A95-H99 PolarHBondContact O-CD2 3.38Å; A95-H99 VanDerWaalsContact O-CG 3.28Å; A95-H99 PolarHBondContact O-N 3.08Å; A95-H99 PolarHBondContact O-NE2 3.17Å; H99-E102 HydrophobicContact CB-CB 4.41Å; H99-W104 AromaticContact CD2-CE2 3.96Å; H99-W104 AromaticContact CD2-CZ2 3.82Å; H99-W104 AromaticContact CD2-NE1 3.77Å; H99-W104 AromaticContact NE2-CE2 3.97Å; H99-W104 AromaticContact NE2-CZ2 3.42Å; H99-W104 WeakPolarHBondContact NE2-CZ2 3.35Å; H99-K165 WeakPolarHBondContact O-CE 3.31Å; H99-K165 PolarHBondContact O-NZ 3.47Å
100K79.5Confident88.2Confident164 Ų16451.1 Ų51.171%0.71324%0.242SC*.THydrogen-bonded Turntrans-74.7137.3179.8-65.6177.9-174.5171.70109.1S98 E102S98-K100 PolarHBondContact O-N 3.01Å; K100-E102 PolarHBondContact O-N 3.47Å; K100-E102 VanDerWaalsContact O-N 3.12Å
101E77.4Confident89Confident107 Ų10745.5 Ų45.550%0.522%0.222SC..THydrogen-bonded Turntrans62.219.8171.9-57.9170.2-172.900114.8R158 A159E101-R158 HydrophobicContact CG-CB 4.43Å; E101-A159 HydrophobicContact CB-CB 4.39Å; E101-A159 HydrophobicContact CG-CB 4.37Å
102E85.7Confident89.7Confident77 Ų7745.2 Ų45.236%0.3622%0.221SC..  trans-125.8143.2175.7-67.7174.2-164.500111.2H20 H99 K100 W104 D163 K165H20-E102 IonicContact CE1-OE2 3.09Å; H20-E102 IonicContact ND1-OE2 2.59Å; H99-E102 HydrophobicContact CB-CB 4.41Å; K100-E102 PolarHBondContact O-N 3.47Å; K100-E102 VanDerWaalsContact O-N 3.12Å; E102-W104 PolarHBondContact OE2-NE1 2.92Å; E102-W104 VanDerWaalsContact OE2-NE1 3.1Å; E102-D163 CarbonylContact C-O 3.59Å; E102-K165 WeakPolarHBondContact O-CE 3.06Å
103N89.4Confident90Very high45 Ų4545 Ų4524%0.24122%0.22CC..  trans-116.32.4179.1716.7000114.8A105 L106 D162 D163N103-A105 PolarHBondContact O-N 2.92Å; N103-L106 HydrophobicContact CB-CD1 3.75Å; N103-L106 HydrophobicContact CB-CG 4.07Å; N103-L106 VanDerWaalsContact O-CB 3.28Å; N103-L106 WeakPolarHBondContact O-CB 3.49Å; N103-L106 VanDerWaalsContact O-CG 3.24Å; N103-L106 WeakPolarHBondContact O-CG 3.5Å; N103-L106 PolarHBondContact O-N 3.32Å; N103-D162 PolarHBondContact ND2-O 3.44Å; N103-D163 WeakPolarHBondContact CB-O 3.17Å; N103-D163 PolarHBondContact N-O 3.29Å
104W92.6Very high90.4Very high26 Ų2643.6 Ų43.610%0.09821%0.214CC..THydrogen-bonded Turntrans-56.1-29-17473.2-96.7000112.6I17 H20 G22 Y58 H99 E102 L106 P107I17-W104 HydrophobicContact CG1-CH2 4.49Å; I17-W104 HydrophobicContact CG2-CH2 4.3Å; H20-W104 HydrophobicContact CB-CB 4.03Å; H20-W104 HydrophobicContact CB-CD2 4.15Å; H20-W104 HydrophobicContact CB-CG 3.83Å; H20-W104 AromaticContact CE1-NE1 3.67Å; H20-W104 AromaticContact CG-CD1 3.95Å; H20-W104 AromaticContact ND1-CD1 3.15Å; H20-W104 AromaticContact ND1-CD2 3.77Å; H20-W104 AromaticContact ND1-CE2 3.36Å; H20-W104 AromaticContact ND1-CG 3.67Å; H20-W104 AromaticContact ND1-NE1 2.97Å; H20-W104 PolarHBondContact ND1-NE1 3.09Å; H20-W104 WeakPolarHBondContact O-CB 3.31Å; G22-W104 WeakPolarHBondContact CA-O 3.48Å; Y58-W104 WeakPolarHBondContact OH-CH2 3.46Å; Y58-W104 WeakPolarHBondContact OH-CZ2 3.38Å; H99-W104 AromaticContact CD2-CE2 3.96Å; H99-W104 AromaticContact CD2-CZ2 3.82Å; H99-W104 AromaticContact CD2-NE1 3.77Å; H99-W104 AromaticContact NE2-CE2 3.97Å; H99-W104 AromaticContact NE2-CZ2 3.42Å; H99-W104 WeakPolarHBondContact NE2-CZ2 3.35Å; E102-W104 PolarHBondContact OE2-NE1 2.92Å; E102-W104 VanDerWaalsContact OE2-NE1 3.1Å; W104-L106 VanDerWaalsContact C-N 3.28Å; W104-L106 PolarHBondContact O-N 3Å; W104-P107 WeakPolarHBondContact O-CD 3.34Å
105A93.4Very high90.8Very high4 Ų437 Ų373%0.03319%0.19CC..THydrogen-bonded Turntrans-78.4-3179.700000114.3F96 N103 V108 M109F96-A105 HydrophobicContact CD2-CB 3.83Å; F96-A105 HydrophobicContact CE2-CB 4.21Å; N103-A105 PolarHBondContact O-N 2.92Å; A105-V108 WeakPolarHBondContact O-CB 3.34Å; A105-V108 PolarHBondContact O-N 2.98Å; A105-M109 PolarHBondContact O-N 3.32Å
106L94.1Very high91.2Very high18 Ų1837 Ų379%0.09419%0.189CC..Hα-helixtrans-61.2-39.6179.4-73.5-177.8000114.9F96 N103 W104 V108 M109 S110 K165 W167F96-L106 HydrophobicContact CE2-CD2 4.06Å; F96-L106 HydrophobicContact CZ-CD2 3.84Å; N103-L106 HydrophobicContact CB-CD1 3.75Å; N103-L106 HydrophobicContact CB-CG 4.07Å; N103-L106 VanDerWaalsContact O-CB 3.28Å; N103-L106 WeakPolarHBondContact O-CB 3.49Å; N103-L106 VanDerWaalsContact O-CG 3.24Å; N103-L106 WeakPolarHBondContact O-CG 3.5Å; N103-L106 PolarHBondContact O-N 3.32Å; W104-L106 VanDerWaalsContact C-N 3.28Å; W104-L106 PolarHBondContact O-N 3Å; L106-V108 VanDerWaalsContact C-N 3.33Å; L106-M109 HydrophobicContact CD2-CE 3.99Å; L106-M109 HydrophobicContact CD2-SD 4.18Å; L106-M109 WeakPolarHBondContact O-CB 3.23Å; L106-S110 WeakPolarHBondContact O-CB 3.5Å; L106-S110 PolarHBondContact O-N 3.49Å; L106-S110 PolarHBondContact O-OG 3.36Å; L106-K165 HydrophobicContact CD2-CB 4.35Å; L106-W167 HydrophobicContact CD1-CB 3.62Å
107P95.1Very high91.6Very high42 Ų4238.5 Ų38.527%0.27320%0.195SC..Hα-helixtrans-63.7-40.3173-21.335.6000111.4A26 W104 S110 A111A26-P107 VanDerWaalsContact CB-C 3.43Å; A26-P107 HydrophobicContact CB-CB 3.82Å; A26-P107 WeakPolarHBondContact CB-O 3.48Å; W104-P107 WeakPolarHBondContact O-CD 3.34Å; P107-S110 WeakPolarHBondContact O-CB 3.11Å; P107-S110 PolarHBondContact O-N 3.05Å; P107-S110 VanDerWaalsContact O-N 3.15Å; P107-A111 PolarHBondContact O-N 2.98Å
108V94.9Very high91.9Very high4 Ų435.5 Ų35.52%0.02418%0.182CC..Hα-helixtrans-62.8-49.1177.1-177.10000110.1C25 A26 L29 F92 A105 L106 S110 A111 V112C25-V108 HydrophobicContact CB-CG2 3.87Å; A26-V108 HydrophobicContact CB-CG2 4.18Å; L29-V108 HydrophobicContact CD1-CG1 3.73Å; F92-V108 HydrophobicContact CD2-CG1 4.01Å; F92-V108 HydrophobicContact CE2-CB 4.01Å; F92-V108 HydrophobicContact CE2-CG1 3.66Å; A105-V108 WeakPolarHBondContact O-CB 3.34Å; A105-V108 PolarHBondContact O-N 2.98Å; L106-V108 VanDerWaalsContact C-N 3.33Å; V108-S110 PolarHBondContact O-N 3.18Å; V108-A111 PolarHBondContact O-N 3.45Å; V108-A111 VanDerWaalsContact O-N 3.12Å; V108-V112 HydrophobicContact CG1-CG1 4.28Å; V108-V112 WeakPolarHBondContact O-CG2 3.12Å; V108-V112 PolarHBondContact O-N 3.43Å
109M95.7Very high92.3Very high0 Ų032.5 Ų32.50%016%0.16CC..Hα-helixtrans-50.3-46.5172.6-174.7-160.466.600110.8F92 F96 A105 L106 A111 T113 C149 F171 L172F92-M109 HydrophobicContact CE1-CB 3.79Å; F92-M109 HydrophobicContact CE1-CG 3.88Å; F92-M109 VanDerWaalsContact CZ-CA 3.42Å; F92-M109 HydrophobicContact CZ-CB 3.5Å; F92-M109 HydrophobicContact CZ-CG 4.12Å; F96-M109 HydrophobicContact CE1-SD 4.06Å; F96-M109 HydrophobicContact CZ-SD 3.83Å; A105-M109 PolarHBondContact O-N 3.32Å; L106-M109 HydrophobicContact CD2-CE 3.99Å; L106-M109 HydrophobicContact CD2-SD 4.18Å; L106-M109 WeakPolarHBondContact O-CB 3.23Å; M109-A111 PolarHBondContact O-N 3.02Å; M109-T113 HydrophobicContact CG-CG2 4.33Å; M109-T113 VanDerWaalsContact O-CB 3.32Å; M109-T113 WeakPolarHBondContact O-CB 3.49Å; M109-T113 VanDerWaalsContact O-CG2 3.27Å; M109-T113 WeakPolarHBondContact O-CG2 3.43Å; M109-T113 PolarHBondContact O-N 2.85Å; M109-T113 PolarHBondContact O-OG1 2.95Å; M109-C149 HydrophobicContact CG-CB 4.5Å; M109-C149 HydrophobicContact SD-CB 4.46Å; M109-F171 HydrophobicContact CE-CD1 4.45Å; M109-L172 HydrophobicContact CE-CD1 4.03Å; M109-L172 HydrophobicContact CE-CD2 4.2Å; M109-L172 HydrophobicContact CE-CG 3.84Å; M109-L172 HydrophobicContact CG-CD2 4.45Å; M109-L172 HydrophobicContact SD-CD1 3.61Å; M109-L172 HydrophobicContact SD-CD2 4.14Å; M109-L172 HydrophobicContact SD-CG 3.99Å
110S95.4Very high92.9Very high29 Ų2930.9 Ų30.920%0.20315%0.153CC..Hα-helixtrans-65.3-40.2-177.2-60.10000112.1L106 P107 V108 L114 F171L106-S110 WeakPolarHBondContact O-CB 3.5Å; L106-S110 PolarHBondContact O-N 3.49Å; L106-S110 PolarHBondContact O-OG 3.36Å; P107-S110 WeakPolarHBondContact O-CB 3.11Å; P107-S110 PolarHBondContact O-N 3.05Å; P107-S110 VanDerWaalsContact O-N 3.15Å; V108-S110 PolarHBondContact O-N 3.18Å; S110-L114 WeakPolarHBondContact O-CB 3.47Å; S110-L114 PolarHBondContact O-N 3.44Å; S110-F171 VanDerWaalsContact CA-CE1 3.42Å; S110-F171 WeakPolarHBondContact O-CE1 3.47Å; S110-F171 WeakPolarHBondContact O-CZ 3.3Å
111A95.7Very high93.7Very high11 Ų1124.6 Ų24.69%0.09113%0.127CC..Hα-helixtrans-65.8-56.3175.900000111.6A26 P107 V108 M109 T113 L114 D115A26-A111 HydrophobicContact CB-CB 4.18Å; P107-A111 PolarHBondContact O-N 2.98Å; V108-A111 PolarHBondContact O-N 3.45Å; V108-A111 VanDerWaalsContact O-N 3.12Å; M109-A111 PolarHBondContact O-N 3.02Å; A111-T113 VanDerWaalsContact C-N 3.35Å; A111-T113 PolarHBondContact O-N 3.4Å; A111-L114 WeakPolarHBondContact O-CB 3.31Å; A111-L114 PolarHBondContact O-N 3.23Å; A111-D115 PolarHBondContact O-N 2.95Å
112V95.1Very high94.4Very high0 Ų021.8 Ų21.80%012%0.115CC..Hα-helixtrans-65.9-36.2-172.6-58.90000112.7Q84 V87 V88 F92 V108 L116Q84-V112 PolarHBondContact NE2-O 3.45Å; V87-V112 HydrophobicContact CG1-CB 4.23Å; V87-V112 HydrophobicContact CG1-CG1 3.95Å; V88-V112 HydrophobicContact CG2-CB 4.01Å; V88-V112 HydrophobicContact CG2-CG2 3.94Å; F92-V112 HydrophobicContact CD1-CG2 4.14Å; F92-V112 HydrophobicContact CE1-CG2 4.39Å; F92-V112 HydrophobicContact CG-CG2 4.24Å; V108-V112 HydrophobicContact CG1-CG1 4.28Å; V108-V112 WeakPolarHBondContact O-CG2 3.12Å; V108-V112 PolarHBondContact O-N 3.43Å; V112-L116 WeakPolarHBondContact O-CB 3.33Å; V112-L116 PolarHBondContact O-N 3.47Å
113T95.8Very high94.8Very high0 Ų018.1 Ų18.10%010%0.098CC..Hα-helixtrans-76.7-31.6178.1590000112.9V88 M109 A111 R117 L146 L172V88-T113 HydrophobicContact CG1-CG2 4.37Å; M109-T113 HydrophobicContact CG-CG2 4.33Å; M109-T113 VanDerWaalsContact O-CB 3.32Å; M109-T113 WeakPolarHBondContact O-CB 3.49Å; M109-T113 VanDerWaalsContact O-CG2 3.27Å; M109-T113 WeakPolarHBondContact O-CG2 3.43Å; M109-T113 PolarHBondContact O-N 2.85Å; M109-T113 PolarHBondContact O-OG1 2.95Å; A111-T113 VanDerWaalsContact C-N 3.35Å; A111-T113 PolarHBondContact O-N 3.4Å; T113-R117 PolarHBondContact O-N 3.13Å; T113-L146 HydrophobicContact CG2-CD1 3.97Å; T113-L146 HydrophobicContact CG2-CG 4.2Å; T113-L172 HydrophobicContact CG2-CD2 4.04Å
114L96.1Very high94.9Very high23 Ų2316.5 Ų16.512%0.129%0.089CC..Hα-helixtrans-62.3-48.5171179.868.4000110.6S110 A111 R117 I118 F171S110-L114 WeakPolarHBondContact O-CB 3.47Å; S110-L114 PolarHBondContact O-N 3.44Å; A111-L114 WeakPolarHBondContact O-CB 3.31Å; A111-L114 PolarHBondContact O-N 3.23Å; L114-R117 VanDerWaalsContact CD1-NH2 3.3Å; L114-R117 PolarHBondContact O-N 2.9Å; L114-I118 HydrophobicContact CD1-CD1 4.36Å; L114-I118 HydrophobicContact CG-CD1 3.96Å; L114-I118 WeakPolarHBondContact O-CG1 3.26Å; L114-I118 PolarHBondContact O-N 2.74Å; L114-F171 HydrophobicContact CB-CZ 4.18Å
115D95.6Very high94.9Very high4 Ų419.8 Ų19.82%0.02111%0.106CC..Hα-helixtrans-67-39.8-177.4-68.8-17000110.5F31 A111 R117 I118 F119F31-D115 HydrophobicContact CD2-CB 4.17Å; F31-D115 PolarHBondContact N-OD2 2.97Å; A111-D115 PolarHBondContact O-N 2.95Å; D115-R117 VanDerWaalsContact C-N 3.33Å; D115-R117 PolarHBondContact O-N 3.11Å; D115-I118 PolarHBondContact O-N 3.13Å; D115-I118 VanDerWaalsContact O-N 3.07Å; D115-F119 HydrophobicContact CB-CD2 4.44Å; D115-F119 HydrophobicContact CB-CE2 4.15Å; D115-F119 WeakPolarHBondContact O-CD2 3.47Å; D115-F119 PolarHBondContact O-N 3.13Å
116L96.3Very high94.9Very high0 Ų021.4 Ų21.40%011%0.113CC..Hα-helixtrans-55.2-46.8172.2179.857.9000112Y81 Q84 T85 V88 V112 I118 F119 A120 A142 Q145 L146Y81-L116 HydrophobicContact CD2-CD1 3.97Å; Y81-L116 HydrophobicContact CE2-CD1 3.73Å; Q84-L116 HydrophobicContact CB-CD1 4.32Å; Q84-L116 HydrophobicContact CG-CB 3.88Å; Q84-L116 HydrophobicContact CG-CD1 4.18Å; T85-L116 WeakPolarHBondContact OG1-CD1 3.35Å; V88-L116 HydrophobicContact CB-CD2 4.08Å; V88-L116 HydrophobicContact CG1-CD2 4.24Å; V88-L116 HydrophobicContact CG2-CB 4.31Å; V88-L116 HydrophobicContact CG2-CD2 3.97Å; V112-L116 WeakPolarHBondContact O-CB 3.33Å; V112-L116 PolarHBondContact O-N 3.47Å; L116-I118 PolarHBondContact O-N 3.43Å; L116-F119 PolarHBondContact O-N 3.35Å; L116-A120 WeakPolarHBondContact O-CB 3.21Å; L116-A120 PolarHBondContact O-N 3.47Å; L116-A142 HydrophobicContact CD2-CB 4.4Å; L116-A142 HydrophobicContact CG-CB 4.08Å; L116-Q145 HydrophobicContact CD2-CB 3.91Å; L116-Q145 HydrophobicContact CD2-CG 4.32Å; L116-L146 HydrophobicContact CD2-CD1 3.81Å; L116-L146 HydrophobicContact CG-CD1 4.46Å
117R96.8Very high94.8Very high33 Ų3322.4 Ų22.413%0.12512%0.117CC..Hα-helixtrans-64.5-39.2176.7-173.7-144.565.1-159.4-10.9111.7T113 L114 D115 N121 Q175 I179T113-R117 PolarHBondContact O-N 3.13Å; L114-R117 VanDerWaalsContact CD1-NH2 3.3Å; L114-R117 PolarHBondContact O-N 2.9Å; D115-R117 VanDerWaalsContact C-N 3.33Å; D115-R117 PolarHBondContact O-N 3.11Å; R117-N121 PolarHBondContact O-N 2.94Å; R117-N121 PolarHBondContact O-ND2 3.26Å; R117-Q175 VanDerWaalsContact CZ-OE1 3.31Å; R117-I179 HydrophobicContact CG-CD1 4.04Å; R117-I179 HydrophobicContact CG-CG1 3.84Å
118I95.9Very high94.5Very high53 Ų5324.6 Ų24.627%0.27212%0.124SC..Hα-helixtrans-65.4-47.7178.6-68.7169.1000110L114 D115 L116 A120 N121 N122L114-I118 HydrophobicContact CD1-CD1 4.36Å; L114-I118 HydrophobicContact CG-CD1 3.96Å; L114-I118 WeakPolarHBondContact O-CG1 3.26Å; L114-I118 PolarHBondContact O-N 2.74Å; D115-I118 PolarHBondContact O-N 3.13Å; D115-I118 VanDerWaalsContact O-N 3.07Å; L116-I118 PolarHBondContact O-N 3.43Å; I118-A120 PolarHBondContact O-N 2.91Å; I118-N121 WeakPolarHBondContact O-CB 3.39Å; I118-N121 PolarHBondContact O-N 3.4Å; I118-N121 VanDerWaalsContact O-N 3.16Å; I118-N122 PolarHBondContact O-N 3.48Å
119F95.7Very high94.3Very high9 Ų933.2 Ų33.24%0.03916%0.161CC..Hα-helixtrans-65.9-37.5178.2-67.5-49.6000113.1F31 V72 F77 A80 Q84 D115 L116 N121 N122 A123F31-F119 HydrophobicContact CB-CZ 4.28Å; F31-F119 HydrophobicContact CD1-CE2 4.22Å; F31-F119 AromaticContact CD1-CZ 3.54Å; F31-F119 HydrophobicContact CD1-CZ 3.54Å; F31-F119 AromaticContact CD2-CE2 3.6Å; F31-F119 HydrophobicContact CD2-CE2 3.6Å; F31-F119 AromaticContact CD2-CZ 3.78Å; F31-F119 HydrophobicContact CD2-CZ 3.78Å; F31-F119 HydrophobicContact CE1-CE2 4.23Å; F31-F119 AromaticContact CE1-CZ 3.68Å; F31-F119 HydrophobicContact CE1-CZ 3.68Å; F31-F119 AromaticContact CE2-CE2 3.63Å; F31-F119 HydrophobicContact CE2-CE2 3.63Å; F31-F119 AromaticContact CE2-CZ 3.93Å; F31-F119 HydrophobicContact CE2-CZ 3.93Å; F31-F119 AromaticContact CG-CE2 3.9Å; F31-F119 HydrophobicContact CG-CE2 3.9Å; F31-F119 AromaticContact CG-CZ 3.57Å; F31-F119 HydrophobicContact CG-CZ 3.57Å; F31-F119 AromaticContact CZ-CE2 3.96Å; F31-F119 HydrophobicContact CZ-CE2 3.96Å; F31-F119 AromaticContact CZ-CZ 3.89Å; F31-F119 HydrophobicContact CZ-CZ 3.89Å; V72-F119 HydrophobicContact CG2-CD1 4.43Å; V72-F119 HydrophobicContact CG2-CE1 3.48Å; V72-F119 VanDerWaalsContact CG2-CE1 3.48Å; V72-F119 HydrophobicContact CG2-CZ 3.63Å; F77-F119 HydrophobicContact CD1-CD1 4.29Å; F77-F119 HydrophobicContact CD1-CE1 4.5Å; A80-F119 HydrophobicContact CB-CD1 4.25Å; A80-F119 HydrophobicContact CB-CE1 4.43Å; Q84-F119 HydrophobicContact CB-CD2 3.8Å; Q84-F119 HydrophobicContact CB-CE2 4.39Å; Q84-F119 HydrophobicContact CG-CD2 3.88Å; Q84-F119 HydrophobicContact CG-CE2 4.36Å; D115-F119 HydrophobicContact CB-CD2 4.44Å; D115-F119 HydrophobicContact CB-CE2 4.15Å; D115-F119 WeakPolarHBondContact O-CD2 3.47Å; D115-F119 PolarHBondContact O-N 3.13Å; L116-F119 PolarHBondContact O-N 3.35Å; F119-N121 VanDerWaalsContact C-N 3.26Å; F119-N121 PolarHBondContact O-N 3.49Å; F119-N122 PolarHBondContact O-N 2.84Å; F119-A123 WeakPolarHBondContact O-CB 3.19Å; F119-A123 PolarHBondContact O-N 3.36Å
120A95.6Very high94Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-56.9-41.9172.400000111.5Y81 L116 I118 E124 L139 A142Y81-A120 HydrophobicContact CD2-CB 3.79Å; Y81-A120 HydrophobicContact CE2-CB 3.65Å; L116-A120 WeakPolarHBondContact O-CB 3.21Å; L116-A120 PolarHBondContact O-N 3.47Å; I118-A120 PolarHBondContact O-N 2.91Å; A120-E124 VanDerWaalsContact O-CB 3.28Å; A120-E124 WeakPolarHBondContact O-CB 3.21Å; A120-E124 PolarHBondContact O-N 3.24Å; A120-E124 VanDerWaalsContact O-N 3.13Å; A120-L139 HydrophobicContact CB-CD2 3.77Å; A120-L139 HydrophobicContact CB-CG 4.47Å; A120-A142 HydrophobicContact CB-CB 3.93Å
121N94.6Very high93.5Very high32 Ų3242 Ų4217%0.17122%0.216CC..Hα-helixtrans-66.6-43.4175.3-78.1-68.3000112.7R117 I118 F119 Q125 K182R117-N121 PolarHBondContact O-N 2.94Å; R117-N121 PolarHBondContact O-ND2 3.26Å; I118-N121 WeakPolarHBondContact O-CB 3.39Å; I118-N121 PolarHBondContact O-N 3.4Å; I118-N121 VanDerWaalsContact O-N 3.16Å; F119-N121 VanDerWaalsContact C-N 3.26Å; F119-N121 PolarHBondContact O-N 3.49Å; N121-Q125 VanDerWaalsContact O-CG 3.31Å; N121-Q125 WeakPolarHBondContact O-CG 2.96Å; N121-Q125 PolarHBondContact O-N 3.24Å; N121-K182 WeakPolarHBondContact OD1-CD 3.41Å; N121-K182 PolarHBondContact OD1-NZ 2.88Å
122N94.2Very high92.9Very high47 Ų4748.3 Ų48.325%0.25124%0.242SC..Hα-helixtrans-69.1-42.3-178.2-67.7-11.4000111.7F77 I118 F119 Q125 Q126F77-N122 HydrophobicContact CB-CB 3.92Å; F77-N122 HydrophobicContact CD1-CB 3.89Å; F77-N122 HydrophobicContact CD2-CB 4.41Å; F77-N122 HydrophobicContact CG-CB 3.81Å; I118-N122 PolarHBondContact O-N 3.48Å; F119-N122 PolarHBondContact O-N 2.84Å; N122-Q125 PolarHBondContact O-N 2.89Å; N122-Q126 WeakPolarHBondContact O-CB 3.37Å; N122-Q126 PolarHBondContact O-N 2.81Å
123A93.8Very high92Very high0 Ų050.8 Ų50.80%027%0.267CS..Hα-helixtrans-61-45176.300000111.3F77 V78 Y81 F119 Q126 L127 M138F77-A123 WeakPolarHBondContact O-CB 3.47Å; V78-A123 HydrophobicContact CG2-CB 4.23Å; Y81-A123 HydrophobicContact CG-CB 4.37Å; F119-A123 WeakPolarHBondContact O-CB 3.19Å; F119-A123 PolarHBondContact O-N 3.36Å; A123-Q126 PolarHBondContact O-N 3.16Å; A123-L127 WeakPolarHBondContact O-CB 3.48Å; A123-L127 WeakPolarHBondContact O-CG 3.14Å; A123-L127 PolarHBondContact O-N 2.84Å; A123-M138 HydrophobicContact CB-CE 4.29Å; A123-M138 HydrophobicContact CB-SD 3.46Å; A123-M138 WeakPolarHBondContact CB-SD 3.49Å
124E91.6Very high91.4Very high12 Ų1257.2 Ų57.26%0.05630%0.297CS..Hα-helixtrans-61.6-45.8176.3-169.6-170.8-168.600111.6A120 Q126 L127 Q128 P135 G136 L139 K182A120-E124 VanDerWaalsContact O-CB 3.28Å; A120-E124 WeakPolarHBondContact O-CB 3.21Å; A120-E124 PolarHBondContact O-N 3.24Å; A120-E124 VanDerWaalsContact O-N 3.13Å; E124-Q126 VanDerWaalsContact C-N 3.31Å; E124-Q126 PolarHBondContact O-N 3.27Å; E124-L127 PolarHBondContact O-N 3.39Å; E124-Q128 WeakPolarHBondContact O-CB 3.31Å; E124-Q128 VanDerWaalsContact O-CG 3.24Å; E124-Q128 WeakPolarHBondContact O-CG 3.42Å; E124-Q128 PolarHBondContact O-N 3.03Å; E124-Q128 PolarHBondContact OE1-NE2 3.5Å; E124-P135 WeakPolarHBondContact OE1-CA 3.46Å; E124-G136 PolarHBondContact OE1-N 3.07Å; E124-L139 WeakPolarHBondContact OE2-CD1 3.3Å; E124-K182 IonicContact OE2-NZ 3.57Å; E124-K182 PolarHBondContact OE2-NZ 3.26Å
125Q92Very high90.9Very high95 Ų9560.5 Ų60.544%0.44432%0.32SS..Hα-helixtrans-61.6-39.1175.1-73.517611.900112.3N121 N122 K129N121-Q125 VanDerWaalsContact O-CG 3.31Å; N121-Q125 WeakPolarHBondContact O-CG 2.96Å; N121-Q125 PolarHBondContact O-N 3.24Å; N122-Q125 PolarHBondContact O-N 2.89Å; Q125-K129 VanDerWaalsContact O-CG 3.3Å; Q125-K129 WeakPolarHBondContact O-CG 3.25Å; Q125-K129 PolarHBondContact O-N 3.38Å
126Q93Very high90.6Very high38 Ų3860.6 Ų60.618%0.17832%0.322CS..Hα-helixtrans-67.2-40.3178.3-172.317611.900111.7H75 F77 N122 A123 E124 K130H75-Q126 PolarHBondContact O-NE2 2.96Å; F77-Q126 VanDerWaalsContact CB-OE1 3.28Å; N122-Q126 WeakPolarHBondContact O-CB 3.37Å; N122-Q126 PolarHBondContact O-N 2.81Å; A123-Q126 PolarHBondContact O-N 3.16Å; E124-Q126 VanDerWaalsContact C-N 3.31Å; E124-Q126 PolarHBondContact O-N 3.27Å; Q126-K130 WeakPolarHBondContact O-CG 3.42Å; Q126-K130 PolarHBondContact O-N 3Å
127L91.5Very high90.4Very high38 Ų3864.1 Ų64.120%0.19934%0.338CS..Hα-helixtrans-68.3-45.2175.9-75.5-179.1000111.9V78 A123 E124 K129 K130 G131 K132 M138V78-L127 HydrophobicContact CG2-CD1 4.27Å; V78-L127 HydrophobicContact CG2-CD2 3.92Å; V78-L127 HydrophobicContact CG2-CG 3.76Å; A123-L127 WeakPolarHBondContact O-CB 3.48Å; A123-L127 WeakPolarHBondContact O-CG 3.14Å; A123-L127 PolarHBondContact O-N 2.84Å; E124-L127 PolarHBondContact O-N 3.39Å; L127-K129 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 3.25Å; L127-K130 CarbonylContact O-C 3.44Å; L127-K130 WeakPolarHBondContact O-CA 3.25Å; L127-K130 WeakPolarHBondContact O-CB 3.36Å; L127-K130 PolarHBondContact O-N 3.21Å; L127-G131 PolarHBondContact O-N 2.94Å; L127-K132 CarbonylContact C-O 3.58Å; L127-K132 WeakPolarHBondContact CB-O 3.31Å; L127-K132 HydrophobicContact CD2-CB 4.44Å; L127-K132 PolarHBondContact O-N 3.27Å; L127-M138 HydrophobicContact CD1-CE 3.24Å; L127-M138 HydrophobicContact CD1-SD 3.97Å; L127-M138 HydrophobicContact CG-CE 4.41Å
128Q89.9Confident90.2Very high88 Ų8863.9 Ų63.941%0.41134%0.339SS..Hα-helixtrans-58.7-41.5176.9-75.2174.21.200112E124 K130 G131E124-Q128 WeakPolarHBondContact O-CB 3.31Å; E124-Q128 VanDerWaalsContact O-CG 3.24Å; E124-Q128 WeakPolarHBondContact O-CG 3.42Å; E124-Q128 PolarHBondContact O-N 3.03Å; E124-Q128 PolarHBondContact OE1-NE2 3.5Å; Q128-K130 PolarHBondContact O-N 3.39Å; Q128-G131 PolarHBondContact O-N 3.5Å
129K90.1Very high90.1Very high185 Ų18561.4 Ų61.480%0.80433%0.326SS*.Hα-helixtrans-61.2-29.4174-76.9178.5-177.7-1760113.4Q125 L127 G131Q125-K129 VanDerWaalsContact O-CG 3.3Å; Q125-K129 WeakPolarHBondContact O-CG 3.25Å; Q125-K129 PolarHBondContact O-N 3.38Å; L127-K129 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 3.25Å; K129-G131 VanDerWaalsContact C-N 3.3Å
130K89Confident90.1Very high142 Ų14264 Ų6462%0.61734%0.339SS*.THydrogen-bonded Turntrans-87.74.6175.8-67.6179.3177.9-179.20112.7Q126 L127 Q128 K132Q126-K130 WeakPolarHBondContact O-CG 3.42Å; Q126-K130 PolarHBondContact O-N 3Å; L127-K130 CarbonylContact O-C 3.44Å; L127-K130 WeakPolarHBondContact O-CA 3.25Å; L127-K130 WeakPolarHBondContact O-CB 3.36Å; L127-K130 PolarHBondContact O-N 3.21Å; Q128-K130 PolarHBondContact O-N 3.39Å; K130-K132 PolarHBondContact O-N 2.94Å
131G84.9Confident90Very high72 Ų7268.8 Ų68.874%0.74236%0.359SS*.THydrogen-bonded Turntrans65.421-176.200000113.9L127 Q128 K129L127-G131 PolarHBondContact O-N 2.94Å; Q128-G131 PolarHBondContact O-N 3.5Å; K129-G131 VanDerWaalsContact C-N 3.3Å
132K83.1Confident90Very high143 Ų14367.2 Ų67.262%0.62235%0.351SS*.  trans-118.4158.3-178.1-66.5-174.9-178.9-174.60110.6L127 K130L127-K132 CarbonylContact C-O 3.58Å; L127-K132 WeakPolarHBondContact CB-O 3.31Å; L127-K132 HydrophobicContact CD2-CB 4.44Å; L127-K132 PolarHBondContact O-N 3.27Å; K130-K132 PolarHBondContact O-N 2.94Å
133G77.6Confident90.1Very high52 Ų5265.2 Ų65.254%0.53634%0.34SS..SBendtrans84.614817200000114.5
134Q83.2Confident90.2Very high136 Ų13670.9 Ų70.964%0.63637%0.367SS*.  trans-85.3128.7178.7-173.11757.400110.5G136 E137Q134-G136 PolarHBondContact O-N 3.49Å; Q134-E137 HydrophobicContact CB-CB 4.24Å; Q134-E137 PolarHBondContact O-N 3.34Å
135P85.3Confident90.3Very high92 Ų9271.5 Ų71.560%0.59737%0.37SS*.THydrogen-bonded Turntrans-57.1133.2173.7-23.433.4000111.3E124 E137E124-P135 WeakPolarHBondContact OE1-CA 3.46Å; P135-E137 VanDerWaalsContact C-N 3.35Å; P135-E137 PolarHBondContact O-N 2.95Å
136G88.4Confident90.5Very high5 Ų567 Ų675%0.05235%0.349CS..THydrogen-bonded Turntrans88.7-21.6178.200000115.4E124 Q134 M138 L139 E140E124-G136 PolarHBondContact OE1-N 3.07Å; Q134-G136 PolarHBondContact O-N 3.49Å; G136-M138 PolarHBondContact O-N 2.99Å; G136-L139 WeakPolarHBondContact O-CB 3.41Å; G136-L139 PolarHBondContact O-N 3.34Å; G136-L139 VanDerWaalsContact O-N 3.1Å; G136-E140 WeakPolarHBondContact O-CG 3.36Å; G136-E140 PolarHBondContact O-N 3.3Å
137E91.6Very high90.6Very high74 Ų7466.9 Ų66.935%0.34635%0.349SS..Hα-helixtrans-59.3-47.7-171-168.8-160.6152.400113.1Q134 P135 L139 E140 K141Q134-E137 HydrophobicContact CB-CB 4.24Å; Q134-E137 PolarHBondContact O-N 3.34Å; P135-E137 VanDerWaalsContact C-N 3.35Å; P135-E137 PolarHBondContact O-N 2.95Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 3.41Å; E137-E140 PolarHBondContact O-N 3.43Å; E137-K141 PolarHBondContact O-N 3.41Å; E137-K141 VanDerWaalsContact O-N 3.1Å; E137-K141 IonicContact OE1-NZ 2.78Å; E137-K141 PolarHBondContact OE1-NZ 3.17Å
138M92.6Very high90.8Very high29 Ų2967.1 Ų67.114%0.14335%0.353CS..Hα-helixtrans-67-35.2178.5-69.7-177.2164.400112.4V78 Y81 A123 L127 G136 A142V78-M138 HydrophobicContact CG1-CE 4.1Å; Y81-M138 HydrophobicContact CD1-CE 4.44Å; Y81-M138 HydrophobicContact CD1-SD 4.33Å; Y81-M138 HydrophobicContact CE1-CB 4.32Å; Y81-M138 HydrophobicContact CE1-CG 4.18Å; Y81-M138 PolarHBondContact OH-O 3.26Å; Y81-M138 VanDerWaalsContact OH-O 3.09Å; A123-M138 HydrophobicContact CB-CE 4.29Å; A123-M138 HydrophobicContact CB-SD 3.46Å; A123-M138 WeakPolarHBondContact CB-SD 3.49Å; L127-M138 HydrophobicContact CD1-CE 3.24Å; L127-M138 HydrophobicContact CD1-SD 3.97Å; L127-M138 HydrophobicContact CG-CE 4.41Å; G136-M138 PolarHBondContact O-N 2.99Å; M138-A142 WeakPolarHBondContact O-CB 3.23Å; M138-A142 PolarHBondContact O-N 3.1Å
139L94.6Very high91Very high1 Ų163 Ų631%0.00533%0.334CS..Hα-helixtrans-69.1-36.6176.9-72.1171.3000111.5A120 E124 G136 E137 A142 A143 I179 K182 I183A120-L139 HydrophobicContact CB-CD2 3.77Å; A120-L139 HydrophobicContact CB-CG 4.47Å; E124-L139 WeakPolarHBondContact OE2-CD1 3.3Å; G136-L139 WeakPolarHBondContact O-CB 3.41Å; G136-L139 PolarHBondContact O-N 3.34Å; G136-L139 VanDerWaalsContact O-N 3.1Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 3.41Å; L139-A142 PolarHBondContact O-N 3.25Å; L139-A143 WeakPolarHBondContact O-CB 3.41Å; L139-A143 PolarHBondContact O-N 3.23Å; L139-I179 HydrophobicContact CB-CG2 3.88Å; L139-I179 HydrophobicContact CD2-CG1 4.33Å; L139-I179 WeakPolarHBondContact O-CG2 3.46Å; L139-K182 HydrophobicContact CD1-CD 3.59Å; L139-K182 HydrophobicContact CD1-CG 4.08Å; L139-I183 HydrophobicContact CB-CG2 3.93Å; L139-I183 HydrophobicContact CD1-CG2 4.04Å
140E94.4Very high91.2Very high64 Ų6454.8 Ų54.830%0.29930%0.299SS..Hα-helixtrans-63.3-49174.9-74.1-177.9-169.200111.5G136 E137 A142 A143 E144 I183 K185G136-E140 WeakPolarHBondContact O-CG 3.36Å; G136-E140 PolarHBondContact O-N 3.3Å; E137-E140 PolarHBondContact O-N 3.43Å; E140-A142 VanDerWaalsContact C-N 3.31Å; E140-A142 PolarHBondContact O-N 2.92Å; E140-A143 WeakPolarHBondContact O-CA 3.15Å; E140-A143 WeakPolarHBondContact O-CB 3.44Å; E140-A143 PolarHBondContact O-N 3.02Å; E140-E144 PolarHBondContact O-N 2.69Å; E140-I183 HydrophobicContact CG-CD1 3.52Å; E140-K185 WeakPolarHBondContact OE1-CE 3.3Å; E140-K185 IonicContact OE1-NZ 3.93Å; E140-K185 PolarHBondContact OE1-NZ 3.09Å; E140-K185 IonicContact OE2-NZ 2.68Å; E140-K185 PolarHBondContact OE2-NZ 3Å
