A0A060Y6L0_ONCMY Loading...

Adenylate kinase isoenzyme 6

Broad-specificity nucleoside monophosphate (NMP) kinase that catalyzes the reversible transfer of the terminal phosphate group between nucleoside triphosphates and monophosphates. Has also ATPase activity. Involved in the late cytoplasmic maturation steps of the 40S ribosomal particles, specifically 18S rRNA maturation. While NMP activity is not required for ribosome maturation, ATPase activity is. Associates transiently with small ribosomal subunit protein uS11. ATP hydrolysis breaks the interaction with uS11. May temporarily remove uS11 from the ribosome to enable a conformational change of the ribosomal RNA that is needed for the final maturation step of the small ribosomal subunit. Its NMP activity may have a role in nuclear energy homeostasis. May be involved in regulation of Cajal body (CB) formation.

AlphaFold DB , UniProt , Accession A0A060Y6L0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ak6, Length 174 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
1M52.5Low88Confident239 Ų23983.7 Ų83.7100%1.17739%0.389SS*.  0127.90-95.6167.1146.400107.3I3M1-I3 PolarHBondContact O-N 3.49Å
2K62.7Low88.9Confident169 Ų16976.8 Ų76.874%0.73536%0.356SS*.PPolyproline II helixtrans-75.1116.2174.1-162.9-177.6178.4-165.70106.3M4 N174K2-M4 PolarHBondContact O-N 3.21Å; K2-N174 PolarHBondContact NZ-O 2.97Å
3I79.6Confident89.7Confident152 Ų15270.9 Ų70.978%0.77933%0.33SS*.PPolyproline II helixtrans-67.3128.3175-61174.7000106.5M1 K5M1-I3 PolarHBondContact O-N 3.49Å; I3-K5 PolarHBondContact O-N 3.07Å
4M87.3Confident90.3Very high118 Ų11866 Ų6658%0.58131%0.307SS*.PPolyproline II helixtrans-70.7123.8177.2-70.4-143.5-56.500109.6K2 N174K2-M4 PolarHBondContact O-N 3.21Å; M4-N174 VanDerWaalsContact CA-OD1 3.27Å; M4-N174 WeakPolarHBondContact CA-OD1 3.37Å
5K94.8Very high90.8Very high132 Ų13263.3 Ų63.357%0.57430%0.298SS*.PPolyproline II helixtrans-69139.5173.8-65.5-175.7176.5-174.70109.9I3 W169 N174I3-K5 PolarHBondContact O-N 3.07Å; K5-W169 HydrophobicContact CB-CH2 4.12Å; K5-W169 HydrophobicContact CB-CZ3 4.13Å; K5-N174 PolarHBondContact N-OD1 3.28Å; K5-N174 PolarHBondContact O-ND2 3.33Å
6R97.4Very high91.2Very high106 Ų10659.7 Ų59.740%0.428%0.282SS..  trans-128.5145.4175.3-66.1-174.9173.7-163.6-3.1110G31 L32 G76R6-G31 PolarHBondContact NH1-O 3.43Å; R6-L32 HydrophobicContact CB-CD2 4.09Å; R6-L32 HydrophobicContact CG-CD2 4.4Å; R6-G76 VanDerWaalsContact CB-CA 3.48Å; R6-G76 PolarHBondContact O-N 3.35Å
7P98.5Very high91.6Very high0 Ų056.2 Ų56.20%027%0.266CS..  trans-78.5151.9-176.430.8-31.1000111.2G76 Q93 W165 I166 W169P7-G76 VanDerWaalsContact O-CA 3.23Å; P7-G76 WeakPolarHBondContact O-CA 3.32Å; P7-G76 PolarHBondContact O-N 2.9Å; P7-Q93 HydrophobicContact CB-CB 4.22Å; P7-W165 HydrophobicContact CB-CH2 3.82Å; P7-W165 HydrophobicContact CB-CZ3 3.77Å; P7-W165 HydrophobicContact CG-CH2 4.34Å; P7-W165 HydrophobicContact CG-CZ3 3.81Å; P7-I166 HydrophobicContact CG-CG1 4.37Å; P7-I166 HydrophobicContact CG-CG2 4.31Å; P7-W169 HydrophobicContact CB-CD2 3.66Å; P7-W169 HydrophobicContact CB-CE3 3.76Å; P7-W169 HydrophobicContact CB-CG 4.12Å; P7-W169 HydrophobicContact CB-CH2 4.34Å; P7-W169 HydrophobicContact CB-CZ2 4.27Å; P7-W169 HydrophobicContact CB-CZ3 4.11Å; P7-W169 VanDerWaalsContact CD-CE3 3.44Å; P7-W169 HydrophobicContact CG-CD2 4.05Å; P7-W169 HydrophobicContact CG-CE3 3.82Å; P7-W169 HydrophobicContact CG-CG 4.38Å; P7-W169 HydrophobicContact CG-CZ3 4.36Å; P7-W169 VanDerWaalsContact N-CZ3 3.34Å
8N98.9Very high92Very high5 Ų553.8 Ų53.83%0.02726%0.258CS..  trans-96.5138.9163.6-68.2-24.6000110.1M72 G75 G76 V77 W91 F92 Q93N8-M72 HydrophobicContact CB-CE 3.77Å; N8-M72 PolarHBondContact ND2-O 3.29Å; N8-G75 VanDerWaalsContact OD1-C 3.31Å; N8-G75 VanDerWaalsContact OD1-CA 3.25Å; N8-G75 WeakPolarHBondContact OD1-CA 3.22Å; N8-G76 PolarHBondContact OD1-N 3.39Å; N8-V77 CarbonylContact C-O 3.54Å; N8-V77 VanDerWaalsContact CA-O 3.22Å; N8-V77 WeakPolarHBondContact CA-O 3.37Å; N8-V77 PolarHBondContact OD1-N 2.95Å; N8-W91 WeakPolarHBondContact CB-O 3.22Å; N8-W91 PolarHBondContact ND2-O 3.43Å; N8-F92 HydrophobicContact CB-CD1 4.26Å; N8-Q93 PolarHBondContact O-N 2.91Å
9I98.9Very high92.4Very high0 Ų051.8 Ų51.80%025%0.248CC..EExtended strand (participates in β ladder)trans-127.9131.1-174.2-57.1179.6000108.4L11 L32 V77 I78 V79 I94 F96 V162 W165 I166I9-L11 HydrophobicContact CG2-CD2 4Å; I9-L32 HydrophobicContact CD1-CD1 4.2Å; I9-V77 PolarHBondContact N-O 3.2Å; I9-I78 HydrophobicContact CB-CG1 4.43Å; I9-I78 CarbonylContact O-C 3.59Å; I9-I78 WeakPolarHBondContact O-CA 3.29Å; I9-V79 PolarHBondContact O-N 3.43Å; I9-I94 HydrophobicContact CB-CG2 4.26Å; I9-I94 HydrophobicContact CD1-CG2 4.49Å; I9-I94 HydrophobicContact CG1-CG2 3.86Å; I9-I94 HydrophobicContact CG2-CG2 3.97Å; I9-F96 HydrophobicContact CG2-CD2 3.79Å; I9-F96 HydrophobicContact CG2-CE2 4.02Å; I9-V162 HydrophobicContact CD1-CG1 4.08Å; I9-W165 HydrophobicContact CD1-CE3 4.39Å; I9-W165 HydrophobicContact CD1-CZ3 4.04Å; I9-W165 HydrophobicContact CG1-CZ3 4.06Å; I9-I166 HydrophobicContact CD1-CD1 3.6Å; I9-I166 HydrophobicContact CD1-CG1 3.64Å
10L98.9Very high92.7Very high0 Ų051.6 Ų51.60%025%0.251CS..EExtended strand (participates in β ladder)trans-98.3128.4168.1179.859.4000109.9V79 C84 F87 F92 I94 V95 F96 Y139L10-V79 HydrophobicContact CD1-CB 4.12Å; L10-V79 HydrophobicContact CD1-CG1 3.96Å; L10-C84 HydrophobicContact CD2-CB 3.57Å; L10-F87 HydrophobicContact CD1-CD2 4.47Å; L10-F87 HydrophobicContact CD1-CE2 4.24Å; L10-F92 HydrophobicContact CB-CD1 3.66Å; L10-F92 HydrophobicContact CB-CD2 4.08Å; L10-F92 HydrophobicContact CB-CE1 3.75Å; L10-F92 HydrophobicContact CB-CE2 4.16Å; L10-F92 HydrophobicContact CB-CG 3.82Å; L10-F92 HydrophobicContact CB-CZ 4.01Å; L10-F92 HydrophobicContact CD1-CE1 4.33Å; L10-F92 HydrophobicContact CD1-CE2 4.44Å; L10-F92 HydrophobicContact CD1-CZ 4.01Å; L10-F92 HydrophobicContact CD2-CD2 4.21Å; L10-F92 HydrophobicContact CD2-CE2 4Å; L10-F92 HydrophobicContact CD2-CZ 4.38Å; L10-F92 HydrophobicContact CG-CE2 4.44Å; L10-F92 HydrophobicContact CG-CZ 4.36Å; L10-I94 PolarHBondContact N-O 2.77Å; L10-I94 VanDerWaalsContact N-O 3.08Å; L10-V95 HydrophobicContact CB-CB 4.41Å; L10-V95 HydrophobicContact CB-CG1 4.19Å; L10-V95 HydrophobicContact CB-CG2 4.1Å; L10-V95 HydrophobicContact CD2-CG1 3.86Å; L10-V95 HydrophobicContact CD2-CG2 4.23Å; L10-V95 HydrophobicContact CG-CG1 4.17Å; L10-F96 PolarHBondContact O-N 3.33Å; L10-Y139 HydrophobicContact CD2-CE2 3.99Å
11L98.9Very high92.9Very high0 Ų052.7 Ų52.70%026%0.26CS..EExtended strand (participates in β ladder)trans-107113.7164.8-55.6-177000107.5I9 K19 L22 G23 L26 I78 V79 Y81 F96 L98I9-L11 HydrophobicContact CG2-CD2 4Å; L11-K19 HydrophobicContact CB-CB 4.43Å; L11-K19 WeakPolarHBondContact O-CD 3.42Å; L11-L22 HydrophobicContact CD1-CB 4.4Å; L11-L22 HydrophobicContact CD1-CD2 4.29Å; L11-L22 HydrophobicContact CD1-CG 4.2Å; L11-L22 HydrophobicContact CD2-CD2 4.19Å; L11-G23 VanDerWaalsContact CD1-CA 3.43Å; L11-L26 HydrophobicContact CD1-CD1 4.36Å; L11-I78 HydrophobicContact CD1-CG2 3.75Å; L11-I78 HydrophobicContact CG-CG2 3.93Å; L11-V79 PolarHBondContact N-O 3.43Å; L11-Y81 PolarHBondContact O-N 3.36Å; L11-F96 HydrophobicContact CD2-CB 3.89Å; L11-F96 HydrophobicContact CD2-CD2 3.96Å; L11-F96 HydrophobicContact CD2-CG 4.38Å; L11-L98 HydrophobicContact CD2-CD1 4.42Å
12T98.9Very high95.1Very high0 Ų041.3 Ų41.30%021%0.205CC..EExtended strand (participates in β ladder)trans-127.3177.2177.7-165.80000111.8Y81 H82 V95 F96 V97 L98 I131 A135T12-Y81 VanDerWaalsContact CA-O 3.31Å; T12-Y81 WeakPolarHBondContact CA-O 3.12Å; T12-Y81 PolarHBondContact OG1-O 3.02Å; T12-H82 PolarHBondContact OG1-O 3.46Å; T12-H82 VanDerWaalsContact OG1-O 3.08Å; T12-V95 HydrophobicContact CG2-CG1 4.16Å; T12-F96 PolarHBondContact N-O 2.68Å; T12-V97 HydrophobicContact CG2-CB 4.33Å; T12-V97 HydrophobicContact CG2-CG1 4.37Å; T12-V97 HydrophobicContact CG2-CG2 3.79Å; T12-V97 WeakPolarHBondContact O-CA 3.38Å; T12-L98 PolarHBondContact O-N 2.73Å; T12-I131 HydrophobicContact CG2-CG2 4.04Å; T12-I131 VanDerWaalsContact OG1-CG2 3.23Å; T12-I131 WeakPolarHBondContact OG1-CG2 3.39Å; T12-A135 HydrophobicContact CG2-CB 4.37Å
13G98.5Very high96.9Very high1 Ų133.3 Ų33.31%0.0117%0.17CC..  trans130.4169.4-175.800000112.1K19G13-K19 PolarHBondContact O-NZ 2.73Å
14T98.4Very high97.8Very high2 Ų230.8 Ų30.81%0.01215%0.153CC..SBendtrans-55145.4-176.6-490000112.2G16 V17 K19 L105 N122 C125 E126T14-G16 PolarHBondContact O-N 3.39Å; T14-V17 VanDerWaalsContact O-CG1 3.29Å; T14-V17 WeakPolarHBondContact O-CG1 3.18Å; T14-V17 WeakPolarHBondContact O-CG2 2.95Å; T14-V17 PolarHBondContact O-N 3.45Å; T14-K19 PolarHBondContact O-NZ 3.35Å; T14-L105 HydrophobicContact CG2-CD2 4.05Å; T14-N122 HydrophobicContact CG2-CB 4.44Å; T14-N122 WeakPolarHBondContact CG2-O 3.42Å; T14-C125 HydrophobicContact CG2-CB 4.23Å; T14-E126 VanDerWaalsContact CB-OE2 3.25Å; T14-E126 WeakPolarHBondContact CB-OE2 3.31Å; T14-E126 HydrophobicContact CG2-CB 4.19Å; T14-E126 PolarHBondContact OG1-OE2 3.23Å
15P97.7Very high98.3Very high26 Ų2628.1 Ų28.117%0.16914%0.139CC..THydrogen-bonded Turntrans-50.8131.1170.1-29.837.7000111.9H82 L105 L109 N122P15-H82 HydrophobicContact CG-CB 4.18Å; P15-L105 WeakPolarHBondContact O-CD1 3.37Å; P15-L109 WeakPolarHBondContact O-CD2 3.34Å; P15-N122 WeakPolarHBondContact CB-OD1 3.34Å; P15-N122 WeakPolarHBondContact CD-OD1 3.37Å; P15-N122 WeakPolarHBondContact CG-OD1 3.37Å
16G97.4Very high98.5Very high5 Ų521.9 Ų21.95%0.05211%0.112CC..THydrogen-bonded Turntrans99.4-11.2-179.200000116.1T14 G18 R108T14-G16 PolarHBondContact O-N 3.39Å; G16-G18 VanDerWaalsContact C-N 3.32Å; G16-G18 PolarHBondContact O-N 3.09Å; G16-R108 WeakPolarHBondContact O-CD 3.48Å; G16-R108 PolarHBondContact O-NH1 2.89Å
17V98.4Very high98.6Very high0 Ų017.6 Ų17.60%010%0.099CC..SBendtrans-71.5-19.4-177.7-60.60000114.9T14 K19 L98 T100 L105 R108 S149T14-V17 VanDerWaalsContact O-CG1 3.29Å; T14-V17 WeakPolarHBondContact O-CG1 3.18Å; T14-V17 WeakPolarHBondContact O-CG2 2.95Å; T14-V17 PolarHBondContact O-N 3.45Å; V17-K19 HydrophobicContact CG2-CG 3.8Å; V17-L98 HydrophobicContact CB-CB 4.02Å; V17-L98 HydrophobicContact CG2-CB 3.49Å; V17-L98 VanDerWaalsContact CG2-CB 3.49Å; V17-L98 HydrophobicContact CG2-CD2 4.47Å; V17-T100 VanDerWaalsContact CA-OG1 3.32Å; V17-T100 WeakPolarHBondContact CA-OG1 3.46Å; V17-T100 WeakPolarHBondContact CB-OG1 3.2Å; V17-T100 PolarHBondContact O-OG1 3.17Å; V17-L105 HydrophobicContact CG1-CD1 4.1Å; V17-R108 PolarHBondContact O-NH1 3.24Å; V17-S149 VanDerWaalsContact O-CB 3.24Å; V17-S149 WeakPolarHBondContact O-CB 3.36Å; V17-S149 PolarHBondContact O-OG 3.41Å
18G98.2Very high98.5Very high13 Ų1325.2 Ų25.213%0.13414%0.135CC..SBendtrans118.28.1174.400000116.8G16 T20 T21 L22G16-G18 VanDerWaalsContact C-N 3.32Å; G16-G18 PolarHBondContact O-N 3.09Å; G18-T20 PolarHBondContact O-N 3.02Å; G18-T21 WeakPolarHBondContact O-CB 3.33Å; G18-T21 PolarHBondContact O-N 3.48Å; G18-T21 VanDerWaalsContact O-N 3.1Å; G18-L22 PolarHBondContact O-N 2.98Å
19K98.7Very high98.5Very high16 Ų1631.7 Ų31.77%0.0716%0.159CC..Hα-helixtrans-46.8-55.7-178.3-56-175.1-67.2-81.50113.9L11 G13 T14 V17 T21 L22 G23 D80 Y81 L98L11-K19 HydrophobicContact CB-CB 4.43Å; L11-K19 WeakPolarHBondContact O-CD 3.42Å; G13-K19 PolarHBondContact O-NZ 2.73Å; T14-K19 PolarHBondContact O-NZ 3.35Å; V17-K19 HydrophobicContact CG2-CG 3.8Å; K19-T21 VanDerWaalsContact C-N 3.3Å; K19-T21 PolarHBondContact O-N 3.39Å; K19-L22 PolarHBondContact O-N 3.22Å; K19-G23 PolarHBondContact O-N 3.5Å; K19-D80 WeakPolarHBondContact CB-OD1 3.41Å; K19-D80 WeakPolarHBondContact CD-OD1 3.39Å; K19-D80 WeakPolarHBondContact CE-OD1 3.3Å; K19-Y81 VanDerWaalsContact CD-O 3.24Å; K19-Y81 WeakPolarHBondContact CD-O 3.31Å; K19-Y81 VanDerWaalsContact CE-O 3.23Å; K19-Y81 WeakPolarHBondContact CE-O 3.23Å; K19-L98 HydrophobicContact CG-CD2 4.43Å
20T98.6Very high98.5Very high48 Ų4833.2 Ų33.229%0.29417%0.168SC..Hα-helixtrans-58.4-40.2-179.2-50.50000112.8G18 K24 Y34 D80G18-T20 PolarHBondContact O-N 3.02Å; T20-K24 HydrophobicContact CG2-CD 4.12Å; T20-K24 WeakPolarHBondContact O-CB 3.28Å; T20-K24 VanDerWaalsContact O-CG 3.31Å; T20-K24 WeakPolarHBondContact O-CG 3.34Å; T20-K24 PolarHBondContact O-N 3.38Å; T20-K24 VanDerWaalsContact O-N 3.13Å; T20-Y34 WeakPolarHBondContact CA-OH 3.38Å; T20-Y34 WeakPolarHBondContact CG2-OH 3.31Å; T20-D80 WeakPolarHBondContact CA-OD2 3.31Å; T20-D80 WeakPolarHBondContact CB-OD2 3.27Å; T20-D80 PolarHBondContact N-OD2 2.95Å; T20-D80 PolarHBondContact OG1-OD2 3.48Å
21T98.5Very high98.4Very high74 Ų7435.6 Ų35.645%0.45419%0.193SC..Hα-helixtrans-65.5-50.6178.3-56.20000110.2G18 K19 E25 L155G18-T21 WeakPolarHBondContact O-CB 3.33Å; G18-T21 PolarHBondContact O-N 3.48Å; G18-T21 VanDerWaalsContact O-N 3.1Å; K19-T21 VanDerWaalsContact C-N 3.3Å; K19-T21 PolarHBondContact O-N 3.39Å; T21-E25 PolarHBondContact O-N 3.21Å; T21-L155 HydrophobicContact CG2-CD1 4.48Å; T21-L155 HydrophobicContact CG2-CD2 3.88Å