141K93.8Very high91.5Very high99 Ų9956.2 Ų56.243%0.4330%0.3SS..Hα-helixtrans-59-41.3174.8-72.6173.7175.6169.10112.1Y81 E137 E144 Q145Y81-K141 WeakPolarHBondContact OH-CB 3.49Å; E137-K141 PolarHBondContact O-N 3.41Å; E137-K141 VanDerWaalsContact O-N 3.1Å; E137-K141 IonicContact OE1-NZ 2.78Å; E137-K141 PolarHBondContact OE1-NZ 3.17Å; K141-E144 PolarHBondContact O-N 2.95Å; K141-Q145 PolarHBondContact O-N 3.14Å
142A95.6Very high91.8Very high0 Ų053.5 Ų53.50%027%0.269CS..Hα-helixtrans-63.2-41.7173.400000112.1Y81 L116 A120 M138 L139 E140 E144 Q145 L146Y81-A142 HydrophobicContact CE2-CB 4.21Å; L116-A142 HydrophobicContact CD2-CB 4.4Å; L116-A142 HydrophobicContact CG-CB 4.08Å; A120-A142 HydrophobicContact CB-CB 3.93Å; M138-A142 WeakPolarHBondContact O-CB 3.23Å; M138-A142 PolarHBondContact O-N 3.1Å; L139-A142 PolarHBondContact O-N 3.25Å; E140-A142 VanDerWaalsContact C-N 3.31Å; E140-A142 PolarHBondContact O-N 2.92Å; A142-E144 VanDerWaalsContact C-N 3.29Å; A142-E144 PolarHBondContact O-N 3.26Å; A142-Q145 PolarHBondContact O-N 2.96Å; A142-L146 WeakPolarHBondContact O-CD1 3.35Å; A142-L146 PolarHBondContact O-N 3.28Å; A142-L146 VanDerWaalsContact O-N 3.08Å
143A96.2Very high92.3Very high4 Ų446.7 Ų46.73%0.03324%0.239CC..Hα-helixtrans-63.1-35.2178.500000112.2L139 E140 Q145 L146 M147 L176 I179 Y180L139-A143 WeakPolarHBondContact O-CB 3.41Å; L139-A143 PolarHBondContact O-N 3.23Å; E140-A143 WeakPolarHBondContact O-CA 3.15Å; E140-A143 WeakPolarHBondContact O-CB 3.44Å; E140-A143 PolarHBondContact O-N 3.02Å; A143-Q145 VanDerWaalsContact C-N 3.34Å; A143-Q145 PolarHBondContact O-N 3.13Å; A143-L146 PolarHBondContact O-N 3.19Å; A143-M147 WeakPolarHBondContact O-CB 3.31Å; A143-M147 VanDerWaalsContact O-CG 3.26Å; A143-M147 WeakPolarHBondContact O-CG 3.27Å; A143-M147 PolarHBondContact O-N 3.45Å; A143-L176 HydrophobicContact CB-CD2 3.94Å; A143-L176 WeakPolarHBondContact O-CD2 3.16Å; A143-I179 HydrophobicContact CB-CD1 3.94Å; A143-I179 HydrophobicContact CB-CG2 3.93Å; A143-Y180 HydrophobicContact CB-CE1 3.77Å
144E94.9Very high92.9Very high120 Ų12045.8 Ų45.856%0.56123%0.227SC*.Hα-helixtrans-59-44.8173.5-69.7172.1-179.400111.7E140 K141 A142 M147 S148E140-E144 PolarHBondContact O-N 2.69Å; K141-E144 PolarHBondContact O-N 2.95Å; A142-E144 VanDerWaalsContact C-N 3.29Å; A142-E144 PolarHBondContact O-N 3.26Å; E144-M147 WeakPolarHBondContact O-CB 3.48Å; E144-M147 PolarHBondContact O-N 2.9Å; E144-S148 PolarHBondContact O-N 3.02Å; E144-S148 PolarHBondContact O-OG 2.84Å
145Q95Very high93.2Very high25 Ų2543.3 Ų43.312%0.11723%0.225CC..Hα-helixtrans-65.1-41.9177.6-55.8-49.6-39.100112.4T85 V88 L116 K141 A142 A143 M147 S148 C149T85-Q145 HydrophobicContact CG2-CG 4.35Å; V88-Q145 HydrophobicContact CG1-CB 4.04Å; L116-Q145 HydrophobicContact CD2-CB 3.91Å; L116-Q145 HydrophobicContact CD2-CG 4.32Å; K141-Q145 PolarHBondContact O-N 3.14Å; A142-Q145 PolarHBondContact O-N 2.96Å; A143-Q145 VanDerWaalsContact C-N 3.34Å; A143-Q145 PolarHBondContact O-N 3.13Å; Q145-M147 VanDerWaalsContact C-N 3.32Å; Q145-M147 PolarHBondContact O-N 2.94Å; Q145-S148 WeakPolarHBondContact O-CB 3.48Å; Q145-S148 PolarHBondContact O-N 3.39Å; Q145-C149 PolarHBondContact O-N 3.16Å; Q145-C149 PolarHBondContact O-SG 3.28Å
146L96.3Very high93.2Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-64.2-37.7174.6-9160000111.6T113 L116 A142 A143 S148 C149 F150 L172 Q175 L176 I179T113-L146 HydrophobicContact CG2-CD1 3.97Å; T113-L146 HydrophobicContact CG2-CG 4.2Å; L116-L146 HydrophobicContact CD2-CD1 3.81Å; L116-L146 HydrophobicContact CG-CD1 4.46Å; A142-L146 WeakPolarHBondContact O-CD1 3.35Å; A142-L146 PolarHBondContact O-N 3.28Å; A142-L146 VanDerWaalsContact O-N 3.08Å; A143-L146 PolarHBondContact O-N 3.19Å; L146-S148 VanDerWaalsContact C-N 3.35Å; L146-C149 PolarHBondContact O-N 3.19Å; L146-F150 WeakPolarHBondContact O-CB 3.3Å; L146-F150 PolarHBondContact O-N 3.29Å; L146-L172 HydrophobicContact CG-CD2 4.45Å; L146-Q175 HydrophobicContact CD2-CB 3.59Å; L146-L176 HydrophobicContact CB-CD2 3.64Å; L146-L176 HydrophobicContact CB-CG 4.04Å; L146-L176 HydrophobicContact CD2-CD2 4.34Å; L146-L176 HydrophobicContact CD2-CG 4.4Å; L146-I179 HydrophobicContact CD2-CD1 4.06Å
147M95.3Very high92.7Very high36 Ų3645.4 Ų45.418%0.17723%0.23CC..Hα-helixtrans-65.1-37.3175.5-79.5-62.5-73.800112A143 E144 Q145 F150 R151 L176 Y180 L192A143-M147 WeakPolarHBondContact O-CB 3.31Å; A143-M147 VanDerWaalsContact O-CG 3.26Å; A143-M147 WeakPolarHBondContact O-CG 3.27Å; A143-M147 PolarHBondContact O-N 3.45Å; E144-M147 WeakPolarHBondContact O-CB 3.48Å; E144-M147 PolarHBondContact O-N 2.9Å; Q145-M147 VanDerWaalsContact C-N 3.32Å; Q145-M147 PolarHBondContact O-N 2.94Å; M147-F150 WeakPolarHBondContact O-CB 3.17Å; M147-F150 PolarHBondContact O-N 2.87Å; M147-R151 WeakPolarHBondContact O-CG 3.41Å; M147-R151 PolarHBondContact O-N 2.92Å; M147-L176 HydrophobicContact CG-CD1 4.17Å; M147-L176 HydrophobicContact CG-CD2 3.86Å; M147-L176 HydrophobicContact SD-CD1 3.48Å; M147-L176 WeakPolarHBondContact SD-CD1 3.32Å; M147-L176 HydrophobicContact SD-CD2 4.17Å; M147-L176 HydrophobicContact SD-CG 4.44Å; M147-Y180 WeakPolarHBondContact CG-OH 3.37Å; M147-L192 HydrophobicContact CE-CD2 4.29Å; M147-L192 HydrophobicContact SD-CD2 3.77Å
148S94.3Very high91.8Very high42 Ų4252 Ų5229%0.29425%0.252SS..Hα-helixtrans-60.3-47173.5-62.70000111.3E144 Q145 L146 F150 R151 V152E144-S148 PolarHBondContact O-N 3.02Å; E144-S148 PolarHBondContact O-OG 2.84Å; Q145-S148 WeakPolarHBondContact O-CB 3.48Å; Q145-S148 PolarHBondContact O-N 3.39Å; L146-S148 VanDerWaalsContact C-N 3.35Å; S148-F150 VanDerWaalsContact C-N 3.29Å; S148-F150 PolarHBondContact O-N 3.48Å; S148-R151 PolarHBondContact O-N 2.94Å; S148-V152 PolarHBondContact O-N 3.37Å
149C94.6Very high90.8Very high1 Ų151.5 Ų51.51%0.00725%0.252CS..Hα-helixtrans-61.4-38.4174.4-61.60000112.1M109 Q145 L146 V152 C153 L172M109-C149 HydrophobicContact CG-CB 4.5Å; M109-C149 HydrophobicContact SD-CB 4.46Å; Q145-C149 PolarHBondContact O-N 3.16Å; Q145-C149 PolarHBondContact O-SG 3.28Å; L146-C149 PolarHBondContact O-N 3.19Å; C149-V152 PolarHBondContact O-N 2.97Å; C149-C153 PolarHBondContact O-N 3.46Å; C149-C153 VanDerWaalsContact O-N 3.13Å; C149-C153 PolarHBondContact O-SG 2.88Å; C149-L172 HydrophobicContact CB-CD1 3.91Å; C149-L172 HydrophobicContact CB-CD2 4.25Å
150F95.1Very high90Very high13 Ų1353.5 Ų53.56%0.05727%0.273CS..Hα-helixtrans-63.7-42178.3-179.9-90.7000111.7L146 M147 S148 V152 C153 A154 M169 L172 S173 L176 L192 A195L146-F150 WeakPolarHBondContact O-CB 3.3Å; L146-F150 PolarHBondContact O-N 3.29Å; M147-F150 WeakPolarHBondContact O-CB 3.17Å; M147-F150 PolarHBondContact O-N 2.87Å; S148-F150 VanDerWaalsContact C-N 3.29Å; S148-F150 PolarHBondContact O-N 3.48Å; F150-V152 VanDerWaalsContact C-N 3.33Å; F150-V152 PolarHBondContact O-N 2.95Å; F150-C153 PolarHBondContact O-N 3.31Å; F150-A154 HydrophobicContact CE1-CB 4.21Å; F150-A154 WeakPolarHBondContact O-CB 3.48Å; F150-A154 PolarHBondContact O-N 3.13Å; F150-M169 HydrophobicContact CD2-CB 4.38Å; F150-M169 HydrophobicContact CE2-CB 3.84Å; F150-M169 HydrophobicContact CE2-CE 4.07Å; F150-M169 HydrophobicContact CE2-CG 4.15Å; F150-M169 HydrophobicContact CZ-CE 3.72Å; F150-L172 VanDerWaalsContact CA-CD1 3.49Å; F150-L172 HydrophobicContact CB-CB 4.38Å; F150-L172 HydrophobicContact CB-CD1 3.98Å; F150-L172 HydrophobicContact CD2-CB 4.05Å; F150-S173 VanDerWaalsContact CE2-OG 3.26Å; F150-S173 WeakPolarHBondContact CE2-OG 3.38Å; F150-L176 HydrophobicContact CB-CD1 4.46Å; F150-L192 HydrophobicContact CD1-CD2 3.8Å; F150-L192 HydrophobicContact CD2-CD2 4.01Å; F150-L192 HydrophobicContact CE1-CD2 3.63Å; F150-L192 HydrophobicContact CE2-CD2 3.85Å; F150-L192 HydrophobicContact CG-CD2 3.99Å; F150-L192 HydrophobicContact CZ-CD2 3.65Å; F150-A195 HydrophobicContact CE1-CB 4.07Å; F150-A195 HydrophobicContact CZ-CB 3.78Å
151R94Very high89.3Confident172 Ų17255.5 Ų55.565%0.64929%0.285SS*.Hα-helixtrans-61.5-41.3177.3-70.5179.4-157.9-151.27.7111.8M147 S148 C153 A154 S155M147-R151 WeakPolarHBondContact O-CG 3.41Å; M147-R151 PolarHBondContact O-N 2.92Å; S148-R151 PolarHBondContact O-N 2.94Å; R151-C153 VanDerWaalsContact C-N 3.34Å; R151-C153 PolarHBondContact O-N 2.9Å; R151-A154 PolarHBondContact O-N 3.02Å; R151-S155 WeakPolarHBondContact O-CB 3.2Å; R151-S155 PolarHBondContact O-N 3.17Å; R151-S155 PolarHBondContact O-OG 3.31Å
152V92.6Very high88.7Confident15 Ų1556.5 Ų56.59%0.09130%0.295CS..Hα-helixtrans-61-43.1175.6175.10000111.2F93 F96 S148 C149 F150 S155 K165F93-V152 HydrophobicContact CD2-CG2 4.33Å; F93-V152 HydrophobicContact CE2-CG2 3.51Å; F93-V152 HydrophobicContact CZ-CG2 4.04Å; F96-V152 HydrophobicContact CD1-CB 4.12Å; F96-V152 HydrophobicContact CD1-CG1 3.67Å; F96-V152 HydrophobicContact CE1-CB 4.07Å; F96-V152 HydrophobicContact CE1-CG1 3.69Å; S148-V152 PolarHBondContact O-N 3.37Å; C149-V152 PolarHBondContact O-N 2.97Å; F150-V152 VanDerWaalsContact C-N 3.33Å; F150-V152 PolarHBondContact O-N 2.95Å; V152-S155 PolarHBondContact O-OG 3.21Å; V152-K165 HydrophobicContact CG1-CD 4.34Å
153C92.1Very high88.3Confident0 Ų060.6 Ų60.60%032%0.317CS..Hα-helixtrans-66.2-40.7176.2-61.60000112.1C149 F150 R151 D156 K165 K166 M169C149-C153 PolarHBondContact O-N 3.46Å; C149-C153 VanDerWaalsContact O-N 3.13Å; C149-C153 PolarHBondContact O-SG 2.88Å; F150-C153 PolarHBondContact O-N 3.31Å; R151-C153 VanDerWaalsContact C-N 3.34Å; R151-C153 PolarHBondContact O-N 2.9Å; C153-D156 PolarHBondContact O-N 3.03Å; C153-K165 HydrophobicContact CB-CB 4.37Å; C153-K165 WeakPolarHBondContact CB-O 3.26Å; C153-K165 PolarHBondContact SG-O 3.47Å; C153-K166 VanDerWaalsContact O-CG 3.3Å; C153-K166 WeakPolarHBondContact O-CG 3.5Å; C153-M169 HydrophobicContact CB-CG 3.71Å
154A91.2Very high87.9Confident33 Ų3360.7 Ų60.727%0.27332%0.317SS..Hα-helixtrans-72.3-30.3-176.900000113.1F150 R151 D156 M169F150-A154 HydrophobicContact CE1-CB 4.21Å; F150-A154 WeakPolarHBondContact O-CB 3.48Å; F150-A154 PolarHBondContact O-N 3.13Å; R151-A154 PolarHBondContact O-N 3.02Å; A154-D156 VanDerWaalsContact C-N 3.27Å; A154-D156 PolarHBondContact O-N 3.27Å; A154-M169 HydrophobicContact CB-CE 3.97Å; A154-M169 HydrophobicContact CB-SD 4.32Å
155S89.9Confident87.8Confident84 Ų8455.4 Ų55.459%0.58729%0.292SS*.THydrogen-bonded Turntrans-82.1-2.1178.365.40000114R151 V152 N157R151-S155 WeakPolarHBondContact O-CB 3.2Å; R151-S155 PolarHBondContact O-N 3.17Å; R151-S155 PolarHBondContact O-OG 3.31Å; V152-S155 PolarHBondContact O-OG 3.21Å; S155-N157 PolarHBondContact O-N 2.91Å
156D84.9Confident87.6Confident21 Ų2156.5 Ų56.511%0.11230%0.296CS..  trans-78.184.1-178.9-171.925.5000111.8C153 A154 S164 K165 K166C153-D156 PolarHBondContact O-N 3.03Å; A154-D156 VanDerWaalsContact C-N 3.27Å; A154-D156 PolarHBondContact O-N 3.27Å; D156-S164 WeakPolarHBondContact OD2-CA 3.43Å; D156-S164 PolarHBondContact OD2-OG 3.2Å; D156-S164 VanDerWaalsContact OD2-OG 3.13Å; D156-K165 HydrophobicContact CB-CB 4.22Å; D156-K165 PolarHBondContact OD2-N 3.12Å; D156-K166 WeakPolarHBondContact O-CE 3.42Å; D156-K166 PolarHBondContact O-NZ 3.19Å; D156-K166 VanDerWaalsContact O-NZ 3.13Å
157N78.6Confident87.4Confident121 Ų12159.9 Ų59.965%0.64731%0.309SS*.  trans-102.4-6-176.7-68.2-33.5000114.1S155 K166S155-N157 PolarHBondContact O-N 2.91Å; N157-K166 PolarHBondContact OD1-NZ 3.04Å
158R71.3Confident87.3Confident212 Ų21258.3 Ų58.380%0.830%0.302SS*.SBendtrans-100.9-28.5-172.9-63.4-176.2-176.9-176.1-0.3113.2E101E101-R158 HydrophobicContact CG-CB 4.43Å
159A72.7Confident87.3Confident18 Ų1856.5 Ų56.515%0.14929%0.289CS..SBendtrans-64.9149178.300000112.1E101E101-A159 HydrophobicContact CB-CB 4.39Å; E101-A159 HydrophobicContact CG-CB 4.37Å
160G76.8Confident87.4Confident44 Ų4456.7 Ų56.745%0.45429%0.29SS..  trans-56.8158162.400000111D162 D163 S164G160-D162 PolarHBondContact O-N 2.92Å; G160-D163 PolarHBondContact O-N 3.04Å; G160-S164 WeakPolarHBondContact O-CB 3.06Å; G160-S164 PolarHBondContact O-N 3.2Å
161I80.8Confident87.4Confident105 Ų10557.6 Ų57.654%0.53829%0.294SS..THydrogen-bonded Turntrans-55.2-42.8-177.9-77.6168.9000111.4S164 W167 L201I161-S164 PolarHBondContact O-N 2.94Å; I161-W167 PolarHBondContact O-NE1 3.33Å; I161-L201 HydrophobicContact CG2-CD2 3.77Å
162D81.7Confident87.6Confident121 Ų12149.4 Ų49.465%0.64726%0.263SS*.THydrogen-bonded Turntrans-69.6-40-176-63-37.8000111.8N103 G160 S164N103-D162 PolarHBondContact ND2-O 3.44Å; G160-D162 PolarHBondContact O-N 2.92Å; D162-S164 VanDerWaalsContact C-N 3.33Å; D162-S164 PolarHBondContact O-N 2.71Å
163D85.3Confident87.8Confident86 Ų8648.7 Ų48.746%0.4626%0.259SS..THydrogen-bonded Turntrans-90.55.4-178.3-55.3-51.4000113.8E102 N103 G160E102-D163 CarbonylContact C-O 3.59Å; N103-D163 WeakPolarHBondContact CB-O 3.17Å; N103-D163 PolarHBondContact N-O 3.29Å; G160-D163 PolarHBondContact O-N 3.04Å
164S89.7Confident88.1Confident5 Ų548.9 Ų48.94%0.03526%0.26CS..  trans-76.7137.7-175.7-175.50000112.9D156 G160 I161 D162 K166 W167D156-S164 WeakPolarHBondContact OD2-CA 3.43Å; D156-S164 PolarHBondContact OD2-OG 3.2Å; D156-S164 VanDerWaalsContact OD2-OG 3.13Å; G160-S164 WeakPolarHBondContact O-CB 3.06Å; G160-S164 PolarHBondContact O-N 3.2Å; I161-S164 PolarHBondContact O-N 2.94Å; D162-S164 VanDerWaalsContact C-N 3.33Å; D162-S164 PolarHBondContact O-N 2.71Å; S164-K166 PolarHBondContact O-N 3.43Å; S164-K166 VanDerWaalsContact O-N 3.13Å; S164-K166 WeakPolarHBondContact OG-CB 3.47Å; S164-K166 WeakPolarHBondContact OG-CG 3.29Å; S164-K166 PolarHBondContact OG-N 3.11Å; S164-K166 VanDerWaalsContact OG-N 3.12Å; S164-W167 PolarHBondContact O-N 3.21Å
165K91.5Very high88.4Confident10 Ų1047.7 Ų47.74%0.04325%0.249CC..G310 helixtrans-67.1-10.3169.4-65175-171.9170.50113.3F96 H99 E102 L106 V152 C153 D156 W167 G168F96-K165 HydrophobicContact CE1-CD 4.19Å; F96-K165 HydrophobicContact CE2-CD 3.98Å; F96-K165 HydrophobicContact CE2-CG 4.28Å; F96-K165 HydrophobicContact CZ-CB 4.24Å; F96-K165 HydrophobicContact CZ-CD 3.71Å; F96-K165 HydrophobicContact CZ-CG 4.04Å; F96-K165 PolarHBondContact O-NZ 3.33Å; H99-K165 WeakPolarHBondContact O-CE 3.31Å; H99-K165 PolarHBondContact O-NZ 3.47Å; E102-K165 WeakPolarHBondContact O-CE 3.06Å; L106-K165 HydrophobicContact CD2-CB 4.35Å; V152-K165 HydrophobicContact CG1-CD 4.34Å; C153-K165 HydrophobicContact CB-CB 4.37Å; C153-K165 WeakPolarHBondContact CB-O 3.26Å; C153-K165 PolarHBondContact SG-O 3.47Å; D156-K165 HydrophobicContact CB-CB 4.22Å; D156-K165 PolarHBondContact OD2-N 3.12Å; K165-W167 PolarHBondContact O-N 3.1Å; K165-W167 VanDerWaalsContact O-N 3.09Å; K165-G168 PolarHBondContact O-N 2.84Å
166K91.6Very high88.8Confident47 Ų4743.7 Ų43.720%0.20422%0.221CC..G310 helixtrans-58-22174.6-72.4178.3172.1158.30113C153 D156 N157 S164 G168 M169 L201 Y205C153-K166 VanDerWaalsContact O-CG 3.3Å; C153-K166 WeakPolarHBondContact O-CG 3.5Å; D156-K166 WeakPolarHBondContact O-CE 3.42Å; D156-K166 PolarHBondContact O-NZ 3.19Å; D156-K166 VanDerWaalsContact O-NZ 3.13Å; N157-K166 PolarHBondContact OD1-NZ 3.04Å; S164-K166 PolarHBondContact O-N 3.43Å; S164-K166 VanDerWaalsContact O-N 3.13Å; S164-K166 WeakPolarHBondContact OG-CB 3.47Å; S164-K166 WeakPolarHBondContact OG-CG 3.29Å; S164-K166 PolarHBondContact OG-N 3.11Å; S164-K166 VanDerWaalsContact OG-N 3.12Å; K166-G168 PolarHBondContact O-N 2.95Å; K166-M169 HydrophobicContact CB-SD 3.96Å; K166-M169 HydrophobicContact CG-SD 3.83Å; K166-M169 WeakPolarHBondContact O-CB 3.35Å; K166-M169 WeakPolarHBondContact O-CG 3.4Å; K166-M169 PolarHBondContact O-N 3.07Å; K166-M169 VanDerWaalsContact O-N 3.14Å; K166-L201 HydrophobicContact CB-CD1 3.5Å; K166-L201 VanDerWaalsContact CB-CD1 3.5Å; K166-Y205 PolarHBondContact O-OH 3.49Å
167W91.6Very high89.4Confident71 Ų7142.8 Ų42.827%0.26922%0.216SC..G310 helixtrans-58.8-27.2169.7-72111.9000113.3L106 I161 S164 K165 L201 E204 Y205L106-W167 HydrophobicContact CD1-CB 3.62Å; I161-W167 PolarHBondContact O-NE1 3.33Å; S164-W167 PolarHBondContact O-N 3.21Å; K165-W167 PolarHBondContact O-N 3.1Å; K165-W167 VanDerWaalsContact O-N 3.09Å; W167-L201 HydrophobicContact CD2-CD1 3.98Å; W167-L201 HydrophobicContact CE3-CD1 4.48Å; W167-L201 HydrophobicContact CG-CD1 4.11Å; W167-L201 HydrophobicContact CZ2-CD2 4.11Å; W167-E204 HydrophobicContact CH2-CB 3.46Å; W167-E204 VanDerWaalsContact CH2-CB 3.46Å; W167-E204 HydrophobicContact CH2-CG 4.42Å; W167-E204 HydrophobicContact CZ2-CB 4.47Å; W167-E204 HydrophobicContact CZ3-CB 3.76Å; W167-Y205 HydrophobicContact CE3-CD1 4.28Å; W167-Y205 HydrophobicContact CE3-CE1 4.32Å; W167-Y205 WeakPolarHBondContact O-CE1 3.43Å
168G92.9Very high90.2Very high3 Ų340.4 Ų40.43%0.03120%0.2CC..G310 helixtrans-75.9-20.6176.100000115.2K165 K166 M170 F171 L172K165-G168 PolarHBondContact O-N 2.84Å; K166-G168 PolarHBondContact O-N 2.95Å; G168-M170 PolarHBondContact O-N 2.89Å; G168-F171 PolarHBondContact O-N 2.75Å; G168-L172 PolarHBondContact O-N 3.4Å; G168-L172 VanDerWaalsContact O-N 3.11Å
169M94.9Very high91.5Very high5 Ų530.4 Ų30.43%0.02516%0.162CC..Hα-helixtrans-59.3-48.3-171.1-68.8174.667.600112.4F150 C153 A154 K166 F171 L172 S173 A195 I196F150-M169 HydrophobicContact CD2-CB 4.38Å; F150-M169 HydrophobicContact CE2-CB 3.84Å; F150-M169 HydrophobicContact CE2-CE 4.07Å; F150-M169 HydrophobicContact CE2-CG 4.15Å; F150-M169 HydrophobicContact CZ-CE 3.72Å; C153-M169 HydrophobicContact CB-CG 3.71Å; A154-M169 HydrophobicContact CB-CE 3.97Å; A154-M169 HydrophobicContact CB-SD 4.32Å; K166-M169 HydrophobicContact CB-SD 3.96Å; K166-M169 HydrophobicContact CG-SD 3.83Å; K166-M169 WeakPolarHBondContact O-CB 3.35Å; K166-M169 WeakPolarHBondContact O-CG 3.4Å; K166-M169 PolarHBondContact O-N 3.07Å; K166-M169 VanDerWaalsContact O-N 3.14Å; M169-F171 VanDerWaalsContact C-N 3.31Å; M169-F171 PolarHBondContact O-N 3.25Å; M169-L172 PolarHBondContact O-N 3.41Å; M169-S173 WeakPolarHBondContact O-CB 3.43Å; M169-S173 PolarHBondContact O-N 3.02Å; M169-S173 PolarHBondContact O-OG 2.93Å; M169-A195 HydrophobicContact CE-CB 3.84Å; M169-A195 WeakPolarHBondContact CE-O 3.41Å; M169-I196 HydrophobicContact CB-CD1 3.56Å; M169-I196 HydrophobicContact CE-CD1 4.21Å
170M95.4Very high92.6Very high4 Ų430.2 Ų30.22%0.0216%0.158CC..Hα-helixtrans-63-38.8-177.6-174.869.375.300112G168 N174 I196 Y205 Q209 Y213G168-M170 PolarHBondContact O-N 2.89Å; M170-N174 WeakPolarHBondContact O-CB 3.44Å; M170-N174 VanDerWaalsContact O-CG 3.26Å; M170-N174 PolarHBondContact O-N 3.1Å; M170-N174 PolarHBondContact O-ND2 3.03Å; M170-N174 VanDerWaalsContact O-ND2 3.08Å; M170-I196 HydrophobicContact CB-CD1 4.35Å; M170-I196 HydrophobicContact CE-CD1 4.48Å; M170-I196 HydrophobicContact CE-CG2 3.59Å; M170-I196 HydrophobicContact SD-CG2 4.43Å; M170-Y205 HydrophobicContact CB-CD1 3.42Å; M170-Y205 VanDerWaalsContact CB-CD1 3.42Å; M170-Y205 HydrophobicContact CB-CD2 4.12Å; M170-Y205 HydrophobicContact CB-CE1 3.43Å; M170-Y205 VanDerWaalsContact CB-CE1 3.43Å; M170-Y205 HydrophobicContact CB-CE2 4.1Å; M170-Y205 HydrophobicContact CB-CG 3.79Å; M170-Y205 HydrophobicContact CE-CD2 3.31Å; M170-Y205 HydrophobicContact CE-CE2 3.66Å; M170-Y205 HydrophobicContact CE-CG 3.89Å; M170-Y205 HydrophobicContact CG-CD1 4.05Å; M170-Y205 HydrophobicContact CG-CD2 4.3Å; M170-Y205 HydrophobicContact CG-CE1 4.47Å; M170-Y205 HydrophobicContact CG-CG 3.96Å; M170-Q209 HydrophobicContact CG-CB 3.76Å; M170-Y213 HydrophobicContact CE-CD1 4.4Å; M170-Y213 HydrophobicContact CE-CD2 4.36Å; M170-Y213 HydrophobicContact CE-CG 4.18Å; M170-Y213 WeakPolarHBondContact SD-CB 3.34Å; M170-Y213 HydrophobicContact SD-CD1 4.2Å; M170-Y213 HydrophobicContact SD-CD2 3.4Å; M170-Y213 WeakPolarHBondContact SD-CD2 3.29Å; M170-Y213 HydrophobicContact SD-CE2 4.2Å; M170-Y213 HydrophobicContact SD-CG 3.41Å
171F96.4Very high93.5Very high32 Ų3229.5 Ų29.514%0.1414%0.142CC..Hα-helixtrans-62.2-51.4175.8178.1-92.3000110.9M109 S110 L114 G168 M169 S173 N174 Q175M109-F171 HydrophobicContact CE-CD1 4.45Å; S110-F171 VanDerWaalsContact CA-CE1 3.42Å; S110-F171 WeakPolarHBondContact O-CE1 3.47Å; S110-F171 WeakPolarHBondContact O-CZ 3.3Å; L114-F171 HydrophobicContact CB-CZ 4.18Å; G168-F171 PolarHBondContact O-N 2.75Å; M169-F171 VanDerWaalsContact C-N 3.31Å; M169-F171 PolarHBondContact O-N 3.25Å; F171-S173 PolarHBondContact O-N 3.24Å; F171-N174 WeakPolarHBondContact O-CB 3.42Å; F171-N174 PolarHBondContact O-N 3.05Å; F171-Q175 HydrophobicContact CD1-CG 4.09Å; F171-Q175 HydrophobicContact CE1-CG 3.61Å; F171-Q175 VanDerWaalsContact CE2-NE2 3.28Å; F171-Q175 HydrophobicContact CZ-CG 3.92Å; F171-Q175 WeakPolarHBondContact O-CG 3.46Å; F171-Q175 PolarHBondContact O-N 2.92Å
172L97.2Very high94.1Very high0 Ų029 Ų290%014%0.136CC..Hα-helixtrans-62-43.9179.9-70.8173.5000111.7M109 T113 L146 C149 F150 G168 M169 N174 Q175 L176M109-L172 HydrophobicContact CE-CD1 4.03Å; M109-L172 HydrophobicContact CE-CD2 4.2Å; M109-L172 HydrophobicContact CE-CG 3.84Å; M109-L172 HydrophobicContact CG-CD2 4.45Å; M109-L172 HydrophobicContact SD-CD1 3.61Å; M109-L172 HydrophobicContact SD-CD2 4.14Å; M109-L172 HydrophobicContact SD-CG 3.99Å; T113-L172 HydrophobicContact CG2-CD2 4.04Å; L146-L172 HydrophobicContact CG-CD2 4.45Å; C149-L172 HydrophobicContact CB-CD1 3.91Å; C149-L172 HydrophobicContact CB-CD2 4.25Å; F150-L172 VanDerWaalsContact CA-CD1 3.49Å; F150-L172 HydrophobicContact CB-CB 4.38Å; F150-L172 HydrophobicContact CB-CD1 3.98Å; F150-L172 HydrophobicContact CD2-CB 4.05Å; G168-L172 PolarHBondContact O-N 3.4Å; G168-L172 VanDerWaalsContact O-N 3.11Å; M169-L172 PolarHBondContact O-N 3.41Å; L172-N174 VanDerWaalsContact C-N 3.29Å; L172-N174 PolarHBondContact O-N 2.97Å; L172-Q175 PolarHBondContact O-N 3.32Å; L172-Q175 VanDerWaalsContact O-N 3.09Å; L172-L176 WeakPolarHBondContact O-CB 3.46Å; L172-L176 VanDerWaalsContact O-CG 3.31Å; L172-L176 WeakPolarHBondContact O-CG 3.16Å; L172-L176 PolarHBondContact O-N 3.34Å
173S97.3Very high94.7Very high0 Ų024.6 Ų24.60%011%0.112CC..Hα-helixtrans-56.6-43.3174.2-61.10000111.7F150 M169 F171 Q175 L176 F177F150-S173 VanDerWaalsContact CE2-OG 3.26Å; F150-S173 WeakPolarHBondContact CE2-OG 3.38Å; M169-S173 WeakPolarHBondContact O-CB 3.43Å; M169-S173 PolarHBondContact O-N 3.02Å; M169-S173 PolarHBondContact O-OG 2.93Å; F171-S173 PolarHBondContact O-N 3.24Å; S173-Q175 VanDerWaalsContact C-N 3.34Å; S173-Q175 PolarHBondContact O-N 3.22Å; S173-L176 PolarHBondContact O-N 3.06Å; S173-F177 WeakPolarHBondContact O-CB 3.44Å; S173-F177 WeakPolarHBondContact O-CD2 3.09Å; S173-F177 WeakPolarHBondContact O-CG 3.15Å; S173-F177 PolarHBondContact O-N 3.07Å
174N97.6Very high95Very high5 Ų526.7 Ų26.73%0.02712%0.124CC..Hα-helixtrans-64.5-35.5176.6-77.1-34.8000113.3M170 F171 L172 K178 Q209 T212 Y213M170-N174 WeakPolarHBondContact O-CB 3.44Å; M170-N174 VanDerWaalsContact O-CG 3.26Å; M170-N174 PolarHBondContact O-N 3.1Å; M170-N174 PolarHBondContact O-ND2 3.03Å; M170-N174 VanDerWaalsContact O-ND2 3.08Å; F171-N174 WeakPolarHBondContact O-CB 3.42Å; F171-N174 PolarHBondContact O-N 3.05Å; L172-N174 VanDerWaalsContact C-N 3.29Å; L172-N174 PolarHBondContact O-N 2.97Å; N174-K178 WeakPolarHBondContact O-CG 3.31Å; N174-K178 PolarHBondContact O-N 3.31Å; N174-Q209 PolarHBondContact ND2-O 3.08Å; N174-T212 HydrophobicContact CB-CG2 3.94Å; N174-Y213 WeakPolarHBondContact OD1-CA 3.33Å; N174-Y213 PolarHBondContact OD1-N 3.07Å
175Q97.8Very high95.2Very high8 Ų829.8 Ų29.84%0.03714%0.136CC..Hα-helixtrans-69.6-42.8173.7-57.2-48-39.200111.4R117 L146 F171 L172 S173 K178 I179R117-Q175 VanDerWaalsContact CZ-OE1 3.31Å; L146-Q175 HydrophobicContact CD2-CB 3.59Å; F171-Q175 HydrophobicContact CD1-CG 4.09Å; F171-Q175 HydrophobicContact CE1-CG 3.61Å; F171-Q175 VanDerWaalsContact CE2-NE2 3.28Å; F171-Q175 HydrophobicContact CZ-CG 3.92Å; F171-Q175 WeakPolarHBondContact O-CG 3.46Å; F171-Q175 PolarHBondContact O-N 2.92Å; L172-Q175 PolarHBondContact O-N 3.32Å; L172-Q175 VanDerWaalsContact O-N 3.09Å; S173-Q175 VanDerWaalsContact C-N 3.34Å; S173-Q175 PolarHBondContact O-N 3.22Å; Q175-K178 WeakPolarHBondContact O-CB 3.17Å; Q175-K178 PolarHBondContact O-N 3.41Å; Q175-I179 PolarHBondContact O-N 3.1Å
176L97.9Very high95.3Very high0 Ų030.8 Ų30.80%014%0.142CC..Hα-helixtrans-64.2-41.7177.9-72.2163.6000111.8A143 L146 M147 F150 L172 S173 K178 I179 Y180 L192A143-L176 HydrophobicContact CB-CD2 3.94Å; A143-L176 WeakPolarHBondContact O-CD2 3.16Å; L146-L176 HydrophobicContact CB-CD2 3.64Å; L146-L176 HydrophobicContact CB-CG 4.04Å; L146-L176 HydrophobicContact CD2-CD2 4.34Å; L146-L176 HydrophobicContact CD2-CG 4.4Å; M147-L176 HydrophobicContact CG-CD1 4.17Å; M147-L176 HydrophobicContact CG-CD2 3.86Å; M147-L176 HydrophobicContact SD-CD1 3.48Å; M147-L176 WeakPolarHBondContact SD-CD1 3.32Å; M147-L176 HydrophobicContact SD-CD2 4.17Å; M147-L176 HydrophobicContact SD-CG 4.44Å; F150-L176 HydrophobicContact CB-CD1 4.46Å; L172-L176 WeakPolarHBondContact O-CB 3.46Å; L172-L176 VanDerWaalsContact O-CG 3.31Å; L172-L176 WeakPolarHBondContact O-CG 3.16Å; L172-L176 PolarHBondContact O-N 3.34Å; S173-L176 PolarHBondContact O-N 3.06Å; L176-K178 VanDerWaalsContact C-N 3.31Å; L176-K178 PolarHBondContact O-N 3.12Å; L176-I179 CarbonylContact O-C 3.48Å; L176-I179 WeakPolarHBondContact O-CA 3.38Å; L176-I179 WeakPolarHBondContact O-CB 3.46Å; L176-I179 PolarHBondContact O-N 2.9Å; L176-Y180 HydrophobicContact CB-CD2 4.35Å; L176-Y180 HydrophobicContact CB-CE2 3.99Å; L176-Y180 HydrophobicContact CD2-CE2 4.41Å; L176-Y180 WeakPolarHBondContact O-CD2 3.44Å; L176-Y180 VanDerWaalsContact O-CG 3.3Å; L176-Y180 PolarHBondContact O-N 2.98Å; L176-L192 HydrophobicContact CB-CD1 3.66Å; L176-L192 HydrophobicContact CD1-CD1 3.82Å; L176-L192 HydrophobicContact CD1-CD2 3.87Å; L176-L192 HydrophobicContact CG-CD1 4.38Å
177F97.9Very high95.4Very high2 Ų234.4 Ų34.41%0.00916%0.159CC..Hα-helixtrans-59.2-41.5173.5-66.3-23.9000112.2S173 I179 Y180 F181 C189 L192 I193 Y213 Y216 V217S173-F177 WeakPolarHBondContact O-CB 3.44Å; S173-F177 WeakPolarHBondContact O-CD2 3.09Å; S173-F177 WeakPolarHBondContact O-CG 3.15Å; S173-F177 PolarHBondContact O-N 3.07Å; F177-I179 PolarHBondContact O-N 3.23Å; F177-Y180 PolarHBondContact O-N 3.38Å; F177-F181 HydrophobicContact CB-CD2 4.39Å; F177-F181 WeakPolarHBondContact O-CB 3.25Å; F177-F181 VanDerWaalsContact O-CD2 3.27Å; F177-F181 WeakPolarHBondContact O-CD2 3.43Å; F177-F181 PolarHBondContact O-N 3.09Å; F177-C189 HydrophobicContact CD1-CB 3.99Å; F177-C189 VanDerWaalsContact CD1-SG 3.54Å; F177-C189 HydrophobicContact CE1-CB 3.66Å; F177-L192 HydrophobicContact CD1-CD1 4.13Å; F177-L192 HydrophobicContact CE1-CB 4.01Å; F177-L192 HydrophobicContact CE1-CD1 3.84Å; F177-L192 HydrophobicContact CZ-CB 4.31Å; F177-I193 HydrophobicContact CE1-CG1 4.4Å; F177-I193 HydrophobicContact CZ-CG1 3.89Å; F177-Y213 AromaticContact CE2-CD2 3.55Å; F177-Y213 HydrophobicContact CE2-CD2 3.55Å; F177-Y213 AromaticContact CE2-CE2 3.81Å; F177-Y213 HydrophobicContact CE2-CE2 3.81Å; F177-Y213 HydrophobicContact CE2-CG 4.46Å; F177-Y213 HydrophobicContact CZ-CD2 4.19Å; F177-Y213 AromaticContact CZ-CE2 3.98Å; F177-Y213 HydrophobicContact CZ-CE2 3.98Å; F177-Y216 HydrophobicContact CB-CD1 3.94Å; F177-Y216 HydrophobicContact CB-CD2 3.76Å; F177-Y216 HydrophobicContact CB-CE1 4.45Å; F177-Y216 HydrophobicContact CB-CE2 4.33Å; F177-Y216 HydrophobicContact CB-CG 3.58Å; F177-Y216 VanDerWaalsContact CD2-CB 3.49Å; F177-Y216 HydrophobicContact CD2-CD2 4.11Å; F177-Y216 HydrophobicContact CD2-CG 4.02Å; F177-Y216 HydrophobicContact CG-CD2 4.43Å; F177-Y216 HydrophobicContact CG-CG 4.15Å; F177-V217 HydrophobicContact CE2-CG2 4.05Å; F177-V217 HydrophobicContact CZ-CG2 4.17Å