22L98.8Very high98.4Very high1 Ų136.1 Ų36.11%0.00520%0.195CC..Hα-helixtrans-61.8-48.1179177.863.5000111.6L11 G18 K19 K24 E25 L26 L98 L147 L155 N158 L159L11-L22 HydrophobicContact CD1-CB 4.4Å; L11-L22 HydrophobicContact CD1-CD2 4.29Å; L11-L22 HydrophobicContact CD1-CG 4.2Å; L11-L22 HydrophobicContact CD2-CD2 4.19Å; G18-L22 PolarHBondContact O-N 2.98Å; K19-L22 PolarHBondContact O-N 3.22Å; L22-K24 PolarHBondContact O-N 2.93Å; L22-E25 PolarHBondContact O-N 3.3Å; L22-L26 HydrophobicContact CD1-CD1 4.02Å; L22-L26 HydrophobicContact CD1-CG 4.07Å; L22-L26 HydrophobicContact CD2-CD1 4.48Å; L22-L26 HydrophobicContact CG-CD1 3.84Å; L22-L26 HydrophobicContact CG-CG 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 3.38Å; L22-L98 HydrophobicContact CB-CD2 4.39Å; L22-L98 HydrophobicContact CD2-CD1 4Å; L22-L98 HydrophobicContact CD2-CD2 3.98Å; L22-L98 HydrophobicContact CD2-CG 4.33Å; L22-L147 HydrophobicContact CD2-CD1 4.13Å; L22-L155 HydrophobicContact CB-CD1 4.13Å; L22-L155 HydrophobicContact CD1-CD1 3.87Å; L22-N158 HydrophobicContact CD1-CB 4.07Å; L22-N158 HydrophobicContact CD2-CB 4.44Å; L22-L159 HydrophobicContact CD1-CD2 3.7Å; L22-L159 HydrophobicContact CD1-CG 3.82Å
23G98.8Very high98.4Very high0 Ų039.6 Ų39.60%022%0.217CC..Hα-helixtrans-63.7-41.3-176.600000113.6L11 K19 L26 A27L11-G23 VanDerWaalsContact CD1-CA 3.43Å; K19-G23 PolarHBondContact O-N 3.5Å; G23-L26 PolarHBondContact O-N 3.46Å; G23-A27 WeakPolarHBondContact O-CB 3.36Å; G23-A27 PolarHBondContact O-N 3.06Å
24K98.7Very high98.4Very high99 Ų9941.6 Ų41.643%0.4322%0.224SC..Hα-helixtrans-65.3-43.2176-74-180179.1179.50112T20 L22 A27 Q28 Y34T20-K24 HydrophobicContact CG2-CD 4.12Å; T20-K24 WeakPolarHBondContact O-CB 3.28Å; T20-K24 VanDerWaalsContact O-CG 3.31Å; T20-K24 WeakPolarHBondContact O-CG 3.34Å; T20-K24 PolarHBondContact O-N 3.38Å; T20-K24 VanDerWaalsContact O-N 3.13Å; L22-K24 PolarHBondContact O-N 2.93Å; K24-A27 PolarHBondContact O-N 2.99Å; K24-Q28 WeakPolarHBondContact O-CG 3.49Å; K24-Q28 PolarHBondContact O-N 3.07Å; K24-Q28 VanDerWaalsContact O-N 3.11Å; K24-Y34 HydrophobicContact CD-CE1 4.45Å; K24-Y34 HydrophobicContact CG-CD1 3.96Å; K24-Y34 HydrophobicContact CG-CE1 3.79Å; K24-Y34 HydrophobicContact CG-CE2 4.36Å; K24-Y34 HydrophobicContact CG-CG 4.31Å
25E98.6Very high98.4Very high63 Ų6342.2 Ų42.229%0.29423%0.228SC..Hα-helixtrans-65-42.7176.2-80.2-122.3-167.400112.2T21 L22 A27 Q28 R29 L159T21-E25 PolarHBondContact O-N 3.21Å; L22-E25 PolarHBondContact O-N 3.3Å; E25-A27 PolarHBondContact O-N 2.89Å; E25-Q28 PolarHBondContact O-N 3.2Å; E25-R29 WeakPolarHBondContact O-CG 3.25Å; E25-R29 PolarHBondContact O-N 3.04Å; E25-R29 IonicContact OE2-CZ 2.85Å; E25-R29 IonicContact OE2-NE 2.66Å; E25-R29 PolarHBondContact OE2-NE 2.93Å; E25-R29 IonicContact OE2-NH2 3.31Å; E25-R29 PolarHBondContact OE2-NH2 3.18Å; E25-L159 HydrophobicContact CB-CD1 4.08Å; E25-L159 HydrophobicContact CB-CD2 3.56Å; E25-L159 HydrophobicContact CB-CG 4.46Å; E25-L159 HydrophobicContact CG-CD1 4.46Å; E25-L159 WeakPolarHBondContact OE2-CD1 3.46Å
26L98.7Very high98.5Very high0 Ų042.2 Ų42.20%023%0.227CC..Hα-helixtrans-59-46.5175.4-76.3172.7000111.5L11 L22 G23 Q28 R29 T30 I78 L159 V162 V163L11-L26 HydrophobicContact CD1-CD1 4.36Å; L22-L26 HydrophobicContact CD1-CD1 4.02Å; L22-L26 HydrophobicContact CD1-CG 4.07Å; L22-L26 HydrophobicContact CD2-CD1 4.48Å; L22-L26 HydrophobicContact CG-CD1 3.84Å; L22-L26 HydrophobicContact CG-CG 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 3.38Å; G23-L26 PolarHBondContact O-N 3.46Å; L26-Q28 VanDerWaalsContact C-N 3.32Å; L26-Q28 PolarHBondContact O-N 3.32Å; L26-R29 PolarHBondContact O-N 3.21Å; L26-T30 WeakPolarHBondContact O-CB 3.27Å; L26-T30 VanDerWaalsContact O-CG2 3.29Å; L26-T30 WeakPolarHBondContact O-CG2 3.47Å; L26-T30 PolarHBondContact O-N 3.44Å; L26-T30 PolarHBondContact O-OG1 3.31Å; L26-I78 HydrophobicContact CB-CD1 3.57Å; L26-L159 HydrophobicContact CD2-CD2 3.75Å; L26-L159 HydrophobicContact CG-CD2 3.78Å; L26-V162 HydrophobicContact CD1-CB 4.22Å; L26-V162 HydrophobicContact CD1-CG1 3.69Å; L26-V162 HydrophobicContact CD2-CB 3.8Å; L26-V162 HydrophobicContact CD2-CG1 3.73Å; L26-V162 HydrophobicContact CG-CG1 4.38Å; L26-V163 HydrophobicContact CD2-CG2 4Å
27A98.6Very high98.5Very high16 Ų1642 Ų4213%0.13222%0.224CC..Hα-helixtrans-60.1-41.6177.500000112.3G23 K24 E25 R29 G31 L32 I78G23-A27 WeakPolarHBondContact O-CB 3.36Å; G23-A27 PolarHBondContact O-N 3.06Å; K24-A27 PolarHBondContact O-N 2.99Å; E25-A27 PolarHBondContact O-N 2.89Å; A27-R29 PolarHBondContact O-N 2.87Å; A27-G31 VanDerWaalsContact O-CA 3.31Å; A27-G31 WeakPolarHBondContact O-CA 3.25Å; A27-G31 PolarHBondContact O-N 2.97Å; A27-L32 VanDerWaalsContact CB-O 3.3Å; A27-L32 WeakPolarHBondContact CB-O 2.99Å; A27-I78 HydrophobicContact CB-CD1 4.33Å
28Q98.4Very high98.4Very high161 Ų16143.3 Ų43.375%0.75224%0.238SC*.Hα-helixtrans-62.3-40.7175.7-72.2178.39.200112.7K24 E25 L26K24-Q28 WeakPolarHBondContact O-CG 3.49Å; K24-Q28 PolarHBondContact O-N 3.07Å; K24-Q28 VanDerWaalsContact O-N 3.11Å; E25-Q28 PolarHBondContact O-N 3.2Å; L26-Q28 VanDerWaalsContact C-N 3.32Å; L26-Q28 PolarHBondContact O-N 3.32Å
29R98.2Very high98.3Very high141 Ų14146.2 Ų46.253%0.53225%0.25SS..Hα-helixtrans-77.2-32.2-177.5-67.4177.4-170.4-1341.7113.4E25 L26 A27 V163E25-R29 WeakPolarHBondContact O-CG 3.25Å; E25-R29 PolarHBondContact O-N 3.04Å; E25-R29 IonicContact OE2-CZ 2.85Å; E25-R29 IonicContact OE2-NE 2.66Å; E25-R29 PolarHBondContact OE2-NE 2.93Å; E25-R29 IonicContact OE2-NH2 3.31Å; E25-R29 PolarHBondContact OE2-NH2 3.18Å; L26-R29 PolarHBondContact O-N 3.21Å; A27-R29 PolarHBondContact O-N 2.87Å; R29-V163 HydrophobicContact CB-CG2 4.33Å
30T97.9Very high98.3Very high32 Ų3247 Ų4720%0.19626%0.255CS..Hα-helixtrans-107-19.2-169.462.40000113.3L26 L32 V163 I166L26-T30 WeakPolarHBondContact O-CB 3.27Å; L26-T30 VanDerWaalsContact O-CG2 3.29Å; L26-T30 WeakPolarHBondContact O-CG2 3.47Å; L26-T30 PolarHBondContact O-N 3.44Å; L26-T30 PolarHBondContact O-OG1 3.31Å; T30-L32 PolarHBondContact O-N 2.94Å; T30-L32 WeakPolarHBondContact OG1-CG 3.39Å; T30-L32 PolarHBondContact OG1-N 2.92Å; T30-V163 HydrophobicContact CG2-CG2 3.87Å; T30-I166 HydrophobicContact CG2-CD1 3.59Å
31G97.9Very high98.2Very high49 Ų4944.8 Ų44.851%0.50524%0.241SC..  trans68.818.8-171.600000113.8R6 A27R6-G31 PolarHBondContact NH1-O 3.43Å; A27-G31 VanDerWaalsContact O-CA 3.31Å; A27-G31 WeakPolarHBondContact O-CA 3.25Å; A27-G31 PolarHBondContact O-N 2.97Å
32L98.4Very high98Very high11 Ų1147.9 Ų47.96%0.05825%0.251CS..PPolyproline II helixtrans-73156.5166.1-62.6-168.3000110.6R6 I9 A27 T30 G76 I78 I166R6-L32 HydrophobicContact CB-CD2 4.09Å; R6-L32 HydrophobicContact CG-CD2 4.4Å; I9-L32 HydrophobicContact CD1-CD1 4.2Å; A27-L32 VanDerWaalsContact CB-O 3.3Å; A27-L32 WeakPolarHBondContact CB-O 2.99Å; T30-L32 PolarHBondContact O-N 2.94Å; T30-L32 WeakPolarHBondContact OG1-CG 3.39Å; T30-L32 PolarHBondContact OG1-N 2.92Å; L32-G76 WeakPolarHBondContact CA-O 3.43Å; L32-G76 WeakPolarHBondContact CB-O 3.44Å; L32-I78 HydrophobicContact CB-CD1 3.88Å; L32-I78 HydrophobicContact CB-CG1 3.96Å; L32-I78 HydrophobicContact CD1-CD1 4.15Å; L32-I78 HydrophobicContact CD1-CG1 3.92Å; L32-I166 HydrophobicContact CD1-CD1 3.89Å; L32-I166 HydrophobicContact CD1-CG1 4.4Å
33T98.6Very high97.9Very high73 Ų7355.8 Ų55.845%0.44829%0.287SS..EExtended strand (participates in β ladder)trans-82.7121.9177.2-59.70000109.5V35 K71 G76 V77 I78T33-V35 HydrophobicContact CG2-CG2 4.35Å; T33-K71 HydrophobicContact CG2-CD 4.35Å; T33-G76 PolarHBondContact N-O 3.44Å; T33-V77 CarbonylContact O-C 3.51Å; T33-V77 WeakPolarHBondContact O-CA 3.32Å; T33-I78 PolarHBondContact O-N 3.01Å
34Y98.8Very high97.6Very high44 Ų4457.4 Ų57.417%0.17330%0.304CS..EExtended strand (participates in β ladder)trans-89.2134.9172.7170.9-95000111T20 K24 N36 I78 D80T20-Y34 WeakPolarHBondContact CA-OH 3.38Å; T20-Y34 WeakPolarHBondContact CG2-OH 3.31Å; K24-Y34 HydrophobicContact CD-CE1 4.45Å; K24-Y34 HydrophobicContact CG-CD1 3.96Å; K24-Y34 HydrophobicContact CG-CE1 3.79Å; K24-Y34 HydrophobicContact CG-CE2 4.36Å; K24-Y34 HydrophobicContact CG-CG 4.31Å; Y34-N36 HydrophobicContact CE1-CB 3.92Å; Y34-N36 PolarHBondContact OH-ND2 3.21Å; Y34-I78 WeakPolarHBondContact CA-O 3.5Å; Y34-I78 HydrophobicContact CD2-CG2 4.34Å; Y34-D80 HydrophobicContact CE2-CB 3.72Å; Y34-D80 PolarHBondContact OH-OD2 2.81Å
35V98.7Very high97.5Very high14 Ų1460 Ų609%0.08532%0.318CS..EExtended strand (participates in β ladder)trans-128.6121.7174.8176.40000108.7T33 L40 L68 K71 V77 I78 D80T33-V35 HydrophobicContact CG2-CG2 4.35Å; V35-L40 HydrophobicContact CG1-CD2 4.36Å; V35-L68 HydrophobicContact CG1-CD2 3.97Å; V35-L68 HydrophobicContact CG2-CD2 4.42Å; V35-K71 HydrophobicContact CG2-CD 4.02Å; V35-V77 HydrophobicContact CB-CG1 4.38Å; V35-V77 HydrophobicContact CG2-CG1 3.79Å; V35-I78 PolarHBondContact N-O 3.37Å; V35-D80 PolarHBondContact O-N 2.93Å
36N98.6Very high97.4Very high27 Ų2757.2 Ų57.214%0.14431%0.305CS..EExtended strand (participates in β ladder)trans-93.8120.6162.9-174.8-74.7000108.4Y34 G38 D39 L40 D80Y34-N36 HydrophobicContact CE1-CB 3.92Å; Y34-N36 PolarHBondContact OH-ND2 3.21Å; N36-G38 VanDerWaalsContact C-N 3.32Å; N36-G38 PolarHBondContact O-N 2.79Å; N36-G38 WeakPolarHBondContact OD1-CA 3.49Å; N36-G38 PolarHBondContact OD1-N 3Å; N36-D39 HydrophobicContact CB-CB 4.04Å; N36-D39 WeakPolarHBondContact CB-OD2 3.43Å; N36-D39 PolarHBondContact O-N 2.84Å; N36-D39 PolarHBondContact OD1-N 3.05Å; N36-L40 WeakPolarHBondContact O-CB 3.24Å; N36-L40 PolarHBondContact O-N 2.93Å; N36-D80 PolarHBondContact ND2-OD2 2.98Å
37V98.3Very high97.2Very high0 Ų060.6 Ų60.60%032%0.32CS..Hα-helixtrans-71-30.4-174.1172.10000111.9A41 L59 V64 L68 V79 D80 Y81 F87V37-A41 VanDerWaalsContact O-CB 3.32Å; V37-A41 WeakPolarHBondContact O-CB 3.33Å; V37-A41 PolarHBondContact O-N 2.82Å; V37-L59 HydrophobicContact CG1-CD2 4.32Å; V37-V64 HydrophobicContact CG1-CG1 3.71Å; V37-V64 HydrophobicContact CG1-CG2 4.46Å; V37-L68 HydrophobicContact CG2-CD1 4.31Å; V37-V79 HydrophobicContact CG2-CG1 3.6Å; V37-D80 PolarHBondContact N-O 2.78Å; V37-Y81 HydrophobicContact CB-CD2 3.52Å; V37-Y81 HydrophobicContact CB-CE2 4.25Å; V37-Y81 HydrophobicContact CB-CG 3.79Å; V37-Y81 HydrophobicContact CG1-CD1 4.42Å; V37-Y81 HydrophobicContact CG1-CD2 3.69Å; V37-Y81 HydrophobicContact CG1-CE2 3.99Å; V37-Y81 HydrophobicContact CG1-CG 3.91Å; V37-Y81 HydrophobicContact CG2-CG 4.4Å; V37-F87 HydrophobicContact CG1-CZ 4.46Å; V37-F87 HydrophobicContact CG2-CE1 4.48Å; V37-F87 HydrophobicContact CG2-CZ 3.97Å
38G96.4Very high97Very high28 Ų2865.6 Ų65.629%0.28935%0.345SS..Hα-helixtrans-65.3-45.6173.600000112.2N36 A41 Q42N36-G38 VanDerWaalsContact C-N 3.32Å; N36-G38 PolarHBondContact O-N 2.79Å; N36-G38 WeakPolarHBondContact OD1-CA 3.49Å; N36-G38 PolarHBondContact OD1-N 3Å; G38-A41 PolarHBondContact O-N 3.14Å; G38-Q42 WeakPolarHBondContact O-CB 3.32Å; G38-Q42 PolarHBondContact O-N 3.47Å
39D97.1Very high96.7Very high74 Ų7460.3 Ų60.340%0.39633%0.333SS..Hα-helixtrans-64.2-44.6176.1-63.7-21.3000110.7N36 A41 Q42 E43N36-D39 HydrophobicContact CB-CB 4.04Å; N36-D39 WeakPolarHBondContact CB-OD2 3.43Å; N36-D39 PolarHBondContact O-N 2.84Å; N36-D39 PolarHBondContact OD1-N 3.05Å; D39-A41 PolarHBondContact O-N 3.28Å; D39-Q42 PolarHBondContact O-N 3.43Å; D39-E43 WeakPolarHBondContact O-CG 3.46Å; D39-E43 PolarHBondContact O-N 2.99Å
40L97.4Very high96.5Very high33 Ų3358.9 Ų58.917%0.17333%0.331CS..Hα-helixtrans-56.5-48175.8-179.474.8000111.7V35 N36 Q42 E43 G44 L46 E67 L68V35-L40 HydrophobicContact CG1-CD2 4.36Å; N36-L40 WeakPolarHBondContact O-CB 3.24Å; N36-L40 PolarHBondContact O-N 2.93Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 3.45Å; L40-E43 PolarHBondContact O-N 3.16Å; L40-G44 PolarHBondContact O-N 3.11Å; L40-L46 HydrophobicContact CG-CD1 4.32Å; L40-E67 HydrophobicContact CD1-CG 4.15Å; L40-E67 HydrophobicContact CD2-CG 4.31Å; L40-E67 HydrophobicContact CG-CG 4.46Å; L40-L68 HydrophobicContact CD2-CD1 3.88Å; L40-L68 HydrophobicContact CD2-CD2 3.74Å; L40-L68 HydrophobicContact CD2-CG 3.66Å
41A96.3Very high96.1Very high0 Ų059.8 Ų59.80%034%0.335CS..Hα-helixtrans-64.5-37.7179.300000112.2V37 G38 D39 Q45 L46 F47 L59V37-A41 VanDerWaalsContact O-CB 3.32Å; V37-A41 WeakPolarHBondContact O-CB 3.33Å; V37-A41 PolarHBondContact O-N 2.82Å; G38-A41 PolarHBondContact O-N 3.14Å; D39-A41 PolarHBondContact O-N 3.28Å; A41-Q45 CarbonylContact O-C 3.52Å; A41-Q45 WeakPolarHBondContact O-CA 3.3Å; A41-Q45 PolarHBondContact O-N 2.95Å; A41-L46 HydrophobicContact CB-CB 4.06Å; A41-L46 PolarHBondContact O-N 3.2Å; A41-F47 HydrophobicContact CB-CE1 3.83Å; A41-F47 HydrophobicContact CB-CZ 3.9Å; A41-F47 WeakPolarHBondContact O-CE2 3.3Å; A41-L59 HydrophobicContact CB-CD1 3.29Å
42Q95.1Very high95.7Very high139 Ų13965.2 Ų65.265%0.6535%0.347SS*.Hα-helixtrans-65-45.4175.6-173.9174-10.500112.2G38 D39 L40 F47G38-Q42 WeakPolarHBondContact O-CB 3.32Å; G38-Q42 PolarHBondContact O-N 3.47Å; D39-Q42 PolarHBondContact O-N 3.43Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 3.45Å; Q42-F47 HydrophobicContact CB-CZ 4.35Å
43E95.6Very high95.1Very high167 Ų16770.4 Ų70.478%0.7837%0.371SS*.Hα-helixtrans-68.4-41.4179.4-71177.8-178.500112.2D39 L40D39-E43 WeakPolarHBondContact O-CG 3.46Å; D39-E43 PolarHBondContact O-N 2.99Å; L40-E43 PolarHBondContact O-N 3.16Å
44G93.6Very high94.3Very high34 Ų3471.2 Ų71.235%0.35137%0.366SS..Hα-helixtrans-85.3-3.6-179.600000115.2L40 L46L40-G44 PolarHBondContact O-N 3.11Å; G44-L46 VanDerWaalsContact C-N 3.28Å; G44-L46 WeakPolarHBondContact O-CD2 3.37Å; G44-L46 PolarHBondContact O-N 3.45Å