178K97.1Very high95.5Very high71 Ų7133.8 Ų33.831%0.30916%0.161SC..Hα-helixtrans-59.3-35.7175.3-74.7169.1-175.9-179.30112.2N174 Q175 L176 K182 Y216N174-K178 WeakPolarHBondContact O-CG 3.31Å; N174-K178 PolarHBondContact O-N 3.31Å; Q175-K178 WeakPolarHBondContact O-CB 3.17Å; Q175-K178 PolarHBondContact O-N 3.41Å; L176-K178 VanDerWaalsContact C-N 3.31Å; L176-K178 PolarHBondContact O-N 3.12Å; K178-K182 WeakPolarHBondContact O-CB 3.36Å; K178-Y216 HydrophobicContact CG-CE2 3.87Å; K178-Y216 WeakPolarHBondContact CG-OH 3.44Å
179I96.8Very high95.7Very high2 Ų233.7 Ų33.71%0.0116%0.16CC..Hα-helixtrans-72.5-56.8174.7-64.2170.7000110.5R117 L139 A143 L146 Q175 L176 F177 F181 K182 I183R117-I179 HydrophobicContact CG-CD1 4.04Å; R117-I179 HydrophobicContact CG-CG1 3.84Å; L139-I179 HydrophobicContact CB-CG2 3.88Å; L139-I179 HydrophobicContact CD2-CG1 4.33Å; L139-I179 WeakPolarHBondContact O-CG2 3.46Å; A143-I179 HydrophobicContact CB-CD1 3.94Å; A143-I179 HydrophobicContact CB-CG2 3.93Å; L146-I179 HydrophobicContact CD2-CD1 4.06Å; Q175-I179 PolarHBondContact O-N 3.1Å; L176-I179 CarbonylContact O-C 3.48Å; L176-I179 WeakPolarHBondContact O-CA 3.38Å; L176-I179 WeakPolarHBondContact O-CB 3.46Å; L176-I179 PolarHBondContact O-N 2.9Å; F177-I179 PolarHBondContact O-N 3.23Å; I179-F181 VanDerWaalsContact C-N 3.32Å; I179-F181 PolarHBondContact O-N 3.41Å; I179-K182 WeakPolarHBondContact O-CA 3.38Å; I179-K182 WeakPolarHBondContact O-CB 3.18Å; I179-K182 PolarHBondContact O-N 2.94Å; I179-I183 HydrophobicContact CG2-CD1 4.21Å; I179-I183 HydrophobicContact CG2-CG2 4.45Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 3.18Å
180Y97Very high95.7Very high13 Ų1338.2 Ų38.25%0.05118%0.179CC..Hα-helixtrans-60.6-36.5-173.2-63.9-23.8000113.9A143 M147 L176 F177 K182 I183 N184 K185 L188 L192A143-Y180 HydrophobicContact CB-CE1 3.77Å; M147-Y180 WeakPolarHBondContact CG-OH 3.37Å; L176-Y180 HydrophobicContact CB-CD2 4.35Å; L176-Y180 HydrophobicContact CB-CE2 3.99Å; L176-Y180 HydrophobicContact CD2-CE2 4.41Å; L176-Y180 WeakPolarHBondContact O-CD2 3.44Å; L176-Y180 VanDerWaalsContact O-CG 3.3Å; L176-Y180 PolarHBondContact O-N 2.98Å; F177-Y180 PolarHBondContact O-N 3.38Å; Y180-K182 VanDerWaalsContact C-N 3.34Å; Y180-I183 HydrophobicContact CD1-CD1 4.08Å; Y180-N184 PolarHBondContact O-N 2.91Å; Y180-N184 VanDerWaalsContact O-N 3.08Å; Y180-K185 PolarHBondContact O-N 2.59Å; Y180-L188 HydrophobicContact CD1-CB 4.26Å; Y180-L188 HydrophobicContact CD1-CD1 3.9Å; Y180-L188 HydrophobicContact CD2-CB 3.74Å; Y180-L188 HydrophobicContact CE1-CB 4.15Å; Y180-L188 HydrophobicContact CE1-CD1 3.63Å; Y180-L188 HydrophobicContact CE2-CB 3.58Å; Y180-L188 HydrophobicContact CG-CB 4.08Å; Y180-L188 HydrophobicContact CG-CD1 4.5Å; Y180-L192 HydrophobicContact CD2-CD1 4.33Å; Y180-L192 HydrophobicContact CE2-CD1 3.82Å
181F95.3Very high95.7Very high29 Ų2941.6 Ų41.613%0.12720%0.202CC..Hα-helixtrans-70.1-30.3172.5-84.8-98.1000112.8F177 I179 L186 Y216 R219 K220 F223F177-F181 HydrophobicContact CB-CD2 4.39Å; F177-F181 WeakPolarHBondContact O-CB 3.25Å; F177-F181 VanDerWaalsContact O-CD2 3.27Å; F177-F181 WeakPolarHBondContact O-CD2 3.43Å; F177-F181 PolarHBondContact O-N 3.09Å; I179-F181 VanDerWaalsContact C-N 3.32Å; I179-F181 PolarHBondContact O-N 3.41Å; F181-L186 HydrophobicContact CB-CD2 4.4Å; F181-L186 HydrophobicContact CD1-CD2 3.54Å; F181-L186 HydrophobicContact CD2-CD2 3.86Å; F181-L186 HydrophobicContact CE1-CD2 3.66Å; F181-L186 HydrophobicContact CE2-CD2 3.96Å; F181-L186 HydrophobicContact CG-CD2 3.68Å; F181-L186 HydrophobicContact CZ-CD2 3.88Å; F181-Y216 HydrophobicContact CB-CE1 4.25Å; F181-Y216 HydrophobicContact CD1-CD1 4.36Å; F181-Y216 AromaticContact CD2-CD1 3.44Å; F181-Y216 HydrophobicContact CD2-CD1 3.44Å; F181-Y216 VanDerWaalsContact CD2-CD1 3.44Å; F181-Y216 AromaticContact CD2-CE1 3.96Å; F181-Y216 HydrophobicContact CD2-CE1 3.96Å; F181-Y216 HydrophobicContact CD2-CG 4.39Å; F181-Y216 HydrophobicContact CE1-CD1 4.42Å; F181-Y216 AromaticContact CE2-CD1 3.53Å; F181-Y216 HydrophobicContact CE2-CD1 3.53Å; F181-Y216 HydrophobicContact CE2-CE1 4.47Å; F181-Y216 HydrophobicContact CE2-CG 4.21Å; F181-Y216 AromaticContact CG-CD1 3.86Å; F181-Y216 HydrophobicContact CG-CD1 3.86Å; F181-Y216 HydrophobicContact CG-CE1 4.03Å; F181-Y216 HydrophobicContact CZ-CD1 4.03Å; F181-Y216 VanDerWaalsContact CZ-O 3.29Å; F181-Y216 WeakPolarHBondContact CZ-O 3.48Å; F181-R219 VanDerWaalsContact CD1-CZ 3.48Å; F181-R219 HydrophobicContact CE1-CB 3.77Å; F181-R219 HydrophobicContact CZ-CB 3.99Å; F181-K220 HydrophobicContact CZ-CB 4.14Å; F181-F223 HydrophobicContact CE1-CD2 4.29Å; F181-F223 AromaticContact CE1-CE2 4Å; F181-F223 HydrophobicContact CE1-CE2 4Å
182K93.5Very high95.7Very high96 Ų9640.1 Ų40.142%0.41720%0.195SC..Hα-helixtrans-75.1-38.2177.8-176.9174.1166.4-161.70111.8N121 E124 L139 K178 I179 Y180 N184N121-K182 WeakPolarHBondContact OD1-CD 3.41Å; N121-K182 PolarHBondContact OD1-NZ 2.88Å; E124-K182 IonicContact OE2-NZ 3.57Å; E124-K182 PolarHBondContact OE2-NZ 3.26Å; L139-K182 HydrophobicContact CD1-CD 3.59Å; L139-K182 HydrophobicContact CD1-CG 4.08Å; K178-K182 WeakPolarHBondContact O-CB 3.36Å; I179-K182 WeakPolarHBondContact O-CA 3.38Å; I179-K182 WeakPolarHBondContact O-CB 3.18Å; I179-K182 PolarHBondContact O-N 2.94Å; Y180-K182 VanDerWaalsContact C-N 3.34Å; K182-N184 VanDerWaalsContact C-N 3.31Å
183I94.1Very high95.6Very high28 Ų2841 Ų4114%0.14420%0.2CC..THydrogen-bonded Turntrans-88.14.817768.1174.5000113.5L139 E140 I179 Y180 K185L139-I183 HydrophobicContact CB-CG2 3.93Å; L139-I183 HydrophobicContact CD1-CG2 4.04Å; E140-I183 HydrophobicContact CG-CD1 3.52Å; I179-I183 HydrophobicContact CG2-CD1 4.21Å; I179-I183 HydrophobicContact CG2-CG2 4.45Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 3.18Å; Y180-I183 HydrophobicContact CD1-CD1 4.08Å; I183-K185 VanDerWaalsContact C-N 3.28Å; I183-K185 HydrophobicContact CD1-CB 4.02Å; I183-K185 HydrophobicContact CD1-CD 3.82Å; I183-K185 HydrophobicContact CD1-CG 3.97Å; I183-K185 HydrophobicContact CG1-CB 3.98Å; I183-K185 HydrophobicContact CG1-CD 4.4Å; I183-K185 HydrophobicContact CG1-CG 4.02Å; I183-K185 PolarHBondContact O-N 3.17Å
184N92.3Very high95.5Very high130 Ų13049.8 Ų49.870%0.69523%0.233SC*.THydrogen-bonded Turntrans57.129.7-178.6-158.730.8000115.6Y180 K182Y180-N184 PolarHBondContact O-N 2.91Å; Y180-N184 VanDerWaalsContact O-N 3.08Å; K182-N184 VanDerWaalsContact C-N 3.31Å
185K93.9Very high95.3Very high70 Ų7050.6 Ų50.630%0.30424%0.241SC..  trans-101.860.6176.3-67.4-170.8176.1173.20111.8E140 Y180 I183 H187 L188E140-K185 WeakPolarHBondContact OE1-CE 3.3Å; E140-K185 IonicContact OE1-NZ 3.93Å; E140-K185 PolarHBondContact OE1-NZ 3.09Å; E140-K185 IonicContact OE2-NZ 2.68Å; E140-K185 PolarHBondContact OE2-NZ 3Å; Y180-K185 PolarHBondContact O-N 2.59Å; I183-K185 VanDerWaalsContact C-N 3.28Å; I183-K185 HydrophobicContact CD1-CB 4.02Å; I183-K185 HydrophobicContact CD1-CD 3.82Å; I183-K185 HydrophobicContact CD1-CG 3.97Å; I183-K185 HydrophobicContact CG1-CB 3.98Å; I183-K185 HydrophobicContact CG1-CD 4.4Å; I183-K185 HydrophobicContact CG1-CG 4.02Å; I183-K185 PolarHBondContact O-N 3.17Å; K185-H187 VanDerWaalsContact C-N 3.27Å; K185-H187 PolarHBondContact O-N 2.84Å; K185-L188 HydrophobicContact CB-CD1 3.79Å; K185-L188 HydrophobicContact CB-CG 4.23Å; K185-L188 HydrophobicContact CD-CD1 4.09Å; K185-L188 WeakPolarHBondContact O-CB 3.48Å; K185-L188 PolarHBondContact O-N 3.33Å
186L93.4Very high95.1Very high31 Ų3150.3 Ų50.316%0.16224%0.239CC..G310 helixtrans-64-26.5-172.7-58.3-175.3000114.5F181 L188 C189 F223F181-L186 HydrophobicContact CB-CD2 4.4Å; F181-L186 HydrophobicContact CD1-CD2 3.54Å; F181-L186 HydrophobicContact CD2-CD2 3.86Å; F181-L186 HydrophobicContact CE1-CD2 3.66Å; F181-L186 HydrophobicContact CE2-CD2 3.96Å; F181-L186 HydrophobicContact CG-CD2 3.68Å; F181-L186 HydrophobicContact CZ-CD2 3.88Å; L186-L188 PolarHBondContact O-N 3.22Å; L186-C189 VanDerWaalsContact O-CB 3.28Å; L186-C189 WeakPolarHBondContact O-CB 3.34Å; L186-C189 PolarHBondContact O-N 3.2Å; L186-F223 HydrophobicContact CD1-CB 4.29Å; L186-F223 HydrophobicContact CD1-CD2 3.63Å; L186-F223 HydrophobicContact CD1-CE2 4.26Å; L186-F223 HydrophobicContact CD1-CG 4.15Å
187H92.7Very high94.7Very high122 Ų12254.4 Ų54.457%0.56526%0.261SS*.G310 helixtrans-59.9-30178.564.9-87.1000112.5K185 C189 K190K185-H187 VanDerWaalsContact C-N 3.27Å; K185-H187 PolarHBondContact O-N 2.84Å; H187-C189 PolarHBondContact O-N 2.88Å; H187-K190 PolarHBondContact O-N 3.28Å
188L95.4Very high94.3Very high59 Ų5958.8 Ų58.831%0.30929%0.292SS..G310 helixtrans-68.4-11.9177.2-60.6177.7000113.7Y180 K185 L186 P191Y180-L188 HydrophobicContact CD1-CB 4.26Å; Y180-L188 HydrophobicContact CD1-CD1 3.9Å; Y180-L188 HydrophobicContact CD2-CB 3.74Å; Y180-L188 HydrophobicContact CE1-CB 4.15Å; Y180-L188 HydrophobicContact CE1-CD1 3.63Å; Y180-L188 HydrophobicContact CE2-CB 3.58Å; Y180-L188 HydrophobicContact CG-CB 4.08Å; Y180-L188 HydrophobicContact CG-CD1 4.5Å; K185-L188 HydrophobicContact CB-CD1 3.79Å; K185-L188 HydrophobicContact CB-CG 4.23Å; K185-L188 HydrophobicContact CD-CD1 4.09Å; K185-L188 WeakPolarHBondContact O-CB 3.48Å; K185-L188 PolarHBondContact O-N 3.33Å; L186-L188 PolarHBondContact O-N 3.22Å; L188-P191 WeakPolarHBondContact O-CD 3.23Å
189C96.3Very high93.9Very high1 Ų156 Ų561%0.00728%0.281CS..Hα-helixtrans-75.6-26.2175.1-61.40000112.2F177 L186 H187 L192 I193 K220F177-C189 HydrophobicContact CD1-CB 3.99Å; F177-C189 VanDerWaalsContact CD1-SG 3.54Å; F177-C189 HydrophobicContact CE1-CB 3.66Å; L186-C189 VanDerWaalsContact O-CB 3.28Å; L186-C189 WeakPolarHBondContact O-CB 3.34Å; L186-C189 PolarHBondContact O-N 3.2Å; H187-C189 PolarHBondContact O-N 2.88Å; C189-L192 PolarHBondContact O-N 3.26Å; C189-I193 HydrophobicContact CB-CD1 4.25Å; C189-I193 VanDerWaalsContact O-CG1 3.3Å; C189-I193 WeakPolarHBondContact O-CG1 3.29Å; C189-I193 PolarHBondContact O-N 3.47Å; C189-K220 HydrophobicContact CB-CD 3.96Å
190K94.6Very high93.3Very high100 Ų10062.9 Ų62.944%0.43532%0.318SS..Hα-helixtrans-58.6-46.3-174.6-70.6-177.9177.5178.20113.2H187 L192 I193 R194 K220H187-K190 PolarHBondContact O-N 3.28Å; K190-L192 VanDerWaalsContact C-N 3.33Å; K190-L192 PolarHBondContact O-N 2.79Å; K190-I193 PolarHBondContact O-N 3.38Å; K190-R194 WeakPolarHBondContact O-CG 3.15Å; K190-R194 PolarHBondContact O-N 3.48Å; K190-R194 VanDerWaalsContact O-N 3.08Å; K190-K220 VanDerWaalsContact CG-CE 3.48Å
191P95.4Very high92.7Very high75 Ų7562.6 Ų62.649%0.48732%0.318SS..Hα-helixtrans-62.7-37.8177.9-23.635.2000113.4L188 R194 A195L188-P191 WeakPolarHBondContact O-CD 3.23Å; P191-R194 PolarHBondContact O-N 3.07Å; P191-A195 WeakPolarHBondContact O-CB 3.4Å; P191-A195 PolarHBondContact O-N 3.3Å; P191-A195 VanDerWaalsContact O-N 3.07Å
192L96.2Very high91.9Very high0 Ų066.4 Ų66.40%033%0.334CS..Hα-helixtrans-64.8-45.1178.1-61.9177000111.5M147 F150 L176 F177 Y180 C189 K190 A195 I196M147-L192 HydrophobicContact CE-CD2 4.29Å; M147-L192 HydrophobicContact SD-CD2 3.77Å; F150-L192 HydrophobicContact CD1-CD2 3.8Å; F150-L192 HydrophobicContact CD2-CD2 4.01Å; F150-L192 HydrophobicContact CE1-CD2 3.63Å; F150-L192 HydrophobicContact CE2-CD2 3.85Å; F150-L192 HydrophobicContact CG-CD2 3.99Å; F150-L192 HydrophobicContact CZ-CD2 3.65Å; L176-L192 HydrophobicContact CB-CD1 3.66Å; L176-L192 HydrophobicContact CD1-CD1 3.82Å; L176-L192 HydrophobicContact CD1-CD2 3.87Å; L176-L192 HydrophobicContact CG-CD1 4.38Å; F177-L192 HydrophobicContact CD1-CD1 4.13Å; F177-L192 HydrophobicContact CE1-CB 4.01Å; F177-L192 HydrophobicContact CE1-CD1 3.84Å; F177-L192 HydrophobicContact CZ-CB 4.31Å; Y180-L192 HydrophobicContact CD2-CD1 4.33Å; Y180-L192 HydrophobicContact CE2-CD1 3.82Å; C189-L192 PolarHBondContact O-N 3.26Å; K190-L192 VanDerWaalsContact C-N 3.33Å; K190-L192 PolarHBondContact O-N 2.79Å; L192-A195 PolarHBondContact O-N 3.49Å; L192-I196 WeakPolarHBondContact O-CG1 3.36Å; L192-I196 PolarHBondContact O-N 3.03Å; L192-I196 VanDerWaalsContact O-N 3.11Å
193I95.6Very high91.4Very high20 Ų2067 Ų6710%0.10334%0.342CS..Hα-helixtrans-59.3-50177.5-67.2163.6000110F177 C189 K190 A195 I196 D197 Y213 V217 K220F177-I193 HydrophobicContact CE1-CG1 4.4Å; F177-I193 HydrophobicContact CZ-CG1 3.89Å; C189-I193 HydrophobicContact CB-CD1 4.25Å; C189-I193 VanDerWaalsContact O-CG1 3.3Å; C189-I193 WeakPolarHBondContact O-CG1 3.29Å; C189-I193 PolarHBondContact O-N 3.47Å; K190-I193 PolarHBondContact O-N 3.38Å; I193-A195 VanDerWaalsContact C-N 3.32Å; I193-A195 PolarHBondContact O-N 2.98Å; I193-I196 PolarHBondContact O-N 3.42Å; I193-D197 VanDerWaalsContact CG2-OD2 3.26Å; I193-D197 WeakPolarHBondContact CG2-OD2 3.05Å; I193-D197 WeakPolarHBondContact O-CB 3.28Å; I193-D197 VanDerWaalsContact O-CG 3.26Å; I193-D197 PolarHBondContact O-N 3.5Å; I193-Y213 WeakPolarHBondContact CA-OH 3.39Å; I193-V217 HydrophobicContact CD1-CG1 4.03Å; I193-V217 HydrophobicContact CD1-CG2 3.98Å; I193-V217 HydrophobicContact CG1-CG1 4.4Å; I193-V217 HydrophobicContact CG1-CG2 3.79Å; I193-K220 HydrophobicContact CD1-CD 3.69Å
194R94.5Very high91.1Very high183 Ų18371.7 Ų71.769%0.69136%0.363SS*.Hα-helixtrans-56.9-44.6179.2-73.1177.1-179.9174.1-1.8112.5K190 P191 I196 D197 S198K190-R194 WeakPolarHBondContact O-CG 3.15Å; K190-R194 PolarHBondContact O-N 3.48Å; K190-R194 VanDerWaalsContact O-N 3.08Å; P191-R194 PolarHBondContact O-N 3.07Å; R194-I196 PolarHBondContact O-N 3.08Å; R194-D197 PolarHBondContact O-N 3.05Å; R194-S198 WeakPolarHBondContact O-CB 3.42Å; R194-S198 PolarHBondContact O-N 3.44Å; R194-S198 PolarHBondContact O-OG 3.25Å; R194-S198 VanDerWaalsContact O-OG 3.07Å
195A93.6Very high91.1Very high23 Ų2365.7 Ų65.719%0.1933%0.331CS..Hα-helixtrans-67.4-33.7-178.900000113.3F150 M169 P191 L192 I193 S198 S199F150-A195 HydrophobicContact CE1-CB 4.07Å; F150-A195 HydrophobicContact CZ-CB 3.78Å; M169-A195 HydrophobicContact CE-CB 3.84Å; M169-A195 WeakPolarHBondContact CE-O 3.41Å; P191-A195 WeakPolarHBondContact O-CB 3.4Å; P191-A195 PolarHBondContact O-N 3.3Å; P191-A195 VanDerWaalsContact O-N 3.07Å; L192-A195 PolarHBondContact O-N 3.49Å; I193-A195 VanDerWaalsContact C-N 3.32Å; I193-A195 PolarHBondContact O-N 2.98Å; A195-S198 PolarHBondContact O-OG 3.25Å; A195-S198 VanDerWaalsContact O-OG 3.13Å; A195-S199 PolarHBondContact O-N 3.33Å
196I93.4Very high91Very high2 Ų264.8 Ų64.81%0.0133%0.333CS..Hα-helixtrans-73.9-43.9174.2-66.7-68.5000110.9M169 M170 L192 I193 R194 S198 S199 Y213M169-I196 HydrophobicContact CB-CD1 3.56Å; M169-I196 HydrophobicContact CE-CD1 4.21Å; M170-I196 HydrophobicContact CB-CD1 4.35Å; M170-I196 HydrophobicContact CE-CD1 4.48Å; M170-I196 HydrophobicContact CE-CG2 3.59Å; M170-I196 HydrophobicContact SD-CG2 4.43Å; L192-I196 WeakPolarHBondContact O-CG1 3.36Å; L192-I196 PolarHBondContact O-N 3.03Å; L192-I196 VanDerWaalsContact O-N 3.11Å; I193-I196 PolarHBondContact O-N 3.42Å; R194-I196 PolarHBondContact O-N 3.08Å; I196-S198 VanDerWaalsContact C-N 3.26Å; I196-S198 PolarHBondContact O-N 3.09Å; I196-S199 VanDerWaalsContact O-CB 3.3Å; I196-S199 WeakPolarHBondContact O-CB 3.47Å; I196-S199 PolarHBondContact O-N 3.37Å; I196-Y213 HydrophobicContact CB-CE2 4.11Å; I196-Y213 HydrophobicContact CG1-CE2 4.08Å; I196-Y213 HydrophobicContact CG2-CE1 4.32Å; I196-Y213 HydrophobicContact CG2-CE2 3.98Å
197D90.5Very high90.9Very high86 Ų8666.9 Ų66.946%0.4635%0.349SS..Hα-helixtrans-67-30-178.2-68-16000112I193 R194 S199 Y213I193-D197 VanDerWaalsContact CG2-OD2 3.26Å; I193-D197 WeakPolarHBondContact CG2-OD2 3.05Å; I193-D197 WeakPolarHBondContact O-CB 3.28Å; I193-D197 VanDerWaalsContact O-CG 3.26Å; I193-D197 PolarHBondContact O-N 3.5Å; R194-D197 PolarHBondContact O-N 3.05Å; D197-S199 VanDerWaalsContact C-N 3.31Å; D197-Y213 PolarHBondContact OD1-OH 3.25Å
198S89.6Confident91Very high94 Ų9464.4 Ų64.466%0.65735%0.349SS*.THydrogen-bonded Turntrans-80.1-7.3172.667.40000114.2R194 A195 I196R194-S198 WeakPolarHBondContact O-CB 3.42Å; R194-S198 PolarHBondContact O-N 3.44Å; R194-S198 PolarHBondContact O-OG 3.25Å; R194-S198 VanDerWaalsContact O-OG 3.07Å; A195-S198 PolarHBondContact O-OG 3.25Å; A195-S198 VanDerWaalsContact O-OG 3.13Å; I196-S198 VanDerWaalsContact C-N 3.26Å; I196-S198 PolarHBondContact O-N 3.09Å
199S87.9Confident91Very high11 Ų1163.8 Ų63.88%0.07735%0.345CS..SBendtrans-84.2139.8-178.6-178.70000111.7A195 I196 D197 L201 K202A195-S199 PolarHBondContact O-N 3.33Å; I196-S199 VanDerWaalsContact O-CB 3.3Å; I196-S199 WeakPolarHBondContact O-CB 3.47Å; I196-S199 PolarHBondContact O-N 3.37Å; D197-S199 VanDerWaalsContact C-N 3.31Å; S199-L201 PolarHBondContact O-N 3.25Å; S199-L201 PolarHBondContact OG-N 3.29Å; S199-K202 PolarHBondContact O-N 3.36Å
200N84.6Confident90.9Very high148 Ų14865.7 Ų65.779%0.79135%0.353SS*.THydrogen-bonded Turntrans-66-16.9174.8-62-12.1000112.4
201L84.1Confident91Very high7 Ų761.7 Ų61.74%0.03734%0.337CS..THydrogen-bonded Turntrans-87.4-0.6-176.9-57.4-177.4000114.6I161 K166 W167 S199 N203 E204 Y205I161-L201 HydrophobicContact CG2-CD2 3.77Å; K166-L201 HydrophobicContact CB-CD1 3.5Å; K166-L201 VanDerWaalsContact CB-CD1 3.5Å; W167-L201 HydrophobicContact CD2-CD1 3.98Å; W167-L201 HydrophobicContact CE3-CD1 4.48Å; W167-L201 HydrophobicContact CG-CD1 4.11Å; W167-L201 HydrophobicContact CZ2-CD2 4.11Å; S199-L201 PolarHBondContact O-N 3.25Å; S199-L201 PolarHBondContact OG-N 3.29Å; L201-N203 PolarHBondContact O-N 2.96Å; L201-E204 PolarHBondContact O-N 2.82Å; L201-Y205 HydrophobicContact CB-CE2 3.87Å; L201-Y205 WeakPolarHBondContact O-CD2 3.47Å; L201-Y205 WeakPolarHBondContact O-CE2 3.4Å
202K78.6Confident91.1Very high109 Ų10960.1 Ų60.147%0.47433%0.326SS..THydrogen-bonded Turntrans-50.2-32.3-16969.8-175.3-179.2-173.60115S199S199-K202 PolarHBondContact O-N 3.36Å
203N82.4Confident91.2Very high108 Ų10860.4 Ų60.458%0.57833%0.327SS*.THydrogen-bonded Turntrans-93.6-20.4-177.5-68.2-28000113.8L201 K210L201-N203 PolarHBondContact O-N 2.96Å; N203-K210 PolarHBondContact O-NZ 3.18Å
204E88.9Confident91.2Very high127 Ų12762.3 Ų62.359%0.59334%0.335SS*.THydrogen-bonded Turntrans-84.7-16.4-170.7-57.7-52.4133.600113.5W167 L201W167-E204 HydrophobicContact CH2-CB 3.46Å; W167-E204 VanDerWaalsContact CH2-CB 3.46Å; W167-E204 HydrophobicContact CH2-CG 4.42Å; W167-E204 HydrophobicContact CZ2-CB 4.47Å; W167-E204 HydrophobicContact CZ3-CB 3.76Å; L201-E204 PolarHBondContact O-N 2.82Å
205Y90.6Very high91.4Very high3 Ų354.5 Ų54.51%0.01231%0.305CS..SBendtrans-58.7152.2177.4-63.8-74.3000113K166 W167 M170 L201 K210K166-Y205 PolarHBondContact O-OH 3.49Å; W167-Y205 HydrophobicContact CE3-CD1 4.28Å; W167-Y205 HydrophobicContact CE3-CE1 4.32Å; W167-Y205 WeakPolarHBondContact O-CE1 3.43Å; M170-Y205 HydrophobicContact CB-CD1 3.42Å; M170-Y205 VanDerWaalsContact CB-CD1 3.42Å; M170-Y205 HydrophobicContact CB-CD2 4.12Å; M170-Y205 HydrophobicContact CB-CE1 3.43Å; M170-Y205 VanDerWaalsContact CB-CE1 3.43Å; M170-Y205 HydrophobicContact CB-CE2 4.1Å; M170-Y205 HydrophobicContact CB-CG 3.79Å; M170-Y205 HydrophobicContact CE-CD2 3.31Å; M170-Y205 HydrophobicContact CE-CE2 3.66Å; M170-Y205 HydrophobicContact CE-CG 3.89Å; M170-Y205 HydrophobicContact CG-CD1 4.05Å; M170-Y205 HydrophobicContact CG-CD2 4.3Å; M170-Y205 HydrophobicContact CG-CE1 4.47Å; M170-Y205 HydrophobicContact CG-CG 3.96Å; L201-Y205 HydrophobicContact CB-CE2 3.87Å; L201-Y205 WeakPolarHBondContact O-CD2 3.47Å; L201-Y205 WeakPolarHBondContact O-CE2 3.4Å; Y205-K210 WeakPolarHBondContact O-CD 3.49Å; Y205-K210 WeakPolarHBondContact O-CE 3.12Å; Y205-K210 PolarHBondContact O-NZ 3.04Å
206S92.3Very high91.6Very high52 Ų5254.6 Ų54.636%0.36430%0.301SS..  trans-55.3147.4177.868.60000112.5A208 Q209 K210S206-A208 PolarHBondContact O-N 3.11Å; S206-Q209 PolarHBondContact O-N 3.26Å; S206-Q209 VanDerWaalsContact O-N 3.16Å; S206-Q209 WeakPolarHBondContact OG-CB 3.26Å; S206-Q209 WeakPolarHBondContact OG-CG 3.3Å; S206-Q209 PolarHBondContact OG-N 3.38Å; S206-K210 PolarHBondContact O-N 2.96Å
207P92.2Very high91.8Very high75 Ų7555.4 Ų55.449%0.48731%0.306SS..Hα-helixtrans-54.2-38.1177-27.335000113.5K210 V211P207-K210 PolarHBondContact O-N 2.82Å; P207-V211 WeakPolarHBondContact O-CB 3.39Å; P207-V211 VanDerWaalsContact O-CG2 3.26Å; P207-V211 WeakPolarHBondContact O-CG2 3.46Å; P207-V211 PolarHBondContact O-N 3.35Å
208A93.7Very high92.2Very high70 Ų7051.3 Ų51.358%0.57928%0.284SS*.Hα-helixtrans-63.8-42.7179.900000112.6S206 T212S206-A208 PolarHBondContact O-N 3.11Å; A208-T212 PolarHBondContact O-N 3.49Å; A208-T212 PolarHBondContact O-OG1 3.26Å
209Q94.9Very high92.6Very high46 Ų4648 Ų4822%0.21526%0.257CS..Hα-helixtrans-68.1-43176-74.7176.5-1500111.5M170 N174 S206 T212 Y213M170-Q209 HydrophobicContact CG-CB 3.76Å; N174-Q209 PolarHBondContact ND2-O 3.08Å; S206-Q209 PolarHBondContact O-N 3.26Å; S206-Q209 VanDerWaalsContact O-N 3.16Å; S206-Q209 WeakPolarHBondContact OG-CB 3.26Å; S206-Q209 WeakPolarHBondContact OG-CG 3.3Å; S206-Q209 PolarHBondContact OG-N 3.38Å; Q209-T212 PolarHBondContact O-N 2.84Å; Q209-Y213 WeakPolarHBondContact O-CB 3.3Å; Q209-Y213 PolarHBondContact O-N 2.69Å
210K95.6Very high92.9Very high41 Ų4148.5 Ų48.518%0.17826%0.258CS..Hα-helixtrans-61-44.9177.1-70.1-171.9-66.2-147.50111.9N203 Y205 S206 P207 T212 Y213 K214 F236N203-K210 PolarHBondContact O-NZ 3.18Å; Y205-K210 WeakPolarHBondContact O-CD 3.49Å; Y205-K210 WeakPolarHBondContact O-CE 3.12Å; Y205-K210 PolarHBondContact O-NZ 3.04Å; S206-K210 PolarHBondContact O-N 2.96Å; P207-K210 PolarHBondContact O-N 2.82Å; K210-T212 VanDerWaalsContact C-N 3.34Å; K210-T212 PolarHBondContact O-N 3.04Å; K210-Y213 PolarHBondContact O-N 3.01Å; K210-K214 WeakPolarHBondContact O-CB 3.37Å; K210-K214 WeakPolarHBondContact O-CG 3.19Å; K210-K214 PolarHBondContact O-N 3.38Å; K210-F236 HydrophobicContact CB-CE1 4.34Å
211V96.8Very high93.5Very high16 Ų1641.9 Ų41.910%0.09722%0.224CC..Hα-helixtrans-59.7-45.2176.6168.20000111.1P207 Y215 A237 R240 C241 I252P207-V211 WeakPolarHBondContact O-CB 3.39Å; P207-V211 VanDerWaalsContact O-CG2 3.26Å; P207-V211 WeakPolarHBondContact O-CG2 3.46Å; P207-V211 PolarHBondContact O-N 3.35Å; V211-Y215 VanDerWaalsContact O-CB 3.3Å; V211-Y215 WeakPolarHBondContact O-CB 3.4Å; V211-Y215 PolarHBondContact O-N 3.09Å; V211-A237 HydrophobicContact CG1-CB 4.38Å; V211-R240 HydrophobicContact CG2-CB 3.72Å; V211-C241 HydrophobicContact CG1-CB 4.18Å; V211-I252 HydrophobicContact CG1-CD1 4.34Å
212T96.9Very high94.1Very high42 Ų4241.6 Ų41.626%0.25822%0.222SC..Hα-helixtrans-63.4-44.4178.6-54.50000111.3N174 A208 Q209 K210 Y215 Y216N174-T212 HydrophobicContact CB-CG2 3.94Å; A208-T212 PolarHBondContact O-N 3.49Å; A208-T212 PolarHBondContact O-OG1 3.26Å; Q209-T212 PolarHBondContact O-N 2.84Å; K210-T212 VanDerWaalsContact C-N 3.34Å; K210-T212 PolarHBondContact O-N 3.04Å; T212-Y215 PolarHBondContact O-N 3.41Å; T212-Y216 HydrophobicContact CG2-CD2 4.02Å; T212-Y216 HydrophobicContact CG2-CE2 3.83Å; T212-Y216 VanDerWaalsContact O-CD2 3.23Å; T212-Y216 WeakPolarHBondContact O-CD2 3.42Å; T212-Y216 PolarHBondContact O-N 3.23Å
213Y97.4Very high94.8Very high5 Ų539.7 Ų39.72%0.0221%0.214CC..Hα-helixtrans-62.1-53.8179176.5-96.5000111M170 N174 F177 I193 I196 D197 Q209 K210 Y215 Y216 V217M170-Y213 HydrophobicContact CE-CD1 4.4Å; M170-Y213 HydrophobicContact CE-CD2 4.36Å; M170-Y213 HydrophobicContact CE-CG 4.18Å; M170-Y213 WeakPolarHBondContact SD-CB 3.34Å; M170-Y213 HydrophobicContact SD-CD1 4.2Å; M170-Y213 HydrophobicContact SD-CD2 3.4Å; M170-Y213 WeakPolarHBondContact SD-CD2 3.29Å; M170-Y213 HydrophobicContact SD-CE2 4.2Å; M170-Y213 HydrophobicContact SD-CG 3.41Å; N174-Y213 WeakPolarHBondContact OD1-CA 3.33Å; N174-Y213 PolarHBondContact OD1-N 3.07Å; F177-Y213 AromaticContact CE2-CD2 3.55Å; F177-Y213 HydrophobicContact CE2-CD2 3.55Å; F177-Y213 AromaticContact CE2-CE2 3.81Å; F177-Y213 HydrophobicContact CE2-CE2 3.81Å; F177-Y213 HydrophobicContact CE2-CG 4.46Å; F177-Y213 HydrophobicContact CZ-CD2 4.19Å; F177-Y213 AromaticContact CZ-CE2 3.98Å; F177-Y213 HydrophobicContact CZ-CE2 3.98Å; I193-Y213 WeakPolarHBondContact CA-OH 3.39Å; I196-Y213 HydrophobicContact CB-CE2 4.11Å; I196-Y213 HydrophobicContact CG1-CE2 4.08Å; I196-Y213 HydrophobicContact CG2-CE1 4.32Å; I196-Y213 HydrophobicContact CG2-CE2 3.98Å; D197-Y213 PolarHBondContact OD1-OH 3.25Å; Q209-Y213 WeakPolarHBondContact O-CB 3.3Å; Q209-Y213 PolarHBondContact O-N 2.69Å; K210-Y213 PolarHBondContact O-N 3.01Å; Y213-Y215 VanDerWaalsContact C-N 3.26Å; Y213-Y215 PolarHBondContact O-N 3.48Å; Y213-Y216 PolarHBondContact O-N 3.03Å; Y213-V217 HydrophobicContact CD1-CG2 4.07Å; Y213-V217 HydrophobicContact CD2-CG2 4.19Å; Y213-V217 HydrophobicContact CE1-CG2 3.77Å; Y213-V217 HydrophobicContact CE2-CG2 3.87Å; Y213-V217 HydrophobicContact CG-CG2 4.27Å; Y213-V217 WeakPolarHBondContact O-CG2 3.14Å; Y213-V217 PolarHBondContact O-N 3.14Å
214K97.6Very high95.4Very high61 Ų6138.9 Ų38.927%0.26521%0.21SC..Hα-helixtrans-60.8-35.7-179-65.7-71.5-175.1-178.50112K210 G218 L233 F236 A237K210-K214 WeakPolarHBondContact O-CB 3.37Å; K210-K214 WeakPolarHBondContact O-CG 3.19Å; K210-K214 PolarHBondContact O-N 3.38Å; K214-G218 PolarHBondContact O-N 2.86Å; K214-L233 HydrophobicContact CD-CD2 3.34Å; K214-L233 HydrophobicContact CD-CG 4.49Å; K214-F236 HydrophobicContact CB-CD1 4.06Å; K214-F236 HydrophobicContact CD-CD1 4.44Å; K214-F236 HydrophobicContact CG-CD1 3.69Å; K214-F236 HydrophobicContact CG-CE1 3.97Å; K214-A237 HydrophobicContact CB-CB 4.24Å