45Q95.7Very high93.7Very high153 Ų15375.6 Ų75.672%0.71539%0.388SS*.THydrogen-bonded Turntrans51.548.5-171.9-56-177.4-37.700111.6A41 F47 R63A41-Q45 CarbonylContact O-C 3.52Å; A41-Q45 WeakPolarHBondContact O-CA 3.3Å; A41-Q45 PolarHBondContact O-N 2.95Å; Q45-F47 VanDerWaalsContact C-N 3.28Å; Q45-F47 PolarHBondContact O-N 3.06Å; Q45-R63 PolarHBondContact O-NH1 2.99Å
46L96.3Very high93.2Very high5 Ų577.3 Ų77.33%0.02640%0.4CS..  trans-90.961.3-177.4-46.3-179.4000109.9L40 A41 G44 D60 R63 V64 E67L40-L46 HydrophobicContact CG-CD1 4.32Å; A41-L46 HydrophobicContact CB-CB 4.06Å; A41-L46 PolarHBondContact O-N 3.2Å; G44-L46 VanDerWaalsContact C-N 3.28Å; G44-L46 WeakPolarHBondContact O-CD2 3.37Å; G44-L46 PolarHBondContact O-N 3.45Å; L46-D60 PolarHBondContact O-N 3.49Å; L46-R63 HydrophobicContact CD2-CB 4.19Å; L46-V64 HydrophobicContact CB-CG2 4.07Å; L46-V64 HydrophobicContact CD1-CG2 3.83Å; L46-E67 HydrophobicContact CD1-CB 4.18Å; L46-E67 HydrophobicContact CD1-CG 4.32Å
47F95.9Very high92.8Very high72 Ų7279 Ų7932%0.31641%0.413SS..EExtended strand (participates in β ladder)trans-129.7141.2179.2-54.8-68.3000110.2A41 Q42 Q45 P57 V58 L59A41-F47 HydrophobicContact CB-CE1 3.83Å; A41-F47 HydrophobicContact CB-CZ 3.9Å; A41-F47 WeakPolarHBondContact O-CE2 3.3Å; Q42-F47 HydrophobicContact CB-CZ 4.35Å; Q45-F47 VanDerWaalsContact C-N 3.28Å; Q45-F47 PolarHBondContact O-N 3.06Å; F47-P57 HydrophobicContact CB-CB 3.83Å; F47-P57 HydrophobicContact CD1-CB 3.51Å; F47-P57 HydrophobicContact CD2-CB 4.03Å; F47-P57 HydrophobicContact CE1-CB 4.02Å; F47-P57 HydrophobicContact CE2-CB 4.48Å; F47-P57 HydrophobicContact CG-CB 3.51Å; F47-P57 HydrophobicContact CG-CG 4.43Å; F47-P57 HydrophobicContact CZ-CB 4.48Å; F47-V58 CarbonylContact C-O 3.59Å; F47-V58 WeakPolarHBondContact CA-O 3.15Å; F47-V58 VanDerWaalsContact CB-O 3.3Å; F47-V58 WeakPolarHBondContact CB-O 3.43Å; F47-L59 HydrophobicContact CD1-CD1 4.49Å; F47-L59 HydrophobicContact CE1-CD1 4.32Å
48D93.6Very high92.6Very high121 Ų12182 Ų8265%0.64743%0.431SS*.EExtended strand (participates in β ladder)trans-128.6100.3172.1-172.218.3000110.2V58 D60D48-V58 PolarHBondContact N-O 2.95Å; D48-V58 WeakPolarHBondContact O-CB 3.29Å; D48-D60 HydrophobicContact CB-CB 4.15Å
49G92.9Very high92.6Very high50 Ų5081.8 Ų81.852%0.51542%0.423SS..EExtended strand (participates in β ladder)trans92.2-174.4-17800000114.7V58G49-V58 PolarHBondContact O-N 2.91Å
50F93.3Very high92.6Very high110 Ų11079.7 Ų79.748%0.48241%0.412SS..EExtended strand (participates in β ladder)trans-143.5130.9-176.2-172.2-92.9000109.7E52 Q55F50-E52 PolarHBondContact O-N 2.98Å; F50-Q55 HydrophobicContact CZ-CB 4.31Å
51D89.2Confident92.6Very high51 Ų5182.3 Ų82.327%0.27342%0.423SS..EExtended strand (participates in β ladder)trans-84.9109175.9-170.2-52000109.3E53 Y54 Q55 C56 V58D51-E53 VanDerWaalsContact C-N 3.29Å; D51-E53 PolarHBondContact O-N 2.94Å; D51-E53 WeakPolarHBondContact OD1-CA 3.22Å; D51-E53 WeakPolarHBondContact OD1-CB 3.33Å; D51-E53 PolarHBondContact OD1-N 3.41Å; D51-Y54 PolarHBondContact OD1-N 3.19Å; D51-Q55 WeakPolarHBondContact O-CA 3.5Å; D51-Q55 PolarHBondContact O-N 3Å; D51-C56 WeakPolarHBondContact CB-O 3.23Å; D51-C56 PolarHBondContact N-O 2.85Å; D51-C56 PolarHBondContact O-N 2.9Å; D51-V58 HydrophobicContact CB-CG2 4.02Å
52E89.4Confident92.6Very high164 Ų16488.5 Ų88.577%0.76646%0.456SS*.THydrogen-bonded Turntrans-69.9-24.6179.2-65.9-169.1170.300113.1F50 Q55F50-E52 PolarHBondContact O-N 2.98Å; E52-Q55 PolarHBondContact O-NE2 2.96Å
53E86.4Confident92.8Very high120 Ų12086.9 Ų86.956%0.56144%0.444SS*.THydrogen-bonded Turntrans-77.1-44.3-178.7-179171.8164.400111.2D51 K117D51-E53 VanDerWaalsContact C-N 3.29Å; D51-E53 PolarHBondContact O-N 2.94Å; D51-E53 WeakPolarHBondContact OD1-CA 3.22Å; D51-E53 WeakPolarHBondContact OD1-CB 3.33Å; D51-E53 PolarHBondContact OD1-N 3.41Å; E53-K117 WeakPolarHBondContact OE1-CE 3.29Å; E53-K117 IonicContact OE1-NZ 2.51Å; E53-K117 PolarHBondContact OE1-NZ 3.13Å
54Y82.6Confident92.9Very high90 Ų9078.9 Ų78.935%0.35341%0.407SS..THydrogen-bonded Turntrans-96.1-6.1-179.3-68.7-70.1000114.1D51 C56 D121D51-Y54 PolarHBondContact OD1-N 3.19Å; Y54-C56 VanDerWaalsContact C-N 3.32Å; Y54-C56 PolarHBondContact O-N 2.77Å; Y54-D121 HydrophobicContact CE1-CB 4.5Å; Y54-D121 WeakPolarHBondContact CE1-OD2 3.45Å; Y54-D121 PolarHBondContact OH-OD2 3.11Å
55Q86Confident93.1Very high135 Ų13578.3 Ų78.363%0.63140%0.397SS*.THydrogen-bonded Turntrans54.846179.2-63.6-74.1-60.300112F50 D51 E52F50-Q55 HydrophobicContact CZ-CB 4.31Å; D51-Q55 WeakPolarHBondContact O-CA 3.5Å; D51-Q55 PolarHBondContact O-N 3Å; E52-Q55 PolarHBondContact O-NE2 2.96Å
56C86.9Confident93.2Very high50 Ų5077 Ų7734%0.33840%0.395SS..EExtended strand (participates in β ladder)trans-139.4153.5179.562.30000112.3D51 Y54D51-C56 WeakPolarHBondContact CB-O 3.23Å; D51-C56 PolarHBondContact N-O 2.85Å; D51-C56 PolarHBondContact O-N 2.9Å; Y54-C56 VanDerWaalsContact C-N 3.32Å; Y54-C56 PolarHBondContact O-N 2.77Å
57P91.4Very high93.3Very high63 Ų6382.4 Ų82.441%0.40942%0.42SS..EExtended strand (participates in β ladder)trans-58.8144168.6-21.333.9000111.3F47F47-P57 HydrophobicContact CB-CB 3.83Å; F47-P57 HydrophobicContact CD1-CB 3.51Å; F47-P57 HydrophobicContact CD2-CB 4.03Å; F47-P57 HydrophobicContact CE1-CB 4.02Å; F47-P57 HydrophobicContact CE2-CB 4.48Å; F47-P57 HydrophobicContact CG-CB 3.51Å; F47-P57 HydrophobicContact CG-CG 4.43Å; F47-P57 HydrophobicContact CZ-CB 4.48Å
58V93.9Very high93.4Very high63 Ų6379 Ų7938%0.38241%0.405SS..EExtended strand (participates in β ladder)trans-85.6132.5172.4176.60000108.1F47 D48 G49 D51F47-V58 CarbonylContact C-O 3.59Å; F47-V58 WeakPolarHBondContact CA-O 3.15Å; F47-V58 VanDerWaalsContact CB-O 3.3Å; F47-V58 WeakPolarHBondContact CB-O 3.43Å; D48-V58 PolarHBondContact N-O 2.95Å; D48-V58 WeakPolarHBondContact O-CB 3.29Å; G49-V58 PolarHBondContact O-N 2.91Å; D51-V58 HydrophobicContact CB-CG2 4.02Å
59L96.2Very high93.6Very high23 Ų2375.9 Ų75.912%0.1239%0.386CS..EExtended strand (participates in β ladder)trans-65.2133.5180-170.471.9000110.1V37 A41 F47 E61 V64 Y81 F86V37-L59 HydrophobicContact CG1-CD2 4.32Å; A41-L59 HydrophobicContact CB-CD1 3.29Å; F47-L59 HydrophobicContact CD1-CD1 4.49Å; F47-L59 HydrophobicContact CE1-CD1 4.32Å; L59-E61 HydrophobicContact CD2-CG 4.26Å; L59-E61 PolarHBondContact O-N 2.97Å; L59-V64 HydrophobicContact CD1-CG2 3.76Å; L59-V64 HydrophobicContact CD2-CG2 4.1Å; L59-V64 HydrophobicContact CG-CG2 3.98Å; L59-Y81 HydrophobicContact CD2-CE1 3.9Å; L59-Y81 HydrophobicContact CD2-CE2 4.33Å; L59-Y81 VanDerWaalsContact CD2-OH 3.3Å; L59-Y81 WeakPolarHBondContact CD2-OH 3.3Å; L59-F86 HydrophobicContact CD2-CE1 4.48Å; L59-F86 HydrophobicContact CD2-CE2 4.48Å; L59-F86 HydrophobicContact CD2-CZ 3.94Å
60D97.3Very high93.8Very high30 Ų3080.1 Ų80.116%0.1640%0.397CS..  trans-85.792.2167.3-170.7-36.8000108.5L46 D48 R63 V64L46-D60 PolarHBondContact O-N 3.49Å; D48-D60 HydrophobicContact CB-CB 4.15Å; D60-R63 HydrophobicContact CB-CB 4.17Å; D60-R63 HydrophobicContact CB-CG 4.43Å; D60-R63 VanDerWaalsContact CG-CD 3.45Å; D60-R63 PolarHBondContact O-N 2.66Å; D60-R63 WeakPolarHBondContact OD1-CB 3.5Å; D60-R63 WeakPolarHBondContact OD1-CG 3.31Å; D60-R63 PolarHBondContact OD1-N 3.08Å; D60-R63 WeakPolarHBondContact OD2-CD 3.26Å; D60-R63 WeakPolarHBondContact OD2-CG 3.48Å; D60-V64 WeakPolarHBondContact O-CG2 3.41Å; D60-V64 PolarHBondContact O-N 2.89Å
61E96.9Very high93.9Very high88 Ų8879.1 Ų79.141%0.41139%0.392SS..Hα-helixtrans-61.4-42.7-173.9-69.6174.4-178.500112.4L59 R63 V64 V65 F86L59-E61 HydrophobicContact CD2-CG 4.26Å; L59-E61 PolarHBondContact O-N 2.97Å; E61-R63 PolarHBondContact O-N 2.96Å; E61-V64 WeakPolarHBondContact O-CB 3.45Å; E61-V64 PolarHBondContact O-N 3.38Å; E61-V65 WeakPolarHBondContact O-CG2 3.48Å; E61-V65 PolarHBondContact O-N 3.23Å; E61-F86 HydrophobicContact CB-CB 4.06Å; E61-F86 HydrophobicContact CB-CD2 3.71Å; E61-F86 HydrophobicContact CB-CE2 4.28Å; E61-F86 HydrophobicContact CB-CG 3.88Å; E61-F86 HydrophobicContact CG-CB 4.16Å; E61-F86 HydrophobicContact CG-CD1 3.95Å; E61-F86 HydrophobicContact CG-CD2 3.91Å; E61-F86 HydrophobicContact CG-CE1 4.31Å; E61-F86 HydrophobicContact CG-CE2 4.25Å; E61-F86 HydrophobicContact CG-CG 3.74Å; E61-F86 HydrophobicContact CG-CZ 4.45Å; E61-F86 WeakPolarHBondContact OE2-CB 3.26Å
62D97.2Very high94.4Very high130 Ų13077 Ų7770%0.69538%0.381SS*.Hα-helixtrans-60.6-45.9178.4-76.3-25.5000110.8V64 V65 D66D62-V64 VanDerWaalsContact C-N 3.33Å; D62-V64 PolarHBondContact O-N 3.43Å; D62-V65 PolarHBondContact O-N 3.11Å; D62-D66 PolarHBondContact O-N 3.34Å
63R97.9Very high94.7Very high105 Ų10572 Ų7240%0.39637%0.373SS..Hα-helixtrans-68.6-31.1178.1-70.2179.268.5-153.2-7.6113.1Q45 L46 D60 E61 V65 E67Q45-R63 PolarHBondContact O-NH1 2.99Å; L46-R63 HydrophobicContact CD2-CB 4.19Å; D60-R63 HydrophobicContact CB-CB 4.17Å; D60-R63 HydrophobicContact CB-CG 4.43Å; D60-R63 VanDerWaalsContact CG-CD 3.45Å; D60-R63 PolarHBondContact O-N 2.66Å; D60-R63 WeakPolarHBondContact OD1-CB 3.5Å; D60-R63 WeakPolarHBondContact OD1-CG 3.31Å; D60-R63 PolarHBondContact OD1-N 3.08Å; D60-R63 WeakPolarHBondContact OD2-CD 3.26Å; D60-R63 WeakPolarHBondContact OD2-CG 3.48Å; E61-R63 PolarHBondContact O-N 2.96Å; R63-V65 VanDerWaalsContact C-N 3.34Å; R63-E67 WeakPolarHBondContact O-CB 3.38Å; R63-E67 PolarHBondContact O-N 2.88Å
64V98.1Very high95.1Very high0 Ų073.2 Ų73.20%038%0.384CS..Hα-helixtrans-65.4-41.4171.6167.70000110.6V37 L46 L59 D60 E61 D62 E67 L68 F86 F87V37-V64 HydrophobicContact CG1-CG1 3.71Å; V37-V64 HydrophobicContact CG1-CG2 4.46Å; L46-V64 HydrophobicContact CB-CG2 4.07Å; L46-V64 HydrophobicContact CD1-CG2 3.83Å; L59-V64 HydrophobicContact CD1-CG2 3.76Å; L59-V64 HydrophobicContact CD2-CG2 4.1Å; L59-V64 HydrophobicContact CG-CG2 3.98Å; D60-V64 WeakPolarHBondContact O-CG2 3.41Å; D60-V64 PolarHBondContact O-N 2.89Å; E61-V64 WeakPolarHBondContact O-CB 3.45Å; E61-V64 PolarHBondContact O-N 3.38Å; D62-V64 VanDerWaalsContact C-N 3.33Å; D62-V64 PolarHBondContact O-N 3.43Å; V64-E67 PolarHBondContact O-N 2.85Å; V64-L68 HydrophobicContact CG1-CD1 4.12Å; V64-L68 PolarHBondContact O-N 3.25Å; V64-F86 HydrophobicContact CB-CE2 4.48Å; V64-F86 HydrophobicContact CG1-CE2 4.05Å; V64-F87 HydrophobicContact CG1-CE1 4.18Å
65V98.1Very high95.8Very high22 Ų2270 Ų7013%0.13338%0.379CS..Hα-helixtrans-62.5-49.2176.9173.30000110.4E61 D62 R63 E67 L68 E69 F86 P88 W91E61-V65 WeakPolarHBondContact O-CG2 3.48Å; E61-V65 PolarHBondContact O-N 3.23Å; D62-V65 PolarHBondContact O-N 3.11Å; R63-V65 VanDerWaalsContact C-N 3.34Å; V65-E67 VanDerWaalsContact C-N 3.34Å; V65-E67 PolarHBondContact O-N 3.32Å; V65-L68 PolarHBondContact O-N 2.96Å; V65-E69 PolarHBondContact O-N 3.41Å; V65-F86 HydrophobicContact CG2-CD2 4.02Å; V65-P88 HydrophobicContact CG1-CG 3.87Å; V65-W91 HydrophobicContact CB-CH2 4.29Å; V65-W91 HydrophobicContact CG1-CH2 4.04Å; V65-W91 HydrophobicContact CG1-CZ2 3.85Å; V65-W91 HydrophobicContact CG2-CH2 4.39Å; V65-W91 WeakPolarHBondContact O-CH2 3.34Å
66D97.8Very high96.4Very high126 Ų12663.8 Ų63.867%0.67435%0.35SS*.Hα-helixtrans-57.9-43.7178.2-77.1-16000112.4D62 L68D62-D66 PolarHBondContact O-N 3.34Å; D66-L68 VanDerWaalsContact C-N 3.29Å; D66-L68 PolarHBondContact O-N 3.37Å
67E97.7Very high97Very high118 Ų11861.5 Ų61.555%0.55134%0.335SS*.Hα-helixtrans-66.5-30.1-179.2-173.964.5-155.300112.7L40 L46 R63 V64 V65L40-E67 HydrophobicContact CD1-CG 4.15Å; L40-E67 HydrophobicContact CD2-CG 4.31Å; L40-E67 HydrophobicContact CG-CG 4.46Å; L46-E67 HydrophobicContact CD1-CB 4.18Å; L46-E67 HydrophobicContact CD1-CG 4.32Å; R63-E67 WeakPolarHBondContact O-CB 3.38Å; R63-E67 PolarHBondContact O-N 2.88Å; V64-E67 PolarHBondContact O-N 2.85Å; V65-E67 VanDerWaalsContact C-N 3.34Å; V65-E67 PolarHBondContact O-N 3.32Å
68L98.1Very high97.3Very high1 Ų158.5 Ų58.51%0.00532%0.315CS..Hα-helixtrans-95.3-18-176.9-73.8175.9000114.2V35 V37 L40 V64 V65 D66 D70 K71 M72 W91V35-L68 HydrophobicContact CG1-CD2 3.97Å; V35-L68 HydrophobicContact CG2-CD2 4.42Å; V37-L68 HydrophobicContact CG2-CD1 4.31Å; L40-L68 HydrophobicContact CD2-CD1 3.88Å; L40-L68 HydrophobicContact CD2-CD2 3.74Å; L40-L68 HydrophobicContact CD2-CG 3.66Å; V64-L68 HydrophobicContact CG1-CD1 4.12Å; V64-L68 PolarHBondContact O-N 3.25Å; V65-L68 PolarHBondContact O-N 2.96Å; D66-L68 VanDerWaalsContact C-N 3.29Å; D66-L68 PolarHBondContact O-N 3.37Å; L68-D70 PolarHBondContact O-N 3.41Å; L68-K71 HydrophobicContact CD2-CD 4.47Å; L68-K71 PolarHBondContact O-N 3.37Å; L68-K71 VanDerWaalsContact O-N 3.07Å; L68-M72 HydrophobicContact CB-CG 4.16Å; L68-M72 VanDerWaalsContact O-CG 3.28Å; L68-M72 WeakPolarHBondContact O-CG 3.39Å; L68-M72 PolarHBondContact O-N 2.85Å; L68-W91 HydrophobicContact CB-CH2 3.5Å; L68-W91 HydrophobicContact CB-CZ2 4.32Å; L68-W91 HydrophobicContact CB-CZ3 3.93Å; L68-W91 HydrophobicContact CD1-CZ3 4.23Å
69E97.8Very high97.6Very high54 Ų5455.5 Ų55.525%0.25230%0.297SS..Hα-helixtrans-50.5-52.8-171-178.556.1-147.600113.7V65 K71 M72 G73 R90 W91V65-E69 PolarHBondContact O-N 3.41Å; E69-K71 PolarHBondContact O-N 3.28Å; E69-M72 PolarHBondContact O-N 2.99Å; E69-G73 PolarHBondContact O-N 3.46Å; E69-R90 IonicContact OE1-CZ 3.13Å; E69-R90 IonicContact OE1-NH1 2.73Å; E69-R90 PolarHBondContact OE1-NH1 3.34Å; E69-R90 IonicContact OE1-NH2 2.68Å; E69-R90 PolarHBondContact OE1-NH2 2.83Å; E69-R90 IonicContact OE2-CZ 3.63Å; E69-R90 IonicContact OE2-NH1 3.68Å; E69-R90 IonicContact OE2-NH2 2.77Å; E69-R90 PolarHBondContact OE2-NH2 2.84Å; E69-W91 HydrophobicContact CB-CZ2 4.37Å; E69-W91 WeakPolarHBondContact OE2-CZ2 3.49Å; E69-W91 PolarHBondContact OE2-NE1 2.86Å