215Y98.2Very high95.6Very high18 Ų1835.3 Ų35.37%0.07120%0.199CC..Hα-helixtrans-58.8-49.4171.6167-102.9000112.7V211 T212 Y213 R219 L234 M251 I252 Y255V211-Y215 VanDerWaalsContact O-CB 3.3Å; V211-Y215 WeakPolarHBondContact O-CB 3.4Å; V211-Y215 PolarHBondContact O-N 3.09Å; T212-Y215 PolarHBondContact O-N 3.41Å; Y213-Y215 VanDerWaalsContact C-N 3.26Å; Y213-Y215 PolarHBondContact O-N 3.48Å; Y215-R219 HydrophobicContact CE2-CG 4.31Å; Y215-R219 VanDerWaalsContact O-CG 3.28Å; Y215-R219 WeakPolarHBondContact O-CG 3.43Å; Y215-R219 PolarHBondContact O-N 3.25Å; Y215-L234 HydrophobicContact CD2-CD2 4.25Å; Y215-M251 HydrophobicContact CE2-CB 4.48Å; Y215-I252 HydrophobicContact CD2-CB 4.36Å; Y215-I252 HydrophobicContact CD2-CG1 3.68Å; Y215-I252 HydrophobicContact CE2-CG1 4.26Å; Y215-I252 HydrophobicContact CG-CG1 4.43Å; Y215-Y255 AromaticContact CE2-CD2 3.82Å; Y215-Y255 HydrophobicContact CE2-CD2 3.82Å; Y215-Y255 HydrophobicContact CE2-CE2 4.13Å; Y215-Y255 VanDerWaalsContact OH-CE2 3.3Å; Y215-Y255 WeakPolarHBondContact OH-CE2 3.41Å
216Y98.1Very high95.8Very high26 Ų2638.5 Ų38.510%0.10222%0.216CC..Hα-helixtrans-72.1-41.8-179.3-77.8-69000112.9F177 K178 F181 T212 Y213 G218 R219 K220F177-Y216 HydrophobicContact CB-CD1 3.94Å; F177-Y216 HydrophobicContact CB-CD2 3.76Å; F177-Y216 HydrophobicContact CB-CE1 4.45Å; F177-Y216 HydrophobicContact CB-CE2 4.33Å; F177-Y216 HydrophobicContact CB-CG 3.58Å; F177-Y216 VanDerWaalsContact CD2-CB 3.49Å; F177-Y216 HydrophobicContact CD2-CD2 4.11Å; F177-Y216 HydrophobicContact CD2-CG 4.02Å; F177-Y216 HydrophobicContact CG-CD2 4.43Å; F177-Y216 HydrophobicContact CG-CG 4.15Å; K178-Y216 HydrophobicContact CG-CE2 3.87Å; K178-Y216 WeakPolarHBondContact CG-OH 3.44Å; F181-Y216 HydrophobicContact CB-CE1 4.25Å; F181-Y216 HydrophobicContact CD1-CD1 4.36Å; F181-Y216 AromaticContact CD2-CD1 3.44Å; F181-Y216 HydrophobicContact CD2-CD1 3.44Å; F181-Y216 VanDerWaalsContact CD2-CD1 3.44Å; F181-Y216 AromaticContact CD2-CE1 3.96Å; F181-Y216 HydrophobicContact CD2-CE1 3.96Å; F181-Y216 HydrophobicContact CD2-CG 4.39Å; F181-Y216 HydrophobicContact CE1-CD1 4.42Å; F181-Y216 AromaticContact CE2-CD1 3.53Å; F181-Y216 HydrophobicContact CE2-CD1 3.53Å; F181-Y216 HydrophobicContact CE2-CE1 4.47Å; F181-Y216 HydrophobicContact CE2-CG 4.21Å; F181-Y216 AromaticContact CG-CD1 3.86Å; F181-Y216 HydrophobicContact CG-CD1 3.86Å; F181-Y216 HydrophobicContact CG-CE1 4.03Å; F181-Y216 HydrophobicContact CZ-CD1 4.03Å; F181-Y216 VanDerWaalsContact CZ-O 3.29Å; F181-Y216 WeakPolarHBondContact CZ-O 3.48Å; T212-Y216 HydrophobicContact CG2-CD2 4.02Å; T212-Y216 HydrophobicContact CG2-CE2 3.83Å; T212-Y216 VanDerWaalsContact O-CD2 3.23Å; T212-Y216 WeakPolarHBondContact O-CD2 3.42Å; T212-Y216 PolarHBondContact O-N 3.23Å; Y213-Y216 PolarHBondContact O-N 3.03Å; Y216-G218 VanDerWaalsContact C-N 3.34Å; Y216-R219 VanDerWaalsContact CE1-NH1 3.34Å; Y216-R219 PolarHBondContact O-N 3.08Å; Y216-K220 PolarHBondContact O-N 3.39Å
217V97.8Very high95.9Very high18 Ų1837.5 Ų37.511%0.10921%0.205CC..Hα-helixtrans-64.8-40.9177.4-176.60000110.8F177 I193 Y213 K220 A221 L233F177-V217 HydrophobicContact CE2-CG2 4.05Å; F177-V217 HydrophobicContact CZ-CG2 4.17Å; I193-V217 HydrophobicContact CD1-CG1 4.03Å; I193-V217 HydrophobicContact CD1-CG2 3.98Å; I193-V217 HydrophobicContact CG1-CG1 4.4Å; I193-V217 HydrophobicContact CG1-CG2 3.79Å; Y213-V217 HydrophobicContact CD1-CG2 4.07Å; Y213-V217 HydrophobicContact CD2-CG2 4.19Å; Y213-V217 HydrophobicContact CE1-CG2 3.77Å; Y213-V217 HydrophobicContact CE2-CG2 3.87Å; Y213-V217 HydrophobicContact CG-CG2 4.27Å; Y213-V217 WeakPolarHBondContact O-CG2 3.14Å; Y213-V217 PolarHBondContact O-N 3.14Å; V217-K220 WeakPolarHBondContact O-CB 3.2Å; V217-K220 PolarHBondContact O-N 2.75Å; V217-A221 PolarHBondContact O-N 3.06Å; V217-L233 HydrophobicContact CB-CD1 4.06Å; V217-L233 HydrophobicContact CG1-CD1 3.59Å
218G97.9Very high96Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-63.6-40.6175.300000113.1K214 Y216 K220 A221 M222 A230K214-G218 PolarHBondContact O-N 2.86Å; Y216-G218 VanDerWaalsContact C-N 3.34Å; G218-K220 VanDerWaalsContact C-N 3.34Å; G218-K220 PolarHBondContact O-N 3.11Å; G218-A221 PolarHBondContact O-N 3.36Å; G218-M222 PolarHBondContact O-N 3.44Å; G218-A230 WeakPolarHBondContact O-CB 3.39Å
219R97.3Very high96.2Very high26 Ų2637.8 Ų37.810%0.09819%0.19CC..Hα-helixtrans-61.7-41.6172.3-75.3175.269.4-143.85.6112.5F181 Y215 Y216 M222 F223 L234 Y255F181-R219 VanDerWaalsContact CD1-CZ 3.48Å; F181-R219 HydrophobicContact CE1-CB 3.77Å; F181-R219 HydrophobicContact CZ-CB 3.99Å; Y215-R219 HydrophobicContact CE2-CG 4.31Å; Y215-R219 VanDerWaalsContact O-CG 3.28Å; Y215-R219 WeakPolarHBondContact O-CG 3.43Å; Y215-R219 PolarHBondContact O-N 3.25Å; Y216-R219 VanDerWaalsContact CE1-NH1 3.34Å; Y216-R219 PolarHBondContact O-N 3.08Å; R219-M222 WeakPolarHBondContact O-CB 3.42Å; R219-M222 PolarHBondContact O-N 3.22Å; R219-F223 WeakPolarHBondContact O-CD2 3.27Å; R219-F223 PolarHBondContact O-N 3.47Å; R219-F223 VanDerWaalsContact O-N 3.09Å; R219-L234 HydrophobicContact CG-CD2 4.38Å; R219-Y255 HydrophobicContact CG-CD1 4.01Å; R219-Y255 HydrophobicContact CG-CD2 3.82Å; R219-Y255 HydrophobicContact CG-CE1 4.47Å; R219-Y255 HydrophobicContact CG-CE2 4.3Å; R219-Y255 HydrophobicContact CG-CG 3.67Å; R219-Y255 VanDerWaalsContact NE-CE2 3.26Å; R219-Y255 PolarHBondContact NH2-OH 3.36Å
220K96.1Very high96.3Very high21 Ų2135.6 Ų35.69%0.09118%0.18CC..Hα-helixtrans-62.6-45.9175.7-175.8-168.1167.5-66.40110.9F181 C189 K190 I193 Y216 V217 G218 M222 F223 D224F181-K220 HydrophobicContact CZ-CB 4.14Å; C189-K220 HydrophobicContact CB-CD 3.96Å; K190-K220 VanDerWaalsContact CG-CE 3.48Å; I193-K220 HydrophobicContact CD1-CD 3.69Å; Y216-K220 PolarHBondContact O-N 3.39Å; V217-K220 WeakPolarHBondContact O-CB 3.2Å; V217-K220 PolarHBondContact O-N 2.75Å; G218-K220 VanDerWaalsContact C-N 3.34Å; G218-K220 PolarHBondContact O-N 3.11Å; K220-M222 VanDerWaalsContact C-N 3.3Å; K220-M222 PolarHBondContact O-N 3.12Å; K220-F223 PolarHBondContact O-N 3.03Å; K220-F223 VanDerWaalsContact O-N 3.12Å; K220-D224 IonicContact NZ-OD2 2.7Å; K220-D224 PolarHBondContact NZ-OD2 3.47Å; K220-D224 PolarHBondContact O-N 3.13Å
221A96.9Very high96.4Very high9 Ų935.7 Ų35.77%0.07418%0.181CC..Hα-helixtrans-58.3-42.2176.600000111.7V217 G218 F223 D224 S225 D226 T229 A230V217-A221 PolarHBondContact O-N 3.06Å; G218-A221 PolarHBondContact O-N 3.36Å; A221-F223 VanDerWaalsContact C-N 3.35Å; A221-F223 PolarHBondContact O-N 3.13Å; A221-D224 CarbonylContact O-C 3.58Å; A221-D224 PolarHBondContact O-N 3.07Å; A221-S225 PolarHBondContact O-N 2.78Å; A221-D226 HydrophobicContact CB-CB 4.38Å; A221-D226 PolarHBondContact O-N 2.98Å; A221-T229 HydrophobicContact CB-CG2 4.26Å; A221-A230 HydrophobicContact CB-CB 3.94Å
222M96.2Very high96.4Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-58.3-44.2173.8-179.7-162.974.200112.1G218 R219 K220 D224 S225 A230 Y255 V259 I311 I314G218-M222 PolarHBondContact O-N 3.44Å; R219-M222 WeakPolarHBondContact O-CB 3.42Å; R219-M222 PolarHBondContact O-N 3.22Å; K220-M222 VanDerWaalsContact C-N 3.3Å; K220-M222 PolarHBondContact O-N 3.12Å; M222-D224 VanDerWaalsContact C-N 3.34Å; M222-S225 PolarHBondContact O-N 3.13Å; M222-S225 VanDerWaalsContact O-N 3.1Å; M222-A230 HydrophobicContact CB-CB 3.98Å; M222-Y255 HydrophobicContact CE-CD1 3.68Å; M222-Y255 HydrophobicContact CE-CE1 4.3Å; M222-Y255 HydrophobicContact SD-CD1 4.04Å; M222-V259 HydrophobicContact CB-CG2 4.04Å; M222-V259 HydrophobicContact CG-CG2 3.6Å; M222-V259 HydrophobicContact SD-CG2 4.02Å; M222-I311 HydrophobicContact CE-CG2 4.5Å; M222-I314 HydrophobicContact CE-CD1 4.48Å; M222-I314 HydrophobicContact CE-CG1 3.9Å; M222-I314 HydrophobicContact CG-CD1 4.25Å; M222-I314 HydrophobicContact CG-CG1 4.21Å; M222-I314 HydrophobicContact CG-CG2 4.2Å; M222-I314 HydrophobicContact SD-CG1 4.11Å; M222-I314 HydrophobicContact SD-CG2 4.27Å
223F93.9Very high96.5Very high70 Ų7039.9 Ų39.931%0.30720%0.197SC..Hα-helixtrans-68.1-32.4177.3-70-53.4000113.1F181 L186 R219 K220 A221 S225 G310F181-F223 HydrophobicContact CE1-CD2 4.29Å; F181-F223 AromaticContact CE1-CE2 4Å; F181-F223 HydrophobicContact CE1-CE2 4Å; L186-F223 HydrophobicContact CD1-CB 4.29Å; L186-F223 HydrophobicContact CD1-CD2 3.63Å; L186-F223 HydrophobicContact CD1-CE2 4.26Å; L186-F223 HydrophobicContact CD1-CG 4.15Å; R219-F223 WeakPolarHBondContact O-CD2 3.27Å; R219-F223 PolarHBondContact O-N 3.47Å; R219-F223 VanDerWaalsContact O-N 3.09Å; K220-F223 PolarHBondContact O-N 3.03Å; K220-F223 VanDerWaalsContact O-N 3.12Å; A221-F223 VanDerWaalsContact C-N 3.35Å; A221-F223 PolarHBondContact O-N 3.13Å; F223-S225 PolarHBondContact O-N 3.13Å; F223-G310 WeakPolarHBondContact CE1-O 3.05Å
224D93.9Very high96.5Very high90 Ų9039.6 Ų39.648%0.48120%0.196SC..THydrogen-bonded Turntrans-76.23.8172.4-67.2-22000112.5K220 A221 M222 D226K220-D224 IonicContact NZ-OD2 2.7Å; K220-D224 PolarHBondContact NZ-OD2 3.47Å; K220-D224 PolarHBondContact O-N 3.13Å; A221-D224 CarbonylContact O-C 3.58Å; A221-D224 PolarHBondContact O-N 3.07Å; M222-D224 VanDerWaalsContact C-N 3.34Å; D224-D226 PolarHBondContact O-N 3.17Å
225S93.4Very high96.5Very high52 Ų5237.5 Ų37.536%0.36419%0.189SC..THydrogen-bonded Turntrans6117.9-174.8-54.80000115.1A221 M222 F223 F227A221-S225 PolarHBondContact O-N 2.78Å; M222-S225 PolarHBondContact O-N 3.13Å; M222-S225 VanDerWaalsContact O-N 3.1Å; F223-S225 PolarHBondContact O-N 3.13Å; S225-F227 WeakPolarHBondContact O-CD2 3.39Å; S225-F227 PolarHBondContact O-N 3.23Å
226D95.2Very high96.5Very high71 Ų7140.3 Ų40.338%0.3820%0.202SC..  trans-85.380.1169.4-177.4-4.8000109.5A221 D224 T229 A230A221-D226 HydrophobicContact CB-CB 4.38Å; A221-D226 PolarHBondContact O-N 2.98Å; D224-D226 PolarHBondContact O-N 3.17Å; D226-T229 VanDerWaalsContact CG-CB 3.43Å; D226-T229 WeakPolarHBondContact OD1-CB 3.08Å; D226-T229 PolarHBondContact OD1-N 3.21Å; D226-T229 VanDerWaalsContact OD1-N 3.13Å; D226-T229 PolarHBondContact OD1-OG1 2.99Å; D226-T229 VanDerWaalsContact OD1-OG1 3.04Å; D226-T229 WeakPolarHBondContact OD2-CB 3.49Å; D226-T229 PolarHBondContact OD2-OG1 3.09Å; D226-A230 VanDerWaalsContact O-CB 3.25Å; D226-A230 WeakPolarHBondContact O-CB 3.08Å; D226-A230 PolarHBondContact O-N 3.36Å
227F94.6Very high96.5Very high31 Ų3139 Ų3914%0.13620%0.197CC..Hα-helixtrans-72-29.8-172.7-58.3-56000113.4S225 E231 V259 L262 L263 I314 K317S225-F227 WeakPolarHBondContact O-CD2 3.39Å; S225-F227 PolarHBondContact O-N 3.23Å; F227-E231 VanDerWaalsContact O-CB 3.31Å; F227-E231 WeakPolarHBondContact O-CB 3.28Å; F227-E231 PolarHBondContact O-N 3.12Å; F227-V259 HydrophobicContact CB-CG1 4.25Å; F227-V259 HydrophobicContact CD1-CG2 4.44Å; F227-V259 WeakPolarHBondContact O-CG1 3.32Å; F227-L262 HydrophobicContact CD1-CD1 3.81Å; F227-L262 HydrophobicContact CD2-CD1 4.37Å; F227-L262 HydrophobicContact CE1-CD1 3.52Å; F227-L262 HydrophobicContact CE2-CD1 4.11Å; F227-L262 HydrophobicContact CG-CD1 4.24Å; F227-L262 HydrophobicContact CZ-CD1 3.69Å; F227-L263 HydrophobicContact CB-CD2 4.16Å; F227-I314 HydrophobicContact CE1-CG2 4.45Å; F227-K317 HydrophobicContact CZ-CD 3.85Å
228K94.5Very high96.5Very high100 Ų10039.6 Ų39.644%0.43520%0.198SC..Hα-helixtrans-65.3-54.5176.3-76.6176.2160.91690110.8A230 E231 E232 L263 S400K228-A230 VanDerWaalsContact C-N 3.28Å; K228-A230 PolarHBondContact O-N 2.9Å; K228-E231 WeakPolarHBondContact O-CB 3.48Å; K228-E231 PolarHBondContact O-N 3.15Å; K228-E231 VanDerWaalsContact O-N 3.13Å; K228-E232 PolarHBondContact O-N 2.88Å; K228-E232 VanDerWaalsContact O-N 3.13Å; K228-L263 HydrophobicContact CG-CD2 4.47Å; K228-S400 VanDerWaalsContact CE-C 3.47Å; K228-S400 WeakPolarHBondContact CE-O 3.48Å; K228-S400 PolarHBondContact NZ-O 3.34Å
229T96.3Very high96.4Very high51 Ų5145 Ų4531%0.31323%0.226SC..Hα-helixtrans-62.2-39.2177.2-56.10000111A221 D226 E231 E232 L233A221-T229 HydrophobicContact CB-CG2 4.26Å; D226-T229 VanDerWaalsContact CG-CB 3.43Å; D226-T229 WeakPolarHBondContact OD1-CB 3.08Å; D226-T229 PolarHBondContact OD1-N 3.21Å; D226-T229 VanDerWaalsContact OD1-N 3.13Å; D226-T229 PolarHBondContact OD1-OG1 2.99Å; D226-T229 VanDerWaalsContact OD1-OG1 3.04Å; D226-T229 WeakPolarHBondContact OD2-CB 3.49Å; D226-T229 PolarHBondContact OD2-OG1 3.09Å; T229-E231 VanDerWaalsContact C-N 3.32Å; T229-E231 PolarHBondContact O-N 3.08Å; T229-E232 PolarHBondContact O-N 2.67Å; T229-L233 HydrophobicContact CG2-CD1 3.65Å; T229-L233 HydrophobicContact CG2-CG 4.17Å; T229-L233 WeakPolarHBondContact O-CB 3.39Å; T229-L233 WeakPolarHBondContact O-CG 3.28Å; T229-L233 PolarHBondContact O-N 3.32Å; T229-L233 VanDerWaalsContact O-N 3.11Å
230A97.8Very high96.4Very high0 Ų051 Ų510%025%0.249CC..Hα-helixtrans-59.8-42.6175.700000112.3G218 A221 M222 D226 K228 L234 V259G218-A230 WeakPolarHBondContact O-CB 3.39Å; A221-A230 HydrophobicContact CB-CB 3.94Å; M222-A230 HydrophobicContact CB-CB 3.98Å; D226-A230 VanDerWaalsContact O-CB 3.25Å; D226-A230 WeakPolarHBondContact O-CB 3.08Å; D226-A230 PolarHBondContact O-N 3.36Å; K228-A230 VanDerWaalsContact C-N 3.28Å; K228-A230 PolarHBondContact O-N 2.9Å; A230-L234 WeakPolarHBondContact O-CB 3.24Å; A230-L234 WeakPolarHBondContact O-CG 3.45Å; A230-L234 PolarHBondContact O-N 3.09Å; A230-V259 HydrophobicContact CB-CG1 4.09Å; A230-V259 HydrophobicContact CB-CG2 4.1Å
231E97.4Very high96.4Very high42 Ų4250.4 Ų50.420%0.19625%0.247CC..Hα-helixtrans-63.2-47.8179.7-174.9-106.7-161.500111.9F227 K228 T229 L233 S235 V259 K260 L263F227-E231 VanDerWaalsContact O-CB 3.31Å; F227-E231 WeakPolarHBondContact O-CB 3.28Å; F227-E231 PolarHBondContact O-N 3.12Å; K228-E231 WeakPolarHBondContact O-CB 3.48Å; K228-E231 PolarHBondContact O-N 3.15Å; K228-E231 VanDerWaalsContact O-N 3.13Å; T229-E231 VanDerWaalsContact C-N 3.32Å; T229-E231 PolarHBondContact O-N 3.08Å; E231-L233 PolarHBondContact O-N 3.24Å; E231-S235 WeakPolarHBondContact O-CB 3.35Å; E231-S235 PolarHBondContact O-N 3.22Å; E231-S235 PolarHBondContact O-OG 2.93Å; E231-V259 HydrophobicContact CB-CG1 3.76Å; E231-K260 HydrophobicContact CG-CD 3.83Å; E231-K260 HydrophobicContact CG-CG 4.49Å; E231-K260 WeakPolarHBondContact OE1-CE 3.42Å; E231-K260 IonicContact OE1-NZ 2.6Å; E231-K260 PolarHBondContact OE1-NZ 3.14Å; E231-L263 HydrophobicContact CB-CD1 3.47Å; E231-L263 VanDerWaalsContact CB-CD1 3.47Å; E231-L263 HydrophobicContact CG-CD1 3.64Å
232E97.6Very high96.2Very high127 Ų12755.9 Ų55.959%0.59327%0.271SS*.Hα-helixtrans-61.2-48.6-179.9-68.7177.3-178.700111.1K228 T229 F236K228-E232 PolarHBondContact O-N 2.88Å; K228-E232 VanDerWaalsContact O-N 3.13Å; T229-E232 PolarHBondContact O-N 2.67Å; E232-F236 WeakPolarHBondContact O-CB 3.4Å; E232-F236 PolarHBondContact O-N 3.36Å
233L98.1Very high96Very high19 Ų1966 Ų6610%0.09931%0.31CS..Hα-helixtrans-68.6-42.8-176.8-62.8173.9000112.2K214 V217 T229 E231 A237K214-L233 HydrophobicContact CD-CD2 3.34Å; K214-L233 HydrophobicContact CD-CG 4.49Å; V217-L233 HydrophobicContact CB-CD1 4.06Å; V217-L233 HydrophobicContact CG1-CD1 3.59Å; T229-L233 HydrophobicContact CG2-CD1 3.65Å; T229-L233 HydrophobicContact CG2-CG 4.17Å; T229-L233 WeakPolarHBondContact O-CB 3.39Å; T229-L233 WeakPolarHBondContact O-CG 3.28Å; T229-L233 PolarHBondContact O-N 3.32Å; T229-L233 VanDerWaalsContact O-N 3.11Å; E231-L233 PolarHBondContact O-N 3.24Å; L233-A237 WeakPolarHBondContact O-CB 3.15Å; L233-A237 PolarHBondContact O-N 3.01Å
234L98.4Very high96Very high0 Ų066.9 Ų66.90%032%0.324CS..Hα-helixtrans-73.7-35.3179.6-69.6171.5000111.8Y215 R219 A230 A237 F238 I252 L256 V259Y215-L234 HydrophobicContact CD2-CD2 4.25Å; R219-L234 HydrophobicContact CG-CD2 4.38Å; A230-L234 WeakPolarHBondContact O-CB 3.24Å; A230-L234 WeakPolarHBondContact O-CG 3.45Å; A230-L234 PolarHBondContact O-N 3.09Å; L234-A237 PolarHBondContact O-N 3.46Å; L234-F238 WeakPolarHBondContact O-CB 3.35Å; L234-F238 PolarHBondContact O-N 3.04Å; L234-I252 HydrophobicContact CD2-CG2 4.44Å; L234-I252 WeakPolarHBondContact O-CG2 3.35Å; L234-L256 HydrophobicContact CB-CB 4.12Å; L234-L256 HydrophobicContact CB-CD1 3.75Å; L234-L256 HydrophobicContact CB-CG 4.41Å; L234-V259 HydrophobicContact CD1-CG2 4.41Å
235S98.1Very high96Very high17 Ų1764.4 Ų64.412%0.11931%0.314CS..Hα-helixtrans-62.9-47.8172.9-58.80000110.1E231 A237 F238 D239 K260E231-S235 WeakPolarHBondContact O-CB 3.35Å; E231-S235 PolarHBondContact O-N 3.22Å; E231-S235 PolarHBondContact O-OG 2.93Å; S235-A237 VanDerWaalsContact C-N 3.31Å; S235-A237 PolarHBondContact O-N 3.18Å; S235-F238 PolarHBondContact O-N 3.23Å; S235-F238 VanDerWaalsContact O-N 3.09Å; S235-D239 WeakPolarHBondContact O-CB 3.26Å; S235-D239 VanDerWaalsContact O-CG 3.31Å; S235-D239 PolarHBondContact O-N 3.02Å; S235-K260 WeakPolarHBondContact OG-CE 3.46Å; S235-K260 PolarHBondContact OG-NZ 3.31Å
236F97.6Very high96Very high76 Ų7666 Ų6633%0.33332%0.315SS..Hα-helixtrans-55.5-46.1173.7179.4-83.9000112K210 K214 E232 F238 D239 R240K210-F236 HydrophobicContact CB-CE1 4.34Å; K214-F236 HydrophobicContact CB-CD1 4.06Å; K214-F236 HydrophobicContact CD-CD1 4.44Å; K214-F236 HydrophobicContact CG-CD1 3.69Å; K214-F236 HydrophobicContact CG-CE1 3.97Å; E232-F236 WeakPolarHBondContact O-CB 3.4Å; E232-F236 PolarHBondContact O-N 3.36Å; F236-F238 VanDerWaalsContact C-N 3.32Å; F236-F238 PolarHBondContact O-N 3.33Å; F236-D239 PolarHBondContact O-N 3Å; F236-R240 HydrophobicContact CD1-CG 4.22Å; F236-R240 HydrophobicContact CD2-CG 4.14Å; F236-R240 HydrophobicContact CE1-CB 4.35Å; F236-R240 HydrophobicContact CE1-CG 3.96Å; F236-R240 HydrophobicContact CE2-CG 3.88Å; F236-R240 HydrophobicContact CG-CG 4.32Å; F236-R240 HydrophobicContact CZ-CG 3.79Å; F236-R240 WeakPolarHBondContact O-CB 3.41Å; F236-R240 WeakPolarHBondContact O-CG 3.39Å; F236-R240 PolarHBondContact O-N 3.27Å
237A97.6Very high96.1Very high0 Ų070.3 Ų70.30%033%0.331CS..Hα-helixtrans-60.8-42.2178.400000111.4V211 K214 L233 L234 S235 C241 I252V211-A237 HydrophobicContact CG1-CB 4.38Å; K214-A237 HydrophobicContact CB-CB 4.24Å; L233-A237 WeakPolarHBondContact O-CB 3.15Å; L233-A237 PolarHBondContact O-N 3.01Å; L234-A237 PolarHBondContact O-N 3.46Å; S235-A237 VanDerWaalsContact C-N 3.31Å; S235-A237 PolarHBondContact O-N 3.18Å; A237-C241 WeakPolarHBondContact O-CB 3.38Å; A237-C241 PolarHBondContact O-N 2.79Å; A237-I252 HydrophobicContact CB-CD1 4.12Å; A237-I252 HydrophobicContact CB-CG1 4.41Å; A237-I252 HydrophobicContact CB-CG2 4.29Å
238F97.5Very high96.1Very high30 Ų3072.7 Ų72.713%0.13235%0.345CS..Hα-helixtrans-66.5-45.2179.8-178.7-103.4000112.6L234 S235 F236 C241 K249 I252 L253 L256 Y275L234-F238 WeakPolarHBondContact O-CB 3.35Å; L234-F238 PolarHBondContact O-N 3.04Å; S235-F238 PolarHBondContact O-N 3.23Å; S235-F238 VanDerWaalsContact O-N 3.09Å; F236-F238 VanDerWaalsContact C-N 3.32Å; F236-F238 PolarHBondContact O-N 3.33Å; F238-C241 WeakPolarHBondContact O-CB 3.33Å; F238-C241 PolarHBondContact O-N 2.96Å; F238-K249 HydrophobicContact CD2-CB 4.22Å; F238-K249 HydrophobicContact CD2-CG 4.4Å; F238-K249 HydrophobicContact CE2-CB 3.9Å; F238-K249 HydrophobicContact CE2-CD 4.16Å; F238-K249 HydrophobicContact CE2-CG 4.26Å; F238-I252 HydrophobicContact CB-CG2 3.79Å; F238-I252 HydrophobicContact CD2-CG2 4.49Å; F238-L253 HydrophobicContact CD2-CD1 4.36Å; F238-L253 HydrophobicContact CD2-CD2 4.01Å; F238-L253 HydrophobicContact CD2-CG 3.8Å; F238-L253 HydrophobicContact CE2-CD1 3.53Å; F238-L253 HydrophobicContact CE2-CD2 3.75Å; F238-L253 HydrophobicContact CE2-CG 3.46Å; F238-L253 VanDerWaalsContact CE2-CG 3.46Å; F238-L253 HydrophobicContact CZ-CD1 4.08Å; F238-L253 HydrophobicContact CZ-CD2 4.11Å; F238-L253 HydrophobicContact CZ-CG 4.22Å; F238-L256 HydrophobicContact CB-CD2 4.18Å; F238-L256 HydrophobicContact CG-CD2 4.49Å; F238-Y275 HydrophobicContact CE2-CE2 4.21Å; F238-Y275 AromaticContact CE2-CZ 4Å; F238-Y275 AromaticContact CZ-CE2 3.93Å; F238-Y275 HydrophobicContact CZ-CE2 3.93Å; F238-Y275 AromaticContact CZ-CZ 3.92Å
239D96.9Very high96.2Very high113 Ų11368.9 Ų68.960%0.60433%0.328SS*.Hα-helixtrans-70.5-41.6-175.9-67.9-25.4000111.9S235 F236 C241S235-D239 WeakPolarHBondContact O-CB 3.26Å; S235-D239 VanDerWaalsContact O-CG 3.31Å; S235-D239 PolarHBondContact O-N 3.02Å; F236-D239 PolarHBondContact O-N 3Å; D239-C241 VanDerWaalsContact C-N 3.33Å
240R96.4Very high96.3Very high152 Ų15269.6 Ų69.657%0.57433%0.325SS*.Hα-helixtrans-83.6-7.8178.9-55.9-62.5-76.9-154.7-4.4113.1V211 F236V211-R240 HydrophobicContact CG2-CB 3.72Å; F236-R240 HydrophobicContact CD1-CG 4.22Å; F236-R240 HydrophobicContact CD2-CG 4.14Å; F236-R240 HydrophobicContact CE1-CB 4.35Å; F236-R240 HydrophobicContact CE1-CG 3.96Å; F236-R240 HydrophobicContact CE2-CG 3.88Å; F236-R240 HydrophobicContact CG-CG 4.32Å; F236-R240 HydrophobicContact CZ-CG 3.79Å; F236-R240 WeakPolarHBondContact O-CB 3.41Å; F236-R240 WeakPolarHBondContact O-CG 3.39Å; F236-R240 PolarHBondContact O-N 3.27Å
241C95.9Very high96.3Very high8 Ų873 Ų735%0.05434%0.342CS..SBendtrans-67.6134.7173.5-1720000110.6V211 A237 F238 D239 R243 K249 I252V211-C241 HydrophobicContact CG1-CB 4.18Å; A237-C241 WeakPolarHBondContact O-CB 3.38Å; A237-C241 PolarHBondContact O-N 2.79Å; F238-C241 WeakPolarHBondContact O-CB 3.33Å; F238-C241 PolarHBondContact O-N 2.96Å; D239-C241 VanDerWaalsContact C-N 3.33Å; C241-R243 PolarHBondContact O-N 2.88Å; C241-K249 HydrophobicContact CB-CG 4Å; C241-K249 WeakPolarHBondContact O-CE 3.4Å; C241-K249 PolarHBondContact O-NZ 3.28Å; C241-I252 HydrophobicContact CB-CD1 4.03Å
242H93.4Very high96.3Very high124 Ų12471.2 Ų71.257%0.57433%0.334SS*.  trans-57.2139.5-177.8-168.2-94.7000111.9S244 S245 K249H242-S244 VanDerWaalsContact C-N 3.27Å; H242-S244 PolarHBondContact CE1-OG 3.36Å; H242-S244 VanDerWaalsContact CE1-OG 3.22Å; H242-S244 PolarHBondContact ND1-N 3Å; H242-S244 PolarHBondContact ND1-OG 2.97Å; H242-S244 PolarHBondContact O-N 3.17Å; H242-S245 WeakPolarHBondContact O-CB 3.36Å; H242-S245 PolarHBondContact O-N 2.92Å; H242-K249 WeakPolarHBondContact O-CE 3.3Å
243R91.6Very high96.3Very high214 Ų21465.4 Ų65.481%0.80831%0.307SS*.THydrogen-bonded Turntrans-63.4-30-173.3-63.2179.8-177.7178.20.2113.1C241 S245 Q246C241-R243 PolarHBondContact O-N 2.88Å; R243-S245 VanDerWaalsContact C-N 3.34Å; R243-Q246 PolarHBondContact O-NE2 3.2Å
244S93Very high96.3Very high88 Ų8865 Ų6562%0.61531%0.305SS*.THydrogen-bonded Turntrans-77.4-17.5175.570.40000113.6H242 Q246H242-S244 VanDerWaalsContact C-N 3.27Å; H242-S244 PolarHBondContact CE1-OG 3.36Å; H242-S244 VanDerWaalsContact CE1-OG 3.22Å; H242-S244 PolarHBondContact ND1-N 3Å; H242-S244 PolarHBondContact ND1-OG 2.97Å; H242-S244 PolarHBondContact O-N 3.17Å; S244-Q246 PolarHBondContact O-N 3.4Å
245S94.4Very high96.3Very high38 Ų3866 Ų6627%0.26631%0.308SS..  trans-83.658.9-176-57.10000112.3H242 R243 K247 N248 K249H242-S245 WeakPolarHBondContact O-CB 3.36Å; H242-S245 PolarHBondContact O-N 2.92Å; R243-S245 VanDerWaalsContact C-N 3.34Å; S245-K247 VanDerWaalsContact C-N 3.29Å; S245-K247 PolarHBondContact O-N 3.24Å; S245-N248 PolarHBondContact O-N 2.95Å; S245-K249 PolarHBondContact O-N 3.5Å
246Q94.3Very high96.3Very high84 Ų8465.6 Ų65.639%0.39331%0.305SS..Hα-helixtrans-55.4-41-175.8-65.7-60.6-37.700112.9R243 S244 N248 K249 R250R243-Q246 PolarHBondContact O-NE2 3.2Å; S244-Q246 PolarHBondContact O-N 3.4Å; Q246-N248 VanDerWaalsContact C-N 3.34Å; Q246-N248 PolarHBondContact O-N 3.12Å; Q246-K249 PolarHBondContact O-N 2.96Å; Q246-R250 WeakPolarHBondContact O-CB 3.37Å; Q246-R250 PolarHBondContact O-N 3.05Å
247K95.9Very high96.3Very high163 Ų16362.3 Ų62.371%0.70929%0.291SS*.Hα-helixtrans-59.2-42.8176.4-173.1177.1-179.4176.90112.5S245 R250 M251S245-K247 VanDerWaalsContact C-N 3.29Å; S245-K247 PolarHBondContact O-N 3.24Å; K247-R250 PolarHBondContact O-N 3.24Å; K247-M251 WeakPolarHBondContact O-CG 3.49Å; K247-M251 PolarHBondContact O-N 3.15Å
248N96.2Very high96.3Very high80 Ų8062.3 Ų62.343%0.42829%0.291SS..Hα-helixtrans-69.8-42179.5-67.4-11.4000110.9S245 Q246 R250 M251 I252S245-N248 PolarHBondContact O-N 2.95Å; Q246-N248 VanDerWaalsContact C-N 3.34Å; Q246-N248 PolarHBondContact O-N 3.12Å; N248-R250 VanDerWaalsContact C-N 3.32Å; N248-R250 PolarHBondContact O-N 2.81Å; N248-M251 WeakPolarHBondContact O-CB 3.03Å; N248-M251 PolarHBondContact O-N 2.97Å; N248-I252 WeakPolarHBondContact O-CD1 3.03Å; N248-I252 VanDerWaalsContact O-CG1 3.3Å; N248-I252 WeakPolarHBondContact O-CG1 3.46Å; N248-I252 PolarHBondContact O-N 2.63Å
249K97Very high96.2Very high20 Ų2060.9 Ų60.99%0.08729%0.285CS..Hα-helixtrans-58.9-44.1174.3-71.3-161175.1-143.80112F238 C241 H242 S245 Q246 I252 L253 Y275F238-K249 HydrophobicContact CD2-CB 4.22Å; F238-K249 HydrophobicContact CD2-CG 4.4Å; F238-K249 HydrophobicContact CE2-CB 3.9Å; F238-K249 HydrophobicContact CE2-CD 4.16Å; F238-K249 HydrophobicContact CE2-CG 4.26Å; C241-K249 HydrophobicContact CB-CG 4Å; C241-K249 WeakPolarHBondContact O-CE 3.4Å; C241-K249 PolarHBondContact O-NZ 3.28Å; H242-K249 WeakPolarHBondContact O-CE 3.3Å; S245-K249 PolarHBondContact O-N 3.5Å; Q246-K249 PolarHBondContact O-N 2.96Å; K249-I252 PolarHBondContact O-N 3.07Å; K249-L253 WeakPolarHBondContact O-CG 3.18Å; K249-L253 PolarHBondContact O-N 2.86Å; K249-Y275 HydrophobicContact CB-CD1 4.15Å; K249-Y275 HydrophobicContact CB-CE1 3.53Å; K249-Y275 HydrophobicContact CD-CE1 4.08Å; K249-Y275 WeakPolarHBondContact CD-OH 3.49Å; K249-Y275 HydrophobicContact CG-CE1 4.43Å
250R97.3Very high96.2Very high66 Ų6658 Ų5825%0.24927%0.267CS..Hα-helixtrans-59.1-46173.6-176.3178.5-175.5-81.70.1111.9Q246 K247 N248 I252 L253 I254 Y275 D276 L277Q246-R250 WeakPolarHBondContact O-CB 3.37Å; Q246-R250 PolarHBondContact O-N 3.05Å; K247-R250 PolarHBondContact O-N 3.24Å; N248-R250 VanDerWaalsContact C-N 3.32Å; N248-R250 PolarHBondContact O-N 2.81Å; R250-I252 VanDerWaalsContact C-N 3.31Å; R250-I252 PolarHBondContact O-N 3.28Å; R250-L253 PolarHBondContact O-N 2.94Å; R250-I254 WeakPolarHBondContact O-CG1 3.49Å; R250-I254 PolarHBondContact O-N 2.91Å; R250-I254 VanDerWaalsContact O-N 3.1Å; R250-Y275 WeakPolarHBondContact CD-O 3.46Å; R250-Y275 VanDerWaalsContact CG-O 3.28Å; R250-Y275 WeakPolarHBondContact CG-O 3.44Å; R250-Y275 PolarHBondContact NE-O 3.32Å; R250-Y275 VanDerWaalsContact NE-O 3.11Å; R250-D276 PolarHBondContact NE-O 3.02Å; R250-D276 PolarHBondContact NH2-O 3.46Å; R250-D276 IonicContact NH2-OD2 2.85Å; R250-L277 HydrophobicContact CG-CD2 4.19Å; R250-L277 HydrophobicContact CG-CG 4.37Å
251M97Very high96.2Very high72 Ų7250.8 Ų50.836%0.35524%0.24SC..Hα-helixtrans-59.9-40.7176.7-73.2178.265.300112.5Y215 K247 N248 Y255Y215-M251 HydrophobicContact CE2-CB 4.48Å; K247-M251 WeakPolarHBondContact O-CG 3.49Å; K247-M251 PolarHBondContact O-N 3.15Å; N248-M251 WeakPolarHBondContact O-CB 3.03Å; N248-M251 PolarHBondContact O-N 2.97Å; M251-Y255 VanDerWaalsContact O-CD2 3.26Å; M251-Y255 WeakPolarHBondContact O-CD2 3.36Å
252I98.2Very high96.1Very high5 Ų551.1 Ų51.13%0.02624%0.241CC..Hα-helixtrans-65.7-45176.8-63.2157.8000110.4V211 Y215 L234 A237 F238 C241 N248 K249 R250 I254 Y255 L256V211-I252 HydrophobicContact CG1-CD1 4.34Å; Y215-I252 HydrophobicContact CD2-CB 4.36Å; Y215-I252 HydrophobicContact CD2-CG1 3.68Å; Y215-I252 HydrophobicContact CE2-CG1 4.26Å; Y215-I252 HydrophobicContact CG-CG1 4.43Å; L234-I252 HydrophobicContact CD2-CG2 4.44Å; L234-I252 WeakPolarHBondContact O-CG2 3.35Å; A237-I252 HydrophobicContact CB-CD1 4.12Å; A237-I252 HydrophobicContact CB-CG1 4.41Å; A237-I252 HydrophobicContact CB-CG2 4.29Å; F238-I252 HydrophobicContact CB-CG2 3.79Å; F238-I252 HydrophobicContact CD2-CG2 4.49Å; C241-I252 HydrophobicContact CB-CD1 4.03Å; N248-I252 WeakPolarHBondContact O-CD1 3.03Å; N248-I252 VanDerWaalsContact O-CG1 3.3Å; N248-I252 WeakPolarHBondContact O-CG1 3.46Å; N248-I252 PolarHBondContact O-N 2.63Å; K249-I252 PolarHBondContact O-N 3.07Å; R250-I252 VanDerWaalsContact C-N 3.31Å; R250-I252 PolarHBondContact O-N 3.28Å; I252-I254 VanDerWaalsContact C-N 3.32Å; I252-I254 PolarHBondContact O-N 3.42Å; I252-Y255 PolarHBondContact O-N 3.08Å; I252-Y255 VanDerWaalsContact O-N 3.14Å; I252-L256 WeakPolarHBondContact O-CB 3.34Å; I252-L256 PolarHBondContact O-N 3.24Å
253L97.9Very high96.1Very high4 Ų445.8 Ų45.82%0.02122%0.217CC..Hα-helixtrans-61.1-35.9-179.2-77.9172.4000113.7F238 K249 R250 Y255 L256 L257 L271 Y275 L277F238-L253 HydrophobicContact CD2-CD1 4.36Å; F238-L253 HydrophobicContact CD2-CD2 4.01Å; F238-L253 HydrophobicContact CD2-CG 3.8Å; F238-L253 HydrophobicContact CE2-CD1 3.53Å; F238-L253 HydrophobicContact CE2-CD2 3.75Å; F238-L253 HydrophobicContact CE2-CG 3.46Å; F238-L253 VanDerWaalsContact CE2-CG 3.46Å; F238-L253 HydrophobicContact CZ-CD1 4.08Å; F238-L253 HydrophobicContact CZ-CD2 4.11Å; F238-L253 HydrophobicContact CZ-CG 4.22Å; K249-L253 WeakPolarHBondContact O-CG 3.18Å; K249-L253 PolarHBondContact O-N 2.86Å; R250-L253 PolarHBondContact O-N 2.94Å; L253-Y255 PolarHBondContact O-N 3.46Å; L253-Y255 VanDerWaalsContact O-N 3.1Å; L253-L256 HydrophobicContact CD2-CD2 4.35Å; L253-L256 PolarHBondContact O-N 2.83Å; L253-L257 HydrophobicContact CB-CG 4.47Å; L253-L257 HydrophobicContact CD2-CD2 4.49Å; L253-L257 HydrophobicContact CD2-CG 4.45Å; L253-L257 VanDerWaalsContact O-CB 3.32Å; L253-L257 WeakPolarHBondContact O-CB 3.41Å; L253-L257 WeakPolarHBondContact O-CG 3.24Å; L253-L257 PolarHBondContact O-N 3.24Å; L253-L271 HydrophobicContact CD1-CD1 4.46Å; L253-L271 HydrophobicContact CD2-CD2 4.45Å; L253-Y275 HydrophobicContact CD1-CD1 4.08Å; L253-Y275 HydrophobicContact CD1-CD2 3.2Å; L253-Y275 HydrophobicContact CD1-CE1 4.47Å; L253-Y275 HydrophobicContact CD1-CE2 3.67Å; L253-Y275 HydrophobicContact CD1-CG 3.43Å; L253-Y275 VanDerWaalsContact CD1-CG 3.43Å; L253-L277 HydrophobicContact CB-CD1 3.56Å; L253-L277 HydrophobicContact CD1-CD1 4.19Å
254I97.9Very high96.1Very high10 Ų1037.1 Ų37.15%0.05119%0.193CC..Hα-helixtrans-53-35176.7-73.8167.9000111.8R250 I252 P258 L277 C309 I311R250-I254 WeakPolarHBondContact O-CG1 3.49Å; R250-I254 PolarHBondContact O-N 2.91Å; R250-I254 VanDerWaalsContact O-N 3.1Å; I252-I254 VanDerWaalsContact C-N 3.32Å; I252-I254 PolarHBondContact O-N 3.42Å; I254-P258 WeakPolarHBondContact O-CD 3.16Å; I254-P258 WeakPolarHBondContact O-CG 3.47Å; I254-L277 HydrophobicContact CD1-CD2 4.26Å; I254-L277 HydrophobicContact CG1-CD2 3.62Å; I254-C309 HydrophobicContact CG2-CB 3.75Å; I254-I311 HydrophobicContact CG2-CD1 4.07Å; I254-I311 HydrophobicContact CG2-CG2 4.31Å
255Y98.2Very high96.2Very high21 Ų2137.7 Ų37.78%0.08219%0.186CC..Hα-helixtrans-95.6-32.9178.5-60-75.5000112.8Y215 R219 M222 M251 I252 L253 P258 V259 C309 I311Y215-Y255 AromaticContact CE2-CD2 3.82Å; Y215-Y255 HydrophobicContact CE2-CD2 3.82Å; Y215-Y255 HydrophobicContact CE2-CE2 4.13Å; Y215-Y255 VanDerWaalsContact OH-CE2 3.3Å; Y215-Y255 WeakPolarHBondContact OH-CE2 3.41Å; R219-Y255 HydrophobicContact CG-CD1 4.01Å; R219-Y255 HydrophobicContact CG-CD2 3.82Å; R219-Y255 HydrophobicContact CG-CE1 4.47Å; R219-Y255 HydrophobicContact CG-CE2 4.3Å; R219-Y255 HydrophobicContact CG-CG 3.67Å; R219-Y255 VanDerWaalsContact NE-CE2 3.26Å; R219-Y255 PolarHBondContact NH2-OH 3.36Å; M222-Y255 HydrophobicContact CE-CD1 3.68Å; M222-Y255 HydrophobicContact CE-CE1 4.3Å; M222-Y255 HydrophobicContact SD-CD1 4.04Å; M251-Y255 VanDerWaalsContact O-CD2 3.26Å; M251-Y255 WeakPolarHBondContact O-CD2 3.36Å; I252-Y255 PolarHBondContact O-N 3.08Å; I252-Y255 VanDerWaalsContact O-N 3.14Å; L253-Y255 PolarHBondContact O-N 3.46Å; L253-Y255 VanDerWaalsContact O-N 3.1Å; Y255-P258 WeakPolarHBondContact O-CD 3.44Å; Y255-V259 WeakPolarHBondContact O-CG2 3.42Å; Y255-C309 WeakPolarHBondContact CE1-O 3.4Å; Y255-C309 PolarHBondContact OH-O 3.49Å; Y255-I311 HydrophobicContact CD1-CG2 3.52Å; Y255-I311 HydrophobicContact CE1-CG2 3.52Å
256L98.2Very high96.2Very high10 Ų1038.6 Ų38.65%0.05219%0.187CC..Hα-helixtrans-69-36.6179.6-17958.4000112.4L234 F238 I252 L253 V259 K260L234-L256 HydrophobicContact CB-CB 4.12Å; L234-L256 HydrophobicContact CB-CD1 3.75Å; L234-L256 HydrophobicContact CB-CG 4.41Å; F238-L256 HydrophobicContact CB-CD2 4.18Å; F238-L256 HydrophobicContact CG-CD2 4.49Å; I252-L256 WeakPolarHBondContact O-CB 3.34Å; I252-L256 PolarHBondContact O-N 3.24Å; L253-L256 HydrophobicContact CD2-CD2 4.35Å; L253-L256 PolarHBondContact O-N 2.83Å; L256-V259 PolarHBondContact O-N 3.43Å; L256-K260 HydrophobicContact CD1-CD 4.42Å; L256-K260 HydrophobicContact CD1-CG 3.78Å; L256-K260 HydrophobicContact CG-CG 4Å; L256-K260 WeakPolarHBondContact O-CB 3.39Å; L256-K260 WeakPolarHBondContact O-CG 3.42Å; L256-K260 PolarHBondContact O-N 3.39Å
257L97.6Very high96.2Very high7 Ų735.5 Ų35.54%0.03717%0.174CC..Hα-helixtrans-61.2-54.6-177.4-72.9178.4000112.7L253 V259 K260 M261 P267 L271 L272 L277 F280L253-L257 HydrophobicContact CB-CG 4.47Å; L253-L257 HydrophobicContact CD2-CD2 4.49Å; L253-L257 HydrophobicContact CD2-CG 4.45Å; L253-L257 VanDerWaalsContact O-CB 3.32Å; L253-L257 WeakPolarHBondContact O-CB 3.41Å; L253-L257 WeakPolarHBondContact O-CG 3.24Å; L253-L257 PolarHBondContact O-N 3.24Å; L257-V259 VanDerWaalsContact C-N 3.26Å; L257-V259 PolarHBondContact O-N 2.91Å; L257-K260 PolarHBondContact O-N 3.22Å; L257-M261 VanDerWaalsContact O-CG 3.23Å; L257-M261 WeakPolarHBondContact O-CG 3.49Å; L257-M261 PolarHBondContact O-N 2.97Å; L257-P267 HydrophobicContact CD2-CB 3.53Å; L257-P267 HydrophobicContact CD2-CG 3.9Å; L257-L271 HydrophobicContact CD2-CD2 4.32Å; L257-L272 HydrophobicContact CD1-CD2 3.62Å; L257-L277 HydrophobicContact CD1-CB 4.46Å; L257-L277 HydrophobicContact CD1-CD1 3.84Å; L257-F280 HydrophobicContact CB-CD1 4.2Å; L257-F280 HydrophobicContact CB-CE1 4.05Å; L257-F280 HydrophobicContact CB-CZ 4.46Å; L257-F280 HydrophobicContact CD1-CB 4.5Å; L257-F280 HydrophobicContact CD1-CD1 4.28Å; L257-F280 HydrophobicContact CD1-CD2 4.03Å; L257-F280 HydrophobicContact CD1-CE1 4.48Å; L257-F280 HydrophobicContact CD1-CE2 4.25Å; L257-F280 HydrophobicContact CD1-CG 4.02Å; L257-F280 HydrophobicContact CD1-CZ 4.45Å
258P96.9Very high96.3Very high0 Ų031.9 Ų31.90%017%0.166CC..Hα-helixtrans-53.6-42.7175-23.729.2000113.2I254 Y255 M261 L262 F280 I311 I314 L315I254-P258 WeakPolarHBondContact O-CD 3.16Å; I254-P258 WeakPolarHBondContact O-CG 3.47Å; Y255-P258 WeakPolarHBondContact O-CD 3.44Å; P258-M261 PolarHBondContact O-N 3.1Å; P258-L262 WeakPolarHBondContact O-CG 3.45Å; P258-L262 PolarHBondContact O-N 3.36Å; P258-F280 HydrophobicContact CG-CE1 3.98Å; P258-F280 HydrophobicContact CG-CZ 4.49Å; P258-I311 HydrophobicContact CG-CB 4.43Å; P258-I311 HydrophobicContact CG-CD1 4.07Å; P258-I314 HydrophobicContact CB-CG2 3.74Å; P258-L315 HydrophobicContact CB-CD2 3.98Å; P258-L315 HydrophobicContact CG-CD2 3.93Å; P258-L315 HydrophobicContact CG-CG 4.46Å
259V97Very high96.2Very high0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-63.8-49.5-179.9175.80000111M222 F227 A230 E231 L234 Y255 L256 L257 M261 L262 L263M222-V259 HydrophobicContact CB-CG2 4.04Å; M222-V259 HydrophobicContact CG-CG2 3.6Å; M222-V259 HydrophobicContact SD-CG2 4.02Å; F227-V259 HydrophobicContact CB-CG1 4.25Å; F227-V259 HydrophobicContact CD1-CG2 4.44Å; F227-V259 WeakPolarHBondContact O-CG1 3.32Å; A230-V259 HydrophobicContact CB-CG1 4.09Å; A230-V259 HydrophobicContact CB-CG2 4.1Å; E231-V259 HydrophobicContact CB-CG1 3.76Å; L234-V259 HydrophobicContact CD1-CG2 4.41Å; Y255-V259 WeakPolarHBondContact O-CG2 3.42Å; L256-V259 PolarHBondContact O-N 3.43Å; L257-V259 VanDerWaalsContact C-N 3.26Å; L257-V259 PolarHBondContact O-N 2.91Å; V259-M261 VanDerWaalsContact C-N 3.3Å; V259-M261 PolarHBondContact O-N 3.29Å; V259-L262 WeakPolarHBondContact O-CB 3.27Å; V259-L262 PolarHBondContact O-N 2.88Å; V259-L263 HydrophobicContact CG1-CD1 4.24Å; V259-L263 WeakPolarHBondContact O-CG 3.49Å; V259-L263 PolarHBondContact O-N 3.34Å
260K96.2Very high96.2Very high52 Ų5239 Ų3923%0.22620%0.197CC..Hα-helixtrans-59.5-41.7176.8-74-79.8-174.5179.30111.2E231 S235 L256 L257 L262 L263 G264 H265E231-K260 HydrophobicContact CG-CD 3.83Å; E231-K260 HydrophobicContact CG-CG 4.49Å; E231-K260 WeakPolarHBondContact OE1-CE 3.42Å; E231-K260 IonicContact OE1-NZ 2.6Å; E231-K260 PolarHBondContact OE1-NZ 3.14Å; S235-K260 WeakPolarHBondContact OG-CE 3.46Å; S235-K260 PolarHBondContact OG-NZ 3.31Å; L256-K260 HydrophobicContact CD1-CD 4.42Å; L256-K260 HydrophobicContact CD1-CG 3.78Å; L256-K260 HydrophobicContact CG-CG 4Å; L256-K260 WeakPolarHBondContact O-CB 3.39Å; L256-K260 WeakPolarHBondContact O-CG 3.42Å; L256-K260 PolarHBondContact O-N 3.39Å; L257-K260 PolarHBondContact O-N 3.22Å; K260-L262 VanDerWaalsContact C-N 3.34Å; K260-L262 PolarHBondContact O-N 3.21Å; K260-L263 CarbonylContact O-C 3.56Å; K260-L263 PolarHBondContact O-N 3.25Å; K260-L263 VanDerWaalsContact O-N 3.17Å; K260-G264 PolarHBondContact O-N 3.24Å; K260-G264 VanDerWaalsContact O-N 3.11Å; K260-H265 CarbonylContact C-O 3.17Å; K260-H265 HydrophobicContact CB-CB 4.13Å; K260-H265 HydrophobicContact CD-CB 4.24Å; K260-H265 WeakPolarHBondContact O-CA 3.25Å; K260-H265 PolarHBondContact O-N 3.27Å
261M95.8Very high96.1Very high0 Ų038.3 Ų38.30%020%0.197CC..Hα-helixtrans-63-39.9177.2-68.1174.971.700112L257 P258 V259 L263 G264 H265 M266 V283 V287 L318L257-M261 VanDerWaalsContact O-CG 3.23Å; L257-M261 WeakPolarHBondContact O-CG 3.49Å; L257-M261 PolarHBondContact O-N 2.97Å; P258-M261 PolarHBondContact O-N 3.1Å; V259-M261 VanDerWaalsContact C-N 3.3Å; V259-M261 PolarHBondContact O-N 3.29Å; M261-L263 VanDerWaalsContact C-N 3.28Å; M261-L263 PolarHBondContact O-N 3.38Å; M261-G264 WeakPolarHBondContact O-CA 3.44Å; M261-G264 PolarHBondContact O-N 3.23Å; M261-H265 PolarHBondContact N-O 3.46Å; M261-M266 HydrophobicContact CB-CE 4.33Å; M261-M266 HydrophobicContact CB-SD 4.2Å; M261-M266 HydrophobicContact CE-SD 3.87Å; M261-M266 HydrophobicContact CG-SD 3.86Å; M261-V283 HydrophobicContact CE-CB 4.41Å; M261-V283 HydrophobicContact CE-CG1 3.77Å; M261-V287 HydrophobicContact CE-CB 4.48Å; M261-V287 HydrophobicContact CE-CG2 4.12Å; M261-L318 HydrophobicContact CB-CD1 4.5Å; M261-L318 HydrophobicContact CB-CD2 3.69Å; M261-L318 HydrophobicContact CE-CD1 3.88Å; M261-L318 HydrophobicContact SD-CD1 4.39Å
262L94.3Very high96.1Very high15 Ų1535 Ų358%0.07918%0.181CC..Hα-helixtrans-62.8-35.6174.5-74.4165.6000112.4F227 P258 V259 K260 G264 I314 K317 L318 I321F227-L262 HydrophobicContact CD1-CD1 3.81Å; F227-L262 HydrophobicContact CD2-CD1 4.37Å; F227-L262 HydrophobicContact CE1-CD1 3.52Å; F227-L262 HydrophobicContact CE2-CD1 4.11Å; F227-L262 HydrophobicContact CG-CD1 4.24Å; F227-L262 HydrophobicContact CZ-CD1 3.69Å; P258-L262 WeakPolarHBondContact O-CG 3.45Å; P258-L262 PolarHBondContact O-N 3.36Å; V259-L262 WeakPolarHBondContact O-CB 3.27Å; V259-L262 PolarHBondContact O-N 2.88Å; K260-L262 VanDerWaalsContact C-N 3.34Å; K260-L262 PolarHBondContact O-N 3.21Å; L262-G264 PolarHBondContact O-N 2.94Å; L262-I314 HydrophobicContact CD1-CG2 3.81Å; L262-K317 HydrophobicContact CD2-CB 3.93Å; L262-L318 HydrophobicContact CD2-CD2 3.75Å; L262-L318 HydrophobicContact CD2-CG 4.3Å; L262-L318 HydrophobicContact CG-CD2 3.81Å; L262-I321 VanDerWaalsContact CA-CD1 3.44Å; L262-I321 HydrophobicContact CB-CD1 4.35Å; L262-I321 HydrophobicContact CD2-CD1 3.92Å; L262-I321 WeakPolarHBondContact O-CD1 3.37Å
263L93.4Very high96Very high13 Ų1343.4 Ų43.47%0.06821%0.213CC..THydrogen-bonded Turntrans-80.10.5174.2-60.5175.2000113.3F227 K228 E231 V259 K260 M261 S397 S400F227-L263 HydrophobicContact CB-CD2 4.16Å; K228-L263 HydrophobicContact CG-CD2 4.47Å; E231-L263 HydrophobicContact CB-CD1 3.47Å; E231-L263 VanDerWaalsContact CB-CD1 3.47Å; E231-L263 HydrophobicContact CG-CD1 3.64Å; V259-L263 HydrophobicContact CG1-CD1 4.24Å; V259-L263 WeakPolarHBondContact O-CG 3.49Å; V259-L263 PolarHBondContact O-N 3.34Å; K260-L263 CarbonylContact O-C 3.56Å; K260-L263 PolarHBondContact O-N 3.25Å; K260-L263 VanDerWaalsContact O-N 3.17Å; M261-L263 VanDerWaalsContact C-N 3.28Å; M261-L263 PolarHBondContact O-N 3.38Å; L263-S397 PolarHBondContact O-N 3.13Å; L263-S400 VanDerWaalsContact CD2-OG 3.25Å; L263-S400 WeakPolarHBondContact CD2-OG 3.49Å
264G91.6Very high95.9Very high31 Ų3149.9 Ų49.932%0.3224%0.241SC..THydrogen-bonded Turntrans89.110.2177.500000116K260 M261 L262 L396K260-G264 PolarHBondContact O-N 3.24Å; K260-G264 VanDerWaalsContact O-N 3.11Å; M261-G264 WeakPolarHBondContact O-CA 3.44Å; M261-G264 PolarHBondContact O-N 3.23Å; L262-G264 PolarHBondContact O-N 2.94Å; G264-L396 VanDerWaalsContact CA-CD1 3.42Å
265H94.1Very high95.8Very high100 Ų10050.2 Ų50.246%0.46324%0.241SC..  trans-99.5107.1176.1-63.2-71.7000110.7K260 M261K260-H265 CarbonylContact C-O 3.17Å; K260-H265 HydrophobicContact CB-CB 4.13Å; K260-H265 HydrophobicContact CD-CB 4.24Å; K260-H265 WeakPolarHBondContact O-CA 3.25Å; K260-H265 PolarHBondContact O-N 3.27Å; M261-H265 PolarHBondContact N-O 3.46Å
266M94.4Very high95.7Very high58 Ų5854 Ų5429%0.28626%0.263SS..PPolyproline II helixtrans-87.4136.5-178.2-64.7-60.2158.300111.6M261 T284 V287 S288M261-M266 HydrophobicContact CB-CE 4.33Å; M261-M266 HydrophobicContact CB-SD 4.2Å; M261-M266 HydrophobicContact CE-SD 3.87Å; M261-M266 HydrophobicContact CG-SD 3.86Å; M266-T284 HydrophobicContact CB-CG2 3.77Å; M266-T284 HydrophobicContact CG-CG2 4.28Å; M266-T284 HydrophobicContact SD-CG2 4.09Å; M266-V287 HydrophobicContact CE-CB 3.95Å; M266-V287 HydrophobicContact CE-CG1 3.4Å; M266-V287 HydrophobicContact SD-CB 4.44Å; M266-V287 HydrophobicContact SD-CG1 4.49Å; M266-S288 WeakPolarHBondContact CG-OG 3.36Å
267P96.1Very high95.7Very high18 Ų1853.5 Ų53.512%0.11726%0.261CS..PPolyproline II helixtrans-71.8151.817829.1-35.3000112.8L257 L271 L272 T284L257-P267 HydrophobicContact CD2-CB 3.53Å; L257-P267 HydrophobicContact CD2-CG 3.9Å; P267-L271 HydrophobicContact CB-CD2 4.3Å; P267-L272 HydrophobicContact CB-CD2 4.05Å; P267-L272 HydrophobicContact CB-CG 4.38Å; P267-L272 HydrophobicContact CG-CD1 4.46Å; P267-L272 HydrophobicContact CG-CD2 4.14Å; P267-T284 HydrophobicContact CG-CG2 4.05Å; P267-T284 VanDerWaalsContact CG-OG1 3.29Å; P267-T284 WeakPolarHBondContact CG-OG1 3.13Å
268T96.3Very high95.6Very high87 Ų8756.5 Ų56.553%0.53428%0.276SS..PPolyproline II helixtrans-81.6148.2172.765.40000111.2Q270 L271 L272T268-Q270 PolarHBondContact O-N 2.87Å; T268-L271 WeakPolarHBondContact O-CB 3.49Å; T268-L271 PolarHBondContact O-N 3.12Å; T268-L271 VanDerWaalsContact O-N 3.09Å; T268-L271 PolarHBondContact OG1-N 2.59Å; T268-L272 PolarHBondContact O-N 3.26Å
269H95Very high95.6Very high88 Ų8858 Ų5841%0.40728%0.283SS..Hα-helixtrans-60.4-30178.2-162.9-59.4000112.9R273 I278H269-R273 PolarHBondContact CE1-NE 3.25Å; H269-R273 PolarHBondContact CE1-NH2 3.32Å; H269-R273 PolarHBondContact ND1-NE 3.48Å; H269-R273 PolarHBondContact O-N 3.48Å; H269-R273 VanDerWaalsContact O-N 3.1Å; H269-I278 WeakPolarHBondContact CE1-CD1 3.46Å
270Q96.8Very high95.5Very high163 Ų16358 Ų5876%0.76228%0.283SS*.Hα-helixtrans-66.6-41.8175.6-66.61790.300111.9T268 L272 R273 K274T268-Q270 PolarHBondContact O-N 2.87Å; Q270-L272 VanDerWaalsContact C-N 3.35Å; Q270-R273 PolarHBondContact O-N 3.23Å; Q270-K274 WeakPolarHBondContact O-CB 3.31Å; Q270-K274 PolarHBondContact O-N 3.01Å
271L95.9Very high95.6Very high50 Ų5056.3 Ų56.326%0.26228%0.279SS..Hα-helixtrans-61.3-45.2176.3-179.370.7000110.9L253 L257 P267 T268 K274 Y275L253-L271 HydrophobicContact CD1-CD1 4.46Å; L253-L271 HydrophobicContact CD2-CD2 4.45Å; L257-L271 HydrophobicContact CD2-CD2 4.32Å; P267-L271 HydrophobicContact CB-CD2 4.3Å; T268-L271 WeakPolarHBondContact O-CB 3.49Å; T268-L271 PolarHBondContact O-N 3.12Å; T268-L271 VanDerWaalsContact O-N 3.09Å; T268-L271 PolarHBondContact OG1-N 2.59Å; L271-K274 PolarHBondContact O-N 2.99Å; L271-Y275 HydrophobicContact CD1-CD2 3.81Å; L271-Y275 HydrophobicContact CD1-CE2 3.64Å; L271-Y275 HydrophobicContact CG-CD2 4.46Å; L271-Y275 WeakPolarHBondContact O-CD2 3.48Å; L271-Y275 PolarHBondContact O-N 2.94Å
272L96.9Very high95.6Very high3 Ų358.6 Ų58.62%0.01629%0.291CS..Hα-helixtrans-62.4-43.6179.6-61.5-176.2000112.1L257 P267 T268 Q270 D276 L277 F280 A281L257-L272 HydrophobicContact CD1-CD2 3.62Å; P267-L272 HydrophobicContact CB-CD2 4.05Å; P267-L272 HydrophobicContact CB-CG 4.38Å; P267-L272 HydrophobicContact CG-CD1 4.46Å; P267-L272 HydrophobicContact CG-CD2 4.14Å; T268-L272 PolarHBondContact O-N 3.26Å; Q270-L272 VanDerWaalsContact C-N 3.35Å; L272-D276 PolarHBondContact O-N 2.99Å; L272-D276 VanDerWaalsContact O-N 3.13Å; L272-L277 HydrophobicContact CD2-CB 4.1Å; L272-L277 PolarHBondContact O-N 3.46Å; L272-F280 HydrophobicContact CD1-CB 4.04Å; L272-F280 HydrophobicContact CD2-CB 3.92Å; L272-A281 HydrophobicContact CD1-CB 3.99Å
273R96.6Very high95.7Very high181 Ų18157.9 Ų57.968%0.68329%0.287SS*.Hα-helixtrans-62.7-44.2175.2-76.4-175.3179.5164.59.7112H269 Q270 Y275 D276 I278H269-R273 PolarHBondContact CE1-NE 3.25Å; H269-R273 PolarHBondContact CE1-NH2 3.32Å; H269-R273 PolarHBondContact ND1-NE 3.48Å; H269-R273 PolarHBondContact O-N 3.48Å; H269-R273 VanDerWaalsContact O-N 3.1Å; Q270-R273 PolarHBondContact O-N 3.23Å; R273-Y275 PolarHBondContact O-N 3.3Å; R273-D276 PolarHBondContact O-N 3.15Å; R273-I278 HydrophobicContact CG-CD1 4.26Å
274K95.5Very high95.9Very high141 Ų14157.9 Ų57.961%0.61329%0.288SS*.Hα-helixtrans-58.2-35.6-177.6179.5173.6179.51700113.3Q270 L271Q270-K274 WeakPolarHBondContact O-CB 3.31Å; Q270-K274 PolarHBondContact O-N 3.01Å; L271-K274 PolarHBondContact O-N 2.99Å
275Y95.9Very high96.1Very high16 Ų1661.6 Ų61.66%0.06330%0.295CS..THydrogen-bonded Turntrans-110.112.6-176.5-66.2-76.5000114F238 K249 R250 L253 L271 R273F238-Y275 HydrophobicContact CE2-CE2 4.21Å; F238-Y275 AromaticContact CE2-CZ 4Å; F238-Y275 AromaticContact CZ-CE2 3.93Å; F238-Y275 HydrophobicContact CZ-CE2 3.93Å; F238-Y275 AromaticContact CZ-CZ 3.92Å; K249-Y275 HydrophobicContact CB-CD1 4.15Å; K249-Y275 HydrophobicContact CB-CE1 3.53Å; K249-Y275 HydrophobicContact CD-CE1 4.08Å; K249-Y275 WeakPolarHBondContact CD-OH 3.49Å; K249-Y275 HydrophobicContact CG-CE1 4.43Å; R250-Y275 WeakPolarHBondContact CD-O 3.46Å; R250-Y275 VanDerWaalsContact CG-O 3.28Å; R250-Y275 WeakPolarHBondContact CG-O 3.44Å; R250-Y275 PolarHBondContact NE-O 3.32Å; R250-Y275 VanDerWaalsContact NE-O 3.11Å; L253-Y275 HydrophobicContact CD1-CD1 4.08Å; L253-Y275 HydrophobicContact CD1-CD2 3.2Å; L253-Y275 HydrophobicContact CD1-CE1 4.47Å; L253-Y275 HydrophobicContact CD1-CE2 3.67Å; L253-Y275 HydrophobicContact CD1-CG 3.43Å; L253-Y275 VanDerWaalsContact CD1-CG 3.43Å; L271-Y275 HydrophobicContact CD1-CD2 3.81Å; L271-Y275 HydrophobicContact CD1-CE2 3.64Å; L271-Y275 HydrophobicContact CG-CD2 4.46Å; L271-Y275 WeakPolarHBondContact O-CD2 3.48Å; L271-Y275 PolarHBondContact O-N 2.94Å; R273-Y275 PolarHBondContact O-N 3.3Å
276D96.2Very high96.2Very high100 Ų10056.8 Ų56.854%0.53527%0.273SS..THydrogen-bonded Turntrans54.257.3-179.8-174.243.9000112.8R250 L272 R273R250-D276 PolarHBondContact NE-O 3.02Å; R250-D276 PolarHBondContact NH2-O 3.46Å; R250-D276 IonicContact NH2-OD2 2.85Å; L272-D276 PolarHBondContact O-N 2.99Å; L272-D276 VanDerWaalsContact O-N 3.13Å; R273-D276 PolarHBondContact O-N 3.15Å
277L96.8Very high96.3Very high1 Ų154 Ų541%0.00526%0.259CS..  trans-128.735.2-179.1-65.3174.7000111.4R250 L253 I254 L257 L272 Q279 F280 F305R250-L277 HydrophobicContact CG-CD2 4.19Å; R250-L277 HydrophobicContact CG-CG 4.37Å; L253-L277 HydrophobicContact CB-CD1 3.56Å; L253-L277 HydrophobicContact CD1-CD1 4.19Å; I254-L277 HydrophobicContact CD1-CD2 4.26Å; I254-L277 HydrophobicContact CG1-CD2 3.62Å; L257-L277 HydrophobicContact CD1-CB 4.46Å; L257-L277 HydrophobicContact CD1-CD1 3.84Å; L272-L277 HydrophobicContact CD2-CB 4.1Å; L272-L277 PolarHBondContact O-N 3.46Å; L277-Q279 VanDerWaalsContact C-OE1 3.25Å; L277-Q279 PolarHBondContact O-N 3.21Å; L277-Q279 VanDerWaalsContact O-N 3.13Å; L277-F280 HydrophobicContact CB-CD2 4.02Å; L277-F280 HydrophobicContact CB-CE2 4.48Å; L277-F280 HydrophobicContact CD2-CE2 4.17Å; L277-F280 PolarHBondContact O-N 2.93Å; L277-F280 VanDerWaalsContact O-N 3.14Å; L277-F305 HydrophobicContact CD2-CZ 4.24Å
278I96.6Very high96.3Very high70 Ų7056.1 Ų56.136%0.35927%0.274SS..THydrogen-bonded Turntrans-63.2-20.3-175.9-158.664.3000113.2H269 R273 F280 A281H269-I278 WeakPolarHBondContact CE1-CD1 3.46Å; R273-I278 HydrophobicContact CG-CD1 4.26Å; I278-F280 PolarHBondContact O-N 3.06Å; I278-F280 VanDerWaalsContact O-N 3.11Å; I278-A281 HydrophobicContact CD1-CB 4.08Å; I278-A281 HydrophobicContact CG1-CB 4.44Å; I278-A281 WeakPolarHBondContact O-CB 3.36Å; I278-A281 PolarHBondContact O-N 3.34Å
279Q95.4Very high96.2Very high32 Ų3255.5 Ų55.515%0.1527%0.265CS..Hα-helixtrans-57.3-25.8175.6-57.282.2-1.600112.1L277 A281 H302 F305 F306L277-Q279 VanDerWaalsContact C-OE1 3.25Å; L277-Q279 PolarHBondContact O-N 3.21Å; L277-Q279 VanDerWaalsContact O-N 3.13Å; Q279-A281 VanDerWaalsContact C-N 3.34Å; Q279-H302 HydrophobicContact CB-CB 4.24Å; Q279-H302 HydrophobicContact CG-CB 4.45Å; Q279-F305 HydrophobicContact CB-CD1 3.98Å; Q279-F305 HydrophobicContact CB-CE1 4.06Å; Q279-F305 HydrophobicContact CG-CD1 3.89Å; Q279-F305 HydrophobicContact CG-CE1 4.14Å; Q279-F305 HydrophobicContact CG-CG 4.19Å; Q279-F306 HydrophobicContact CB-CE1 4.21Å; Q279-F306 HydrophobicContact CB-CZ 4.12Å
280F96.9Very high96.3Very high0 Ų051.3 Ų51.30%025%0.246CC..Hα-helixtrans-80.8-9.3176.3-71.5-93.6000113.9L257 P258 L272 L277 I278 T284 F305 F306 I311 L315L257-F280 HydrophobicContact CB-CD1 4.2Å; L257-F280 HydrophobicContact CB-CE1 4.05Å; L257-F280 HydrophobicContact CB-CZ 4.46Å; L257-F280 HydrophobicContact CD1-CB 4.5Å; L257-F280 HydrophobicContact CD1-CD1 4.28Å; L257-F280 HydrophobicContact CD1-CD2 4.03Å; L257-F280 HydrophobicContact CD1-CE1 4.48Å; L257-F280 HydrophobicContact CD1-CE2 4.25Å; L257-F280 HydrophobicContact CD1-CG 4.02Å; L257-F280 HydrophobicContact CD1-CZ 4.45Å; P258-F280 HydrophobicContact CG-CE1 3.98Å; P258-F280 HydrophobicContact CG-CZ 4.49Å; L272-F280 HydrophobicContact CD1-CB 4.04Å; L272-F280 HydrophobicContact CD2-CB 3.92Å; L277-F280 HydrophobicContact CB-CD2 4.02Å; L277-F280 HydrophobicContact CB-CE2 4.48Å; L277-F280 HydrophobicContact CD2-CE2 4.17Å; L277-F280 PolarHBondContact O-N 2.93Å; L277-F280 VanDerWaalsContact O-N 3.14Å; I278-F280 PolarHBondContact O-N 3.06Å; I278-F280 VanDerWaalsContact O-N 3.11Å; F280-T284 VanDerWaalsContact O-CB 3.29Å; F280-T284 WeakPolarHBondContact O-CB 3.41Å; F280-T284 PolarHBondContact O-N 2.98Å; F280-T284 PolarHBondContact O-OG1 3.23Å; F280-F305 HydrophobicContact CE2-CE1 4.06Å; F280-F306 HydrophobicContact CD2-CE1 4.45Å; F280-F306 HydrophobicContact CE1-CE1 4.34Å; F280-F306 HydrophobicContact CE2-CE1 4.21Å; F280-F306 HydrophobicContact CZ-CE1 4.17Å; F280-I311 HydrophobicContact CE1-CD1 3.99Å; F280-I311 HydrophobicContact CE2-CD1 4.46Å; F280-I311 HydrophobicContact CZ-CD1 3.45Å; F280-I311 VanDerWaalsContact CZ-CD1 3.45Å; F280-L315 HydrophobicContact CE1-CD1 4.49Å; F280-L315 HydrophobicContact CE1-CD2 4.11Å
281A96.8Very high96.3Very high16 Ų1645.4 Ų45.413%0.13222%0.219CC..Hα-helixtrans-65.6-49.7-174.700000111.6L272 I278 Q279 V283 T284 K285L272-A281 HydrophobicContact CD1-CB 3.99Å; I278-A281 HydrophobicContact CD1-CB 4.08Å; I278-A281 HydrophobicContact CG1-CB 4.44Å; I278-A281 WeakPolarHBondContact O-CB 3.36Å; I278-A281 PolarHBondContact O-N 3.34Å; Q279-A281 VanDerWaalsContact C-N 3.34Å; A281-V283 VanDerWaalsContact C-N 3.34Å; A281-V283 PolarHBondContact O-N 2.82Å; A281-T284 PolarHBondContact O-N 2.83Å; A281-K285 PolarHBondContact O-N 2.98Å
282D95.6Very high96.3Very high48 Ų4843.2 Ų43.226%0.25721%0.208SC..Hα-helixtrans-64.4-40.7179.5-65.4-20.6000110.6T284 K285 A286 A298 K301D282-T284 PolarHBondContact O-N 3.47Å; D282-K285 PolarHBondContact O-N 3.33Å; D282-A286 VanDerWaalsContact O-CB 3.29Å; D282-A286 WeakPolarHBondContact O-CB 3.02Å; D282-A286 PolarHBondContact O-N 3.2Å; D282-A298 HydrophobicContact CB-CB 3.63Å; D282-K301 IonicContact OD2-NZ 3.11Å; D282-K301 PolarHBondContact OD2-NZ 3.05Å; D282-K301 VanDerWaalsContact OD2-NZ 3.11Å
283V97.3Very high96.2Very high0 Ų045.2 Ų45.20%022%0.218CC..Hα-helixtrans-60.4-46.3174.1-173.60000111M261 A281 K285 A286 V287 L295 A298 L299 F306 L315 L318M261-V283 HydrophobicContact CE-CB 4.41Å; M261-V283 HydrophobicContact CE-CG1 3.77Å; A281-V283 VanDerWaalsContact C-N 3.34Å; A281-V283 PolarHBondContact O-N 2.82Å; V283-K285 VanDerWaalsContact C-N 3.35Å; V283-K285 PolarHBondContact O-N 3.16Å; V283-A286 PolarHBondContact O-N 2.8Å; V283-V287 HydrophobicContact CG1-CG2 4.41Å; V283-V287 VanDerWaalsContact O-CG2 3.3Å; V283-V287 WeakPolarHBondContact O-CG2 3.47Å; V283-V287 PolarHBondContact O-N 2.81Å; V283-L295 HydrophobicContact CG1-CD1 3.76Å; V283-A298 HydrophobicContact CG2-CB 3.99Å; V283-L299 HydrophobicContact CG2-CD2 4.4Å; V283-F306 HydrophobicContact CG2-CE2 4.26Å; V283-F306 HydrophobicContact CG2-CZ 4.02Å; V283-L315 HydrophobicContact CG1-CD2 4.39Å; V283-L318 HydrophobicContact CG1-CD1 3.79Å
284T96.6Very high96.3Very high13 Ų1338 Ų388%0.0819%0.193CC..Hα-helixtrans-62.1-44.2-179.4-600000111.5M266 P267 F280 A281 D282 S288M266-T284 HydrophobicContact CB-CG2 3.77Å; M266-T284 HydrophobicContact CG-CG2 4.28Å; M266-T284 HydrophobicContact SD-CG2 4.09Å; P267-T284 HydrophobicContact CG-CG2 4.05Å; P267-T284 VanDerWaalsContact CG-OG1 3.29Å; P267-T284 WeakPolarHBondContact CG-OG1 3.13Å; F280-T284 VanDerWaalsContact O-CB 3.29Å; F280-T284 WeakPolarHBondContact O-CB 3.41Å; F280-T284 PolarHBondContact O-N 2.98Å; F280-T284 PolarHBondContact O-OG1 3.23Å; A281-T284 PolarHBondContact O-N 2.83Å; D282-T284 PolarHBondContact O-N 3.47Å; T284-S288 VanDerWaalsContact O-CB 3.31Å; T284-S288 WeakPolarHBondContact O-CB 3.26Å; T284-S288 PolarHBondContact O-N 3.17Å; T284-S288 VanDerWaalsContact O-N 3.08Å; T284-S288 PolarHBondContact O-OG 3.03Å