70D97Very high97.7Very high139 Ų13954.5 Ų54.574%0.74329%0.292SS*.Hα-helixtrans-62.2-42.9-179.3-77.3-18.6000111.6L68 M72 G73 D74L68-D70 PolarHBondContact O-N 3.41Å; D70-M72 PolarHBondContact O-N 2.96Å; D70-G73 PolarHBondContact O-N 3.09Å; D70-D74 PolarHBondContact O-N 2.98Å; D70-D74 VanDerWaalsContact O-N 3.07Å
71K96.6Very high97.8Very high89 Ų8954.6 Ų54.639%0.38729%0.29SS..Hα-helixtrans-66.6-39.5-179.5-166.2-167.7-62.5-71.20111.4T33 V35 L68 E69 G73 D74 G75 V77T33-K71 HydrophobicContact CG2-CD 4.35Å; V35-K71 HydrophobicContact CG2-CD 4.02Å; L68-K71 HydrophobicContact CD2-CD 4.47Å; L68-K71 PolarHBondContact O-N 3.37Å; L68-K71 VanDerWaalsContact O-N 3.07Å; E69-K71 PolarHBondContact O-N 3.28Å; K71-G73 VanDerWaalsContact C-N 3.31Å; K71-D74 PolarHBondContact O-N 3.21Å; K71-G75 PolarHBondContact O-N 3.03Å; K71-V77 HydrophobicContact CD-CG1 4.35Å; K71-V77 HydrophobicContact CD-CG2 4.07Å; K71-V77 HydrophobicContact CG-CG2 3.8Å
72M98.2Very high97.7Very high6 Ų654 Ų543%0.0329%0.287CS..Hα-helixtrans-69.7-32.5176.2-63.2-56.3-72.700111.2N8 L68 E69 D70 G75 V77 V79 W91 F92N8-M72 HydrophobicContact CB-CE 3.77Å; N8-M72 PolarHBondContact ND2-O 3.29Å; L68-M72 HydrophobicContact CB-CG 4.16Å; L68-M72 VanDerWaalsContact O-CG 3.28Å; L68-M72 WeakPolarHBondContact O-CG 3.39Å; L68-M72 PolarHBondContact O-N 2.85Å; E69-M72 PolarHBondContact O-N 2.99Å; D70-M72 PolarHBondContact O-N 2.96Å; M72-G75 PolarHBondContact O-N 2.87Å; M72-V77 HydrophobicContact SD-CB 3.64Å; M72-V77 HydrophobicContact SD-CG1 3.74Å; M72-V77 HydrophobicContact SD-CG2 3.91Å; M72-V79 HydrophobicContact CE-CG2 3.88Å; M72-V79 HydrophobicContact SD-CG2 3.83Å; M72-W91 HydrophobicContact CB-CD2 3.87Å; M72-W91 HydrophobicContact CB-CE3 4.43Å; M72-W91 HydrophobicContact CB-CG 3.95Å; M72-W91 HydrophobicContact CB-CZ2 4.4Å; M72-W91 HydrophobicContact CE-CB 3.75Å; M72-W91 HydrophobicContact CE-CD2 4.14Å; M72-W91 HydrophobicContact CE-CE3 3.96Å; M72-W91 HydrophobicContact CE-CG 4.12Å; M72-W91 HydrophobicContact CG-CD2 3.67Å; M72-W91 HydrophobicContact CG-CE3 3.72Å; M72-W91 HydrophobicContact CG-CG 4.18Å; M72-W91 HydrophobicContact CG-CH2 4.15Å; M72-W91 HydrophobicContact CG-CZ2 4.15Å; M72-W91 HydrophobicContact CG-CZ3 3.94Å; M72-W91 HydrophobicContact SD-CE3 4.48Å; M72-F92 HydrophobicContact CE-CD1 3.91Å; M72-F92 HydrophobicContact CE-CE1 3.4Å; M72-F92 HydrophobicContact CE-CZ 3.96Å
73G96.6Very high97.6Very high59 Ų5948.2 Ų48.261%0.60826%0.258SS*.Hα-helixtrans-64.4-37.3172.800000114.1E69 D70 K71 G75E69-G73 PolarHBondContact O-N 3.46Å; D70-G73 PolarHBondContact O-N 3.09Å; K71-G73 VanDerWaalsContact C-N 3.31Å; G73-G75 VanDerWaalsContact C-N 3.31Å
74D95.8Very high97.6Very high147 Ų14743.2 Ų43.279%0.78624%0.239SC*.Hα-helixtrans-69.2-29.2174.4-77.3-19.7000112.8D70 K71D70-D74 PolarHBondContact O-N 2.98Å; D70-D74 VanDerWaalsContact O-N 3.07Å; K71-D74 PolarHBondContact O-N 3.21Å
75G97.3Very high97.4Very high23 Ų2348 Ų4824%0.23727%0.265CS..  trans81.7170.717900000114.3N8 K71 M72 G73N8-G75 VanDerWaalsContact OD1-C 3.31Å; N8-G75 VanDerWaalsContact OD1-CA 3.25Å; N8-G75 WeakPolarHBondContact OD1-CA 3.22Å; K71-G75 PolarHBondContact O-N 3.03Å; M72-G75 PolarHBondContact O-N 2.87Å; G73-G75 VanDerWaalsContact C-N 3.31Å
76G98.3Very high97.4Very high3 Ų348.6 Ų48.63%0.03127%0.266CS..  trans81.335.117900000114.5R6 P7 N8 L32 T33R6-G76 VanDerWaalsContact CB-CA 3.48Å; R6-G76 PolarHBondContact O-N 3.35Å; P7-G76 VanDerWaalsContact O-CA 3.23Å; P7-G76 WeakPolarHBondContact O-CA 3.32Å; P7-G76 PolarHBondContact O-N 2.9Å; N8-G76 PolarHBondContact OD1-N 3.39Å; L32-G76 WeakPolarHBondContact CA-O 3.43Å; L32-G76 WeakPolarHBondContact CB-O 3.44Å; T33-G76 PolarHBondContact N-O 3.44Å
77V98.8Very high97.4Very high2 Ų243 Ų431%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-112.8135.5-178.1-170.80000111.2N8 I9 T33 V35 K71 M72 V79N8-V77 CarbonylContact C-O 3.54Å; N8-V77 VanDerWaalsContact CA-O 3.22Å; N8-V77 WeakPolarHBondContact CA-O 3.37Å; N8-V77 PolarHBondContact OD1-N 2.95Å; I9-V77 PolarHBondContact N-O 3.2Å; T33-V77 CarbonylContact O-C 3.51Å; T33-V77 WeakPolarHBondContact O-CA 3.32Å; V35-V77 HydrophobicContact CB-CG1 4.38Å; V35-V77 HydrophobicContact CG2-CG1 3.79Å; K71-V77 HydrophobicContact CD-CG1 4.35Å; K71-V77 HydrophobicContact CD-CG2 4.07Å; K71-V77 HydrophobicContact CG-CG2 3.8Å; M72-V77 HydrophobicContact SD-CB 3.64Å; M72-V77 HydrophobicContact SD-CG1 3.74Å; M72-V77 HydrophobicContact SD-CG2 3.91Å; V77-V79 HydrophobicContact CG1-CG2 3.89Å
78I98.9Very high97.5Very high0 Ų038.9 Ų38.90%022%0.219CC..EExtended strand (participates in β ladder)trans-104.5111.7168-56.6169.3000107I9 L11 L26 A27 L32 T33 Y34 V35I9-I78 HydrophobicContact CB-CG1 4.43Å; I9-I78 CarbonylContact O-C 3.59Å; I9-I78 WeakPolarHBondContact O-CA 3.29Å; L11-I78 HydrophobicContact CD1-CG2 3.75Å; L11-I78 HydrophobicContact CG-CG2 3.93Å; L26-I78 HydrophobicContact CB-CD1 3.57Å; A27-I78 HydrophobicContact CB-CD1 4.33Å; L32-I78 HydrophobicContact CB-CD1 3.88Å; L32-I78 HydrophobicContact CB-CG1 3.96Å; L32-I78 HydrophobicContact CD1-CD1 4.15Å; L32-I78 HydrophobicContact CD1-CG1 3.92Å; T33-I78 PolarHBondContact O-N 3.01Å; Y34-I78 WeakPolarHBondContact CA-O 3.5Å; Y34-I78 HydrophobicContact CD2-CG2 4.34Å; V35-I78 PolarHBondContact N-O 3.37Å
79V98.9Very high97.4Very high0 Ų043.4 Ų43.40%024%0.24CC..EExtended strand (participates in β ladder)trans-95.8129.3179179.10000109.4I9 L10 L11 V37 M72 V77 F87 F92I9-V79 PolarHBondContact O-N 3.43Å; L10-V79 HydrophobicContact CD1-CB 4.12Å; L10-V79 HydrophobicContact CD1-CG1 3.96Å; L11-V79 PolarHBondContact N-O 3.43Å; V37-V79 HydrophobicContact CG2-CG1 3.6Å; M72-V79 HydrophobicContact CE-CG2 3.88Å; M72-V79 HydrophobicContact SD-CG2 3.83Å; V77-V79 HydrophobicContact CG1-CG2 3.89Å; V79-F87 HydrophobicContact CG1-CE2 4.39Å; V79-F87 HydrophobicContact CG1-CZ 4.15Å; V79-F92 HydrophobicContact CB-CE1 3.82Å; V79-F92 HydrophobicContact CB-CZ 4.11Å; V79-F92 HydrophobicContact CG1-CZ 4.33Å; V79-F92 HydrophobicContact CG2-CE1 3.68Å; V79-F92 HydrophobicContact CG2-CZ 4.09Å
80D98.6Very high97.5Very high3 Ų348.1 Ų48.12%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-113.7111.2172.8169.617.3000109.6K19 T20 Y34 V35 N36 V37K19-D80 WeakPolarHBondContact CB-OD1 3.41Å; K19-D80 WeakPolarHBondContact CD-OD1 3.39Å; K19-D80 WeakPolarHBondContact CE-OD1 3.3Å; T20-D80 WeakPolarHBondContact CA-OD2 3.31Å; T20-D80 WeakPolarHBondContact CB-OD2 3.27Å; T20-D80 PolarHBondContact N-OD2 2.95Å; T20-D80 PolarHBondContact OG1-OD2 3.48Å; Y34-D80 HydrophobicContact CE2-CB 3.72Å; Y34-D80 PolarHBondContact OH-OD2 2.81Å; V35-D80 PolarHBondContact O-N 2.93Å; N36-D80 PolarHBondContact ND2-OD2 2.98Å; V37-D80 PolarHBondContact N-O 2.78Å
81Y98.6Very high97.5Very high32 Ų3241.7 Ų41.713%0.12522%0.221CC..  trans-148.7166.9167.5-159.8-125.1000110.9L11 T12 K19 V37 L59 G83 F86 F87L11-Y81 PolarHBondContact O-N 3.36Å; T12-Y81 VanDerWaalsContact CA-O 3.31Å; T12-Y81 WeakPolarHBondContact CA-O 3.12Å; T12-Y81 PolarHBondContact OG1-O 3.02Å; K19-Y81 VanDerWaalsContact CD-O 3.24Å; K19-Y81 WeakPolarHBondContact CD-O 3.31Å; K19-Y81 VanDerWaalsContact CE-O 3.23Å; K19-Y81 WeakPolarHBondContact CE-O 3.23Å; V37-Y81 HydrophobicContact CB-CD2 3.52Å; V37-Y81 HydrophobicContact CB-CE2 4.25Å; V37-Y81 HydrophobicContact CB-CG 3.79Å; V37-Y81 HydrophobicContact CG1-CD1 4.42Å; V37-Y81 HydrophobicContact CG1-CD2 3.69Å; V37-Y81 HydrophobicContact CG1-CE2 3.99Å; V37-Y81 HydrophobicContact CG1-CG 3.91Å; V37-Y81 HydrophobicContact CG2-CG 4.4Å; L59-Y81 HydrophobicContact CD2-CE1 3.9Å; L59-Y81 HydrophobicContact CD2-CE2 4.33Å; L59-Y81 VanDerWaalsContact CD2-OH 3.3Å; L59-Y81 WeakPolarHBondContact CD2-OH 3.3Å; Y81-G83 VanDerWaalsContact CD1-O 3.29Å; Y81-G83 WeakPolarHBondContact CD1-O 3.24Å; Y81-F86 AromaticContact CD1-CE1 3.81Å; Y81-F86 HydrophobicContact CD1-CE1 3.81Å; Y81-F86 AromaticContact CD1-CZ 3.87Å; Y81-F86 HydrophobicContact CD1-CZ 3.87Å; Y81-F86 AromaticContact CE1-CE1 3.73Å; Y81-F86 HydrophobicContact CE1-CE1 3.73Å; Y81-F86 AromaticContact CE1-CZ 3.93Å; Y81-F86 HydrophobicContact CE1-CZ 3.93Å; Y81-F87 HydrophobicContact CD1-CZ 4.42Å
82H96.6Very high97.6Very high75 Ų7537.8 Ų37.835%0.34720%0.204SC..SBendtrans-94.8-27.4-18059-82000113.2T12 P15 I131T12-H82 PolarHBondContact OG1-O 3.46Å; T12-H82 VanDerWaalsContact OG1-O 3.08Å; P15-H82 HydrophobicContact CG-CB 4.18Å; H82-I131 VanDerWaalsContact O-CD1 3.27Å; H82-I131 WeakPolarHBondContact O-CD1 3.48Å; H82-I131 WeakPolarHBondContact O-CG2 3.23Å
83G94.4Very high97.7Very high8 Ų840.4 Ų40.48%0.08222%0.216CC..  trans-98.1167.1166.700000111.5Y81 E134Y81-G83 VanDerWaalsContact CD1-O 3.29Å; Y81-G83 WeakPolarHBondContact CD1-O 3.24Å; G83-E134 VanDerWaalsContact CA-OE1 3.29Å; G83-E134 WeakPolarHBondContact CA-OE1 3.26Å
84C96.9Very high97.8Very high0 Ų037.7 Ų37.70%019%0.188CC..  trans-157.1-5.7-173.164.20000116.9L10 F87 E134 Y139L10-C84 HydrophobicContact CD2-CB 3.57Å; C84-F87 HydrophobicContact CB-CD2 4.4Å; C84-E134 PolarHBondContact N-OE1 3.09Å; C84-E134 PolarHBondContact SG-OE1 3.08Å; C84-Y139 HydrophobicContact CB-CE2 3.93Å; C84-Y139 PolarHBondContact O-OH 2.99Å
85D95.5Very high97.9Very high100 Ų10030.7 Ų30.754%0.53515%0.15SC..THydrogen-bonded Turntrans-72.2-26.4-177.662.4-12.4000114.5E134 A138D85-E134 HydrophobicContact CB-CG 3.9Å; D85-E134 PolarHBondContact N-OE1 3.45Å; D85-A138 HydrophobicContact CB-CB 4.47Å
86F97.6Very high98Very high35 Ų3530.2 Ų30.215%0.15414%0.142CC..THydrogen-bonded Turntrans-83.8-14.6179.169-88.9000114.4L59 E61 V64 V65 Y81L59-F86 HydrophobicContact CD2-CE1 4.48Å; L59-F86 HydrophobicContact CD2-CE2 4.48Å; L59-F86 HydrophobicContact CD2-CZ 3.94Å; E61-F86 HydrophobicContact CB-CB 4.06Å; E61-F86 HydrophobicContact CB-CD2 3.71Å; E61-F86 HydrophobicContact CB-CE2 4.28Å; E61-F86 HydrophobicContact CB-CG 3.88Å; E61-F86 HydrophobicContact CG-CB 4.16Å; E61-F86 HydrophobicContact CG-CD1 3.95Å; E61-F86 HydrophobicContact CG-CD2 3.91Å; E61-F86 HydrophobicContact CG-CE1 4.31Å; E61-F86 HydrophobicContact CG-CE2 4.25Å; E61-F86 HydrophobicContact CG-CG 3.74Å; E61-F86 HydrophobicContact CG-CZ 4.45Å; E61-F86 WeakPolarHBondContact OE2-CB 3.26Å; V64-F86 HydrophobicContact CB-CE2 4.48Å; V64-F86 HydrophobicContact CG1-CE2 4.05Å; V65-F86 HydrophobicContact CG2-CD2 4.02Å; Y81-F86 AromaticContact CD1-CE1 3.81Å; Y81-F86 HydrophobicContact CD1-CE1 3.81Å; Y81-F86 AromaticContact CD1-CZ 3.87Å; Y81-F86 HydrophobicContact CD1-CZ 3.87Å; Y81-F86 AromaticContact CE1-CE1 3.73Å; Y81-F86 HydrophobicContact CE1-CE1 3.73Å; Y81-F86 AromaticContact CE1-CZ 3.93Å; Y81-F86 HydrophobicContact CE1-CZ 3.93Å
87F98.4Very high98Very high9 Ų930.1 Ų30.14%0.03914%0.14CC..SBendtrans-74.4141.4177.6-63.6-56.8000111.3L10 V37 V64 V79 Y81 C84 E89 W91 F92L10-F87 HydrophobicContact CD1-CD2 4.47Å; L10-F87 HydrophobicContact CD1-CE2 4.24Å; V37-F87 HydrophobicContact CG1-CZ 4.46Å; V37-F87 HydrophobicContact CG2-CE1 4.48Å; V37-F87 HydrophobicContact CG2-CZ 3.97Å; V64-F87 HydrophobicContact CG1-CE1 4.18Å; V79-F87 HydrophobicContact CG1-CE2 4.39Å; V79-F87 HydrophobicContact CG1-CZ 4.15Å; Y81-F87 HydrophobicContact CD1-CZ 4.42Å; C84-F87 HydrophobicContact CB-CD2 4.4Å; F87-E89 PolarHBondContact O-N 2.99Å; F87-W91 HydrophobicContact CB-CE3 4.13Å; F87-W91 HydrophobicContact CB-CZ3 4.47Å; F87-W91 AromaticContact CD1-CE3 3.88Å; F87-W91 HydrophobicContact CD1-CE3 3.88Å; F87-W91 HydrophobicContact CD1-CH2 4.4Å; F87-W91 AromaticContact CD1-CZ3 3.45Å; F87-W91 HydrophobicContact CD1-CZ3 3.45Å; F87-W91 VanDerWaalsContact CD1-CZ3 3.45Å; F87-W91 HydrophobicContact CE1-CZ3 4.06Å; F87-W91 HydrophobicContact CG-CE3 4.27Å; F87-W91 HydrophobicContact CG-CZ3 4.28Å; F87-F92 HydrophobicContact CB-CE2 3.71Å; F87-F92 HydrophobicContact CB-CZ 4.38Å; F87-F92 AromaticContact CD2-CE2 3.99Å; F87-F92 HydrophobicContact CD2-CE2 3.99Å; F87-F92 HydrophobicContact CD2-CZ 4.18Å; F87-F92 AromaticContact CG-CE2 3.97Å; F87-F92 HydrophobicContact CG-CE2 3.97Å; F87-F92 HydrophobicContact CG-CZ 4.22Å
88P98.3Very high98Very high32 Ų3230 Ų3021%0.20814%0.14CC..  trans-58.6123.3172.9-24.833.5000112.4V65 R90 W91V65-P88 HydrophobicContact CG1-CG 3.87Å; P88-R90 HydrophobicContact CB-CG 4.16Å; P88-R90 PolarHBondContact O-N 2.85Å; P88-W91 HydrophobicContact CB-CD2 4.35Å; P88-W91 HydrophobicContact CB-CG 4.15Å; P88-W91 HydrophobicContact CG-CD2 4.13Å; P88-W91 HydrophobicContact CG-CG 4.43Å; P88-W91 HydrophobicContact CG-CZ2 4.04Å; P88-W91 VanDerWaalsContact O-CB 3.25Å; P88-W91 WeakPolarHBondContact O-CB 3.47Å; P88-W91 PolarHBondContact O-N 3.28Å
89E97.4Very high98Very high95 Ų9532 Ų3244%0.44415%0.147SC..G310 helixtrans-48.4-38.6-178.2-170.9-163.9155.900113.1F87 W91 Y139 K140F87-E89 PolarHBondContact O-N 2.99Å; E89-W91 PolarHBondContact O-N 3.43Å; E89-W91 VanDerWaalsContact O-N 3.09Å; E89-Y139 HydrophobicContact CG-CD1 4.11Å; E89-K140 VanDerWaalsContact OE1-CE 3.22Å; E89-K140 WeakPolarHBondContact OE1-CE 3.29Å; E89-K140 WeakPolarHBondContact OE1-CG 3.49Å