285K96.5Very high96.3Very high108 Ų10831.3 Ų31.347%0.4716%0.164SC..Hα-helixtrans-61.7-49.6175.7-175.1-179.7176.2-172.70110.8A281 D282 V283 V287 S288 E289 L294A281-K285 PolarHBondContact O-N 2.98Å; D282-K285 PolarHBondContact O-N 3.33Å; V283-K285 VanDerWaalsContact C-N 3.35Å; V283-K285 PolarHBondContact O-N 3.16Å; K285-V287 PolarHBondContact O-N 3.13Å; K285-S288 PolarHBondContact O-N 2.7Å; K285-E289 WeakPolarHBondContact CE-OE1 3.37Å; K285-E289 HydrophobicContact CG-CG 4.44Å; K285-E289 WeakPolarHBondContact CG-OE1 3.35Å; K285-E289 WeakPolarHBondContact O-CB 3.3Å; K285-E289 WeakPolarHBondContact O-CG 3.31Å; K285-E289 PolarHBondContact O-N 3.3Å; K285-L294 HydrophobicContact CB-CD2 4.38Å; K285-L294 HydrophobicContact CD-CD2 4.07Å; K285-L294 HydrophobicContact CG-CD2 4.14Å
286A97.1Very high96.3Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-57.2-49.8-178.800000112.4D282 V283 S288 E289 G290 N291 L294 L295D282-A286 VanDerWaalsContact O-CB 3.29Å; D282-A286 WeakPolarHBondContact O-CB 3.02Å; D282-A286 PolarHBondContact O-N 3.2Å; V283-A286 PolarHBondContact O-N 2.8Å; A286-S288 PolarHBondContact O-N 3.46Å; A286-E289 PolarHBondContact O-N 3.5Å; A286-G290 PolarHBondContact O-N 3.47Å; A286-N291 PolarHBondContact O-N 3.48Å; A286-L294 HydrophobicContact CB-CB 4.01Å; A286-L294 HydrophobicContact CB-CD2 4.01Å; A286-L294 HydrophobicContact CB-CG 3.9Å; A286-L295 HydrophobicContact CB-CB 3.76Å; A286-L295 HydrophobicContact CB-CD1 4.35Å
287V96.7Very high96.3Very high0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-65.5-42.9179.9-1770000111.1M261 M266 V283 K285 E289 G290 L295 L318 I321 N325M261-V287 HydrophobicContact CE-CB 4.48Å; M261-V287 HydrophobicContact CE-CG2 4.12Å; M266-V287 HydrophobicContact CE-CB 3.95Å; M266-V287 HydrophobicContact CE-CG1 3.4Å; M266-V287 HydrophobicContact SD-CB 4.44Å; M266-V287 HydrophobicContact SD-CG1 4.49Å; V283-V287 HydrophobicContact CG1-CG2 4.41Å; V283-V287 VanDerWaalsContact O-CG2 3.3Å; V283-V287 WeakPolarHBondContact O-CG2 3.47Å; V283-V287 PolarHBondContact O-N 2.81Å; K285-V287 PolarHBondContact O-N 3.13Å; V287-E289 VanDerWaalsContact C-N 3.3Å; V287-E289 PolarHBondContact O-N 3.05Å; V287-G290 PolarHBondContact O-N 2.75Å; V287-L295 HydrophobicContact CG2-CD1 4.22Å; V287-L318 HydrophobicContact CG2-CB 3.83Å; V287-L318 HydrophobicContact CG2-CD1 4.15Å; V287-L318 HydrophobicContact CG2-CD2 4.49Å; V287-L318 HydrophobicContact CG2-CG 4.4Å; V287-I321 HydrophobicContact CG1-CB 4.23Å; V287-I321 HydrophobicContact CG1-CG2 3.73Å; V287-N325 PolarHBondContact O-ND2 3.34Å
288S95Very high96.3Very high61 Ų6134.4 Ų34.443%0.42718%0.178SC..Hα-helixtrans-62.1-39179.3-59.10000112.1M266 T284 K285 A286M266-S288 WeakPolarHBondContact CG-OG 3.36Å; T284-S288 VanDerWaalsContact O-CB 3.31Å; T284-S288 WeakPolarHBondContact O-CB 3.26Å; T284-S288 PolarHBondContact O-N 3.17Å; T284-S288 VanDerWaalsContact O-N 3.08Å; T284-S288 PolarHBondContact O-OG 3.03Å; K285-S288 PolarHBondContact O-N 2.7Å; A286-S288 PolarHBondContact O-N 3.46Å
289E95.2Very high96.3Very high75 Ų7531.2 Ų31.235%0.3516%0.162SC..Hα-helixtrans-84.7-9179.4-68.1175.4-174.800113.1K285 A286 V287 N291 K329K285-E289 WeakPolarHBondContact CE-OE1 3.37Å; K285-E289 HydrophobicContact CG-CG 4.44Å; K285-E289 WeakPolarHBondContact CG-OE1 3.35Å; K285-E289 WeakPolarHBondContact O-CB 3.3Å; K285-E289 WeakPolarHBondContact O-CG 3.31Å; K285-E289 PolarHBondContact O-N 3.3Å; A286-E289 PolarHBondContact O-N 3.5Å; V287-E289 VanDerWaalsContact C-N 3.3Å; V287-E289 PolarHBondContact O-N 3.05Å; E289-N291 HydrophobicContact CB-CB 4.28Å; E289-N291 PolarHBondContact O-N 3.25Å; E289-K329 WeakPolarHBondContact O-CD 3.41Å; E289-K329 WeakPolarHBondContact O-CE 3.34Å; E289-K329 PolarHBondContact O-NZ 3.46Å
290G95.9Very high96.4Very high0 Ų033.6 Ų33.60%018%0.182CC..THydrogen-bonded Turntrans63.131.4-170.900000112.5A286 V287 T322 L326A286-G290 PolarHBondContact O-N 3.47Å; V287-G290 PolarHBondContact O-N 2.75Å; G290-T322 VanDerWaalsContact C-CG2 3.5Å; G290-T322 WeakPolarHBondContact CA-O 3.5Å; G290-L326 WeakPolarHBondContact O-CB 3.2Å
291N97Very high96.4Very high39 Ų3940 Ų4021%0.20921%0.21CC..  trans-95.299.8-179.2-174.3-22.5000109.8A286 E289 L293 L294 L295 M351A286-N291 PolarHBondContact O-N 3.48Å; E289-N291 HydrophobicContact CB-CB 4.28Å; E289-N291 PolarHBondContact O-N 3.25Å; N291-L293 PolarHBondContact OD1-N 3.38Å; N291-L294 HydrophobicContact CB-CB 4.1Å; N291-L294 VanDerWaalsContact CG-CB 3.48Å; N291-L294 WeakPolarHBondContact OD1-CB 3.43Å; N291-L294 PolarHBondContact OD1-N 3.11Å; N291-L295 PolarHBondContact O-N 3.48Å; N291-L295 VanDerWaalsContact O-N 3.16Å; N291-M351 HydrophobicContact CB-SD 4.43Å
292L95.6Very high96.3Very high3 Ų341.1 Ų41.12%0.01621%0.213CC..Hα-helixtrans-70.8-36-177.8-68.7159.7000112.6L295 N296 T322 Y323 L326 L348 M351 V353L292-L295 WeakPolarHBondContact O-CB 3.2Å; L292-L295 PolarHBondContact O-N 3.19Å; L292-N296 PolarHBondContact O-N 2.98Å; L292-N296 PolarHBondContact O-ND2 2.97Å; L292-T322 HydrophobicContact CD2-CG2 3.66Å; L292-T322 HydrophobicContact CG-CG2 3.9Å; L292-Y323 HydrophobicContact CD1-CD1 3.43Å; L292-Y323 VanDerWaalsContact CD1-CD1 3.43Å; L292-Y323 HydrophobicContact CD1-CE1 3.18Å; L292-Y323 HydrophobicContact CD1-CG 4.23Å; L292-Y323 HydrophobicContact CD2-CD1 4.18Å; L292-Y323 HydrophobicContact CD2-CD2 4.14Å; L292-Y323 HydrophobicContact CD2-CE1 4.09Å; L292-Y323 HydrophobicContact CD2-CE2 4.06Å; L292-Y323 HydrophobicContact CD2-CG 4.17Å; L292-Y323 HydrophobicContact CG-CD1 4.38Å; L292-Y323 HydrophobicContact CG-CE1 4.26Å; L292-L326 HydrophobicContact CD1-CD2 3.94Å; L292-L348 HydrophobicContact CD1-CD2 4.02Å; L292-M351 HydrophobicContact CB-CB 4.16Å; L292-M351 HydrophobicContact CB-CG 4.46Å; L292-M351 HydrophobicContact CD1-CB 4.47Å; L292-V353 HydrophobicContact CD1-CG2 4.09Å
293L96.3Very high96.3Very high45 Ų4542.8 Ų42.824%0.23622%0.219CC..Hα-helixtrans-60.6-52.9177.9-179.959.9000110.4N291 L295 N296 E297 Q352N291-L293 PolarHBondContact OD1-N 3.38Å; L293-L295 PolarHBondContact O-N 2.93Å; L293-N296 PolarHBondContact O-N 3.07Å; L293-N296 VanDerWaalsContact O-N 3.17Å; L293-E297 WeakPolarHBondContact O-CG 3.36Å; L293-E297 PolarHBondContact O-N 3.35Å; L293-Q352 HydrophobicContact CD1-CB 4.38Å; L293-Q352 HydrophobicContact CD2-CG 4.41Å
294L96.8Very high96.3Very high31 Ų3148.4 Ų48.416%0.16225%0.253CS..Hα-helixtrans-61.2-34.8177.5-177.864.1000111.9K285 A286 N291 A298K285-L294 HydrophobicContact CB-CD2 4.38Å; K285-L294 HydrophobicContact CD-CD2 4.07Å; K285-L294 HydrophobicContact CG-CD2 4.14Å; A286-L294 HydrophobicContact CB-CB 4.01Å; A286-L294 HydrophobicContact CB-CD2 4.01Å; A286-L294 HydrophobicContact CB-CG 3.9Å; N291-L294 HydrophobicContact CB-CB 4.1Å; N291-L294 VanDerWaalsContact CG-CB 3.48Å; N291-L294 WeakPolarHBondContact OD1-CB 3.43Å; N291-L294 PolarHBondContact OD1-N 3.11Å; L294-A298 WeakPolarHBondContact O-CB 3.47Å; L294-A298 PolarHBondContact O-N 2.9Å
295L96.9Very high96.2Very high0 Ų049.6 Ų49.60%026%0.257CS..Hα-helixtrans-63.9-49176.4-179.460.9000110.7V283 A286 V287 N291 L292 L293 E297 A298 L299 K319 T322V283-L295 HydrophobicContact CG1-CD1 3.76Å; A286-L295 HydrophobicContact CB-CB 3.76Å; A286-L295 HydrophobicContact CB-CD1 4.35Å; V287-L295 HydrophobicContact CG2-CD1 4.22Å; N291-L295 PolarHBondContact O-N 3.48Å; N291-L295 VanDerWaalsContact O-N 3.16Å; L292-L295 WeakPolarHBondContact O-CB 3.2Å; L292-L295 PolarHBondContact O-N 3.19Å; L293-L295 PolarHBondContact O-N 2.93Å; L295-E297 PolarHBondContact O-N 3.28Å; L295-A298 PolarHBondContact O-N 2.89Å; L295-L299 HydrophobicContact CD1-CD1 4.1Å; L295-L299 HydrophobicContact CD1-CG 4.15Å; L295-L299 HydrophobicContact CG-CD1 4.05Å; L295-L299 HydrophobicContact CG-CG 4.47Å; L295-L299 VanDerWaalsContact O-CG 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.21Å; L295-L299 PolarHBondContact O-N 3.34Å; L295-K319 HydrophobicContact CD2-CB 4.48Å; L295-K319 HydrophobicContact CD2-CG 3.77Å; L295-T322 HydrophobicContact CD2-CG2 4.29Å; L295-T322 WeakPolarHBondContact CD2-OG1 3.28Å
296N95.9Very high96.3Very high71 Ų7144.5 Ų44.538%0.3824%0.235SC..Hα-helixtrans-61.5-44.2179-70.6-23.1000111.4L292 L293 A298 L299 S300 K319L292-N296 PolarHBondContact O-N 2.98Å; L292-N296 PolarHBondContact O-ND2 2.97Å; L293-N296 PolarHBondContact O-N 3.07Å; L293-N296 VanDerWaalsContact O-N 3.17Å; N296-A298 PolarHBondContact O-N 2.93Å; N296-L299 PolarHBondContact O-N 3.2Å; N296-S300 WeakPolarHBondContact O-CB 3.48Å; N296-S300 PolarHBondContact O-N 3.08Å; N296-K319 WeakPolarHBondContact OD1-CE 3.33Å; N296-K319 PolarHBondContact OD1-NZ 3.17Å
297E96.4Very high96.2Very high108 Ų10848.9 Ų48.951%0.50526%0.258SS..Hα-helixtrans-60.4-45174.8-71.2176.4170.400112L293 L295 L299 S300 K301L293-E297 WeakPolarHBondContact O-CG 3.36Å; L293-E297 PolarHBondContact O-N 3.35Å; L295-E297 PolarHBondContact O-N 3.28Å; E297-L299 PolarHBondContact O-N 3.47Å; E297-S300 PolarHBondContact O-N 3.46Å; E297-K301 WeakPolarHBondContact O-CB 3.49Å; E297-K301 PolarHBondContact O-N 2.86Å
298A96.6Very high96.1Very high2 Ų259.9 Ų59.92%0.01730%0.299CS..Hα-helixtrans-64.6-40.4179.600000112.3D282 V283 L294 L295 N296 H302D282-A298 HydrophobicContact CB-CB 3.63Å; V283-A298 HydrophobicContact CG2-CB 3.99Å; L294-A298 WeakPolarHBondContact O-CB 3.47Å; L294-A298 PolarHBondContact O-N 2.9Å; L295-A298 PolarHBondContact O-N 2.89Å; N296-A298 PolarHBondContact O-N 2.93Å; A298-H302 PolarHBondContact O-N 3.41Å
299L96.4Very high96Very high3 Ų358 Ų582%0.01629%0.285CS..Hα-helixtrans-68.1-41.5176.9-67.7177.1000111.5V283 L295 N296 E297 H302 E303 F306 F312 L315 E316V283-L299 HydrophobicContact CG2-CD2 4.4Å; L295-L299 HydrophobicContact CD1-CD1 4.1Å; L295-L299 HydrophobicContact CD1-CG 4.15Å; L295-L299 HydrophobicContact CG-CD1 4.05Å; L295-L299 HydrophobicContact CG-CG 4.47Å; L295-L299 VanDerWaalsContact O-CG 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.21Å; L295-L299 PolarHBondContact O-N 3.34Å; N296-L299 PolarHBondContact O-N 3.2Å; E297-L299 PolarHBondContact O-N 3.47Å; L299-H302 CarbonylContact O-C 3.59Å; L299-E303 WeakPolarHBondContact O-CA 3.32Å; L299-E303 WeakPolarHBondContact O-CB 3.46Å; L299-E303 PolarHBondContact O-N 2.86Å; L299-F306 HydrophobicContact CD2-CD2 4.15Å; L299-F306 HydrophobicContact CD2-CE2 4.05Å; L299-F312 HydrophobicContact CB-CE2 4.3Å; L299-L315 HydrophobicContact CD2-CB 3.71Å; L299-L315 HydrophobicContact CD2-CD1 4.06Å; L299-L315 HydrophobicContact CD2-CG 4.5Å; L299-E316 VanDerWaalsContact CD1-OE1 3.29Å; L299-E316 WeakPolarHBondContact CD1-OE1 3.33Å
300S96.4Very high96Very high82 Ų8256.1 Ų56.157%0.57329%0.287SS*.Hα-helixtrans-66.9-48.6176.6-179.90000112N296 E297 H302 E303N296-S300 WeakPolarHBondContact O-CB 3.48Å; N296-S300 PolarHBondContact O-N 3.08Å; E297-S300 PolarHBondContact O-N 3.46Å; S300-H302 PolarHBondContact O-N 2.79Å; S300-H302 VanDerWaalsContact O-N 3.16Å; S300-E303 VanDerWaalsContact O-CB 3.31Å; S300-E303 WeakPolarHBondContact O-CB 3.33Å; S300-E303 PolarHBondContact O-N 3.41Å
301K96.8Very high96Very high136 Ų13656.1 Ų56.159%0.59129%0.287SS*.Hα-helixtrans-56.8-34.7179.5179.2-176.9171.5-169.80113.3D282 E297D282-K301 IonicContact OD2-NZ 3.11Å; D282-K301 PolarHBondContact OD2-NZ 3.05Å; D282-K301 VanDerWaalsContact OD2-NZ 3.11Å; E297-K301 WeakPolarHBondContact O-CB 3.49Å; E297-K301 PolarHBondContact O-N 2.86Å
302H95.6Very high95.9Very high39 Ų3956.3 Ų56.318%0.18129%0.286CS..THydrogen-bonded Turntrans-114.820.5-177.8-63.3-49.8000113.4Q279 A298 L299 S300 T304 F305 F306Q279-H302 HydrophobicContact CB-CB 4.24Å; Q279-H302 HydrophobicContact CG-CB 4.45Å; A298-H302 PolarHBondContact O-N 3.41Å; L299-H302 CarbonylContact O-C 3.59Å; S300-H302 PolarHBondContact O-N 2.79Å; S300-H302 VanDerWaalsContact O-N 3.16Å; H302-T304 PolarHBondContact O-N 3.48Å; H302-F305 WeakPolarHBondContact O-CB 3.4Å; H302-F305 PolarHBondContact O-N 3.48Å; H302-F305 VanDerWaalsContact O-N 3.1Å; H302-F306 HydrophobicContact CB-CD2 4.03Å; H302-F306 HydrophobicContact CB-CE2 3.56Å; H302-F306 HydrophobicContact CB-CZ 3.98Å; H302-F306 VanDerWaalsContact O-CD2 3.31Å; H302-F306 WeakPolarHBondContact O-CD2 3.48Å; H302-F306 PolarHBondContact O-N 3.36Å; H302-F306 VanDerWaalsContact O-N 3.12Å
303E95.7Very high95.9Very high83 Ų8362.6 Ų62.639%0.38832%0.319SS..Hα-helixtrans-54.6-50.6-174.1179.3176.4-164.800112.1L299 S300 F305 F306 I307 F312L299-E303 WeakPolarHBondContact O-CA 3.32Å; L299-E303 WeakPolarHBondContact O-CB 3.46Å; L299-E303 PolarHBondContact O-N 2.86Å; S300-E303 VanDerWaalsContact O-CB 3.31Å; S300-E303 WeakPolarHBondContact O-CB 3.33Å; S300-E303 PolarHBondContact O-N 3.41Å; E303-F305 PolarHBondContact O-N 3.23Å; E303-F306 PolarHBondContact O-N 3.29Å; E303-F306 VanDerWaalsContact O-N 3.11Å; E303-I307 HydrophobicContact CG-CD1 3.5Å; E303-I307 VanDerWaalsContact CG-CD1 3.5Å; E303-I307 HydrophobicContact CG-CG1 4.1Å; E303-I307 WeakPolarHBondContact O-CB 3.47Å; E303-I307 WeakPolarHBondContact O-CG1 3.32Å; E303-I307 PolarHBondContact O-N 3.13Å; E303-F312 HydrophobicContact CB-CE2 4.34Å; E303-F312 HydrophobicContact CG-CD2 4.29Å; E303-F312 HydrophobicContact CG-CE2 3.9Å
304T96.3Very high95.9Very high117 Ų11760.9 Ų60.972%0.71831%0.31SS*.Hα-helixtrans-57-37.9-179.557.30000112.7H302 R308H302-T304 PolarHBondContact O-N 3.48Å; T304-R308 WeakPolarHBondContact O-CB 3.39Å; T304-R308 PolarHBondContact O-N 3.22Å; T304-R308 VanDerWaalsContact O-N 3.08Å
305F96.1Very high95.8Very high39 Ų3959.4 Ų59.417%0.17130%0.302CS..Hα-helixtrans-68.7-46.8177.1171.4-98.5000111.3L277 Q279 F280 H302 E303 R308 C309L277-F305 HydrophobicContact CD2-CZ 4.24Å; Q279-F305 HydrophobicContact CB-CD1 3.98Å; Q279-F305 HydrophobicContact CB-CE1 4.06Å; Q279-F305 HydrophobicContact CG-CD1 3.89Å; Q279-F305 HydrophobicContact CG-CE1 4.14Å; Q279-F305 HydrophobicContact CG-CG 4.19Å; F280-F305 HydrophobicContact CE2-CE1 4.06Å; H302-F305 WeakPolarHBondContact O-CB 3.4Å; H302-F305 PolarHBondContact O-N 3.48Å; H302-F305 VanDerWaalsContact O-N 3.1Å; E303-F305 PolarHBondContact O-N 3.23Å; F305-R308 PolarHBondContact O-N 2.82Å; F305-C309 WeakPolarHBondContact O-CB 3.38Å; F305-C309 PolarHBondContact O-N 3.35Å; F305-C309 PolarHBondContact O-SG 2.93Å
306F96.8Very high95.7Very high0 Ų062 Ų620%031%0.314CS..Hα-helixtrans-69.8-37.6-178.5-63.5-42.1000113.1Q279 F280 V283 L299 H302 E303 C309 G310 I311 F312 L315Q279-F306 HydrophobicContact CB-CE1 4.21Å; Q279-F306 HydrophobicContact CB-CZ 4.12Å; F280-F306 HydrophobicContact CD2-CE1 4.45Å; F280-F306 HydrophobicContact CE1-CE1 4.34Å; F280-F306 HydrophobicContact CE2-CE1 4.21Å; F280-F306 HydrophobicContact CZ-CE1 4.17Å; V283-F306 HydrophobicContact CG2-CE2 4.26Å; V283-F306 HydrophobicContact CG2-CZ 4.02Å; L299-F306 HydrophobicContact CD2-CD2 4.15Å; L299-F306 HydrophobicContact CD2-CE2 4.05Å; H302-F306 HydrophobicContact CB-CD2 4.03Å; H302-F306 HydrophobicContact CB-CE2 3.56Å; H302-F306 HydrophobicContact CB-CZ 3.98Å; H302-F306 VanDerWaalsContact O-CD2 3.31Å; H302-F306 WeakPolarHBondContact O-CD2 3.48Å; H302-F306 PolarHBondContact O-N 3.36Å; H302-F306 VanDerWaalsContact O-N 3.12Å; E303-F306 PolarHBondContact O-N 3.29Å; E303-F306 VanDerWaalsContact O-N 3.11Å; F306-C309 PolarHBondContact O-N 3.23Å; F306-G310 PolarHBondContact O-N 2.81Å; F306-G310 VanDerWaalsContact O-N 3.07Å; F306-I311 HydrophobicContact CB-CG1 4.28Å; F306-I311 HydrophobicContact CD1-CD1 3.89Å; F306-I311 HydrophobicContact CD1-CG1 4.17Å; F306-I311 PolarHBondContact O-N 3.07Å; F306-F312 HydrophobicContact CB-CB 4.1Å; F306-F312 HydrophobicContact CB-CD2 4.02Å; F306-F312 PolarHBondContact O-N 2.82Å; F306-L315 HydrophobicContact CB-CD1 4.15Å; F306-L315 HydrophobicContact CD1-CD1 3.4Å; F306-L315 HydrophobicContact CD2-CD1 3.78Å; F306-L315 HydrophobicContact CE1-CD1 3.58Å; F306-L315 HydrophobicContact CE2-CD1 3.94Å; F306-L315 HydrophobicContact CG-CD1 3.51Å; F306-L315 HydrophobicContact CZ-CD1 3.85Å
307I95.8Very high95.7Very high93 Ų9362.6 Ų62.648%0.47731%0.313SS..Hα-helixtrans-64.5-48.4173.6-69.3179.5000110E303 C309 G310 F312E303-I307 HydrophobicContact CG-CD1 3.5Å; E303-I307 VanDerWaalsContact CG-CD1 3.5Å; E303-I307 HydrophobicContact CG-CG1 4.1Å; E303-I307 WeakPolarHBondContact O-CB 3.47Å; E303-I307 WeakPolarHBondContact O-CG1 3.32Å; E303-I307 PolarHBondContact O-N 3.13Å; I307-C309 PolarHBondContact O-N 2.99Å; I307-G310 WeakPolarHBondContact O-CA 3.5Å; I307-G310 PolarHBondContact O-N 3.42Å; I307-F312 HydrophobicContact CG1-CB 3.95Å; I307-F312 HydrophobicContact CG1-CD2 4.19Å; I307-F312 HydrophobicContact CG1-CG 4.03Å
308R94.4Very high95.6Very high231 Ų23157.5 Ų57.587%0.87229%0.289SS*.Hα-helixtrans-60.1-33.6177.7-178.8177.2172.6-176.3-0.3112.6T304 F305 G310T304-R308 WeakPolarHBondContact O-CB 3.39Å; T304-R308 PolarHBondContact O-N 3.22Å; T304-R308 VanDerWaalsContact O-N 3.08Å; F305-R308 PolarHBondContact O-N 2.82Å; R308-G310 VanDerWaalsContact C-N 3.3Å
309C94Very high95.6Very high20 Ų2059.9 Ų59.914%0.13530%0.3CS..Hα-helixtrans-77.7-15.2174.7-67.70000113.3I254 Y255 F305 F306 I307 I311I254-C309 HydrophobicContact CG2-CB 3.75Å; Y255-C309 WeakPolarHBondContact CE1-O 3.4Å; Y255-C309 PolarHBondContact OH-O 3.49Å; F305-C309 WeakPolarHBondContact O-CB 3.38Å; F305-C309 PolarHBondContact O-N 3.35Å; F305-C309 PolarHBondContact O-SG 2.93Å; F306-C309 PolarHBondContact O-N 3.23Å; I307-C309 PolarHBondContact O-N 2.99Å; C309-I311 HydrophobicContact CB-CD1 4.35Å; C309-I311 HydrophobicContact CB-CG1 3.99Å
310G93.9Very high95.5Very high37 Ų3762.6 Ų62.638%0.38131%0.313SS..THydrogen-bonded Turntrans72.129.4-176.900000113.7F223 F306 I307 R308F223-G310 WeakPolarHBondContact CE1-O 3.05Å; F306-G310 PolarHBondContact O-N 2.81Å; F306-G310 VanDerWaalsContact O-N 3.07Å; I307-G310 WeakPolarHBondContact O-CA 3.5Å; I307-G310 PolarHBondContact O-N 3.42Å; R308-G310 VanDerWaalsContact C-N 3.3Å
311I96.2Very high95.4Very high0 Ų058.9 Ų58.90%029%0.287CS..  trans-117.8-3.8-177.562.3169.9000113.9M222 I254 Y255 P258 F280 F306 C309 L313 I314 L315M222-I311 HydrophobicContact CE-CG2 4.5Å; I254-I311 HydrophobicContact CG2-CD1 4.07Å; I254-I311 HydrophobicContact CG2-CG2 4.31Å; Y255-I311 HydrophobicContact CD1-CG2 3.52Å; Y255-I311 HydrophobicContact CE1-CG2 3.52Å; P258-I311 HydrophobicContact CG-CB 4.43Å; P258-I311 HydrophobicContact CG-CD1 4.07Å; F280-I311 HydrophobicContact CE1-CD1 3.99Å; F280-I311 HydrophobicContact CE2-CD1 4.46Å; F280-I311 HydrophobicContact CZ-CD1 3.45Å; F280-I311 VanDerWaalsContact CZ-CD1 3.45Å; F306-I311 HydrophobicContact CB-CG1 4.28Å; F306-I311 HydrophobicContact CD1-CD1 3.89Å; F306-I311 HydrophobicContact CD1-CG1 4.17Å; F306-I311 PolarHBondContact O-N 3.07Å; C309-I311 HydrophobicContact CB-CD1 4.35Å; C309-I311 HydrophobicContact CB-CG1 3.99Å; I311-L313 VanDerWaalsContact C-N 3.34Å; I311-L313 PolarHBondContact O-N 3.44Å; I311-I314 WeakPolarHBondContact O-CA 3.4Å; I311-I314 WeakPolarHBondContact O-CB 3.49Å; I311-I314 PolarHBondContact O-N 2.77Å; I311-L315 HydrophobicContact CD1-CD1 4.02Å; I311-L315 HydrophobicContact CD1-CG 4.5Å; I311-L315 HydrophobicContact CG1-CD1 4.17Å; I311-L315 PolarHBondContact O-N 3.3Å
312F96.2Very high95.4Very high42 Ų4252.4 Ų52.418%0.18426%0.259CS..Hα-helixtrans-52.2-49.8-176.9-174.6-91.9000112.5L299 E303 F306 I307 I314 L315 E316L299-F312 HydrophobicContact CB-CE2 4.3Å; E303-F312 HydrophobicContact CB-CE2 4.34Å; E303-F312 HydrophobicContact CG-CD2 4.29Å; E303-F312 HydrophobicContact CG-CE2 3.9Å; F306-F312 HydrophobicContact CB-CB 4.1Å; F306-F312 HydrophobicContact CB-CD2 4.02Å; F306-F312 PolarHBondContact O-N 2.82Å; I307-F312 HydrophobicContact CG1-CB 3.95Å; I307-F312 HydrophobicContact CG1-CD2 4.19Å; I307-F312 HydrophobicContact CG1-CG 4.03Å; F312-I314 PolarHBondContact O-N 3.26Å; F312-L315 PolarHBondContact O-N 3.15Å; F312-L315 VanDerWaalsContact O-N 3.1Å; F312-E316 HydrophobicContact CD1-CG 4.14Å; F312-E316 HydrophobicContact CE1-CG 3.81Å; F312-E316 HydrophobicContact CZ-CG 4.36Å; F312-E316 PolarHBondContact O-N 3.28Å
313L94.3Very high95.4Very high135 Ų13552.6 Ų52.671%0.70726%0.258SS*.Hα-helixtrans-64.1-26.7178.3-61.4178.9000113.7I311I311-L313 VanDerWaalsContact C-N 3.34Å; I311-L313 PolarHBondContact O-N 3.44Å
314I95.6Very high95.5Very high9 Ų949.2 Ų49.25%0.04624%0.242CC..Hα-helixtrans-76.4-38.8175.6-53.9-59.2000110M222 F227 P258 L262 I311 F312 K317M222-I314 HydrophobicContact CE-CD1 4.48Å; M222-I314 HydrophobicContact CE-CG1 3.9Å; M222-I314 HydrophobicContact CG-CD1 4.25Å; M222-I314 HydrophobicContact CG-CG1 4.21Å; M222-I314 HydrophobicContact CG-CG2 4.2Å; M222-I314 HydrophobicContact SD-CG1 4.11Å; M222-I314 HydrophobicContact SD-CG2 4.27Å; F227-I314 HydrophobicContact CE1-CG2 4.45Å; P258-I314 HydrophobicContact CB-CG2 3.74Å; L262-I314 HydrophobicContact CD1-CG2 3.81Å; I311-I314 WeakPolarHBondContact O-CA 3.4Å; I311-I314 WeakPolarHBondContact O-CB 3.49Å; I311-I314 PolarHBondContact O-N 2.77Å; F312-I314 PolarHBondContact O-N 3.26Å; I314-K317 WeakPolarHBondContact O-CB 3.45Å; I314-K317 PolarHBondContact O-N 2.9Å
315L96.3Very high95.5Very high0 Ų044.8 Ų44.80%021%0.214CC..Hα-helixtrans-67.8-35.1175.6-68.5174.7000112.2P258 F280 V283 L299 F306 I311 F312 K317 L318P258-L315 HydrophobicContact CB-CD2 3.98Å; P258-L315 HydrophobicContact CG-CD2 3.93Å; P258-L315 HydrophobicContact CG-CG 4.46Å; F280-L315 HydrophobicContact CE1-CD1 4.49Å; F280-L315 HydrophobicContact CE1-CD2 4.11Å; V283-L315 HydrophobicContact CG1-CD2 4.39Å; L299-L315 HydrophobicContact CD2-CB 3.71Å; L299-L315 HydrophobicContact CD2-CD1 4.06Å; L299-L315 HydrophobicContact CD2-CG 4.5Å; F306-L315 HydrophobicContact CB-CD1 4.15Å; F306-L315 HydrophobicContact CD1-CD1 3.4Å; F306-L315 HydrophobicContact CD2-CD1 3.78Å; F306-L315 HydrophobicContact CE1-CD1 3.58Å; F306-L315 HydrophobicContact CE2-CD1 3.94Å; F306-L315 HydrophobicContact CG-CD1 3.51Å; F306-L315 HydrophobicContact CZ-CD1 3.85Å; I311-L315 HydrophobicContact CD1-CD1 4.02Å; I311-L315 HydrophobicContact CD1-CG 4.5Å; I311-L315 HydrophobicContact CG1-CD1 4.17Å; I311-L315 PolarHBondContact O-N 3.3Å; F312-L315 PolarHBondContact O-N 3.15Å; F312-L315 VanDerWaalsContact O-N 3.1Å; L315-K317 PolarHBondContact O-N 2.65Å; L315-L318 HydrophobicContact CB-CD1 4.37Å; L315-L318 HydrophobicContact CD2-CD1 3.57Å; L315-L318 WeakPolarHBondContact O-CB 3.48Å; L315-L318 WeakPolarHBondContact O-CG 3.49Å; L315-L318 PolarHBondContact O-N 3.34Å
316E94.8Very high95.5Very high55 Ų5543.6 Ų43.626%0.25721%0.209SC..Hα-helixtrans-56.2-35172.5-82.6-72.2131.200112.4L299 F312 L318 K319L299-E316 VanDerWaalsContact CD1-OE1 3.29Å; L299-E316 WeakPolarHBondContact CD1-OE1 3.33Å; F312-E316 HydrophobicContact CD1-CG 4.14Å; F312-E316 HydrophobicContact CE1-CG 3.81Å; F312-E316 HydrophobicContact CZ-CG 4.36Å; F312-E316 PolarHBondContact O-N 3.28Å; E316-L318 PolarHBondContact O-N 3.3Å; E316-L318 VanDerWaalsContact O-N 3.13Å; E316-K319 VanDerWaalsContact CD-NZ 3.28Å; E316-K319 VanDerWaalsContact O-CB 3.29Å; E316-K319 WeakPolarHBondContact O-CB 3.46Å; E316-K319 WeakPolarHBondContact O-CG 3.35Å; E316-K319 PolarHBondContact O-N 3.26Å; E316-K319 WeakPolarHBondContact OE1-CE 3.34Å; E316-K319 IonicContact OE1-NZ 2.69Å; E316-K319 PolarHBondContact OE1-NZ 3.31Å; E316-K319 VanDerWaalsContact OE1-NZ 3.09Å; E316-K319 WeakPolarHBondContact OE2-CD 3.26Å; E316-K319 WeakPolarHBondContact OE2-CE 3.42Å; E316-K319 IonicContact OE2-NZ 3.9Å; E316-K319 PolarHBondContact OE2-NZ 3.25Å
317K94.7Very high95.5Very high84 Ų8443.6 Ų43.637%0.36521%0.209SC..THydrogen-bonded Turntrans-62.4-19.7174.8-66.8175.9176.6-81.20113.1F227 L262 I314 L315 K319 I320F227-K317 HydrophobicContact CZ-CD 3.85Å; L262-K317 HydrophobicContact CD2-CB 3.93Å; I314-K317 WeakPolarHBondContact O-CB 3.45Å; I314-K317 PolarHBondContact O-N 2.9Å; L315-K317 PolarHBondContact O-N 2.65Å; K317-K319 PolarHBondContact O-N 2.9Å; K317-I320 PolarHBondContact O-N 3.48Å
318L95.6Very high95.5Very high0 Ų042.7 Ų42.70%020%0.202CC..Hα-helixtrans-65.8-16.9174.3-61.8167.5000112.7M261 L262 V283 V287 L315 E316 I320 I321 T322M261-L318 HydrophobicContact CB-CD1 4.5Å; M261-L318 HydrophobicContact CB-CD2 3.69Å; M261-L318 HydrophobicContact CE-CD1 3.88Å; M261-L318 HydrophobicContact SD-CD1 4.39Å; L262-L318 HydrophobicContact CD2-CD2 3.75Å; L262-L318 HydrophobicContact CD2-CG 4.3Å; L262-L318 HydrophobicContact CG-CD2 3.81Å; V283-L318 HydrophobicContact CG1-CD1 3.79Å; V287-L318 HydrophobicContact CG2-CB 3.83Å; V287-L318 HydrophobicContact CG2-CD1 4.15Å; V287-L318 HydrophobicContact CG2-CD2 4.49Å; V287-L318 HydrophobicContact CG2-CG 4.4Å; L315-L318 HydrophobicContact CB-CD1 4.37Å; L315-L318 HydrophobicContact CD2-CD1 3.57Å; L315-L318 WeakPolarHBondContact O-CB 3.48Å; L315-L318 WeakPolarHBondContact O-CG 3.49Å; L315-L318 PolarHBondContact O-N 3.34Å; E316-L318 PolarHBondContact O-N 3.3Å; E316-L318 VanDerWaalsContact O-N 3.13Å; L318-I320 PolarHBondContact O-N 2.99Å; L318-I321 HydrophobicContact CD2-CD1 4.36Å; L318-I321 PolarHBondContact O-N 3.05Å; L318-I321 VanDerWaalsContact O-N 3.15Å; L318-T322 WeakPolarHBondContact O-CB 3.21Å; L318-T322 PolarHBondContact O-N 3.39Å; L318-T322 PolarHBondContact O-OG1 3Å
319K95.6Very high95.6Very high53 Ų5336.1 Ų36.123%0.2318%0.18CC..Hα-helixtrans-55.2-41.9173.2-74177174.5173.10111.5L295 N296 E316 K317 I321 T322 Y323L295-K319 HydrophobicContact CD2-CB 4.48Å; L295-K319 HydrophobicContact CD2-CG 3.77Å; N296-K319 WeakPolarHBondContact OD1-CE 3.33Å; N296-K319 PolarHBondContact OD1-NZ 3.17Å; E316-K319 VanDerWaalsContact CD-NZ 3.28Å; E316-K319 VanDerWaalsContact O-CB 3.29Å; E316-K319 WeakPolarHBondContact O-CB 3.46Å; E316-K319 WeakPolarHBondContact O-CG 3.35Å; E316-K319 PolarHBondContact O-N 3.26Å; E316-K319 WeakPolarHBondContact OE1-CE 3.34Å; E316-K319 IonicContact OE1-NZ 2.69Å; E316-K319 PolarHBondContact OE1-NZ 3.31Å; E316-K319 VanDerWaalsContact OE1-NZ 3.09Å; E316-K319 WeakPolarHBondContact OE2-CD 3.26Å; E316-K319 WeakPolarHBondContact OE2-CE 3.42Å; E316-K319 IonicContact OE2-NZ 3.9Å; E316-K319 PolarHBondContact OE2-NZ 3.25Å; K317-K319 PolarHBondContact O-N 2.9Å; K319-I321 VanDerWaalsContact C-N 3.32Å; K319-I321 PolarHBondContact O-N 3.28Å; K319-T322 CarbonylContact O-C 3.49Å; K319-T322 WeakPolarHBondContact O-CA 3.3Å; K319-T322 WeakPolarHBondContact O-CB 3.08Å; K319-T322 PolarHBondContact O-N 2.99Å; K319-T322 VanDerWaalsContact O-N 3.08Å; K319-Y323 HydrophobicContact CB-CE2 4.34Å; K319-Y323 WeakPolarHBondContact O-CD2 3.35Å; K319-Y323 PolarHBondContact O-N 3.5Å
320I94.2Very high95.7Very high59 Ų5935.9 Ų35.930%0.30318%0.177SC..Hα-helixtrans-56.9-46.6177.5-66.9166.5000111K317 L318 T322 Y323 R324 L368 M371K317-I320 PolarHBondContact O-N 3.48Å; L318-I320 PolarHBondContact O-N 2.99Å; I320-T322 VanDerWaalsContact C-N 3.3Å; I320-T322 PolarHBondContact O-N 3.1Å; I320-Y323 PolarHBondContact O-N 3.25Å; I320-R324 WeakPolarHBondContact O-CB 3.41Å; I320-R324 PolarHBondContact O-N 2.93Å; I320-L368 HydrophobicContact CG2-CD2 3.86Å; I320-M371 HydrophobicContact CD1-CE 4.23Å; I320-M371 HydrophobicContact CD1-SD 4.12Å; I320-M371 HydrophobicContact CG1-CE 4.32Å; I320-M371 HydrophobicContact CG2-CE 3.47Å; I320-M371 VanDerWaalsContact CG2-CE 3.47Å; I320-M371 HydrophobicContact CG2-SD 3.99Å
321I95Very high95.8Very high5 Ų536.1 Ų36.13%0.02617%0.167CC..Hα-helixtrans-69.2-34.4179.4-61.3177.3000111L262 V287 L318 K319 R324 N325 L396L262-I321 VanDerWaalsContact CA-CD1 3.44Å; L262-I321 HydrophobicContact CB-CD1 4.35Å; L262-I321 HydrophobicContact CD2-CD1 3.92Å; L262-I321 WeakPolarHBondContact O-CD1 3.37Å; V287-I321 HydrophobicContact CG1-CB 4.23Å; V287-I321 HydrophobicContact CG1-CG2 3.73Å; L318-I321 HydrophobicContact CD2-CD1 4.36Å; L318-I321 PolarHBondContact O-N 3.05Å; L318-I321 VanDerWaalsContact O-N 3.15Å; K319-I321 VanDerWaalsContact C-N 3.32Å; K319-I321 PolarHBondContact O-N 3.28Å; I321-R324 WeakPolarHBondContact O-CB 3.17Å; I321-R324 PolarHBondContact O-N 3.36Å; I321-N325 WeakPolarHBondContact O-CB 3.24Å; I321-N325 VanDerWaalsContact O-CG 3.27Å; I321-N325 PolarHBondContact O-N 3.41Å; I321-L396 HydrophobicContact CD1-CD1 4.42Å; I321-L396 HydrophobicContact CG1-CD2 4.25Å; I321-L396 HydrophobicContact CG2-CD1 3.57Å; I321-L396 HydrophobicContact CG2-CD2 4.17Å
322T96.6Very high95.7Very high0 Ų040.9 Ų40.90%019%0.192CC..Hα-helixtrans-67.7-44.5178.2-520000110.8G290 L292 L295 L318 K319 I320 R324 N325 L326G290-T322 VanDerWaalsContact C-CG2 3.5Å; G290-T322 WeakPolarHBondContact CA-O 3.5Å; L292-T322 HydrophobicContact CD2-CG2 3.66Å; L292-T322 HydrophobicContact CG-CG2 3.9Å; L295-T322 HydrophobicContact CD2-CG2 4.29Å; L295-T322 WeakPolarHBondContact CD2-OG1 3.28Å; L318-T322 WeakPolarHBondContact O-CB 3.21Å; L318-T322 PolarHBondContact O-N 3.39Å; L318-T322 PolarHBondContact O-OG1 3Å; K319-T322 CarbonylContact O-C 3.49Å; K319-T322 WeakPolarHBondContact O-CA 3.3Å; K319-T322 WeakPolarHBondContact O-CB 3.08Å; K319-T322 PolarHBondContact O-N 2.99Å; K319-T322 VanDerWaalsContact O-N 3.08Å; I320-T322 VanDerWaalsContact C-N 3.3Å; I320-T322 PolarHBondContact O-N 3.1Å; T322-R324 PolarHBondContact O-N 2.98Å; T322-N325 PolarHBondContact O-N 2.89Å; T322-L326 WeakPolarHBondContact O-CB 3.37Å; T322-L326 PolarHBondContact O-N 2.91Å
323Y96.4Very high95.7Very high42 Ų4245.5 Ų45.517%0.16522%0.218CC..Hα-helixtrans-55.9-49.9169.6-78.4-65.2000111.5L292 K319 I320 N325 L326 F327 L348 L364L292-Y323 HydrophobicContact CD1-CD1 3.43Å; L292-Y323 VanDerWaalsContact CD1-CD1 3.43Å; L292-Y323 HydrophobicContact CD1-CE1 3.18Å; L292-Y323 HydrophobicContact CD1-CG 4.23Å; L292-Y323 HydrophobicContact CD2-CD1 4.18Å; L292-Y323 HydrophobicContact CD2-CD2 4.14Å; L292-Y323 HydrophobicContact CD2-CE1 4.09Å; L292-Y323 HydrophobicContact CD2-CE2 4.06Å; L292-Y323 HydrophobicContact CD2-CG 4.17Å; L292-Y323 HydrophobicContact CG-CD1 4.38Å; L292-Y323 HydrophobicContact CG-CE1 4.26Å; K319-Y323 HydrophobicContact CB-CE2 4.34Å; K319-Y323 WeakPolarHBondContact O-CD2 3.35Å; K319-Y323 PolarHBondContact O-N 3.5Å; I320-Y323 PolarHBondContact O-N 3.25Å; Y323-N325 VanDerWaalsContact C-N 3.29Å; Y323-N325 PolarHBondContact O-N 3.32Å; Y323-L326 WeakPolarHBondContact O-CB 3.49Å; Y323-L326 PolarHBondContact O-N 3.41Å; Y323-F327 HydrophobicContact CD1-CZ 4.34Å; Y323-F327 WeakPolarHBondContact O-CG 3.45Å; Y323-F327 PolarHBondContact O-N 3.43Å; Y323-L348 HydrophobicContact CD1-CD2 3.85Å; Y323-L348 HydrophobicContact CE1-CD2 3.58Å; Y323-L364 HydrophobicContact CD1-CD1 4.15Å; Y323-L364 HydrophobicContact CD2-CD2 4.34Å; Y323-L364 HydrophobicContact CE1-CD1 3.77Å; Y323-L364 HydrophobicContact CE1-CD2 4.32Å; Y323-L364 HydrophobicContact CE2-CD2 4.1Å
324R96.2Very high95.7Very high13 Ų1342.8 Ų42.85%0.04920%0.204CC..Hα-helixtrans-54.3-46.1176.2-179.7-81.1-173175.93.4111.4I320 I321 T322 F327 K328 L368 H373 F393 P394I320-R324 WeakPolarHBondContact O-CB 3.41Å; I320-R324 PolarHBondContact O-N 2.93Å; I321-R324 WeakPolarHBondContact O-CB 3.17Å; I321-R324 PolarHBondContact O-N 3.36Å; T322-R324 PolarHBondContact O-N 2.98Å; R324-F327 PolarHBondContact O-N 3.24Å; R324-K328 WeakPolarHBondContact O-CB 3.35Å; R324-K328 PolarHBondContact O-N 3.05Å; R324-L368 HydrophobicContact CB-CD1 4.49Å; R324-L368 HydrophobicContact CB-CD2 4Å; R324-H373 HydrophobicContact CG-CB 3.96Å; R324-F393 HydrophobicContact CG-CD1 4.25Å; R324-F393 PolarHBondContact NH2-O 2.99Å; R324-F393 VanDerWaalsContact NH2-O 3.09Å; R324-P394 PolarHBondContact NH2-O 3.5Å
325N96.4Very high95.5Very high23 Ų2351.1 Ų51.112%0.12324%0.24CC..Hα-helixtrans-70.4-36.7-177.9-73.1-15.4000112.3V287 I321 T322 Y323 K328 K329V287-N325 PolarHBondContact O-ND2 3.34Å; I321-N325 WeakPolarHBondContact O-CB 3.24Å; I321-N325 VanDerWaalsContact O-CG 3.27Å; I321-N325 PolarHBondContact O-N 3.41Å; T322-N325 PolarHBondContact O-N 2.89Å; Y323-N325 VanDerWaalsContact C-N 3.29Å; Y323-N325 PolarHBondContact O-N 3.32Å; N325-K328 PolarHBondContact O-N 2.88Å; N325-K329 PolarHBondContact O-N 3.29Å
326L97.2Very high95.3Very high15 Ų1553.8 Ų53.88%0.07926%0.256CS..Hα-helixtrans-59.8-51.2171.6-178.560.9000110.9G290 L292 T322 Y323 K328 K329 V330 A347 L348 M351G290-L326 WeakPolarHBondContact O-CB 3.2Å; L292-L326 HydrophobicContact CD1-CD2 3.94Å; T322-L326 WeakPolarHBondContact O-CB 3.37Å; T322-L326 PolarHBondContact O-N 2.91Å; Y323-L326 WeakPolarHBondContact O-CB 3.49Å; Y323-L326 PolarHBondContact O-N 3.41Å; L326-K328 VanDerWaalsContact C-N 3.3Å; L326-K328 PolarHBondContact O-N 3.36Å; L326-K329 WeakPolarHBondContact O-CA 3.47Å; L326-K329 VanDerWaalsContact O-CB 3.31Å; L326-K329 WeakPolarHBondContact O-CB 3.24Å; L326-K329 PolarHBondContact O-N 2.99Å; L326-V330 PolarHBondContact O-N 3.13Å; L326-V330 VanDerWaalsContact O-N 3.11Å; L326-A347 HydrophobicContact CD1-CB 4.33Å; L326-A347 HydrophobicContact CD2-CB 4.47Å; L326-A347 HydrophobicContact CG-CB 4.35Å; L326-L348 HydrophobicContact CD2-CD2 3.94Å; L326-M351 HydrophobicContact CD1-CG 4.3Å; L326-M351 HydrophobicContact CD2-CG 3.86Å
327F96.7Very high95.2Very high0 Ų054.3 Ų54.30%026%0.258CS..Hα-helixtrans-67.4-32.5-179.4-64.6-12.1000112.3Y323 R324 K329 V330 Y331 F344 L348 L364 L365 L368 I374 F393Y323-F327 HydrophobicContact CD1-CZ 4.34Å; Y323-F327 WeakPolarHBondContact O-CG 3.45Å; Y323-F327 PolarHBondContact O-N 3.43Å; R324-F327 PolarHBondContact O-N 3.24Å; F327-K329 VanDerWaalsContact C-N 3.3Å; F327-K329 PolarHBondContact O-N 3.24Å; F327-V330 PolarHBondContact O-N 3.29Å; F327-Y331 PolarHBondContact O-N 2.67Å; F327-F344 HydrophobicContact CB-CD1 3.96Å; F327-F344 HydrophobicContact CB-CE1 3.74Å; F327-F344 HydrophobicContact CD1-CB 4.41Å; F327-F344 AromaticContact CD1-CD1 3.46Å; F327-F344 HydrophobicContact CD1-CD1 3.46Å; F327-F344 VanDerWaalsContact CD1-CD1 3.46Å; F327-F344 HydrophobicContact CD1-CE1 4.17Å; F327-F344 HydrophobicContact CD1-CG 4.34Å; F327-F344 HydrophobicContact CD2-CD1 4.41Å; F327-F344 HydrophobicContact CE1-CB 4.11Å; F327-F344 HydrophobicContact CE1-CD1 4.01Å; F327-F344 HydrophobicContact CE1-CG 4.47Å; F327-F344 AromaticContact CG-CD1 3.7Å; F327-F344 HydrophobicContact CG-CD1 3.7Å; F327-F344 AromaticContact CG-CE1 3.98Å; F327-F344 HydrophobicContact CG-CE1 3.98Å; F327-L348 HydrophobicContact CE1-CD1 4.28Å; F327-L348 HydrophobicContact CE1-CD2 3.9Å; F327-L348 HydrophobicContact CE1-CG 3.99Å; F327-L348 HydrophobicContact CZ-CD1 4.11Å; F327-L348 HydrophobicContact CZ-CD2 4.12Å; F327-L348 HydrophobicContact CZ-CG 4.28Å; F327-L364 HydrophobicContact CE2-CB 4.26Å; F327-L364 HydrophobicContact CZ-CB 4.45Å; F327-L364 HydrophobicContact CZ-CD1 4.49Å; F327-L365 HydrophobicContact CD2-CD2 3.49Å; F327-L365 VanDerWaalsContact CD2-CD2 3.49Å; F327-L365 HydrophobicContact CD2-CG 4.4Å; F327-L365 HydrophobicContact CE2-CD2 3.68Å; F327-L365 HydrophobicContact CE2-CG 4.1Å; F327-L365 HydrophobicContact CG-CD2 4.35Å; F327-L368 HydrophobicContact CD2-CD1 3.55Å; F327-L368 HydrophobicContact CE2-CD1 3.79Å; F327-I374 HydrophobicContact CD2-CD1 4.41Å; F327-F393 HydrophobicContact CB-CE1 4.24Å; F327-F393 HydrophobicContact CB-CZ 4.42Å
328K95.9Very high95.2Very high74 Ų7455.5 Ų55.532%0.32227%0.265SS..Hα-helixtrans-60.5-39.6169.6-174.4178.8176.2-176.50111.4R324 N325 L326 Y331 L332 F393R324-K328 WeakPolarHBondContact O-CB 3.35Å; R324-K328 PolarHBondContact O-N 3.05Å; N325-K328 PolarHBondContact O-N 2.88Å; L326-K328 VanDerWaalsContact C-N 3.3Å; L326-K328 PolarHBondContact O-N 3.36Å; K328-Y331 PolarHBondContact O-N 3.29Å; K328-L332 HydrophobicContact CG-CD1 4.25Å; K328-L332 VanDerWaalsContact O-CG 3.28Å; K328-L332 WeakPolarHBondContact O-CG 3.44Å; K328-L332 PolarHBondContact O-N 3.21Å; K328-F393 HydrophobicContact CB-CD1 3.71Å; K328-F393 HydrophobicContact CB-CD2 4.29Å; K328-F393 HydrophobicContact CB-CE1 3.87Å; K328-F393 HydrophobicContact CB-CE2 4.47Å; K328-F393 HydrophobicContact CB-CG 3.93Å; K328-F393 HydrophobicContact CB-CZ 4.27Å; K328-F393 HydrophobicContact CD-CB 3.98Å; K328-F393 HydrophobicContact CD-CG 4.26Å; K328-F393 HydrophobicContact CG-CB 4.13Å; K328-F393 HydrophobicContact CG-CD1 4.19Å; K328-F393 HydrophobicContact CG-CD2 4.09Å; K328-F393 HydrophobicContact CG-CG 3.87Å
329K95.9Very high95.3Very high93 Ų9355.5 Ų55.540%0.40427%0.265SS..Hα-helixtrans-63.5-44.1174.7-74179.5168.4-173.70111.6E289 N325 L326 F327 Y331 L332 L333E289-K329 WeakPolarHBondContact O-CD 3.41Å; E289-K329 WeakPolarHBondContact O-CE 3.34Å; E289-K329 PolarHBondContact O-NZ 3.46Å; N325-K329 PolarHBondContact O-N 3.29Å; L326-K329 WeakPolarHBondContact O-CA 3.47Å; L326-K329 VanDerWaalsContact O-CB 3.31Å; L326-K329 WeakPolarHBondContact O-CB 3.24Å; L326-K329 PolarHBondContact O-N 2.99Å; F327-K329 VanDerWaalsContact C-N 3.3Å; F327-K329 PolarHBondContact O-N 3.24Å; K329-Y331 VanDerWaalsContact C-N 3.3Å; K329-Y331 PolarHBondContact O-N 2.9Å; K329-L332 PolarHBondContact O-N 2.91Å; K329-L332 VanDerWaalsContact O-N 3.16Å; K329-L333 WeakPolarHBondContact O-CG 3.46Å; K329-L333 PolarHBondContact O-N 3.39Å
330V96Very high95.3Very high14 Ų1455.3 Ų55.39%0.08527%0.269CS..Hα-helixtrans-56.1-46.5175.1177.60000110.8L326 F327 L332 L333 L334 A343 F344 A347L326-V330 PolarHBondContact O-N 3.13Å; L326-V330 VanDerWaalsContact O-N 3.11Å; F327-V330 PolarHBondContact O-N 3.29Å; V330-L332 PolarHBondContact O-N 3.47Å; V330-L333 PolarHBondContact O-N 3.03Å; V330-L334 HydrophobicContact CG1-CD1 3.93Å; V330-L334 PolarHBondContact O-N 3.34Å; V330-A343 HydrophobicContact CG1-CB 3.92Å; V330-F344 HydrophobicContact CB-CD1 4.07Å; V330-F344 HydrophobicContact CB-CE1 3.9Å; V330-F344 HydrophobicContact CG1-CD1 3.98Å; V330-F344 HydrophobicContact CG1-CE1 3.85Å; V330-F344 HydrophobicContact CG1-CZ 4.39Å; V330-F344 HydrophobicContact CG2-CD1 4.2Å; V330-A347 HydrophobicContact CG2-CB 3.65Å
331Y95.8Very high95.4Very high42 Ų4252.5 Ų52.517%0.16526%0.255CS..Hα-helixtrans-58.7-47.2175167.1-110.7000113F327 K328 K329 L333 L334 K335 T336 L339 V387 P392 F393F327-Y331 PolarHBondContact O-N 2.67Å; K328-Y331 PolarHBondContact O-N 3.29Å; K329-Y331 VanDerWaalsContact C-N 3.3Å; K329-Y331 PolarHBondContact O-N 2.9Å; Y331-L333 VanDerWaalsContact C-N 3.27Å; Y331-L333 PolarHBondContact O-N 3.18Å; Y331-L334 PolarHBondContact O-N 2.9Å; Y331-K335 PolarHBondContact O-N 3.33Å; Y331-T336 WeakPolarHBondContact CD2-O 3.43Å; Y331-T336 WeakPolarHBondContact CE2-O 3.29Å; Y331-L339 HydrophobicContact CD2-CD1 3.84Å; Y331-L339 HydrophobicContact CD2-CD2 4.19Å; Y331-L339 HydrophobicContact CD2-CG 4.45Å; Y331-L339 HydrophobicContact CG-CD1 4.33Å; Y331-V387 HydrophobicContact CD2-CG2 4Å; Y331-V387 HydrophobicContact CE2-CG2 3.82Å; Y331-P392 HydrophobicContact CD1-CG 4.26Å; Y331-P392 HydrophobicContact CE1-CG 3.54Å; Y331-P392 HydrophobicContact CE2-CG 4.32Å; Y331-F393 AromaticContact CD1-CD2 3.94Å; Y331-F393 HydrophobicContact CD1-CD2 3.94Å; Y331-F393 AromaticContact CD1-CE2 3.8Å; Y331-F393 HydrophobicContact CD1-CE2 3.8Å; Y331-F393 HydrophobicContact CG-CD2 4.35Å; Y331-F393 AromaticContact CG-CE2 3.74Å; Y331-F393 HydrophobicContact CG-CE2 3.74Å
332L95.3Very high95.4Very high100 Ų10056.8 Ų56.852%0.52428%0.278SS..Hα-helixtrans-64.2-31-179.9-70.8172.5000112.9K328 K329 V330 K335K328-L332 HydrophobicContact CG-CD1 4.25Å; K328-L332 VanDerWaalsContact O-CG 3.28Å; K328-L332 WeakPolarHBondContact O-CG 3.44Å; K328-L332 PolarHBondContact O-N 3.21Å; K329-L332 PolarHBondContact O-N 2.91Å; K329-L332 VanDerWaalsContact O-N 3.16Å; V330-L332 PolarHBondContact O-N 3.47Å; L332-K335 WeakPolarHBondContact O-CG 3.44Å
333L95.2Very high95.4Very high140 Ų14058 Ų5873%0.73329%0.288SS*.Hα-helixtrans-75-45.8176.7-70.7171.2000112K329 V330 Y331K329-L333 WeakPolarHBondContact O-CG 3.46Å; K329-L333 PolarHBondContact O-N 3.39Å; V330-L333 PolarHBondContact O-N 3.03Å; Y331-L333 VanDerWaalsContact C-N 3.27Å; Y331-L333 PolarHBondContact O-N 3.18Å
334L93.9Very high95.4Very high77 Ų7756 Ų5640%0.40328%0.28SS..Hα-helixtrans-76.9-23-176.6-68.8177.9000113.7V330 Y331 T336 L339 A343V330-L334 HydrophobicContact CG1-CD1 3.93Å; V330-L334 PolarHBondContact O-N 3.34Å; Y331-L334 PolarHBondContact O-N 2.9Å; L334-T336 HydrophobicContact CB-CG2 4.01Å; L334-T336 PolarHBondContact O-N 2.91Å; L334-T336 VanDerWaalsContact O-N 3.07Å; L334-L339 HydrophobicContact CB-CD2 3.83Å; L334-L339 HydrophobicContact CD1-CD2 3.65Å; L334-L339 HydrophobicContact CG-CD2 4.35Å; L334-A343 HydrophobicContact CD1-CB 3.79Å
335K91.1Very high95.4Very high184 Ų18455.9 Ų55.980%0.828%0.28SS*.  trans52.431.8176.3-58.5-177.9-178.51780114.4Y331 L332Y331-K335 PolarHBondContact O-N 3.33Å; L332-K335 WeakPolarHBondContact O-CG 3.44Å
336T93.6Very high95.3Very high56 Ų5658.7 Ų58.734%0.34430%0.298SS..  trans-128.9153.7176.9176.50000110.5Y331 L334 Q338 L339Y331-T336 WeakPolarHBondContact CD2-O 3.43Å; Y331-T336 WeakPolarHBondContact CE2-O 3.29Å; L334-T336 HydrophobicContact CB-CG2 4.01Å; L334-T336 PolarHBondContact O-N 2.91Å; L334-T336 VanDerWaalsContact O-N 3.07Å; T336-Q338 VanDerWaalsContact C-N 3.33Å; T336-Q338 VanDerWaalsContact CG2-O 3.3Å; T336-Q338 WeakPolarHBondContact CG2-O 3.31Å; T336-Q338 PolarHBondContact OG1-N 3.47Å; T336-L339 HydrophobicContact CG2-CD2 4.09Å
337H92.8Very high95.3Very high66 Ų6658.5 Ų58.531%0.30630%0.299SS..SBendtrans-84.5-8.7175.4-64.1-74.2000113.3V386 V387 S388H337-V386 CarbonylContact O-C 3.6Å; H337-V386 WeakPolarHBondContact O-CA 3.26Å; H337-V387 HydrophobicContact CB-CG2 4.38Å; H337-V387 PolarHBondContact O-N 2.93Å; H337-S388 PolarHBondContact ND1-O 3.13Å
338Q94.8Very high95.2Very high110 Ų11058.5 Ų58.551%0.51430%0.299SS..EExtended strand (participates in β ladder)trans-115.499.5176.7-60.5-178.414.500108.7T336 K384 V386T336-Q338 VanDerWaalsContact C-N 3.33Å; T336-Q338 VanDerWaalsContact CG2-O 3.3Å; T336-Q338 WeakPolarHBondContact CG2-O 3.31Å; T336-Q338 PolarHBondContact OG1-N 3.47Å; Q338-K384 HydrophobicContact CB-CD 4.34Å; Q338-V386 HydrophobicContact CG-CG2 4.44Å
339L95.9Very high95.1Very high0 Ų062.3 Ų62.30%031%0.311CS..EExtended strand (participates in β ladder)trans-101.2119.3-171.3-60.9158.2000109Y331 L334 T336 F344 K384 L385 V387Y331-L339 HydrophobicContact CD2-CD1 3.84Å; Y331-L339 HydrophobicContact CD2-CD2 4.19Å; Y331-L339 HydrophobicContact CD2-CG 4.45Å; Y331-L339 HydrophobicContact CG-CD1 4.33Å; L334-L339 HydrophobicContact CB-CD2 3.83Å; L334-L339 HydrophobicContact CD1-CD2 3.65Å; L334-L339 HydrophobicContact CG-CD2 4.35Å; T336-L339 HydrophobicContact CG2-CD2 4.09Å; L339-F344 HydrophobicContact CB-CE2 3.65Å; L339-F344 HydrophobicContact CB-CZ 3.72Å; L339-F344 HydrophobicContact CD1-CZ 3.78Å; L339-F344 HydrophobicContact CG-CZ 4.29Å; L339-K384 CarbonylContact O-C 3.5Å; L339-K384 VanDerWaalsContact O-CA 3.25Å; L339-K384 WeakPolarHBondContact O-CA 3.39Å; L339-L385 HydrophobicContact CB-CB 4.37Å; L339-L385 HydrophobicContact CD1-CD2 4.22Å; L339-L385 PolarHBondContact N-O 3.35Å; L339-L385 PolarHBondContact O-N 2.87Å; L339-V387 HydrophobicContact CD1-CG1 3.86Å; L339-V387 HydrophobicContact CD1-CG2 4.16Å
340P96.5Very high95Very high48 Ų4864.4 Ų64.431%0.31232%0.324SS..EExtended strand (participates in β ladder)trans-64.6140.1177.727.2-32.7000110.8D342 A343P340-D342 PolarHBondContact O-N 2.94Å; P340-A343 HydrophobicContact CG-CB 4.06Å; P340-A343 WeakPolarHBondContact O-CB 3.36Å; P340-A343 PolarHBondContact O-N 3.24Å; P340-A343 VanDerWaalsContact O-N 3.14Å
341L95.4Very high95Very high0 Ų065.3 Ų65.30%033%0.328CS..Hα-helixtrans-61.9-32.8-179.9-67.1178.8000112.3A343 F344 L345 I358 V361 Q362 L365 I378 Q383L341-A343 PolarHBondContact O-N 3Å; L341-F344 HydrophobicContact CD2-CD2 4.44Å; L341-F344 PolarHBondContact O-N 3.45Å; L341-L345 PolarHBondContact O-N 3.15Å; L341-I358 HydrophobicContact CB-CD1 4.08Å; L341-I358 HydrophobicContact CB-CG2 4.45Å; L341-I358 HydrophobicContact CD1-CG2 4.1Å; L341-V361 HydrophobicContact CB-CG1 4.5Å; L341-V361 HydrophobicContact CD2-CG1 4.17Å; L341-Q362 HydrophobicContact CD1-CG 3.6Å; L341-L365 HydrophobicContact CD2-CD1 3.46Å; L341-L365 VanDerWaalsContact CD2-CD1 3.46Å; L341-I378 HydrophobicContact CD1-CG2 4.49Å; L341-Q383 HydrophobicContact CD1-CB 4.36Å; L341-Q383 WeakPolarHBondContact CG-O 3.44Å; L341-Q383 PolarHBondContact N-O 3.47Å
342D95.6Very high94.8Very high95 Ų9569.9 Ų69.951%0.50835%0.351SS..Hα-helixtrans-56.8-33.7175.1-63.9-61.3000113.4P340 F344 L345 V346P340-D342 PolarHBondContact O-N 2.94Å; D342-F344 VanDerWaalsContact C-N 3.31Å; D342-F344 PolarHBondContact O-N 2.99Å; D342-L345 WeakPolarHBondContact O-CB 3.48Å; D342-L345 PolarHBondContact O-N 3.42Å; D342-V346 VanDerWaalsContact O-CG2 3.32Å; D342-V346 WeakPolarHBondContact O-CG2 3.39Å; D342-V346 PolarHBondContact O-N 2.85Å
343A96.2Very high94.5Very high25 Ų2566.9 Ų66.921%0.20734%0.336CS..Hα-helixtrans-66.5-35.8178.600000111.9V330 L334 P340 L341 A347V330-A343 HydrophobicContact CG1-CB 3.92Å; L334-A343 HydrophobicContact CD1-CB 3.79Å; P340-A343 HydrophobicContact CG-CB 4.06Å; P340-A343 WeakPolarHBondContact O-CB 3.36Å; P340-A343 PolarHBondContact O-N 3.24Å; P340-A343 VanDerWaalsContact O-N 3.14Å; L341-A343 PolarHBondContact O-N 3Å; A343-A347 PolarHBondContact O-N 2.87Å; A343-A347 VanDerWaalsContact O-N 3.15Å
344F96.4Very high94Very high0 Ų068.3 Ų68.30%034%0.339CS..Hα-helixtrans-72.9-39.3174.1-59.2-71.9000111.3F327 V330 L339 L341 D342 V346 A347 L348 V361 L365 L385F327-F344 HydrophobicContact CB-CD1 3.96Å; F327-F344 HydrophobicContact CB-CE1 3.74Å; F327-F344 HydrophobicContact CD1-CB 4.41Å; F327-F344 AromaticContact CD1-CD1 3.46Å; F327-F344 HydrophobicContact CD1-CD1 3.46Å; F327-F344 VanDerWaalsContact CD1-CD1 3.46Å; F327-F344 HydrophobicContact CD1-CE1 4.17Å; F327-F344 HydrophobicContact CD1-CG 4.34Å; F327-F344 HydrophobicContact CD2-CD1 4.41Å; F327-F344 HydrophobicContact CE1-CB 4.11Å; F327-F344 HydrophobicContact CE1-CD1 4.01Å; F327-F344 HydrophobicContact CE1-CG 4.47Å; F327-F344 AromaticContact CG-CD1 3.7Å; F327-F344 HydrophobicContact CG-CD1 3.7Å; F327-F344 AromaticContact CG-CE1 3.98Å; F327-F344 HydrophobicContact CG-CE1 3.98Å; V330-F344 HydrophobicContact CB-CD1 4.07Å; V330-F344 HydrophobicContact CB-CE1 3.9Å; V330-F344 HydrophobicContact CG1-CD1 3.98Å; V330-F344 HydrophobicContact CG1-CE1 3.85Å; V330-F344 HydrophobicContact CG1-CZ 4.39Å; V330-F344 HydrophobicContact CG2-CD1 4.2Å; L339-F344 HydrophobicContact CB-CE2 3.65Å; L339-F344 HydrophobicContact CB-CZ 3.72Å; L339-F344 HydrophobicContact CD1-CZ 3.78Å; L339-F344 HydrophobicContact CG-CZ 4.29Å; L341-F344 HydrophobicContact CD2-CD2 4.44Å; L341-F344 PolarHBondContact O-N 3.45Å; D342-F344 VanDerWaalsContact C-N 3.31Å; D342-F344 PolarHBondContact O-N 2.99Å; F344-V346 VanDerWaalsContact C-N 3.35Å; F344-V346 PolarHBondContact O-N 3.25Å; F344-A347 WeakPolarHBondContact O-CB 3.34Å; F344-A347 PolarHBondContact O-N 2.74Å; F344-L348 WeakPolarHBondContact O-CG 3.45Å; F344-L348 PolarHBondContact O-N 3.45Å; F344-V361 HydrophobicContact CB-CG1 3.75Å; F344-L365 HydrophobicContact CD2-CD1 4.01Å; F344-L365 HydrophobicContact CE2-CD1 4.22Å; F344-L365 HydrophobicContact CG-CD1 4.49Å; F344-L385 HydrophobicContact CE2-CB 3.95Å; F344-L385 HydrophobicContact CE2-CD2 3.98Å; F344-L385 HydrophobicContact CZ-CB 4.44Å; F344-L385 HydrophobicContact CZ-CD2 3.67Å
345L96.1Very high93.6Very high11 Ų1172.4 Ų72.46%0.05836%0.361CS..Hα-helixtrans-56.9-47.6174179.460.1000111.6L341 D342 A347 L348 R349 V356 I358 V361L341-L345 PolarHBondContact O-N 3.15Å; D342-L345 WeakPolarHBondContact O-CB 3.48Å; D342-L345 PolarHBondContact O-N 3.42Å; L345-A347 VanDerWaalsContact C-N 3.34Å; L345-A347 PolarHBondContact O-N 3.35Å; L345-L348 PolarHBondContact O-N 3.09Å; L345-R349 HydrophobicContact CD1-CG 4.47Å; L345-R349 WeakPolarHBondContact O-CG 3.39Å; L345-R349 PolarHBondContact O-N 3.1Å; L345-V356 HydrophobicContact CD1-CB 4.33Å; L345-V356 HydrophobicContact CD1-CG1 3.6Å; L345-V356 VanDerWaalsContact CD1-O 3.31Å; L345-V356 WeakPolarHBondContact CD1-O 3.44Å; L345-I358 HydrophobicContact CB-CD1 4.13Å; L345-I358 HydrophobicContact CD2-CD1 3.69Å; L345-I358 HydrophobicContact CD2-CG1 4.04Å; L345-I358 HydrophobicContact CG-CD1 4.48Å; L345-V361 HydrophobicContact CB-CG2 4.04Å; L345-V361 HydrophobicContact CD1-CG2 4.18Å
346V95.9Very high93.5Very high82 Ų8264.2 Ų64.250%0.49733%0.327SS..Hα-helixtrans-59.3-45.9175.3171.30000110.7D342 F344 L348 R349 M350D342-V346 VanDerWaalsContact O-CG2 3.32Å; D342-V346 WeakPolarHBondContact O-CG2 3.39Å; D342-V346 PolarHBondContact O-N 2.85Å; F344-V346 VanDerWaalsContact C-N 3.35Å; F344-V346 PolarHBondContact O-N 3.25Å; V346-L348 VanDerWaalsContact C-N 3.32Å; V346-L348 PolarHBondContact O-N 3.46Å; V346-R349 PolarHBondContact O-N 3.42Å; V346-M350 HydrophobicContact CG1-SD 4.31Å; V346-M350 VanDerWaalsContact O-CG 3.31Å; V346-M350 WeakPolarHBondContact O-CG 3.4Å; V346-M350 PolarHBondContact O-N 2.98Å
347A95.8Very high93.5Very high11 Ų1165.3 Ų65.39%0.09133%0.33CS..Hα-helixtrans-61.2-38.5178.500000112.7L326 V330 A343 F344 L345 M351L326-A347 HydrophobicContact CD1-CB 4.33Å; L326-A347 HydrophobicContact CD2-CB 4.47Å; L326-A347 HydrophobicContact CG-CB 4.35Å; V330-A347 HydrophobicContact CG2-CB 3.65Å; A343-A347 PolarHBondContact O-N 2.87Å; A343-A347 VanDerWaalsContact O-N 3.15Å; F344-A347 WeakPolarHBondContact O-CB 3.34Å; F344-A347 PolarHBondContact O-N 2.74Å; L345-A347 VanDerWaalsContact C-N 3.34Å; L345-A347 PolarHBondContact O-N 3.35Å; A347-M351 WeakPolarHBondContact O-CG 3.43Å; A347-M351 PolarHBondContact O-N 3.45Å
348L95.4Very high93.6Very high0 Ų063.9 Ų63.90%033%0.325CS..Hα-helixtrans-69.9-42.1176.6-69.7175.7000112.3L292 Y323 L326 F327 F344 L345 V346 M350 M351 Q352 V353 V356 V361 L364L292-L348 HydrophobicContact CD1-CD2 4.02Å; Y323-L348 HydrophobicContact CD1-CD2 3.85Å; Y323-L348 HydrophobicContact CE1-CD2 3.58Å; L326-L348 HydrophobicContact CD2-CD2 3.94Å; F327-L348 HydrophobicContact CE1-CD1 4.28Å; F327-L348 HydrophobicContact CE1-CD2 3.9Å; F327-L348 HydrophobicContact CE1-CG 3.99Å; F327-L348 HydrophobicContact CZ-CD1 4.11Å; F327-L348 HydrophobicContact CZ-CD2 4.12Å; F327-L348 HydrophobicContact CZ-CG 4.28Å; F344-L348 WeakPolarHBondContact O-CG 3.45Å; F344-L348 PolarHBondContact O-N 3.45Å; L345-L348 PolarHBondContact O-N 3.09Å; V346-L348 VanDerWaalsContact C-N 3.32Å; V346-L348 PolarHBondContact O-N 3.46Å; L348-M350 VanDerWaalsContact C-N 3.29Å; L348-M350 PolarHBondContact O-N 3.35Å; L348-M351 CarbonylContact O-C 3.55Å; L348-M351 WeakPolarHBondContact O-CA 3.48Å; L348-M351 WeakPolarHBondContact O-CB 3.34Å; L348-M351 PolarHBondContact O-N 3.35Å; L348-Q352 PolarHBondContact O-N 3.32Å; L348-V353 HydrophobicContact CB-CG2 4.45Å; L348-V353 HydrophobicContact CD2-CG2 4.21Å; L348-V353 PolarHBondContact O-N 3.22Å; L348-V356 HydrophobicContact CB-CG1 4.08Å; L348-V356 HydrophobicContact CD1-CG1 3.62Å; L348-V361 HydrophobicContact CD1-CG2 3.7Å; L348-L364 HydrophobicContact CD1-CD1 3.83Å; L348-L364 HydrophobicContact CD2-CD1 4.49Å
349R94.4Very high93.5Very high154 Ų15463.8 Ų63.858%0.58133%0.328SS*.Hα-helixtrans-61.3-38.2174.4-72.9176.7178.1173.6-0.8112.1L345 V346 M351 Q352L345-R349 HydrophobicContact CD1-CG 4.47Å; L345-R349 WeakPolarHBondContact O-CG 3.39Å; L345-R349 PolarHBondContact O-N 3.1Å; V346-R349 PolarHBondContact O-N 3.42Å; R349-M351 PolarHBondContact O-N 2.88Å; R349-Q352 PolarHBondContact O-N 2.95Å
350M93.6Very high93.4Very high137 Ų13767.8 Ų67.868%0.67535%0.347SS*.Hα-helixtrans-61.1-28.9173.1-73179.170.500112.7V346 L348 Q352V346-M350 HydrophobicContact CG1-SD 4.31Å; V346-M350 VanDerWaalsContact O-CG 3.31Å; V346-M350 WeakPolarHBondContact O-CG 3.4Å; V346-M350 PolarHBondContact O-N 2.98Å; L348-M350 VanDerWaalsContact C-N 3.29Å; L348-M350 PolarHBondContact O-N 3.35Å; M350-Q352 VanDerWaalsContact C-N 3.28Å
351M94.7Very high93.4Very high33 Ų3365.5 Ų65.516%0.16333%0.332CS..THydrogen-bonded Turntrans-88.18.4175.2-60.1-64.794.600113.2N291 L292 L326 A347 L348 R349 V353N291-M351 HydrophobicContact CB-SD 4.43Å; L292-M351 HydrophobicContact CB-CB 4.16Å; L292-M351 HydrophobicContact CB-CG 4.46Å; L292-M351 HydrophobicContact CD1-CB 4.47Å; L326-M351 HydrophobicContact CD1-CG 4.3Å; L326-M351 HydrophobicContact CD2-CG 3.86Å; A347-M351 WeakPolarHBondContact O-CG 3.43Å; A347-M351 PolarHBondContact O-N 3.45Å; L348-M351 CarbonylContact O-C 3.55Å; L348-M351 WeakPolarHBondContact O-CA 3.48Å; L348-M351 WeakPolarHBondContact O-CB 3.34Å; L348-M351 PolarHBondContact O-N 3.35Å; R349-M351 PolarHBondContact O-N 2.88Å; M351-V353 VanDerWaalsContact C-N 3.25Å; M351-V353 HydrophobicContact CB-CG2 4.23Å; M351-V353 PolarHBondContact O-N 3.38Å
352Q92.9Very high93.3Very high139 Ų13966.6 Ų66.665%0.6534%0.337SS*.THydrogen-bonded Turntrans55.137-179.4-56-179.4-400113.6L293 L348 R349 M350 E354L293-Q352 HydrophobicContact CD1-CB 4.38Å; L293-Q352 HydrophobicContact CD2-CG 4.41Å; L348-Q352 PolarHBondContact O-N 3.32Å; R349-Q352 PolarHBondContact O-N 2.95Å; M350-Q352 VanDerWaalsContact C-N 3.28Å; Q352-E354 PolarHBondContact O-N 3.36Å
353V88.9Confident93.3Very high37 Ų3764.6 Ų64.622%0.22433%0.33CS..  trans-73.1119.8170.3-169.60000108L292 L348 M351 V356L292-V353 HydrophobicContact CD1-CG2 4.09Å; L348-V353 HydrophobicContact CB-CG2 4.45Å; L348-V353 HydrophobicContact CD2-CG2 4.21Å; L348-V353 PolarHBondContact O-N 3.22Å; M351-V353 VanDerWaalsContact C-N 3.25Å; M351-V353 HydrophobicContact CB-CG2 4.23Å; M351-V353 PolarHBondContact O-N 3.38Å; V353-V356 HydrophobicContact CB-CG2 3.57Å; V353-V356 HydrophobicContact CG1-CG2 3.29Å
354E85Confident93.3Very high170 Ų17064.5 Ų64.579%0.79433%0.326SS*.THydrogen-bonded Turntrans-65.6145.5-177.3-64.2179.3172.600111.6Q352 V356Q352-E354 PolarHBondContact O-N 3.36Å; E354-V356 PolarHBondContact O-N 3.24Å