90R97.9Very high98Very high154 Ų15432.2 Ų32.258%0.58115%0.149SC*.G310 helixtrans-62.1-17.4-179.467.4176.4166.587.57.4114.7E69 P88 F92E69-R90 IonicContact OE1-CZ 3.13Å; E69-R90 IonicContact OE1-NH1 2.73Å; E69-R90 PolarHBondContact OE1-NH1 3.34Å; E69-R90 IonicContact OE1-NH2 2.68Å; E69-R90 PolarHBondContact OE1-NH2 2.83Å; E69-R90 IonicContact OE2-CZ 3.63Å; E69-R90 IonicContact OE2-NH1 3.68Å; E69-R90 IonicContact OE2-NH2 2.77Å; E69-R90 PolarHBondContact OE2-NH2 2.84Å; P88-R90 HydrophobicContact CB-CG 4.16Å; P88-R90 PolarHBondContact O-N 2.85Å; R90-F92 VanDerWaalsContact C-N 3.33Å; R90-F92 PolarHBondContact O-N 2.82Å
91W98.6Very high98Very high3 Ų336.8 Ų36.81%0.01117%0.173CC..G310 helixtrans-66.7-36-174.7-82.47.1000112.1N8 V65 L68 E69 M72 F87 P88 E89N8-W91 WeakPolarHBondContact CB-O 3.22Å; N8-W91 PolarHBondContact ND2-O 3.43Å; V65-W91 HydrophobicContact CB-CH2 4.29Å; V65-W91 HydrophobicContact CG1-CH2 4.04Å; V65-W91 HydrophobicContact CG1-CZ2 3.85Å; V65-W91 HydrophobicContact CG2-CH2 4.39Å; V65-W91 WeakPolarHBondContact O-CH2 3.34Å; L68-W91 HydrophobicContact CB-CH2 3.5Å; L68-W91 HydrophobicContact CB-CZ2 4.32Å; L68-W91 HydrophobicContact CB-CZ3 3.93Å; L68-W91 HydrophobicContact CD1-CZ3 4.23Å; E69-W91 HydrophobicContact CB-CZ2 4.37Å; E69-W91 WeakPolarHBondContact OE2-CZ2 3.49Å; E69-W91 PolarHBondContact OE2-NE1 2.86Å; M72-W91 HydrophobicContact CB-CD2 3.87Å; M72-W91 HydrophobicContact CB-CE3 4.43Å; M72-W91 HydrophobicContact CB-CG 3.95Å; M72-W91 HydrophobicContact CB-CZ2 4.4Å; M72-W91 HydrophobicContact CE-CB 3.75Å; M72-W91 HydrophobicContact CE-CD2 4.14Å; M72-W91 HydrophobicContact CE-CE3 3.96Å; M72-W91 HydrophobicContact CE-CG 4.12Å; M72-W91 HydrophobicContact CG-CD2 3.67Å; M72-W91 HydrophobicContact CG-CE3 3.72Å; M72-W91 HydrophobicContact CG-CG 4.18Å; M72-W91 HydrophobicContact CG-CH2 4.15Å; M72-W91 HydrophobicContact CG-CZ2 4.15Å; M72-W91 HydrophobicContact CG-CZ3 3.94Å; M72-W91 HydrophobicContact SD-CE3 4.48Å; F87-W91 HydrophobicContact CB-CE3 4.13Å; F87-W91 HydrophobicContact CB-CZ3 4.47Å; F87-W91 AromaticContact CD1-CE3 3.88Å; F87-W91 HydrophobicContact CD1-CE3 3.88Å; F87-W91 HydrophobicContact CD1-CH2 4.4Å; F87-W91 AromaticContact CD1-CZ3 3.45Å; F87-W91 HydrophobicContact CD1-CZ3 3.45Å; F87-W91 VanDerWaalsContact CD1-CZ3 3.45Å; F87-W91 HydrophobicContact CE1-CZ3 4.06Å; F87-W91 HydrophobicContact CG-CE3 4.27Å; F87-W91 HydrophobicContact CG-CZ3 4.28Å; P88-W91 HydrophobicContact CB-CD2 4.35Å; P88-W91 HydrophobicContact CB-CG 4.15Å; P88-W91 HydrophobicContact CG-CD2 4.13Å; P88-W91 HydrophobicContact CG-CG 4.43Å; P88-W91 HydrophobicContact CG-CZ2 4.04Å; P88-W91 VanDerWaalsContact O-CB 3.25Å; P88-W91 WeakPolarHBondContact O-CB 3.47Å; P88-W91 PolarHBondContact O-N 3.28Å; E89-W91 PolarHBondContact O-N 3.43Å; E89-W91 VanDerWaalsContact O-N 3.09Å
92F98.8Very high97.7Very high8 Ų838.6 Ų38.64%0.03519%0.185CC..  trans-109.4137.9-167.4-56.1-68.2000112.5N8 L10 M72 V79 F87 R90 V95 Y139N8-F92 HydrophobicContact CB-CD1 4.26Å; L10-F92 HydrophobicContact CB-CD1 3.66Å; L10-F92 HydrophobicContact CB-CD2 4.08Å; L10-F92 HydrophobicContact CB-CE1 3.75Å; L10-F92 HydrophobicContact CB-CE2 4.16Å; L10-F92 HydrophobicContact CB-CG 3.82Å; L10-F92 HydrophobicContact CB-CZ 4.01Å; L10-F92 HydrophobicContact CD1-CE1 4.33Å; L10-F92 HydrophobicContact CD1-CE2 4.44Å; L10-F92 HydrophobicContact CD1-CZ 4.01Å; L10-F92 HydrophobicContact CD2-CD2 4.21Å; L10-F92 HydrophobicContact CD2-CE2 4Å; L10-F92 HydrophobicContact CD2-CZ 4.38Å; L10-F92 HydrophobicContact CG-CE2 4.44Å; L10-F92 HydrophobicContact CG-CZ 4.36Å; M72-F92 HydrophobicContact CE-CD1 3.91Å; M72-F92 HydrophobicContact CE-CE1 3.4Å; M72-F92 HydrophobicContact CE-CZ 3.96Å; V79-F92 HydrophobicContact CB-CE1 3.82Å; V79-F92 HydrophobicContact CB-CZ 4.11Å; V79-F92 HydrophobicContact CG1-CZ 4.33Å; V79-F92 HydrophobicContact CG2-CE1 3.68Å; V79-F92 HydrophobicContact CG2-CZ 4.09Å; F87-F92 HydrophobicContact CB-CE2 3.71Å; F87-F92 HydrophobicContact CB-CZ 4.38Å; F87-F92 AromaticContact CD2-CE2 3.99Å; F87-F92 HydrophobicContact CD2-CE2 3.99Å; F87-F92 HydrophobicContact CD2-CZ 4.18Å; F87-F92 AromaticContact CG-CE2 3.97Å; F87-F92 HydrophobicContact CG-CE2 3.97Å; F87-F92 HydrophobicContact CG-CZ 4.22Å; R90-F92 VanDerWaalsContact C-N 3.33Å; R90-F92 PolarHBondContact O-N 2.82Å; F92-V95 HydrophobicContact CB-CG2 4.21Å; F92-Y139 AromaticContact CD2-CE1 3.65Å; F92-Y139 HydrophobicContact CD2-CE1 3.65Å; F92-Y139 AromaticContact CD2-CZ 3.89Å; F92-Y139 HydrophobicContact CE2-CE1 4.36Å; F92-Y139 WeakPolarHBondContact CE2-OH 3.37Å
93Q98.8Very high97.6Very high60 Ų6040 Ų4028%0.2820%0.199SC..SBendtrans-92.1-18.9171.4-78.671.16700112.1P7 N8 W165 W169P7-Q93 HydrophobicContact CB-CB 4.22Å; N8-Q93 PolarHBondContact O-N 2.91Å; Q93-W165 HydrophobicContact CB-CH2 3.88Å; Q93-W165 HydrophobicContact CB-CZ2 4.39Å; Q93-W169 HydrophobicContact CG-CZ2 3.7Å
94I98.9Very high97.7Very high3 Ų342.2 Ų42.22%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-156146.7174.7-163.9158.7000110.2I9 L10 F96 I143 W165I9-I94 HydrophobicContact CB-CG2 4.26Å; I9-I94 HydrophobicContact CD1-CG2 4.49Å; I9-I94 HydrophobicContact CG1-CG2 3.86Å; I9-I94 HydrophobicContact CG2-CG2 3.97Å; L10-I94 PolarHBondContact N-O 2.77Å; L10-I94 VanDerWaalsContact N-O 3.08Å; I94-F96 HydrophobicContact CB-CE2 4.4Å; I94-F96 HydrophobicContact CD1-CE1 3.88Å; I94-F96 HydrophobicContact CD1-CE2 3.92Å; I94-F96 HydrophobicContact CD1-CZ 3.32Å; I94-F96 HydrophobicContact CG1-CE1 4.18Å; I94-F96 HydrophobicContact CG1-CE2 3.91Å; I94-F96 HydrophobicContact CG1-CZ 3.73Å; I94-F96 HydrophobicContact CG2-CD2 4.26Å; I94-F96 HydrophobicContact CG2-CE2 3.6Å; I94-F96 HydrophobicContact CG2-CZ 4.19Å; I94-I143 WeakPolarHBondContact CG1-O 3.42Å; I94-W165 HydrophobicContact CB-CH2 3.67Å; I94-W165 HydrophobicContact CB-CZ2 3.56Å; I94-W165 HydrophobicContact CB-CZ3 4.27Å; I94-W165 HydrophobicContact CD1-CD2 3.85Å; I94-W165 VanDerWaalsContact CD1-CE2 3.44Å; I94-W165 HydrophobicContact CD1-CG 4.12Å; I94-W165 HydrophobicContact CD1-CZ2 3.84Å; I94-W165 HydrophobicContact CG1-CZ2 4.31Å; I94-W165 HydrophobicContact CG2-CD2 4.32Å; I94-W165 HydrophobicContact CG2-CE3 3.96Å; I94-W165 HydrophobicContact CG2-CH2 3.35Å; I94-W165 HydrophobicContact CG2-CZ2 3.74Å; I94-W165 HydrophobicContact CG2-CZ3 3.47Å; I94-W165 VanDerWaalsContact CG2-CZ3 3.47Å
95V98.9Very high97.8Very high0 Ų042.2 Ų42.20%021%0.209CC..EExtended strand (participates in β ladder)trans-124.2124.2178.7-179.80000108.6L10 T12 F92 A135 Y139 I143 V144 H145L10-V95 HydrophobicContact CB-CB 4.41Å; L10-V95 HydrophobicContact CB-CG1 4.19Å; L10-V95 HydrophobicContact CB-CG2 4.1Å; L10-V95 HydrophobicContact CD2-CG1 3.86Å; L10-V95 HydrophobicContact CD2-CG2 4.23Å; L10-V95 HydrophobicContact CG-CG1 4.17Å; T12-V95 HydrophobicContact CG2-CG1 4.16Å; F92-V95 HydrophobicContact CB-CG2 4.21Å; V95-A135 HydrophobicContact CG1-CB 4.35Å; V95-Y139 HydrophobicContact CG1-CD2 4.5Å; V95-Y139 HydrophobicContact CG2-CD1 3.97Å; V95-Y139 HydrophobicContact CG2-CD2 3.95Å; V95-Y139 HydrophobicContact CG2-CE1 4.28Å; V95-Y139 HydrophobicContact CG2-CE2 4.29Å; V95-Y139 HydrophobicContact CG2-CG 3.8Å; V95-I143 HydrophobicContact CG2-CD1 4.39Å; V95-I143 PolarHBondContact N-O 2.62Å; V95-V144 HydrophobicContact CB-CG2 4.26Å; V95-V144 WeakPolarHBondContact O-CA 3.42Å; V95-H145 PolarHBondContact O-N 3.08Å
96F98.9Very high97.9Very high13 Ų1342.1 Ų42.16%0.05720%0.202CC..EExtended strand (participates in β ladder)trans-110.2118.2174.4-64.8-70.4000110.6I9 L10 L11 T12 I94 L98 H145 L147 V162I9-F96 HydrophobicContact CG2-CD2 3.79Å; I9-F96 HydrophobicContact CG2-CE2 4.02Å; L10-F96 PolarHBondContact O-N 3.33Å; L11-F96 HydrophobicContact CD2-CB 3.89Å; L11-F96 HydrophobicContact CD2-CD2 3.96Å; L11-F96 HydrophobicContact CD2-CG 4.38Å; T12-F96 PolarHBondContact N-O 2.68Å; I94-F96 HydrophobicContact CB-CE2 4.4Å; I94-F96 HydrophobicContact CD1-CE1 3.88Å; I94-F96 HydrophobicContact CD1-CE2 3.92Å; I94-F96 HydrophobicContact CD1-CZ 3.32Å; I94-F96 HydrophobicContact CG1-CE1 4.18Å; I94-F96 HydrophobicContact CG1-CE2 3.91Å; I94-F96 HydrophobicContact CG1-CZ 3.73Å; I94-F96 HydrophobicContact CG2-CD2 4.26Å; I94-F96 HydrophobicContact CG2-CE2 3.6Å; I94-F96 HydrophobicContact CG2-CZ 4.19Å; F96-L98 HydrophobicContact CB-CD1 4.27Å; F96-H145 CarbonylContact C-O 3.54Å; F96-H145 VanDerWaalsContact CA-O 3.29Å; F96-H145 WeakPolarHBondContact CA-O 3.45Å; F96-H145 HydrophobicContact CD1-CB 3.88Å; F96-H145 HydrophobicContact CE1-CB 4Å; F96-L147 HydrophobicContact CB-CD1 3.77Å; F96-L147 HydrophobicContact CB-CG 4.14Å; F96-L147 HydrophobicContact CD1-CD1 3.57Å; F96-L147 HydrophobicContact CD1-CD2 3.94Å; F96-L147 HydrophobicContact CD1-CG 3.65Å; F96-L147 HydrophobicContact CE1-CD1 4.27Å; F96-L147 HydrophobicContact CE1-CD2 4.25Å; F96-L147 HydrophobicContact CE1-CG 4.41Å; F96-L147 HydrophobicContact CG-CD1 3.7Å; F96-L147 HydrophobicContact CG-CG 4.17Å; F96-V162 HydrophobicContact CD2-CG2 4.2Å; F96-V162 HydrophobicContact CE1-CG2 4.28Å; F96-V162 HydrophobicContact CE2-CB 4.44Å; F96-V162 HydrophobicContact CE2-CG1 3.96Å; F96-V162 HydrophobicContact CE2-CG2 3.7Å; F96-V162 HydrophobicContact CZ-CG2 3.73Å
97V98.9Very high97.9Very high1 Ų143.6 Ų43.61%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-94.8105.2172.1-168.60000108.3T12 Y132 A135 V144 H145 Q146 L147T12-V97 HydrophobicContact CG2-CB 4.33Å; T12-V97 HydrophobicContact CG2-CG1 4.37Å; T12-V97 HydrophobicContact CG2-CG2 3.79Å; T12-V97 WeakPolarHBondContact O-CA 3.38Å; V97-Y132 HydrophobicContact CB-CD2 4.32Å; V97-Y132 HydrophobicContact CG1-CD2 4.48Å; V97-Y132 HydrophobicContact CG2-CD2 4.15Å; V97-A135 HydrophobicContact CG2-CB 3.67Å; V97-V144 HydrophobicContact CG2-CG1 3.99Å; V97-H145 PolarHBondContact N-O 2.81Å; V97-Q146 CarbonylContact O-C 3.6Å; V97-Q146 VanDerWaalsContact O-CA 3.29Å; V97-Q146 WeakPolarHBondContact O-CA 3.42Å; V97-L147 PolarHBondContact O-N 3.22Å
98L98.8Very high97.8Very high0 Ų046.8 Ų46.80%023%0.228CC..EExtended strand (participates in β ladder)trans-74.5132.4177.9-82.470.3000109.7L11 T12 V17 K19 L22 F96 L147L11-L98 HydrophobicContact CD2-CD1 4.42Å; T12-L98 PolarHBondContact O-N 2.73Å; V17-L98 HydrophobicContact CB-CB 4.02Å; V17-L98 HydrophobicContact CG2-CB 3.49Å; V17-L98 VanDerWaalsContact CG2-CB 3.49Å; V17-L98 HydrophobicContact CG2-CD2 4.47Å; K19-L98 HydrophobicContact CG-CD2 4.43Å; L22-L98 HydrophobicContact CB-CD2 4.39Å; L22-L98 HydrophobicContact CD2-CD1 4Å; L22-L98 HydrophobicContact CD2-CD2 3.98Å; L22-L98 HydrophobicContact CD2-CG 4.33Å; F96-L98 HydrophobicContact CB-CD1 4.27Å; L98-L147 WeakPolarHBondContact CA-O 3.45Å; L98-L147 HydrophobicContact CD1-CD1 4.41Å; L98-L147 HydrophobicContact CG-CB 4.38Å
99R98.7Very high97.8Very high42 Ų4245.2 Ų45.216%0.15822%0.218CC..EExtended strand (participates in β ladder)trans-118.7141-177.8-56.7-56.9-54.9-872110.3E126 Q146 L147 S149R99-E126 IonicContact CZ-OE1 2.75Å; R99-E126 IonicContact NE-OE1 3.51Å; R99-E126 PolarHBondContact NE-OE1 3.27Å; R99-E126 PolarHBondContact NH2-O 3.27Å; R99-E126 IonicContact NH2-OE1 3.18Å; R99-E126 PolarHBondContact NH2-OE1 2.86Å; R99-Q146 HydrophobicContact CG-CB 4.09Å; R99-Q146 HydrophobicContact CG-CG 4.28Å; R99-L147 PolarHBondContact N-O 2.78Å; R99-S149 PolarHBondContact O-N 3.26Å
100T98.4Very high97.8Very high4 Ų445.7 Ų45.73%0.02522%0.22CC..  trans-139.5135.8179.1-57.90000109.6V17 N102 N104 L105 R108 E126 S149 N150V17-T100 VanDerWaalsContact CA-OG1 3.32Å; V17-T100 WeakPolarHBondContact CA-OG1 3.46Å; V17-T100 WeakPolarHBondContact CB-OG1 3.2Å; V17-T100 PolarHBondContact O-OG1 3.17Å; T100-N102 PolarHBondContact O-N 3.47Å; T100-N104 HydrophobicContact CG2-CB 3.74Å; T100-L105 HydrophobicContact CG2-CB 4Å; T100-R108 PolarHBondContact OG1-NH1 3.42Å; T100-E126 PolarHBondContact N-OE1 3.32Å; T100-E126 WeakPolarHBondContact O-CG 3.16Å; T100-S149 PolarHBondContact OG1-O 2.93Å; T100-S149 VanDerWaalsContact OG1-O 3.09Å; T100-N150 WeakPolarHBondContact CG2-OD1 3.29Å
101D97.8Very high97.7Very high98 Ų9841.7 Ų41.752%0.52423%0.227SC..  trans-58.2138.7176.9-60.8-2.7000110.2T103 N104 L105 N150D101-T103 VanDerWaalsContact C-N 3.26Å; D101-T103 PolarHBondContact O-N 2.84Å; D101-T103 VanDerWaalsContact O-N 3.1Å; D101-N104 WeakPolarHBondContact O-CB 3.42Å; D101-N104 PolarHBondContact O-N 2.83Å; D101-L105 PolarHBondContact O-N 2.85Å; D101-N150 WeakPolarHBondContact CB-OD1 3.46Å; D101-N150 VanDerWaalsContact CG-ND2 3.3Å; D101-N150 VanDerWaalsContact CG-OD1 3.25Å; D101-N150 PolarHBondContact N-OD1 3.33Å; D101-N150 PolarHBondContact OD1-ND2 2.85Å; D101-N150 PolarHBondContact OD1-OD1 3.31Å
102N93.8Very high97.5Very high70 Ų7048.1 Ų48.137%0.37425%0.252SS..Hα-helixtrans-53.1-40.4-171.4-61-31.3000113.7T100 L105 Y106 I127T100-N102 PolarHBondContact O-N 3.47Å; N102-L105 PolarHBondContact O-N 2.92Å; N102-Y106 VanDerWaalsContact O-CB 3.23Å; N102-Y106 WeakPolarHBondContact O-CB 3.18Å; N102-Y106 PolarHBondContact O-N 3.33Å; N102-I127 WeakPolarHBondContact ND2-CG1 3.44Å; N102-I127 WeakPolarHBondContact OD1-CG1 3.13Å
103T94.3Very high97.4Very high106 Ų10650.4 Ų50.465%0.6528%0.277SS*.Hα-helixtrans-64.2-41.9179.5-50.60000111.4D101 S107D101-T103 VanDerWaalsContact C-N 3.26Å; D101-T103 PolarHBondContact O-N 2.84Å; D101-T103 VanDerWaalsContact O-N 3.1Å; T103-S107 PolarHBondContact O-N 3.39Å; T103-S107 PolarHBondContact O-OG 3.4Å
104N97.1Very high97.1Very high54 Ų5450.4 Ų50.429%0.28928%0.275SS..Hα-helixtrans-69.9-45.1178.3-69-20.5000110.4T100 D101 S107 R108 N150T100-N104 HydrophobicContact CG2-CB 3.74Å; D101-N104 WeakPolarHBondContact O-CB 3.42Å; D101-N104 PolarHBondContact O-N 2.83Å; N104-S107 PolarHBondContact O-N 2.95Å; N104-R108 VanDerWaalsContact O-CG 3.26Å; N104-R108 WeakPolarHBondContact O-CG 3.2Å; N104-R108 PolarHBondContact O-N 3.5Å; N104-N150 PolarHBondContact ND2-OD1 2.83Å; N104-N150 VanDerWaalsContact ND2-OD1 3.1Å
105L97.9Very high96.8Very high0 Ų055.5 Ų55.50%031%0.306CS..Hα-helixtrans-62.1-45.8178.7-173.962.9000111.7T14 P15 V17 T100 D101 N102 S107 R108 L109 E126T14-L105 HydrophobicContact CG2-CD2 4.05Å; P15-L105 WeakPolarHBondContact O-CD1 3.37Å; V17-L105 HydrophobicContact CG1-CD1 4.1Å; T100-L105 HydrophobicContact CG2-CB 4Å; D101-L105 PolarHBondContact O-N 2.85Å; N102-L105 PolarHBondContact O-N 2.92Å; L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 3Å; L105-R108 PolarHBondContact O-N 2.97Å; L105-L109 HydrophobicContact CD1-CD1 4.28Å; L105-L109 HydrophobicContact CD1-CG 4.28Å; L105-L109 HydrophobicContact CG-CD1 4Å; L105-L109 HydrophobicContact CG-CG 4.4Å; L105-L109 WeakPolarHBondContact O-CB 3.07Å; L105-L109 WeakPolarHBondContact O-CG 3.01Å; L105-L109 PolarHBondContact O-N 2.9Å; L105-E126 HydrophobicContact CD2-CB 3.4Å; L105-E126 VanDerWaalsContact CD2-CB 3.4Å; L105-E126 HydrophobicContact CD2-CG 3.63Å
106Y97.8Very high96.5Very high98 Ų9857.8 Ų57.838%0.38433%0.33SS..Hα-helixtrans-54.7-51175.6-178.2-79.3000110.6N102 R108 L109 E110 L119 V123N102-Y106 VanDerWaalsContact O-CB 3.23Å; N102-Y106 WeakPolarHBondContact O-CB 3.18Å; N102-Y106 PolarHBondContact O-N 3.33Å; Y106-R108 VanDerWaalsContact C-N 3.32Å; Y106-R108 PolarHBondContact O-N 3.19Å; Y106-L109 PolarHBondContact O-N 3.14Å; Y106-E110 HydrophobicContact CE1-CB 4.26Å; Y106-E110 WeakPolarHBondContact O-CB 3.41Å; Y106-E110 PolarHBondContact O-N 2.74Å; Y106-E110 PolarHBondContact OH-OE1 2.84Å; Y106-L119 HydrophobicContact CD2-CD2 4.2Å; Y106-L119 HydrophobicContact CD2-CG 4.3Å; Y106-L119 HydrophobicContact CE1-CD2 4.38Å; Y106-L119 HydrophobicContact CE2-CD2 3.5Å; Y106-L119 VanDerWaalsContact CE2-CD2 3.5Å; Y106-L119 HydrophobicContact CE2-CG 4.01Å; Y106-V123 HydrophobicContact CD2-CG2 4.13Å
107S97.2Very high96.1Very high66 Ų6662.2 Ų62.246%0.46235%0.349SS..Hα-helixtrans-62.1-39.3-178.7-54.90000112.1T103 N104 L105 G111T103-S107 PolarHBondContact O-N 3.39Å; T103-S107 PolarHBondContact O-OG 3.4Å; N104-S107 PolarHBondContact O-N 2.95Å; L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 3Å; S107-G111 PolarHBondContact O-N 3.46Å
108R97.8Very high95.8Very high75 Ų7566.2 Ų66.228%0.28337%0.367SS..Hα-helixtrans-66.2-42.8176.3-72.2172.9-176.8-175.94.5112.3G16 V17 T100 N104 L105 Y106 R112 S149 N150G16-R108 WeakPolarHBondContact O-CD 3.48Å; G16-R108 PolarHBondContact O-NH1 2.89Å; V17-R108 PolarHBondContact O-NH1 3.24Å; T100-R108 PolarHBondContact OG1-NH1 3.42Å; N104-R108 VanDerWaalsContact O-CG 3.26Å; N104-R108 WeakPolarHBondContact O-CG 3.2Å; N104-R108 PolarHBondContact O-N 3.5Å; L105-R108 PolarHBondContact O-N 2.97Å; Y106-R108 VanDerWaalsContact C-N 3.32Å; Y106-R108 PolarHBondContact O-N 3.19Å; R108-R112 WeakPolarHBondContact O-CG 3.31Å; R108-R112 PolarHBondContact O-N 3.44Å; R108-S149 VanDerWaalsContact CZ-O 3.27Å; R108-S149 PolarHBondContact NH1-O 3.4Å; R108-S149 PolarHBondContact NH2-O 3.25Å; R108-N150 VanDerWaalsContact NH2-C 3.29Å; R108-N150 PolarHBondContact NH2-O 3.06Å
109L97.1Very high95.6Very high0 Ų066.6 Ų66.60%037%0.369CS..Hα-helixtrans-70.8-43.2179.8-71.6176.7000111.6P15 L105 Y106 G111 R112 G113 Y114 L119 N122 V123P15-L109 WeakPolarHBondContact O-CD2 3.34Å; L105-L109 HydrophobicContact CD1-CD1 4.28Å; L105-L109 HydrophobicContact CD1-CG 4.28Å; L105-L109 HydrophobicContact CG-CD1 4Å; L105-L109 HydrophobicContact CG-CG 4.4Å; L105-L109 WeakPolarHBondContact O-CB 3.07Å; L105-L109 WeakPolarHBondContact O-CG 3.01Å; L105-L109 PolarHBondContact O-N 2.9Å; Y106-L109 PolarHBondContact O-N 3.14Å; L109-G111 VanDerWaalsContact C-N 3.31Å; L109-G111 PolarHBondContact O-N 3.44Å; L109-R112 WeakPolarHBondContact O-CA 3.45Å; L109-R112 WeakPolarHBondContact O-CB 3.4Å; L109-R112 PolarHBondContact O-N 3.32Å; L109-G113 PolarHBondContact O-N 2.86Å; L109-Y114 HydrophobicContact CD2-CD2 3.98Å; L109-Y114 HydrophobicContact CD2-CE2 4.11Å; L109-Y114 WeakPolarHBondContact O-CB 3.47Å; L109-Y114 PolarHBondContact O-N 2.68Å; L109-Y114 VanDerWaalsContact O-N 3.1Å; L109-L119 HydrophobicContact CB-CD1 3.33Å; L109-L119 HydrophobicContact CD1-CD1 4.21Å; L109-L119 HydrophobicContact CG-CD1 4.43Å; L109-N122 HydrophobicContact CD1-CB 3.64Å; L109-V123 HydrophobicContact CD1-CG2 4.24Å
110E96.9Very high95.4Very high104 Ų10470.6 Ų70.649%0.48639%0.389SS..Hα-helixtrans-59.4-43.2173.3-174.3177.3-110.700110.8Y106 R112 G113Y106-E110 HydrophobicContact CE1-CB 4.26Å; Y106-E110 WeakPolarHBondContact O-CB 3.41Å; Y106-E110 PolarHBondContact O-N 2.74Å; Y106-E110 PolarHBondContact OH-OE1 2.84Å; E110-R112 PolarHBondContact O-N 2.84Å; E110-G113 WeakPolarHBondContact O-CA 3.39Å; E110-G113 PolarHBondContact O-N 2.79Å
111G97.1Very high95.2Very high71 Ų7172 Ų7273%0.73240%0.396SS*.Hα-helixtrans-62.4-21.5173.900000114.7S107 L109 G113S107-G111 PolarHBondContact O-N 3.46Å; L109-G111 VanDerWaalsContact C-N 3.31Å; L109-G111 PolarHBondContact O-N 3.44Å; G111-G113 VanDerWaalsContact C-N 3.27Å
112R94.6Very high95.1Very high138 Ų13868.5 Ų68.552%0.52138%0.378SS..THydrogen-bonded Turntrans-85.33.5170.8-68.6173.1-176.3-154.4-1.5113R108 L109 E110 Y114R108-R112 WeakPolarHBondContact O-CG 3.31Å; R108-R112 PolarHBondContact O-N 3.44Å; L109-R112 WeakPolarHBondContact O-CA 3.45Å; L109-R112 WeakPolarHBondContact O-CB 3.4Å; L109-R112 PolarHBondContact O-N 3.32Å; E110-R112 PolarHBondContact O-N 2.84Å; R112-Y114 HydrophobicContact CB-CD1 4.15Å; R112-Y114 HydrophobicContact CB-CE1 4.38Å
113G95.1Very high95.3Very high56 Ų5666.1 Ų66.158%0.57737%0.366SS*.THydrogen-bonded Turntrans79.915.7-178.700000114L109 E110 G111L109-G113 PolarHBondContact O-N 2.86Å; E110-G113 WeakPolarHBondContact O-CA 3.39Å; E110-G113 PolarHBondContact O-N 2.79Å; G111-G113 VanDerWaalsContact C-N 3.27Å
114Y93.4Very high95.4Very high59 Ų5965.5 Ų65.523%0.23136%0.355CS..  trans-73.6133.3174.6-7631.2000108.6L109 R112 K118L109-Y114 HydrophobicContact CD2-CD2 3.98Å; L109-Y114 HydrophobicContact CD2-CE2 4.11Å; L109-Y114 WeakPolarHBondContact O-CB 3.47Å; L109-Y114 PolarHBondContact O-N 2.68Å; L109-Y114 VanDerWaalsContact O-N 3.1Å; R112-Y114 HydrophobicContact CB-CD1 4.15Å; R112-Y114 HydrophobicContact CB-CE1 4.38Å; Y114-K118 HydrophobicContact CD2-CD 3.95Å; Y114-K118 HydrophobicContact CD2-CG 3.86Å; Y114-K118 HydrophobicContact CE2-CD 3.92Å; Y114-K118 VanDerWaalsContact CE2-CE 3.4Å; Y114-K118 HydrophobicContact CE2-CG 4.07Å; Y114-K118 HydrophobicContact CG-CD 4.38Å
115T92.3Very high95.4Very high110 Ų11064.2 Ų64.268%0.67535%0.35SS*.  trans-138.8162.3-176.960.20000111.1
116G91.9Very high95.4Very high48 Ų4864.5 Ų64.550%0.49535%0.352SS..Hα-helixtrans58.5-137.1171.900000112.7K118 L119 Q120G116-K118 PolarHBondContact O-N 3.47Å; G116-L119 PolarHBondContact O-N 3.46Å; G116-Q120 PolarHBondContact O-N 3Å
117K91.6Very high95.4Very high107 Ų10763.7 Ų63.747%0.46535%0.353SS..Hα-helixtrans-57.9-46.4-174.3-176.1171.6178.61770112.9E53 L119 Q120 D121E53-K117 WeakPolarHBondContact OE1-CE 3.29Å; E53-K117 IonicContact OE1-NZ 2.51Å; E53-K117 PolarHBondContact OE1-NZ 3.13Å; K117-L119 VanDerWaalsContact C-N 3.28Å; K117-L119 PolarHBondContact O-N 3.22Å; K117-Q120 PolarHBondContact O-N 3.41Å; K117-Q120 VanDerWaalsContact O-N 3.08Å; K117-D121 WeakPolarHBondContact CE-OD2 3.32Å; K117-D121 WeakPolarHBondContact CG-OD2 3.39Å; K117-D121 WeakPolarHBondContact O-CB 3.37Å; K117-D121 VanDerWaalsContact O-CG 3.22Å; K117-D121 PolarHBondContact O-N 3.45Å
118K91.6Very high95.4Very high84 Ų8466.8 Ų66.837%0.36536%0.358SS..Hα-helixtrans-56.2-40.9179.6-170.4177.2-171.2173.80112.7Y114 G116 N122Y114-K118 HydrophobicContact CD2-CD 3.95Å; Y114-K118 HydrophobicContact CD2-CG 3.86Å; Y114-K118 HydrophobicContact CE2-CD 3.92Å; Y114-K118 VanDerWaalsContact CE2-CE 3.4Å; Y114-K118 HydrophobicContact CE2-CG 4.07Å; Y114-K118 HydrophobicContact CG-CD 4.38Å; G116-K118 PolarHBondContact O-N 3.47Å; K118-N122 PolarHBondContact O-N 3.46Å; K118-N122 PolarHBondContact O-ND2 2.91Å
119L94.5Very high95.5Very high8 Ų866.8 Ų66.84%0.04236%0.362CS..Hα-helixtrans-66.3-46.6177.5-179.866.2000111.1Y106 L109 G116 K117 V123Y106-L119 HydrophobicContact CD2-CD2 4.2Å; Y106-L119 HydrophobicContact CD2-CG 4.3Å; Y106-L119 HydrophobicContact CE1-CD2 4.38Å; Y106-L119 HydrophobicContact CE2-CD2 3.5Å; Y106-L119 VanDerWaalsContact CE2-CD2 3.5Å; Y106-L119 HydrophobicContact CE2-CG 4.01Å; L109-L119 HydrophobicContact CB-CD1 3.33Å; L109-L119 HydrophobicContact CD1-CD1 4.21Å; L109-L119 HydrophobicContact CG-CD1 4.43Å; G116-L119 PolarHBondContact O-N 3.46Å; K117-L119 VanDerWaalsContact C-N 3.28Å; K117-L119 PolarHBondContact O-N 3.22Å; L119-V123 WeakPolarHBondContact O-CG2 3.48Å; L119-V123 PolarHBondContact O-N 3.21Å; L119-V123 VanDerWaalsContact O-N 3.11Å
120Q94.8Very high95.5Very high127 Ų12769.7 Ų69.759%0.59338%0.38SS*.Hα-helixtrans-62.2-46.9179.5-69.1179.4-23.500111.8G116 K117 N122 V123 Q124G116-Q120 PolarHBondContact O-N 3Å; K117-Q120 PolarHBondContact O-N 3.41Å; K117-Q120 VanDerWaalsContact O-N 3.08Å; Q120-N122 VanDerWaalsContact C-N 3.34Å; Q120-N122 PolarHBondContact O-N 3.46Å; Q120-V123 PolarHBondContact O-N 3.03Å; Q120-Q124 WeakPolarHBondContact O-CB 3.34Å; Q120-Q124 WeakPolarHBondContact O-CG 3.22Å; Q120-Q124 PolarHBondContact O-N 3.23Å
121D95.3Very high95.6Very high33 Ų3365.3 Ų65.318%0.17636%0.359CS..Hα-helixtrans-61.5-41.9-178.4-66.61.1000111.4Y54 K117 Q124 C125Y54-D121 HydrophobicContact CE1-CB 4.5Å; Y54-D121 WeakPolarHBondContact CE1-OD2 3.45Å; Y54-D121 PolarHBondContact OH-OD2 3.11Å; K117-D121 WeakPolarHBondContact CE-OD2 3.32Å; K117-D121 WeakPolarHBondContact CG-OD2 3.39Å; K117-D121 WeakPolarHBondContact O-CB 3.37Å; K117-D121 VanDerWaalsContact O-CG 3.22Å; K117-D121 PolarHBondContact O-N 3.45Å; D121-Q124 PolarHBondContact O-N 3.25Å; D121-C125 WeakPolarHBondContact O-CB 3.49Å; D121-C125 PolarHBondContact O-N 3.46Å
122N95.9Very high95.7Very high24 Ų2464.7 Ų64.713%0.12834%0.335CS..Hα-helixtrans-68.4-39.5177.2-80.2-86.9000112.1T14 P15 L109 K118 Q120 Q124 C125 E126T14-N122 HydrophobicContact CG2-CB 4.44Å; T14-N122 WeakPolarHBondContact CG2-O 3.42Å; P15-N122 WeakPolarHBondContact CB-OD1 3.34Å; P15-N122 WeakPolarHBondContact CD-OD1 3.37Å; P15-N122 WeakPolarHBondContact CG-OD1 3.37Å; L109-N122 HydrophobicContact CD1-CB 3.64Å; K118-N122 PolarHBondContact O-N 3.46Å; K118-N122 PolarHBondContact O-ND2 2.91Å; Q120-N122 VanDerWaalsContact C-N 3.34Å; Q120-N122 PolarHBondContact O-N 3.46Å; N122-Q124 VanDerWaalsContact C-N 3.34Å; N122-C125 WeakPolarHBondContact O-CB 3.29Å; N122-C125 PolarHBondContact O-N 2.51Å; N122-E126 PolarHBondContact O-N 2.66Å
123V96.8Very high95.8Very high20 Ų2063.3 Ų63.312%0.12134%0.335CS..Hα-helixtrans-67.1-37.9175.5172.90000111Y106 L109 L119 Q120 E126 I127Y106-V123 HydrophobicContact CD2-CG2 4.13Å; L109-V123 HydrophobicContact CD1-CG2 4.24Å; L119-V123 WeakPolarHBondContact O-CG2 3.48Å; L119-V123 PolarHBondContact O-N 3.21Å; L119-V123 VanDerWaalsContact O-N 3.11Å; Q120-V123 PolarHBondContact O-N 3.03Å; V123-E126 PolarHBondContact O-N 3.35Å; V123-I127 HydrophobicContact CG1-CD1 3.9Å; V123-I127 VanDerWaalsContact O-CG1 3.27Å; V123-I127 WeakPolarHBondContact O-CG1 3.34Å; V123-I127 PolarHBondContact O-N 2.81Å
124Q97.3Very high96Very high93 Ų9362.4 Ų62.444%0.43532%0.315SS..Hα-helixtrans-65.5-40.1174.2-75-178.1-45.500112.3Q120 D121 N122 E126 I127 F128Q120-Q124 WeakPolarHBondContact O-CB 3.34Å; Q120-Q124 WeakPolarHBondContact O-CG 3.22Å; Q120-Q124 PolarHBondContact O-N 3.23Å; D121-Q124 PolarHBondContact O-N 3.25Å; N122-Q124 VanDerWaalsContact C-N 3.34Å; Q124-E126 VanDerWaalsContact C-N 3.28Å; Q124-E126 PolarHBondContact O-N 2.69Å; Q124-I127 PolarHBondContact O-N 3.34Å; Q124-I127 VanDerWaalsContact O-N 3.17Å; Q124-F128 HydrophobicContact CB-CD2 4.22Å; Q124-F128 HydrophobicContact CB-CE2 4.04Å; Q124-F128 HydrophobicContact CG-CE2 4.46Å; Q124-F128 WeakPolarHBondContact O-CB 3.42Å; Q124-F128 WeakPolarHBondContact O-CD2 3.25Å; Q124-F128 WeakPolarHBondContact O-CG 3.44Å; Q124-F128 PolarHBondContact O-N 2.88Å
125C97.1Very high96.3Very high27 Ų2759.6 Ų59.618%0.18230%0.304CS..Hα-helixtrans-54.8-44.2173.7-177.90000111.6T14 D121 N122 Q129 T130T14-C125 HydrophobicContact CG2-CB 4.23Å; D121-C125 WeakPolarHBondContact O-CB 3.49Å; D121-C125 PolarHBondContact O-N 3.46Å; N122-C125 WeakPolarHBondContact O-CB 3.29Å; N122-C125 PolarHBondContact O-N 2.51Å; C125-Q129 PolarHBondContact O-N 3.38Å; C125-Q129 VanDerWaalsContact O-N 3.08Å; C125-T130 PolarHBondContact O-N 3.36Å; C125-T130 VanDerWaalsContact O-N 3.14Å; C125-T130 PolarHBondContact O-OG1 3.39Å
126E98.1Very high96.6Very high6 Ų656.8 Ų56.83%0.02828%0.284CS..Hα-helixtrans-67.7-42.4175.4-17662.6-154.500112.8T14 R99 T100 L105 N122 V123 Q124 F128 Q129T14-E126 VanDerWaalsContact CB-OE2 3.25Å; T14-E126 WeakPolarHBondContact CB-OE2 3.31Å; T14-E126 HydrophobicContact CG2-CB 4.19Å; T14-E126 PolarHBondContact OG1-OE2 3.23Å; R99-E126 IonicContact CZ-OE1 2.75Å; R99-E126 IonicContact NE-OE1 3.51Å; R99-E126 PolarHBondContact NE-OE1 3.27Å; R99-E126 PolarHBondContact NH2-O 3.27Å; R99-E126 IonicContact NH2-OE1 3.18Å; R99-E126 PolarHBondContact NH2-OE1 2.86Å; T100-E126 PolarHBondContact N-OE1 3.32Å; T100-E126 WeakPolarHBondContact O-CG 3.16Å; L105-E126 HydrophobicContact CD2-CB 3.4Å; L105-E126 VanDerWaalsContact CD2-CB 3.4Å; L105-E126 HydrophobicContact CD2-CG 3.63Å; N122-E126 PolarHBondContact O-N 2.66Å; V123-E126 PolarHBondContact O-N 3.35Å; Q124-E126 VanDerWaalsContact C-N 3.28Å; Q124-E126 PolarHBondContact O-N 2.69Å; E126-F128 VanDerWaalsContact C-N 3.32Å; E126-F128 PolarHBondContact O-N 2.86Å; E126-Q129 PolarHBondContact O-N 2.61Å; E126-Q129 VanDerWaalsContact O-N 3.09Å