355D83.7Confident93.3Very high162 Ų16264.5 Ų64.587%0.86633%0.326SS*.THydrogen-bonded Turntrans5128.1172.5-59-32.8000116.4D357D355-D357 PolarHBondContact O-N 3.24Å
356V90.9Very high93.3Very high12 Ų1266.1 Ų66.17%0.07334%0.341CS..  trans-78121.4177.1178.60000111.4L345 L348 V353 E354 E360 V361L345-V356 HydrophobicContact CD1-CB 4.33Å; L345-V356 HydrophobicContact CD1-CG1 3.6Å; L345-V356 VanDerWaalsContact CD1-O 3.31Å; L345-V356 WeakPolarHBondContact CD1-O 3.44Å; L348-V356 HydrophobicContact CB-CG1 4.08Å; L348-V356 HydrophobicContact CD1-CG1 3.62Å; V353-V356 HydrophobicContact CB-CG2 3.57Å; V353-V356 HydrophobicContact CG1-CG2 3.29Å; E354-V356 PolarHBondContact O-N 3.24Å; V356-E360 HydrophobicContact CG1-CB 4.46Å; V356-V361 HydrophobicContact CG1-CG2 3.94Å
357D93.6Very high93.3Very high79 Ų7965.9 Ų65.942%0.42234%0.337SS..  trans-113.9-173.1166.665.916.6000111.5D355 D359 E360 V361D355-D357 PolarHBondContact O-N 3.24Å; D357-D359 VanDerWaalsContact C-N 3.31Å; D357-D359 PolarHBondContact OD1-N 3.45Å; D357-E360 PolarHBondContact OD1-N 3.3Å; D357-V361 VanDerWaalsContact O-CG2 3.31Å; D357-V361 WeakPolarHBondContact O-CG2 3.44Å; D357-V361 PolarHBondContact O-N 2.82Å; D357-V361 VanDerWaalsContact O-N 3.17Å
358I93.4Very high93.3Very high36 Ų3665.6 Ų65.619%0.18533%0.333CS..Hα-helixtrans-69.1-30.9179.9-67.9-68.9000111.8L341 L345 V361 Q362L341-I358 HydrophobicContact CB-CD1 4.08Å; L341-I358 HydrophobicContact CB-CG2 4.45Å; L341-I358 HydrophobicContact CD1-CG2 4.1Å; L345-I358 HydrophobicContact CB-CD1 4.13Å; L345-I358 HydrophobicContact CD2-CD1 3.69Å; L345-I358 HydrophobicContact CD2-CG1 4.04Å; L345-I358 HydrophobicContact CG-CD1 4.48Å; I358-V361 WeakPolarHBondContact O-CB 3.15Å; I358-V361 PolarHBondContact O-N 3.37Å; I358-Q362 HydrophobicContact CG2-CG 4.5Å; I358-Q362 VanDerWaalsContact O-CG 3.3Å; I358-Q362 WeakPolarHBondContact O-CG 3.12Å; I358-Q362 PolarHBondContact O-N 3.39Å
359D93.4Very high93.3Very high109 Ų10967.7 Ų67.758%0.58334%0.344SS*.Hα-helixtrans-70.1-39.5-179.7-67.9-19.3000110.1D357 Q362 C363D357-D359 VanDerWaalsContact C-N 3.31Å; D357-D359 PolarHBondContact OD1-N 3.45Å; D359-Q362 WeakPolarHBondContact O-CB 3.41Å; D359-Q362 PolarHBondContact O-N 3.1Å; D359-C363 PolarHBondContact O-N 3.32Å
360E93.9Very high93.4Very high84 Ų8470.2 Ų70.239%0.39336%0.355SS..Hα-helixtrans-65.8-40.5173.3-171.256.7-150.900111.8V356 D357 Q362 C363 L364V356-E360 HydrophobicContact CG1-CB 4.46Å; D357-E360 PolarHBondContact OD1-N 3.3Å; E360-Q362 VanDerWaalsContact C-N 3.3Å; E360-Q362 PolarHBondContact O-N 3Å; E360-C363 WeakPolarHBondContact O-CB 3.46Å; E360-C363 PolarHBondContact O-N 2.85Å; E360-L364 WeakPolarHBondContact O-CG 3.26Å; E360-L364 PolarHBondContact O-N 3.36Å
361V95.4Very high93.3Very high0 Ų066.9 Ų66.90%034%0.339CS..Hα-helixtrans-57.4-45.6172.1170.20000110.9L341 F344 L345 L348 V356 D357 I358 C363 L364 L365L341-V361 HydrophobicContact CB-CG1 4.5Å; L341-V361 HydrophobicContact CD2-CG1 4.17Å; F344-V361 HydrophobicContact CB-CG1 3.75Å; L345-V361 HydrophobicContact CB-CG2 4.04Å; L345-V361 HydrophobicContact CD1-CG2 4.18Å; L348-V361 HydrophobicContact CD1-CG2 3.7Å; V356-V361 HydrophobicContact CG1-CG2 3.94Å; D357-V361 VanDerWaalsContact O-CG2 3.31Å; D357-V361 WeakPolarHBondContact O-CG2 3.44Å; D357-V361 PolarHBondContact O-N 2.82Å; D357-V361 VanDerWaalsContact O-N 3.17Å; I358-V361 WeakPolarHBondContact O-CB 3.15Å; I358-V361 PolarHBondContact O-N 3.37Å; V361-C363 VanDerWaalsContact C-N 3.35Å; V361-L364 PolarHBondContact O-N 3.45Å; V361-L365 HydrophobicContact CG1-CD1 3.86Å; V361-L365 HydrophobicContact CG1-CG 4.43Å; V361-L365 WeakPolarHBondContact O-CB 3.26Å; V361-L365 VanDerWaalsContact O-CG 3.31Å; V361-L365 WeakPolarHBondContact O-CG 3.4Å; V361-L365 PolarHBondContact O-N 3.25Å
362Q94.7Very high93.2Very high22 Ų2266.5 Ų66.510%0.10334%0.344CS..Hα-helixtrans-62.6-42.9177.8-72.3174.517.200111.2L341 I358 D359 E360 L365 A366 I378 H380L341-Q362 HydrophobicContact CD1-CG 3.6Å; I358-Q362 HydrophobicContact CG2-CG 4.5Å; I358-Q362 VanDerWaalsContact O-CG 3.3Å; I358-Q362 WeakPolarHBondContact O-CG 3.12Å; I358-Q362 PolarHBondContact O-N 3.39Å; D359-Q362 WeakPolarHBondContact O-CB 3.41Å; D359-Q362 PolarHBondContact O-N 3.1Å; E360-Q362 VanDerWaalsContact C-N 3.3Å; E360-Q362 PolarHBondContact O-N 3Å; Q362-L365 PolarHBondContact O-N 3.08Å; Q362-A366 VanDerWaalsContact O-CB 3.23Å; Q362-A366 WeakPolarHBondContact O-CB 3.44Å; Q362-A366 PolarHBondContact O-N 3.38Å; Q362-I378 HydrophobicContact CB-CD1 4.45Å; Q362-I378 HydrophobicContact CG-CG2 4.34Å; Q362-I378 WeakPolarHBondContact O-CD1 3.44Å; Q362-H380 PolarHBondContact OE1-CE1 3.18Å; Q362-H380 PolarHBondContact OE1-ND1 3.24Å; Q362-H380 VanDerWaalsContact OE1-ND1 3.07Å
363C95.1Very high93.3Very high54 Ų5461 Ų6137%0.36532%0.318SS..Hα-helixtrans-58.4-50176.2-175.10000111.6D359 E360 V361 L365 A366 N367D359-C363 PolarHBondContact O-N 3.32Å; E360-C363 WeakPolarHBondContact O-CB 3.46Å; E360-C363 PolarHBondContact O-N 2.85Å; V361-C363 VanDerWaalsContact C-N 3.35Å; C363-L365 PolarHBondContact O-N 3.49Å; C363-A366 PolarHBondContact O-N 2.7Å; C363-N367 WeakPolarHBondContact O-CB 3.35Å; C363-N367 VanDerWaalsContact O-CG 3.31Å; C363-N367 PolarHBondContact O-N 2.87Å; C363-N367 PolarHBondContact O-ND2 3.2Å; C363-N367 VanDerWaalsContact O-ND2 3.13Å
364L95.7Very high93.6Very high23 Ų2359.3 Ų59.312%0.1231%0.307CS..Hα-helixtrans-60.1-45.2177.7-69.8171.9000112Y323 F327 L348 E360 V361 N367 L368Y323-L364 HydrophobicContact CD1-CD1 4.15Å; Y323-L364 HydrophobicContact CD2-CD2 4.34Å; Y323-L364 HydrophobicContact CE1-CD1 3.77Å; Y323-L364 HydrophobicContact CE1-CD2 4.32Å; Y323-L364 HydrophobicContact CE2-CD2 4.1Å; F327-L364 HydrophobicContact CE2-CB 4.26Å; F327-L364 HydrophobicContact CZ-CB 4.45Å; F327-L364 HydrophobicContact CZ-CD1 4.49Å; L348-L364 HydrophobicContact CD1-CD1 3.83Å; L348-L364 HydrophobicContact CD2-CD1 4.49Å; E360-L364 WeakPolarHBondContact O-CG 3.26Å; E360-L364 PolarHBondContact O-N 3.36Å; V361-L364 PolarHBondContact O-N 3.45Å; L364-N367 PolarHBondContact O-N 3.16Å; L364-L368 VanDerWaalsContact O-CG 3.31Å; L364-L368 WeakPolarHBondContact O-CG 3.49Å; L364-L368 PolarHBondContact O-N 3.49Å
365L96.6Very high94.1Very high0 Ų056.4 Ų56.40%029%0.292CS..Hα-helixtrans-65.1-42.7177.5-73.9173.7000112.1F327 L341 F344 V361 Q362 C363 N367 L368 I369 I374 I378 L385F327-L365 HydrophobicContact CD2-CD2 3.49Å; F327-L365 VanDerWaalsContact CD2-CD2 3.49Å; F327-L365 HydrophobicContact CD2-CG 4.4Å; F327-L365 HydrophobicContact CE2-CD2 3.68Å; F327-L365 HydrophobicContact CE2-CG 4.1Å; F327-L365 HydrophobicContact CG-CD2 4.35Å; L341-L365 HydrophobicContact CD2-CD1 3.46Å; L341-L365 VanDerWaalsContact CD2-CD1 3.46Å; F344-L365 HydrophobicContact CD2-CD1 4.01Å; F344-L365 HydrophobicContact CE2-CD1 4.22Å; F344-L365 HydrophobicContact CG-CD1 4.49Å; V361-L365 HydrophobicContact CG1-CD1 3.86Å; V361-L365 HydrophobicContact CG1-CG 4.43Å; V361-L365 WeakPolarHBondContact O-CB 3.26Å; V361-L365 VanDerWaalsContact O-CG 3.31Å; V361-L365 WeakPolarHBondContact O-CG 3.4Å; V361-L365 PolarHBondContact O-N 3.25Å; Q362-L365 PolarHBondContact O-N 3.08Å; C363-L365 PolarHBondContact O-N 3.49Å; L365-N367 VanDerWaalsContact C-N 3.33Å; L365-N367 PolarHBondContact O-N 3.2Å; L365-L368 PolarHBondContact O-N 2.98Å; L365-I369 VanDerWaalsContact O-CG1 3.27Å; L365-I369 WeakPolarHBondContact O-CG1 3.49Å; L365-I369 PolarHBondContact O-N 3.49Å; L365-I374 HydrophobicContact CD2-CD1 3.88Å; L365-I378 HydrophobicContact CB-CD1 3.81Å; L365-I378 HydrophobicContact CB-CG1 4.4Å; L365-L385 HydrophobicContact CD1-CB 4.28Å; L365-L385 HydrophobicContact CD1-CD2 4.36Å; L365-L385 HydrophobicContact CD2-CD2 3.77Å
366A96.1Very high94.7Very high45 Ų4550.1 Ų50.137%0.37227%0.265SS..Hα-helixtrans-61.2-44177.500000110.9Q362 C363 L368 I369 Y370 I378Q362-A366 VanDerWaalsContact O-CB 3.23Å; Q362-A366 WeakPolarHBondContact O-CB 3.44Å; Q362-A366 PolarHBondContact O-N 3.38Å; C363-A366 PolarHBondContact O-N 2.7Å; A366-L368 PolarHBondContact O-N 3.31Å; A366-I369 PolarHBondContact O-N 2.99Å; A366-Y370 WeakPolarHBondContact O-CB 3.34Å; A366-Y370 PolarHBondContact O-N 3.01Å; A366-I378 HydrophobicContact CB-CD1 4.08Å
367N95.6Very high94.9Very high77 Ų7756.4 Ų56.441%0.41229%0.289SS..Hα-helixtrans-60.9-43.7174.9-75-35.6000111.9C363 L364 L365 I369 Y370 M371C363-N367 WeakPolarHBondContact O-CB 3.35Å; C363-N367 VanDerWaalsContact O-CG 3.31Å; C363-N367 PolarHBondContact O-N 2.87Å; C363-N367 PolarHBondContact O-ND2 3.2Å; C363-N367 VanDerWaalsContact O-ND2 3.13Å; L364-N367 PolarHBondContact O-N 3.16Å; L365-N367 VanDerWaalsContact C-N 3.33Å; L365-N367 PolarHBondContact O-N 3.2Å; N367-I369 VanDerWaalsContact C-N 3.35Å; N367-I369 PolarHBondContact O-N 3.39Å; N367-Y370 PolarHBondContact O-N 2.95Å; N367-M371 HydrophobicContact CB-CE 4.17Å; N367-M371 WeakPolarHBondContact O-CB 3.4Å; N367-M371 VanDerWaalsContact O-CE 3.25Å; N367-M371 WeakPolarHBondContact O-CE 3.45Å; N367-M371 WeakPolarHBondContact O-CG 3.39Å; N367-M371 PolarHBondContact O-N 3.29Å
368L96.3Very high95Very high4 Ų454 Ų542%0.02128%0.275CS..Hα-helixtrans-67.4-32.8177.1-71.3173.9000113.1I320 R324 F327 L364 L365 A366 M371 G372 H373 I374I320-L368 HydrophobicContact CG2-CD2 3.86Å; R324-L368 HydrophobicContact CB-CD1 4.49Å; R324-L368 HydrophobicContact CB-CD2 4Å; F327-L368 HydrophobicContact CD2-CD1 3.55Å; F327-L368 HydrophobicContact CE2-CD1 3.79Å; L364-L368 VanDerWaalsContact O-CG 3.31Å; L364-L368 WeakPolarHBondContact O-CG 3.49Å; L364-L368 PolarHBondContact O-N 3.49Å; L365-L368 PolarHBondContact O-N 2.98Å; A366-L368 PolarHBondContact O-N 3.31Å; L368-M371 HydrophobicContact CD2-CE 4.22Å; L368-G372 PolarHBondContact O-N 3.09Å; L368-H373 HydrophobicContact CB-CB 4.4Å; L368-H373 HydrophobicContact CD2-CB 3.97Å; L368-H373 WeakPolarHBondContact O-CA 3.47Å; L368-H373 WeakPolarHBondContact O-CB 3.5Å; L368-H373 PolarHBondContact O-N 3Å; L368-I374 HydrophobicContact CB-CD1 3.73Å; L368-I374 HydrophobicContact CB-CG1 3.96Å; L368-I374 HydrophobicContact CD1-CD1 3.8Å; L368-I374 HydrophobicContact CG-CD1 4.42Å; L368-I374 PolarHBondContact O-N 3.14Å; L368-I374 VanDerWaalsContact O-N 3.13Å
369I96.1Very high95.1Very high44 Ų4453.3 Ų53.323%0.22627%0.274CS..Hα-helixtrans-69.5-48.4172.9-68.6161.7000110.3L365 A366 N367 M371 G372 I374 G376 I378 L385L365-I369 VanDerWaalsContact O-CG1 3.27Å; L365-I369 WeakPolarHBondContact O-CG1 3.49Å; L365-I369 PolarHBondContact O-N 3.49Å; A366-I369 PolarHBondContact O-N 2.99Å; N367-I369 VanDerWaalsContact C-N 3.35Å; N367-I369 PolarHBondContact O-N 3.39Å; I369-M371 VanDerWaalsContact C-N 3.3Å; I369-M371 PolarHBondContact O-N 3.18Å; I369-G372 WeakPolarHBondContact O-CA 2.98Å; I369-G372 PolarHBondContact O-N 2.91Å; I369-I374 WeakPolarHBondContact CA-O 3.33Å; I369-I374 HydrophobicContact CG1-CB 4.07Å; I369-I374 HydrophobicContact CG1-CG2 4.12Å; I369-G376 WeakPolarHBondContact CG2-O 3.37Å; I369-I378 HydrophobicContact CD1-CD1 4.4Å; I369-I378 HydrophobicContact CD1-CG1 3.96Å; I369-L385 HydrophobicContact CD1-CD1 3.8Å
370Y95Very high94.9Very high207 Ų20753.5 Ų53.581%0.81227%0.271SS*.Hα-helixtrans-57.3-44178.9174.8-100.9000111.8A366 N367 G372A366-Y370 WeakPolarHBondContact O-CB 3.34Å; A366-Y370 PolarHBondContact O-N 3.01Å; N367-Y370 PolarHBondContact O-N 2.95Å; Y370-G372 PolarHBondContact O-N 3.1Å
371M91.6Very high94.8Very high67 Ų6757.8 Ų57.833%0.3329%0.292SS..THydrogen-bonded Turntrans-72-4.9175.1-69.9-175.5-76.100113.7I320 N367 L368 I369 H373 V399I320-M371 HydrophobicContact CD1-CE 4.23Å; I320-M371 HydrophobicContact CD1-SD 4.12Å; I320-M371 HydrophobicContact CG1-CE 4.32Å; I320-M371 HydrophobicContact CG2-CE 3.47Å; I320-M371 VanDerWaalsContact CG2-CE 3.47Å; I320-M371 HydrophobicContact CG2-SD 3.99Å; N367-M371 HydrophobicContact CB-CE 4.17Å; N367-M371 WeakPolarHBondContact O-CB 3.4Å; N367-M371 VanDerWaalsContact O-CE 3.25Å; N367-M371 WeakPolarHBondContact O-CE 3.45Å; N367-M371 WeakPolarHBondContact O-CG 3.39Å; N367-M371 PolarHBondContact O-N 3.29Å; L368-M371 HydrophobicContact CD2-CE 4.22Å; I369-M371 VanDerWaalsContact C-N 3.3Å; I369-M371 PolarHBondContact O-N 3.18Å; M371-H373 VanDerWaalsContact C-N 3.27Å; M371-H373 PolarHBondContact O-N 3.44Å; M371-V399 WeakPolarHBondContact O-CG1 3.42Å
372G93.5Very high94.6Very high26 Ų2663.3 Ų63.327%0.26832%0.317SS..THydrogen-bonded Turntrans76.68.5-179.800000114.9L368 I369 Y370 I374 P394 V399L368-G372 PolarHBondContact O-N 3.09Å; I369-G372 WeakPolarHBondContact O-CA 2.98Å; I369-G372 PolarHBondContact O-N 2.91Å; Y370-G372 PolarHBondContact O-N 3.1Å; G372-I374 VanDerWaalsContact C-N 3.3Å; G372-P394 WeakPolarHBondContact O-CG 3.23Å; G372-V399 WeakPolarHBondContact O-CG2 3.31Å
373H94.2Very high94.5Very high22 Ų2265.9 Ų65.910%0.10233%0.329CS..SBendtrans-73.6-22.6176.7-73.4-42.5000113.4R324 L368 M371R324-H373 HydrophobicContact CG-CB 3.96Å; L368-H373 HydrophobicContact CB-CB 4.4Å; L368-H373 HydrophobicContact CD2-CB 3.97Å; L368-H373 WeakPolarHBondContact O-CA 3.47Å; L368-H373 WeakPolarHBondContact O-CB 3.5Å; L368-H373 PolarHBondContact O-N 3Å; M371-H373 VanDerWaalsContact C-N 3.27Å; M371-H373 PolarHBondContact O-N 3.44Å
374I96.3Very high94.6Very high2 Ų266.8 Ų66.81%0.0133%0.327CS..SBendtrans-128.5131.8172.2-60.9178.9000108.3F327 L365 L368 I369 G372 L385 V387 P392 F393F327-I374 HydrophobicContact CD2-CD1 4.41Å; L365-I374 HydrophobicContact CD2-CD1 3.88Å; L368-I374 HydrophobicContact CB-CD1 3.73Å; L368-I374 HydrophobicContact CB-CG1 3.96Å; L368-I374 HydrophobicContact CD1-CD1 3.8Å; L368-I374 HydrophobicContact CG-CD1 4.42Å; L368-I374 PolarHBondContact O-N 3.14Å; L368-I374 VanDerWaalsContact O-N 3.13Å; I369-I374 WeakPolarHBondContact CA-O 3.33Å; I369-I374 HydrophobicContact CG1-CB 4.07Å; I369-I374 HydrophobicContact CG1-CG2 4.12Å; G372-I374 VanDerWaalsContact C-N 3.3Å; I374-L385 HydrophobicContact CG2-CD2 4.4Å; I374-V387 HydrophobicContact CG2-CG1 4.23Å; I374-P392 WeakPolarHBondContact CA-O 2.87Å; I374-F393 HydrophobicContact CD1-CE1 3.75Å; I374-F393 HydrophobicContact CD1-CZ 4.26Å; I374-F393 HydrophobicContact CG1-CD1 3.91Å; I374-F393 HydrophobicContact CG1-CE1 3.58Å; I374-F393 HydrophobicContact CG1-CZ 4.29Å
375K96.1Very high94.6Very high110 Ų11065.7 Ų65.748%0.47832%0.321SS..  trans-98.4109.2171.2-68.5-174.1177.4-174.70109.1V387 S388 P392 P394K375-V387 WeakPolarHBondContact O-CA 3.46Å; K375-S388 WeakPolarHBondContact O-CB 3.43Å; K375-S388 PolarHBondContact O-N 2.83Å; K375-P392 PolarHBondContact N-O 2.99Å; K375-P394 HydrophobicContact CG-CG 4.42Å
376G95Very high94.6Very high29 Ų2967 Ų6730%0.29933%0.329SS..EExtended strand (participates in β ladder)trans170.4-170.1-177.800000112.3I369 V386I369-G376 WeakPolarHBondContact CG2-O 3.37Å; G376-V386 CarbonylContact C-O 3.47Å; G376-V386 WeakPolarHBondContact CA-O 3.35Å
377Y95.8Very high94.6Very high145 Ų14565.2 Ų65.257%0.56931%0.313SS*.EExtended strand (participates in β ladder)trans-141.4157.1173.465.7-87.4000110.7V386Y377-V386 HydrophobicContact CD1-CB 4.16Å; Y377-V386 HydrophobicContact CD2-CB 4.45Å; Y377-V386 HydrophobicContact CE1-CB 3.71Å; Y377-V386 HydrophobicContact CE1-CG1 3.72Å; Y377-V386 HydrophobicContact CE1-CG2 4.44Å; Y377-V386 HydrophobicContact CE2-CB 4.03Å; Y377-V386 HydrophobicContact CE2-CG2 3.98Å; Y377-V386 PolarHBondContact N-O 2.68Å; Y377-V386 PolarHBondContact O-N 3Å
378I96.3Very high94.5Very high27 Ų2763.5 Ų63.514%0.13831%0.308CS..EExtended strand (participates in β ladder)trans-92.7124.6175.6-57.4172.9000108.1L341 Q362 L365 A366 I369 L385L341-I378 HydrophobicContact CD1-CG2 4.49Å; Q362-I378 HydrophobicContact CB-CD1 4.45Å; Q362-I378 HydrophobicContact CG-CG2 4.34Å; Q362-I378 WeakPolarHBondContact O-CD1 3.44Å; L365-I378 HydrophobicContact CB-CD1 3.81Å; L365-I378 HydrophobicContact CB-CG1 4.4Å; A366-I378 HydrophobicContact CB-CD1 4.08Å; I369-I378 HydrophobicContact CD1-CD1 4.4Å; I369-I378 HydrophobicContact CD1-CG1 3.96Å; I378-L385 HydrophobicContact CG1-CD1 4.07Å
379S94.7Very high94.3Very high23 Ų2371.8 Ų71.816%0.16134%0.343CS..EExtended strand (participates in β ladder)trans-94.797.5170.3-178.30000109H382 Q383 K384S379-H382 PolarHBondContact O-N 3.39Å; S379-H382 PolarHBondContact OG-CD2 3.49Å; S379-H382 VanDerWaalsContact OG-CD2 3.3Å; S379-Q383 PolarHBondContact O-N 3Å; S379-K384 PolarHBondContact N-O 3Å; S379-K384 PolarHBondContact O-N 2.98Å; S379-K384 VanDerWaalsContact O-N 3.17Å
380H89.3Confident93.9Very high112 Ų11277.3 Ų77.352%0.51937%0.368SS..THydrogen-bonded Turntrans-62.7-42.5-179.7-71.6-84000112.3Q362 H382 Q383Q362-H380 PolarHBondContact OE1-CE1 3.18Å; Q362-H380 PolarHBondContact OE1-ND1 3.24Å; Q362-H380 VanDerWaalsContact OE1-ND1 3.07Å; H380-H382 PolarHBondContact O-N 3.07Å; H380-Q383 PolarHBondContact O-N 3.1Å; H380-Q383 PolarHBondContact O-NE2 3.06Å
381Q90.8Very high93.6Very high175 Ų17573 Ų7382%0.81836%0.359SS*.THydrogen-bonded Turntrans-60.4-34.2179.8-172.7177.49.800112.6
382H91.1Very high93.7Very high115 Ų11570.3 Ų70.353%0.53235%0.347SS..THydrogen-bonded Turntrans-102.62.2-178.1-60.5-53.9000113.8S379 H380 K384S379-H382 PolarHBondContact O-N 3.39Å; S379-H382 PolarHBondContact OG-CD2 3.49Å; S379-H382 VanDerWaalsContact OG-CD2 3.3Å; H380-H382 PolarHBondContact O-N 3.07Å; H382-K384 VanDerWaalsContact C-N 3.29Å; H382-K384 HydrophobicContact CB-CD 4.26Å; H382-K384 WeakPolarHBondContact O-CG 3.23Å; H382-K384 PolarHBondContact O-N 3.39Å
383Q94.6Very high93.7Very high77 Ų7769.7 Ų69.736%0.3634%0.337SS..THydrogen-bonded Turntrans48.748.7-177.1-63.7-65.9-46.800112.6L341 S379 H380L341-Q383 HydrophobicContact CD1-CB 4.36Å; L341-Q383 WeakPolarHBondContact CG-O 3.44Å; L341-Q383 PolarHBondContact N-O 3.47Å; S379-Q383 PolarHBondContact O-N 3Å; H380-Q383 PolarHBondContact O-N 3.1Å; H380-Q383 PolarHBondContact O-NE2 3.06Å
384K95.7Very high93.6Very high73 Ų7368.9 Ų68.932%0.31733%0.334SS..EExtended strand (participates in β ladder)trans-136.7144.7-176.1-74.8167.8-170.7-174.20112.5Q338 L339 S379 H382Q338-K384 HydrophobicContact CB-CD 4.34Å; L339-K384 CarbonylContact O-C 3.5Å; L339-K384 VanDerWaalsContact O-CA 3.25Å; L339-K384 WeakPolarHBondContact O-CA 3.39Å; S379-K384 PolarHBondContact N-O 3Å; S379-K384 PolarHBondContact O-N 2.98Å; S379-K384 VanDerWaalsContact O-N 3.17Å; H382-K384 VanDerWaalsContact C-N 3.29Å; H382-K384 HydrophobicContact CB-CD 4.26Å; H382-K384 WeakPolarHBondContact O-CG 3.23Å; H382-K384 PolarHBondContact O-N 3.39Å
385L96.7Very high93.3Very high0 Ų072.5 Ų72.50%036%0.357CS..EExtended strand (participates in β ladder)trans-87.2121.1161.1178.671.9000109.2L339 F344 L365 I369 I374 I378 V387L339-L385 HydrophobicContact CB-CB 4.37Å; L339-L385 HydrophobicContact CD1-CD2 4.22Å; L339-L385 PolarHBondContact N-O 3.35Å; L339-L385 PolarHBondContact O-N 2.87Å; F344-L385 HydrophobicContact CE2-CB 3.95Å; F344-L385 HydrophobicContact CE2-CD2 3.98Å; F344-L385 HydrophobicContact CZ-CB 4.44Å; F344-L385 HydrophobicContact CZ-CD2 3.67Å; L365-L385 HydrophobicContact CD1-CB 4.28Å; L365-L385 HydrophobicContact CD1-CD2 4.36Å; L365-L385 HydrophobicContact CD2-CD2 3.77Å; I369-L385 HydrophobicContact CD1-CD1 3.8Å; I374-L385 HydrophobicContact CG2-CD2 4.4Å; I378-L385 HydrophobicContact CG1-CD1 4.07Å; L385-V387 HydrophobicContact CD2-CG1 3.62Å; L385-V387 HydrophobicContact CG-CG1 3.75Å
386V96.3Very high92.9Very high27 Ų2768 Ų6816%0.16434%0.338CS..EExtended strand (participates in β ladder)trans-100.9109.9174.1-175.10000108.7H337 Q338 G376 Y377H337-V386 CarbonylContact O-C 3.6Å; H337-V386 WeakPolarHBondContact O-CA 3.26Å; Q338-V386 HydrophobicContact CG-CG2 4.44Å; G376-V386 CarbonylContact C-O 3.47Å; G376-V386 WeakPolarHBondContact CA-O 3.35Å; Y377-V386 HydrophobicContact CD1-CB 4.16Å; Y377-V386 HydrophobicContact CD2-CB 4.45Å; Y377-V386 HydrophobicContact CE1-CB 3.71Å; Y377-V386 HydrophobicContact CE1-CG1 3.72Å; Y377-V386 HydrophobicContact CE1-CG2 4.44Å; Y377-V386 HydrophobicContact CE2-CB 4.03Å; Y377-V386 HydrophobicContact CE2-CG2 3.98Å; Y377-V386 PolarHBondContact N-O 2.68Å; Y377-V386 PolarHBondContact O-N 3Å
387V96.3Very high92.2Very high7 Ų770 Ų704%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-97.4151.8-176.9-60.10000112.2Y331 H337 L339 I374 K375 L385 P392Y331-V387 HydrophobicContact CD2-CG2 4Å; Y331-V387 HydrophobicContact CE2-CG2 3.82Å; H337-V387 HydrophobicContact CB-CG2 4.38Å; H337-V387 PolarHBondContact O-N 2.93Å; L339-V387 HydrophobicContact CD1-CG1 3.86Å; L339-V387 HydrophobicContact CD1-CG2 4.16Å; I374-V387 HydrophobicContact CG2-CG1 4.23Å; K375-V387 WeakPolarHBondContact O-CA 3.46Å; L385-V387 HydrophobicContact CD2-CG1 3.62Å; L385-V387 HydrophobicContact CG-CG1 3.75Å; V387-P392 HydrophobicContact CB-CB 3.7Å; V387-P392 HydrophobicContact CG2-CB 3.85Å
388S93.9Very high91.3Very high42 Ų4266.8 Ų66.829%0.29435%0.346SS..  trans-55.2143.9176.6176.10000111.9H337 K375 Q390 P392H337-S388 PolarHBondContact ND1-O 3.13Å; K375-S388 WeakPolarHBondContact O-CB 3.43Å; K375-S388 PolarHBondContact O-N 2.83Å; S388-Q390 VanDerWaalsContact C-N 3.26Å; S388-Q390 WeakPolarHBondContact CB-O 3.31Å; S388-Q390 PolarHBondContact O-N 3.27Å; S388-Q390 PolarHBondContact OG-N 3.26Å; S388-Q390 VanDerWaalsContact OG-N 3.09Å; S388-Q390 PolarHBondContact OG-O 3.38Å; S388-P392 WeakPolarHBondContact O-CB 3.46Å
389K90.6Very high90.2Very high177 Ų17767.3 Ų67.377%0.7735%0.35SS*.SBendtrans-68.1-29.9171-66.4-176.4-179.7179.50112.3
390Q89.2Confident88.4Confident160 Ų16069.1 Ų69.175%0.74836%0.363SS*.SBendtrans-106.5119.6179.5-64.6179.85.100109.7S388S388-Q390 VanDerWaalsContact C-N 3.26Å; S388-Q390 WeakPolarHBondContact CB-O 3.31Å; S388-Q390 PolarHBondContact O-N 3.27Å; S388-Q390 PolarHBondContact OG-N 3.26Å; S388-Q390 VanDerWaalsContact OG-N 3.09Å; S388-Q390 PolarHBondContact OG-O 3.38Å
391N88.9Confident88.4Confident116 Ų11667 Ų6762%0.6236%0.356SS*.  trans44.961.4176.2-66.5-35.7000113.8F393N391-F393 PolarHBondContact O-N 3.33Å; N391-F393 VanDerWaalsContact O-N 3.14Å
392P92.3Very high88.2Confident12 Ų1261.3 Ų61.38%0.07833%0.331CS..SBendtrans-58.3-27.8-179.121.1-31.6000113.2Y331 I374 K375 V387 S388Y331-P392 HydrophobicContact CD1-CG 4.26Å; Y331-P392 HydrophobicContact CE1-CG 3.54Å; Y331-P392 HydrophobicContact CE2-CG 4.32Å; I374-P392 WeakPolarHBondContact CA-O 2.87Å; K375-P392 PolarHBondContact N-O 2.99Å; V387-P392 HydrophobicContact CB-CB 3.7Å; V387-P392 HydrophobicContact CG2-CB 3.85Å; S388-P392 WeakPolarHBondContact O-CB 3.46Å
393F94.3Very high88.1Confident13 Ų1358.3 Ų58.36%0.05732%0.32CS..SBendtrans-122.687.7174.2-67.2-96.2000109R324 F327 K328 Y331 I374 N391R324-F393 HydrophobicContact CG-CD1 4.25Å; R324-F393 PolarHBondContact NH2-O 2.99Å; R324-F393 VanDerWaalsContact NH2-O 3.09Å; F327-F393 HydrophobicContact CB-CE1 4.24Å; F327-F393 HydrophobicContact CB-CZ 4.42Å; K328-F393 HydrophobicContact CB-CD1 3.71Å; K328-F393 HydrophobicContact CB-CD2 4.29Å; K328-F393 HydrophobicContact CB-CE1 3.87Å; K328-F393 HydrophobicContact CB-CE2 4.47Å; K328-F393 HydrophobicContact CB-CG 3.93Å; K328-F393 HydrophobicContact CB-CZ 4.27Å; K328-F393 HydrophobicContact CD-CB 3.98Å; K328-F393 HydrophobicContact CD-CG 4.26Å; K328-F393 HydrophobicContact CG-CB 4.13Å; K328-F393 HydrophobicContact CG-CD1 4.19Å; K328-F393 HydrophobicContact CG-CD2 4.09Å; K328-F393 HydrophobicContact CG-CG 3.87Å; Y331-F393 AromaticContact CD1-CD2 3.94Å; Y331-F393 HydrophobicContact CD1-CD2 3.94Å; Y331-F393 AromaticContact CD1-CE2 3.8Å; Y331-F393 HydrophobicContact CD1-CE2 3.8Å; Y331-F393 HydrophobicContact CG-CD2 4.35Å; Y331-F393 AromaticContact CG-CE2 3.74Å; Y331-F393 HydrophobicContact CG-CE2 3.74Å; I374-F393 HydrophobicContact CD1-CE1 3.75Å; I374-F393 HydrophobicContact CD1-CZ 4.26Å; I374-F393 HydrophobicContact CG1-CD1 3.91Å; I374-F393 HydrophobicContact CG1-CE1 3.58Å; I374-F393 HydrophobicContact CG1-CZ 4.29Å; N391-F393 PolarHBondContact O-N 3.33Å; N391-F393 VanDerWaalsContact O-N 3.14Å
394P92.6Very high87.7Confident5 Ų557.2 Ų57.23%0.03232%0.318CS..  trans-62.2155.9-177.225.2-34.7000112.5R324 G372 K375 V399R324-P394 PolarHBondContact NH2-O 3.5Å; G372-P394 WeakPolarHBondContact O-CG 3.23Å; K375-P394 HydrophobicContact CG-CG 4.42Å; P394-V399 HydrophobicContact CB-CG2 4.23Å; P394-V399 HydrophobicContact CG-CG2 3.82Å
395P89.8Confident87.2Confident78 Ų7856.3 Ų56.351%0.50632%0.318SS..  trans-56.1139.1173.6-23.133.4000111.7S397 S398P395-S397 VanDerWaalsContact C-N 3.25Å; P395-S397 PolarHBondContact O-N 3.48Å; P395-S398 WeakPolarHBondContact O-CB 3.38Å; P395-S398 PolarHBondContact O-N 3.42Å; P395-S398 PolarHBondContact O-OG 3.44Å
396L86.1Confident86.6Confident16 Ų1660 Ų608%0.08434%0.339CS..G310 helixtrans-59.1-37-176.6-66.3165.6000112.5G264 I321 S398 V399 S400G264-L396 VanDerWaalsContact CA-CD1 3.42Å; I321-L396 HydrophobicContact CD1-CD1 4.42Å; I321-L396 HydrophobicContact CG1-CD2 4.25Å; I321-L396 HydrophobicContact CG2-CD1 3.57Å; I321-L396 HydrophobicContact CG2-CD2 4.17Å; L396-S398 PolarHBondContact O-N 3.38Å; L396-S398 VanDerWaalsContact O-N 3.14Å; L396-V399 PolarHBondContact O-N 3.37Å; L396-V399 VanDerWaalsContact O-N 3.08Å; L396-S400 PolarHBondContact O-N 2.78Å; L396-S400 PolarHBondContact O-OG 2.99Å
397S80.4Confident85.9Confident69 Ų6962.4 Ų62.448%0.48335%0.352SS..G310 helixtrans-59.3-23.1175.156.60000114.4L263 P395L263-S397 PolarHBondContact O-N 3.13Å; P395-S397 VanDerWaalsContact C-N 3.25Å; P395-S397 PolarHBondContact O-N 3.48Å
398S78.1Confident85.1Confident78 Ų7866.6 Ų66.655%0.54538%0.375SS..G310 helixtrans-86.9-10.9179.168.20000114.1P395 L396P395-S398 WeakPolarHBondContact O-CB 3.38Å; P395-S398 PolarHBondContact O-N 3.42Å; P395-S398 PolarHBondContact O-OG 3.44Å; L396-S398 PolarHBondContact O-N 3.38Å; L396-S398 VanDerWaalsContact O-N 3.14Å
399V72.7Confident84.3Confident38 Ų3868.7 Ų68.723%0.2338%0.382CS..THydrogen-bonded Turntrans-108-19.8-172.9-176.10000112.2M371 G372 P394 L396M371-V399 WeakPolarHBondContact O-CG1 3.42Å; G372-V399 WeakPolarHBondContact O-CG2 3.31Å; P394-V399 HydrophobicContact CB-CG2 4.23Å; P394-V399 HydrophobicContact CG-CG2 3.82Å; L396-V399 PolarHBondContact O-N 3.37Å; L396-V399 VanDerWaalsContact O-N 3.08Å
400S57.3Low83.8Confident62 Ų6258.8 Ų58.843%0.43435%0.347SS..  trans-75.20-172.7-50.80000113.9K228 L263 L396K228-S400 VanDerWaalsContact CE-C 3.47Å; K228-S400 WeakPolarHBondContact CE-O 3.48Å; K228-S400 PolarHBondContact NZ-O 3.34Å; L263-S400 VanDerWaalsContact CD2-OG 3.25Å; L263-S400 WeakPolarHBondContact CD2-OG 3.49Å; L396-S400 PolarHBondContact O-N 2.78Å; L396-S400 PolarHBondContact O-OG 2.99Å

Retrieved 400 of 400 residues in 1216.5 ms (Link to these results)

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