127I97.3Very high96.9Very high82 Ų8262.5 Ų62.542%0.42130%0.298SS..Hα-helixtrans-60-44.3178.9-71.7165.1000111N102 V123 Q124 Q129N102-I127 WeakPolarHBondContact ND2-CG1 3.44Å; N102-I127 WeakPolarHBondContact OD1-CG1 3.13Å; V123-I127 HydrophobicContact CG1-CD1 3.9Å; V123-I127 VanDerWaalsContact O-CG1 3.27Å; V123-I127 WeakPolarHBondContact O-CG1 3.34Å; V123-I127 PolarHBondContact O-N 2.81Å; Q124-I127 PolarHBondContact O-N 3.34Å; Q124-I127 VanDerWaalsContact O-N 3.17Å; I127-Q129 PolarHBondContact O-N 3.21Å
128F97.9Very high97.2Very high130 Ų13058.8 Ų58.857%0.5729%0.288SS*.Hα-helixtrans-80.5-4179-62.2-45.6000113.1Q124 E126 T130Q124-F128 HydrophobicContact CB-CD2 4.22Å; Q124-F128 HydrophobicContact CB-CE2 4.04Å; Q124-F128 HydrophobicContact CG-CE2 4.46Å; Q124-F128 WeakPolarHBondContact O-CB 3.42Å; Q124-F128 WeakPolarHBondContact O-CD2 3.25Å; Q124-F128 WeakPolarHBondContact O-CG 3.44Å; Q124-F128 PolarHBondContact O-N 2.88Å; E126-F128 VanDerWaalsContact C-N 3.32Å; E126-F128 PolarHBondContact O-N 2.86Å; F128-T130 PolarHBondContact O-N 3.37Å
129Q98.1Very high97.5Very high76 Ų7655.2 Ų55.236%0.35527%0.272SS..THydrogen-bonded Turntrans5928.3178.5-35.1-169.746.500112.6C125 E126 I127 I131 Y132 E133C125-Q129 PolarHBondContact O-N 3.38Å; C125-Q129 VanDerWaalsContact O-N 3.08Å; E126-Q129 PolarHBondContact O-N 2.61Å; E126-Q129 VanDerWaalsContact O-N 3.09Å; I127-Q129 PolarHBondContact O-N 3.21Å; Q129-I131 VanDerWaalsContact C-N 3.28Å; Q129-I131 PolarHBondContact O-N 3.25Å; Q129-I131 VanDerWaalsContact O-N 3.17Å; Q129-Y132 HydrophobicContact CB-CD1 4.44Å; Q129-Y132 WeakPolarHBondContact O-CA 3.21Å; Q129-Y132 WeakPolarHBondContact O-CB 3.41Å; Q129-Y132 PolarHBondContact O-N 2.88Å; Q129-E133 PolarHBondContact O-N 3.45Å
130T98.3Very high97.7Very high61 Ų6160 Ų6037%0.37429%0.292SS..Hα-helixtrans-51.4-47.8-171-52.70000111.7C125 F128 Y132 E133 E134C125-T130 PolarHBondContact O-N 3.36Å; C125-T130 VanDerWaalsContact O-N 3.14Å; C125-T130 PolarHBondContact O-OG1 3.39Å; F128-T130 PolarHBondContact O-N 3.37Å; T130-Y132 VanDerWaalsContact C-N 3.32Å; T130-Y132 PolarHBondContact O-N 3.38Å; T130-E133 PolarHBondContact O-N 2.97Å; T130-E134 WeakPolarHBondContact O-CB 3.28Å; T130-E134 PolarHBondContact O-N 2.97Å
131I98.4Very high97.9Very high11 Ų1160.7 Ų60.76%0.05630%0.296CS..Hα-helixtrans-71.7-27-178.3-54.4-50000112.8T12 H82 Q129 A135T12-I131 HydrophobicContact CG2-CG2 4.04Å; T12-I131 VanDerWaalsContact OG1-CG2 3.23Å; T12-I131 WeakPolarHBondContact OG1-CG2 3.39Å; H82-I131 VanDerWaalsContact O-CD1 3.27Å; H82-I131 WeakPolarHBondContact O-CD1 3.48Å; H82-I131 WeakPolarHBondContact O-CG2 3.23Å; Q129-I131 VanDerWaalsContact C-N 3.28Å; Q129-I131 PolarHBondContact O-N 3.25Å; Q129-I131 VanDerWaalsContact O-N 3.17Å; I131-A135 WeakPolarHBondContact O-CB 3.45Å; I131-A135 PolarHBondContact O-N 3.04Å; I131-A135 VanDerWaalsContact O-N 3.11Å
132Y98.7Very high98Very high58 Ų5865.2 Ų65.223%0.22732%0.315CS..Hα-helixtrans-71.1-44.6173.6171.8-112.9000111V97 Q129 T130 A135 M136 V144 Q146V97-Y132 HydrophobicContact CB-CD2 4.32Å; V97-Y132 HydrophobicContact CG1-CD2 4.48Å; V97-Y132 HydrophobicContact CG2-CD2 4.15Å; Q129-Y132 HydrophobicContact CB-CD1 4.44Å; Q129-Y132 WeakPolarHBondContact O-CA 3.21Å; Q129-Y132 WeakPolarHBondContact O-CB 3.41Å; Q129-Y132 PolarHBondContact O-N 2.88Å; T130-Y132 VanDerWaalsContact C-N 3.32Å; T130-Y132 PolarHBondContact O-N 3.38Å; Y132-A135 PolarHBondContact O-N 3.34Å; Y132-M136 HydrophobicContact CD2-CG 4.16Å; Y132-M136 HydrophobicContact CE1-CG 4.15Å; Y132-M136 HydrophobicContact CE2-CG 3.67Å; Y132-M136 HydrophobicContact CE2-SD 3.9Å; Y132-M136 VanDerWaalsContact O-CG 3.26Å; Y132-M136 WeakPolarHBondContact O-CG 3.16Å; Y132-M136 PolarHBondContact O-N 2.75Å; Y132-V144 HydrophobicContact CE2-CG1 4.39Å; Y132-Q146 HydrophobicContact CD2-CG 3.52Å; Y132-Q146 VanDerWaalsContact CE2-CD 3.47Å; Y132-Q146 HydrophobicContact CE2-CG 3.44Å; Y132-Q146 VanDerWaalsContact CE2-CG 3.44Å; Y132-Q146 VanDerWaalsContact CE2-NE2 3.33Å; Y132-Q146 HydrophobicContact CG-CG 4.36Å; Y132-Q146 PolarHBondContact OH-NE2 2.84Å
133E98.6Very high98.1Very high109 Ų10965.7 Ų65.751%0.50932%0.318SS..Hα-helixtrans-61.7-45.1175.8-66.8-176.517000110.9Q129 T130 A135 M136 E137Q129-E133 PolarHBondContact O-N 3.45Å; T130-E133 PolarHBondContact O-N 2.97Å; E133-A135 VanDerWaalsContact C-N 3.35Å; E133-A135 PolarHBondContact O-N 3.18Å; E133-M136 WeakPolarHBondContact O-CB 3.25Å; E133-M136 PolarHBondContact O-N 2.88Å; E133-M136 VanDerWaalsContact O-N 3.09Å; E133-E137 WeakPolarHBondContact O-CG 3.45Å; E133-E137 PolarHBondContact O-N 3.38Å
134E98.6Very high98.2Very high37 Ų3765.2 Ų65.217%0.17332%0.315CS..Hα-helixtrans-55.6-46.4175-169.5-171.9112.600112.2G83 C84 D85 T130 M136 E137 A138G83-E134 VanDerWaalsContact CA-OE1 3.29Å; G83-E134 WeakPolarHBondContact CA-OE1 3.26Å; C84-E134 PolarHBondContact N-OE1 3.09Å; C84-E134 PolarHBondContact SG-OE1 3.08Å; D85-E134 HydrophobicContact CB-CG 3.9Å; D85-E134 PolarHBondContact N-OE1 3.45Å; T130-E134 WeakPolarHBondContact O-CB 3.28Å; T130-E134 PolarHBondContact O-N 2.97Å; E134-M136 VanDerWaalsContact C-N 3.33Å; E134-M136 PolarHBondContact O-N 3.45Å; E134-E137 PolarHBondContact O-N 3.17Å; E134-A138 VanDerWaalsContact O-CB 3.31Å; E134-A138 WeakPolarHBondContact O-CB 3.49Å; E134-A138 PolarHBondContact O-N 2.86Å
135A98.6Very high98.3Very high0 Ų064.5 Ų64.50%031%0.311CS..Hα-helixtrans-64.9-36.2177.100000112.8T12 V95 V97 I131 Y132 E133 E137 Y139 V144T12-A135 HydrophobicContact CG2-CB 4.37Å; V95-A135 HydrophobicContact CG1-CB 4.35Å; V97-A135 HydrophobicContact CG2-CB 3.67Å; I131-A135 WeakPolarHBondContact O-CB 3.45Å; I131-A135 PolarHBondContact O-N 3.04Å; I131-A135 VanDerWaalsContact O-N 3.11Å; Y132-A135 PolarHBondContact O-N 3.34Å; E133-A135 VanDerWaalsContact C-N 3.35Å; E133-A135 PolarHBondContact O-N 3.18Å; A135-E137 VanDerWaalsContact C-N 3.31Å; A135-Y139 WeakPolarHBondContact O-CB 3.32Å; A135-Y139 WeakPolarHBondContact O-CD2 3.41Å; A135-Y139 PolarHBondContact O-N 2.95Å; A135-V144 HydrophobicContact CB-CG1 4.09Å
136M98.5Very high98.4Very high52 Ų5267.1 Ų67.126%0.25632%0.321SS..Hα-helixtrans-71-27.1177.1-70.9-69.3-58.500112.8Y132 E133 E134 E141 V144Y132-M136 HydrophobicContact CD2-CG 4.16Å; Y132-M136 HydrophobicContact CE1-CG 4.15Å; Y132-M136 HydrophobicContact CE2-CG 3.67Å; Y132-M136 HydrophobicContact CE2-SD 3.9Å; Y132-M136 VanDerWaalsContact O-CG 3.26Å; Y132-M136 WeakPolarHBondContact O-CG 3.16Å; Y132-M136 PolarHBondContact O-N 2.75Å; E133-M136 WeakPolarHBondContact O-CB 3.25Å; E133-M136 PolarHBondContact O-N 2.88Å; E133-M136 VanDerWaalsContact O-N 3.09Å; E134-M136 VanDerWaalsContact C-N 3.33Å; E134-M136 PolarHBondContact O-N 3.45Å; M136-E141 HydrophobicContact CE-CB 3.91Å; M136-E141 HydrophobicContact CE-CG 3.63Å; M136-V144 HydrophobicContact CG-CG1 4.35Å; M136-V144 HydrophobicContact SD-CB 3.93Å; M136-V144 HydrophobicContact SD-CG1 3.81Å
137E98.3Very high98.4Very high168 Ų16867.1 Ų67.179%0.78532%0.321SS*.Hα-helixtrans-81.5-37.3175-70.7-178.2178.500112.1E133 E134 A135E133-E137 WeakPolarHBondContact O-CG 3.45Å; E133-E137 PolarHBondContact O-N 3.38Å; E134-E137 PolarHBondContact O-N 3.17Å; A135-E137 VanDerWaalsContact C-N 3.31Å
138A98.1Very high98.5Very high29 Ų2966 Ų6624%0.2432%0.319CS..Hα-helixtrans-82.3-26.2-176.200000114.1D85 E134D85-A138 HydrophobicContact CB-CB 4.47Å; E134-A138 VanDerWaalsContact O-CB 3.31Å; E134-A138 WeakPolarHBondContact O-CB 3.49Å; E134-A138 PolarHBondContact O-N 2.86Å
139Y98.6Very high98.5Very high9 Ų960.2 Ų60.24%0.03530%0.295CS..SBendtrans-129.5161.1-174.8-57-82.2000112.1L10 C84 E89 F92 V95 A135 E141 I143L10-Y139 HydrophobicContact CD2-CE2 3.99Å; C84-Y139 HydrophobicContact CB-CE2 3.93Å; C84-Y139 PolarHBondContact O-OH 2.99Å; E89-Y139 HydrophobicContact CG-CD1 4.11Å; F92-Y139 AromaticContact CD2-CE1 3.65Å; F92-Y139 HydrophobicContact CD2-CE1 3.65Å; F92-Y139 AromaticContact CD2-CZ 3.89Å; F92-Y139 HydrophobicContact CE2-CE1 4.36Å; F92-Y139 WeakPolarHBondContact CE2-OH 3.37Å; V95-Y139 HydrophobicContact CG1-CD2 4.5Å; V95-Y139 HydrophobicContact CG2-CD1 3.97Å; V95-Y139 HydrophobicContact CG2-CD2 3.95Å; V95-Y139 HydrophobicContact CG2-CE1 4.28Å; V95-Y139 HydrophobicContact CG2-CE2 4.29Å; V95-Y139 HydrophobicContact CG2-CG 3.8Å; A135-Y139 WeakPolarHBondContact O-CB 3.32Å; A135-Y139 WeakPolarHBondContact O-CD2 3.41Å; A135-Y139 PolarHBondContact O-N 2.95Å; Y139-E141 PolarHBondContact O-N 3.33Å; Y139-I143 HydrophobicContact CD1-CD1 4.42Å
140K98.5Very high98.5Very high109 Ų10957.9 Ų57.947%0.47429%0.285SS..  trans-65.6134.1175.8-53.1-177.6-176.1169.20111E89 E142 I143E89-K140 VanDerWaalsContact OE1-CE 3.22Å; E89-K140 WeakPolarHBondContact OE1-CE 3.29Å; E89-K140 WeakPolarHBondContact OE1-CG 3.49Å; K140-E142 VanDerWaalsContact CB-CD 3.46Å; K140-E142 HydrophobicContact CB-CG 4.39Å; K140-E142 WeakPolarHBondContact CB-OE2 3.46Å; K140-E142 WeakPolarHBondContact CD-OE1 3.38Å; K140-E142 PolarHBondContact O-N 3.1Å; K140-I143 HydrophobicContact CB-CG1 4.46Å; K140-I143 VanDerWaalsContact O-CG1 3.24Å; K140-I143 WeakPolarHBondContact O-CG1 3.49Å; K140-I143 PolarHBondContact O-N 3.31Å
141E98.1Very high98.4Very high141 Ų14160.6 Ų60.666%0.65929%0.293SS*.G310 helixtrans-50.8-36.6-179.1176.8171.8-172.900112.6M136 Y139 I143 V144M136-E141 HydrophobicContact CE-CB 3.91Å; M136-E141 HydrophobicContact CE-CG 3.63Å; Y139-E141 PolarHBondContact O-N 3.33Å; E141-I143 PolarHBondContact O-N 3.22Å; E141-V144 PolarHBondContact O-N 3.42Å
142E98.2Very high98.3Very high127 Ų12764.5 Ų64.559%0.59332%0.319SS*.G310 helixtrans-67.8-16.4-17868.2-91.6-158.600115.4K140 H145K140-E142 VanDerWaalsContact CB-CD 3.46Å; K140-E142 HydrophobicContact CB-CG 4.39Å; K140-E142 WeakPolarHBondContact CB-OE2 3.46Å; K140-E142 WeakPolarHBondContact CD-OE1 3.38Å; K140-E142 PolarHBondContact O-N 3.1Å; E142-H145 PolarHBondContact O-NE2 3.08Å
143I98.4Very high98.3Very high34 Ų3467.2 Ų67.217%0.17433%0.334CS..G310 helixtrans-107.5-3.7178.470.3164.3000113.3I94 V95 Y139 K140 E141I94-I143 WeakPolarHBondContact CG1-O 3.42Å; V95-I143 HydrophobicContact CG2-CD1 4.39Å; V95-I143 PolarHBondContact N-O 2.62Å; Y139-I143 HydrophobicContact CD1-CD1 4.42Å; K140-I143 HydrophobicContact CB-CG1 4.46Å; K140-I143 VanDerWaalsContact O-CG1 3.24Å; K140-I143 WeakPolarHBondContact O-CG1 3.49Å; K140-I143 PolarHBondContact O-N 3.31Å; E141-I143 PolarHBondContact O-N 3.22Å
144V98.8Very high98.3Very high11 Ų1162.9 Ų62.97%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-98.1120.6-179.6-1780000109.4V95 V97 Y132 A135 M136 E141V95-V144 HydrophobicContact CB-CG2 4.26Å; V95-V144 WeakPolarHBondContact O-CA 3.42Å; V97-V144 HydrophobicContact CG2-CG1 3.99Å; Y132-V144 HydrophobicContact CE2-CG1 4.39Å; A135-V144 HydrophobicContact CB-CG1 4.09Å; M136-V144 HydrophobicContact CG-CG1 4.35Å; M136-V144 HydrophobicContact SD-CB 3.93Å; M136-V144 HydrophobicContact SD-CG1 3.81Å; E141-V144 PolarHBondContact O-N 3.42Å
145H98.8Very high98.3Very high78 Ų7862.8 Ų62.836%0.36132%0.315SS..EExtended strand (participates in β ladder)trans-131.1137.4-178.9-55.7-67000111.6V95 F96 V97 E142V95-H145 PolarHBondContact O-N 3.08Å; F96-H145 CarbonylContact C-O 3.54Å; F96-H145 VanDerWaalsContact CA-O 3.29Å; F96-H145 WeakPolarHBondContact CA-O 3.45Å; F96-H145 HydrophobicContact CD1-CB 3.88Å; F96-H145 HydrophobicContact CE1-CB 4Å; V97-H145 PolarHBondContact N-O 2.81Å; E142-H145 PolarHBondContact O-NE2 3.08Å
146Q98.8Very high98.3Very high82 Ų8268.5 Ų68.538%0.38334%0.342SS..EExtended strand (participates in β ladder)trans-86.7135.3173.7-63.9-177.772.700110.5V97 R99 Y132V97-Q146 CarbonylContact O-C 3.6Å; V97-Q146 VanDerWaalsContact O-CA 3.29Å; V97-Q146 WeakPolarHBondContact O-CA 3.42Å; R99-Q146 HydrophobicContact CG-CB 4.09Å; R99-Q146 HydrophobicContact CG-CG 4.28Å; Y132-Q146 HydrophobicContact CD2-CG 3.52Å; Y132-Q146 VanDerWaalsContact CE2-CD 3.47Å; Y132-Q146 HydrophobicContact CE2-CG 3.44Å; Y132-Q146 VanDerWaalsContact CE2-CG 3.44Å; Y132-Q146 VanDerWaalsContact CE2-NE2 3.33Å; Y132-Q146 HydrophobicContact CG-CG 4.36Å; Y132-Q146 PolarHBondContact OH-NE2 2.84Å
147L98.8Very high98.3Very high6 Ų670.9 Ų70.93%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-116.9118.6174.3-64.1-176.3000110.3L22 F96 V97 L98 R99 N158 V162L22-L147 HydrophobicContact CD2-CD1 4.13Å; F96-L147 HydrophobicContact CB-CD1 3.77Å; F96-L147 HydrophobicContact CB-CG 4.14Å; F96-L147 HydrophobicContact CD1-CD1 3.57Å; F96-L147 HydrophobicContact CD1-CD2 3.94Å; F96-L147 HydrophobicContact CD1-CG 3.65Å; F96-L147 HydrophobicContact CE1-CD1 4.27Å; F96-L147 HydrophobicContact CE1-CD2 4.25Å; F96-L147 HydrophobicContact CE1-CG 4.41Å; F96-L147 HydrophobicContact CG-CD1 3.7Å; F96-L147 HydrophobicContact CG-CG 4.17Å; V97-L147 PolarHBondContact O-N 3.22Å; L98-L147 WeakPolarHBondContact CA-O 3.45Å; L98-L147 HydrophobicContact CD1-CD1 4.41Å; L98-L147 HydrophobicContact CG-CB 4.38Å; R99-L147 PolarHBondContact N-O 2.78Å; L147-N158 HydrophobicContact CD1-CB 4.25Å; L147-V162 HydrophobicContact CD1-CG2 4.23Å
148P98.6Very high98.3Very high57 Ų5763 Ų6337%0.3731%0.311SS..EExtended strand (participates in β ladder)trans-59.2139.2168.5-1930.9000110.2D154 N158P148-D154 WeakPolarHBondContact O-CB 3.36Å; P148-N158 PolarHBondContact O-ND2 3.3Å
149S98.6Very high98.3Very high9 Ų961.6 Ų61.66%0.06330%0.299CS..  trans-146.158.8-179.2-161.60000111.5V17 R99 T100 R108V17-S149 VanDerWaalsContact O-CB 3.24Å; V17-S149 WeakPolarHBondContact O-CB 3.36Å; V17-S149 PolarHBondContact O-OG 3.41Å; R99-S149 PolarHBondContact O-N 3.26Å; T100-S149 PolarHBondContact OG1-O 2.93Å; T100-S149 VanDerWaalsContact OG1-O 3.09Å; R108-S149 VanDerWaalsContact CZ-O 3.27Å; R108-S149 PolarHBondContact NH1-O 3.4Å; R108-S149 PolarHBondContact NH2-O 3.25Å
150N98.1Very high98.3Very high27 Ų2766.8 Ų66.814%0.14432%0.324CS..SBendtrans-96.7-43.5-177.5-73.9-56.4000112.4T100 D101 N104 R108 D154T100-N150 WeakPolarHBondContact CG2-OD1 3.29Å; D101-N150 WeakPolarHBondContact CB-OD1 3.46Å; D101-N150 VanDerWaalsContact CG-ND2 3.3Å; D101-N150 VanDerWaalsContact CG-OD1 3.25Å; D101-N150 PolarHBondContact N-OD1 3.33Å; D101-N150 PolarHBondContact OD1-ND2 2.85Å; D101-N150 PolarHBondContact OD1-OD1 3.31Å; N104-N150 PolarHBondContact ND2-OD1 2.83Å; N104-N150 VanDerWaalsContact ND2-OD1 3.1Å; R108-N150 VanDerWaalsContact NH2-C 3.29Å; R108-N150 PolarHBondContact NH2-O 3.06Å; N150-D154 WeakPolarHBondContact CA-OD2 3.24Å; N150-D154 WeakPolarHBondContact CB-OD2 3.33Å; N150-D154 PolarHBondContact N-OD2 3.35Å
151E96.7Very high98.3Very high119 Ų11966.1 Ų66.156%0.55632%0.323SS*.SBendtrans-126.5162-170.5-59.5-177.3163.800111.4E153 D154 L155E151-E153 WeakPolarHBondContact CB-OE2 3.32Å; E151-E153 PolarHBondContact O-N 3.21Å; E151-D154 PolarHBondContact N-OD2 2.99Å; E151-D154 VanDerWaalsContact N-OD2 3.07Å; E151-D154 WeakPolarHBondContact O-CB 3.45Å; E151-D154 PolarHBondContact O-N 3.11Å; E151-L155 PolarHBondContact O-N 2.91Å
152P96.7Very high98.3Very high92 Ų9259.4 Ų59.460%0.59729%0.291SS*.Hα-helixtrans-54-34.7175.5-27.236.6000113.8D154 L155 E156P152-D154 VanDerWaalsContact C-N 3.28Å; P152-D154 PolarHBondContact O-N 3.09Å; P152-L155 WeakPolarHBondContact O-CB 3.24Å; P152-L155 PolarHBondContact O-N 2.8Å; P152-L155 VanDerWaalsContact O-N 3.08Å; P152-E156 PolarHBondContact O-N 2.81Å
153E98.1Very high98.3Very high116 Ų11654.7 Ų54.754%0.54227%0.271SS..Hα-helixtrans-63.9-34177.2-65.474.2-168.100111.7E151 R157E151-E153 WeakPolarHBondContact CB-OE2 3.32Å; E151-E153 PolarHBondContact O-N 3.21Å; E153-R157 WeakPolarHBondContact O-CB 3.45Å; E153-R157 PolarHBondContact O-N 3.34Å
154D98.4Very high98.4Very high18 Ų1858.9 Ų58.910%0.09629%0.29CS..Hα-helixtrans-65.5-41.5172.3-68-41.1000110.8P148 N150 E151 P152 R157 N158P148-D154 WeakPolarHBondContact O-CB 3.36Å; N150-D154 WeakPolarHBondContact CA-OD2 3.24Å; N150-D154 WeakPolarHBondContact CB-OD2 3.33Å; N150-D154 PolarHBondContact N-OD2 3.35Å; E151-D154 PolarHBondContact N-OD2 2.99Å; E151-D154 VanDerWaalsContact N-OD2 3.07Å; E151-D154 WeakPolarHBondContact O-CB 3.45Å; E151-D154 PolarHBondContact O-N 3.11Å; P152-D154 VanDerWaalsContact C-N 3.28Å; P152-D154 PolarHBondContact O-N 3.09Å; D154-R157 PolarHBondContact O-N 3.47Å; D154-R157 IonicContact OD1-CZ 3.42Å; D154-R157 IonicContact OD1-NH1 3.59Å; D154-R157 IonicContact OD1-NH2 3.42Å; D154-R157 PolarHBondContact OD1-NH2 3.43Å; D154-N158 VanDerWaalsContact O-CB 3.25Å; D154-N158 WeakPolarHBondContact O-CB 3.45Å; D154-N158 PolarHBondContact O-N 3.37Å; D154-N158 PolarHBondContact O-ND2 3.49Å; D154-N158 VanDerWaalsContact O-ND2 3.15Å; D154-N158 PolarHBondContact O-OD1 2.76Å
155L98.1Very high98.3Very high34 Ų3461.8 Ų61.818%0.17830%0.299CS..Hα-helixtrans-60.9-48.2176.8172.364.2000111T21 L22 E151 P152 R157 N158 L159T21-L155 HydrophobicContact CG2-CD1 4.48Å; T21-L155 HydrophobicContact CG2-CD2 3.88Å; L22-L155 HydrophobicContact CB-CD1 4.13Å; L22-L155 HydrophobicContact CD1-CD1 3.87Å; E151-L155 PolarHBondContact O-N 2.91Å; P152-L155 WeakPolarHBondContact O-CB 3.24Å; P152-L155 PolarHBondContact O-N 2.8Å; P152-L155 VanDerWaalsContact O-N 3.08Å; L155-R157 PolarHBondContact O-N 3.2Å; L155-N158 PolarHBondContact O-N 3.15Å; L155-L159 HydrophobicContact CD1-CD1 3.9Å; L155-L159 HydrophobicContact CD1-CG 4.1Å; L155-L159 HydrophobicContact CG-CD1 3.87Å; L155-L159 HydrophobicContact CG-CG 4.5Å; L155-L159 WeakPolarHBondContact O-CB 3.27Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.48Å; L155-L159 PolarHBondContact O-N 3.5Å
156E98.2Very high98.3Very high121 Ų12158.6 Ų58.657%0.56529%0.285SS*.Hα-helixtrans-59.4-47.7177.8-70-175.4170.300111.5P152 N158 L159 E160P152-E156 PolarHBondContact O-N 2.81Å; E156-N158 PolarHBondContact O-N 3.08Å; E156-L159 WeakPolarHBondContact O-CB 3.41Å; E156-L159 PolarHBondContact O-N 2.95Å; E156-E160 WeakPolarHBondContact O-CG 3.48Å; E156-E160 PolarHBondContact O-N 2.81Å
157R98.6Very high98.3Very high101 Ų10159.6 Ų59.638%0.38129%0.29SS..Hα-helixtrans-60.9-43.4177.1-176.4-176.866.8-144.4-10.9112E153 D154 L155 L159 E160 Q161E153-R157 WeakPolarHBondContact O-CB 3.45Å; E153-R157 PolarHBondContact O-N 3.34Å; D154-R157 PolarHBondContact O-N 3.47Å; D154-R157 IonicContact OD1-CZ 3.42Å; D154-R157 IonicContact OD1-NH1 3.59Å; D154-R157 IonicContact OD1-NH2 3.42Å; D154-R157 PolarHBondContact OD1-NH2 3.43Å; L155-R157 PolarHBondContact O-N 3.2Å; R157-L159 VanDerWaalsContact C-N 3.35Å; R157-E160 PolarHBondContact O-N 2.81Å; R157-Q161 VanDerWaalsContact CG-NE2 3.3Å; R157-Q161 WeakPolarHBondContact O-CG 3.42Å; R157-Q161 PolarHBondContact O-N 2.66Å
158N98.7Very high98.3Very high2 Ų263.6 Ų63.61%0.01131%0.308CS..Hα-helixtrans-64.5-41.2178.3-68.5-16.1000111L22 L147 P148 D154 L155 E156 Q161 V162L22-N158 HydrophobicContact CD1-CB 4.07Å; L22-N158 HydrophobicContact CD2-CB 4.44Å; L147-N158 HydrophobicContact CD1-CB 4.25Å; P148-N158 PolarHBondContact O-ND2 3.3Å; D154-N158 VanDerWaalsContact O-CB 3.25Å; D154-N158 WeakPolarHBondContact O-CB 3.45Å; D154-N158 PolarHBondContact O-N 3.37Å; D154-N158 PolarHBondContact O-ND2 3.49Å; D154-N158 VanDerWaalsContact O-ND2 3.15Å; D154-N158 PolarHBondContact O-OD1 2.76Å; L155-N158 PolarHBondContact O-N 3.15Å; E156-N158 PolarHBondContact O-N 3.08Å; N158-Q161 PolarHBondContact O-N 3.01Å; N158-V162 WeakPolarHBondContact O-CB 3.41Å; N158-V162 WeakPolarHBondContact O-CG2 3.47Å; N158-V162 PolarHBondContact O-N 2.84Å
159L98.8Very high98.3Very high1 Ų162.9 Ų62.91%0.00530%0.298CS..Hα-helixtrans-60.3-47.7175.4-74.3164.3000111.3L22 E25 L26 L155 E156 R157 V163L22-L159 HydrophobicContact CD1-CD2 3.7Å; L22-L159 HydrophobicContact CD1-CG 3.82Å; E25-L159 HydrophobicContact CB-CD1 4.08Å; E25-L159 HydrophobicContact CB-CD2 3.56Å; E25-L159 HydrophobicContact CB-CG 4.46Å; E25-L159 HydrophobicContact CG-CD1 4.46Å; E25-L159 WeakPolarHBondContact OE2-CD1 3.46Å; L26-L159 HydrophobicContact CD2-CD2 3.75Å; L26-L159 HydrophobicContact CG-CD2 3.78Å; L155-L159 HydrophobicContact CD1-CD1 3.9Å; L155-L159 HydrophobicContact CD1-CG 4.1Å; L155-L159 HydrophobicContact CG-CD1 3.87Å; L155-L159 HydrophobicContact CG-CG 4.5Å; L155-L159 WeakPolarHBondContact O-CB 3.27Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.48Å; L155-L159 PolarHBondContact O-N 3.5Å; E156-L159 WeakPolarHBondContact O-CB 3.41Å; E156-L159 PolarHBondContact O-N 2.95Å; R157-L159 VanDerWaalsContact C-N 3.35Å; L159-V163 VanDerWaalsContact O-CB 3.28Å; L159-V163 WeakPolarHBondContact O-CB 3.39Å; L159-V163 WeakPolarHBondContact O-CG2 3.48Å; L159-V163 PolarHBondContact O-N 3.1Å
160E98.5Very high98.2Very high118 Ų11864 Ų6455%0.55131%0.305SS*.Hα-helixtrans-59.9-48.9177.9-72.4-179.8175.900112.1E156 R157 V163 Q164E156-E160 WeakPolarHBondContact O-CG 3.48Å; E156-E160 PolarHBondContact O-N 2.81Å; R157-E160 PolarHBondContact O-N 2.81Å; E160-V163 PolarHBondContact O-N 2.85Å; E160-Q164 WeakPolarHBondContact O-CB 3.33Å; E160-Q164 VanDerWaalsContact O-CG 3.26Å; E160-Q164 WeakPolarHBondContact O-CG 3.37Å; E160-Q164 PolarHBondContact O-N 3.45Å
161Q98.4Very high98.2Very high95 Ų9568.9 Ų68.944%0.44433%0.325SS..Hα-helixtrans-62.5-47.5-178.8-72.8-179.229.200112.1R157 N158 Q164 W165R157-Q161 VanDerWaalsContact CG-NE2 3.3Å; R157-Q161 WeakPolarHBondContact O-CG 3.42Å; R157-Q161 PolarHBondContact O-N 2.66Å; N158-Q161 PolarHBondContact O-N 3.01Å; Q161-Q164 PolarHBondContact O-N 3.2Å; Q161-W165 WeakPolarHBondContact O-CB 3.26Å; Q161-W165 PolarHBondContact O-N 3.03Å
162V98.6Very high98.2Very high0 Ų068.5 Ų68.50%033%0.326CS..Hα-helixtrans-70.2-37.5-177.3178.80000111I9 L26 F96 L147 N158 W165 I166I9-V162 HydrophobicContact CD1-CG1 4.08Å; L26-V162 HydrophobicContact CD1-CB 4.22Å; L26-V162 HydrophobicContact CD1-CG1 3.69Å; L26-V162 HydrophobicContact CD2-CB 3.8Å; L26-V162 HydrophobicContact CD2-CG1 3.73Å; L26-V162 HydrophobicContact CG-CG1 4.38Å; F96-V162 HydrophobicContact CD2-CG2 4.2Å; F96-V162 HydrophobicContact CE1-CG2 4.28Å; F96-V162 HydrophobicContact CE2-CB 4.44Å; F96-V162 HydrophobicContact CE2-CG1 3.96Å; F96-V162 HydrophobicContact CE2-CG2 3.7Å; F96-V162 HydrophobicContact CZ-CG2 3.73Å; L147-V162 HydrophobicContact CD1-CG2 4.23Å; N158-V162 WeakPolarHBondContact O-CB 3.41Å; N158-V162 WeakPolarHBondContact O-CG2 3.47Å; N158-V162 PolarHBondContact O-N 2.84Å; V162-W165 PolarHBondContact O-N 3.44Å; V162-I166 HydrophobicContact CG1-CD1 4.04Å; V162-I166 HydrophobicContact CG1-CG1 4.48Å; V162-I166 VanDerWaalsContact O-CG1 3.26Å; V162-I166 WeakPolarHBondContact O-CG1 3.23Å; V162-I166 PolarHBondContact O-N 3.01Å
163V98.7Very high98.2Very high27 Ų2767.4 Ų67.416%0.16432%0.315CS..Hα-helixtrans-61.8-47.2173.9169.30000111L26 R29 T30 L159 E160 W165 I166 E167L26-V163 HydrophobicContact CD2-CG2 4Å; R29-V163 HydrophobicContact CB-CG2 4.33Å; T30-V163 HydrophobicContact CG2-CG2 3.87Å; L159-V163 VanDerWaalsContact O-CB 3.28Å; L159-V163 WeakPolarHBondContact O-CB 3.39Å; L159-V163 WeakPolarHBondContact O-CG2 3.48Å; L159-V163 PolarHBondContact O-N 3.1Å; E160-V163 PolarHBondContact O-N 2.85Å; V163-W165 VanDerWaalsContact C-N 3.29Å; V163-W165 PolarHBondContact O-N 3.2Å; V163-I166 PolarHBondContact O-N 2.86Å; V163-E167 WeakPolarHBondContact O-CG 3.34Å; V163-E167 PolarHBondContact O-N 3.45Å
164Q98.5Very high98Very high123 Ų12365.4 Ų65.458%0.57531%0.309SS*.Hα-helixtrans-60.3-41177-73.8174.310.500111.8E160 Q161 E167 Q168E160-Q164 WeakPolarHBondContact O-CB 3.33Å; E160-Q164 VanDerWaalsContact O-CG 3.26Å; E160-Q164 WeakPolarHBondContact O-CG 3.37Å; E160-Q164 PolarHBondContact O-N 3.45Å; Q161-Q164 PolarHBondContact O-N 3.2Å; Q164-E167 PolarHBondContact O-N 3.24Å; Q164-Q168 WeakPolarHBondContact O-CB 3.35Å; Q164-Q168 PolarHBondContact O-N 3.38Å
165W98.6Very high98Very high71 Ų7167.8 Ų67.827%0.26932%0.319SS..Hα-helixtrans-61.5-45.4175.1-179.191.4000111.8P7 I9 Q93 I94 Q161 V162 V163 E167 Q168 W169P7-W165 HydrophobicContact CB-CH2 3.82Å; P7-W165 HydrophobicContact CB-CZ3 3.77Å; P7-W165 HydrophobicContact CG-CH2 4.34Å; P7-W165 HydrophobicContact CG-CZ3 3.81Å; I9-W165 HydrophobicContact CD1-CE3 4.39Å; I9-W165 HydrophobicContact CD1-CZ3 4.04Å; I9-W165 HydrophobicContact CG1-CZ3 4.06Å; Q93-W165 HydrophobicContact CB-CH2 3.88Å; Q93-W165 HydrophobicContact CB-CZ2 4.39Å; I94-W165 HydrophobicContact CB-CH2 3.67Å; I94-W165 HydrophobicContact CB-CZ2 3.56Å; I94-W165 HydrophobicContact CB-CZ3 4.27Å; I94-W165 HydrophobicContact CD1-CD2 3.85Å; I94-W165 VanDerWaalsContact CD1-CE2 3.44Å; I94-W165 HydrophobicContact CD1-CG 4.12Å; I94-W165 HydrophobicContact CD1-CZ2 3.84Å; I94-W165 HydrophobicContact CG1-CZ2 4.31Å; I94-W165 HydrophobicContact CG2-CD2 4.32Å; I94-W165 HydrophobicContact CG2-CE3 3.96Å; I94-W165 HydrophobicContact CG2-CH2 3.35Å; I94-W165 HydrophobicContact CG2-CZ2 3.74Å; I94-W165 HydrophobicContact CG2-CZ3 3.47Å; I94-W165 VanDerWaalsContact CG2-CZ3 3.47Å; Q161-W165 WeakPolarHBondContact O-CB 3.26Å; Q161-W165 PolarHBondContact O-N 3.03Å; V162-W165 PolarHBondContact O-N 3.44Å; V163-W165 VanDerWaalsContact C-N 3.29Å; V163-W165 PolarHBondContact O-N 3.2Å; W165-E167 PolarHBondContact O-N 2.92Å; W165-Q168 PolarHBondContact O-N 2.96Å; W165-W169 HydrophobicContact CH2-CB 4.35Å; W165-W169 AromaticContact CH2-CD1 3.8Å; W165-W169 HydrophobicContact CH2-CG 4.11Å; W165-W169 HydrophobicContact CZ2-CB 4.41Å; W165-W169 AromaticContact CZ2-CD1 3.71Å; W165-W169 HydrophobicContact CZ2-CG 4.28Å; W165-W169 HydrophobicContact CZ3-CB 4.44Å; W165-W169 WeakPolarHBondContact O-CB 3.33Å; W165-W169 PolarHBondContact O-N 3.41Å
166I98.5Very high98Very high11 Ų1169.6 Ų69.66%0.05633%0.327CS..Hα-helixtrans-59-48.1176.9-69.8163.3000110.6P7 I9 T30 L32 V162 V163 Q168 W169 V170P7-I166 HydrophobicContact CG-CG1 4.37Å; P7-I166 HydrophobicContact CG-CG2 4.31Å; I9-I166 HydrophobicContact CD1-CD1 3.6Å; I9-I166 HydrophobicContact CD1-CG1 3.64Å; T30-I166 HydrophobicContact CG2-CD1 3.59Å; L32-I166 HydrophobicContact CD1-CD1 3.89Å; L32-I166 HydrophobicContact CD1-CG1 4.4Å; V162-I166 HydrophobicContact CG1-CD1 4.04Å; V162-I166 HydrophobicContact CG1-CG1 4.48Å; V162-I166 VanDerWaalsContact O-CG1 3.26Å; V162-I166 WeakPolarHBondContact O-CG1 3.23Å; V162-I166 PolarHBondContact O-N 3.01Å; V163-I166 PolarHBondContact O-N 2.86Å; I166-Q168 VanDerWaalsContact C-N 3.31Å; I166-Q168 PolarHBondContact O-N 3.24Å; I166-W169 PolarHBondContact O-N 3.17Å; I166-V170 HydrophobicContact CG2-CG2 4.44Å; I166-V170 VanDerWaalsContact O-CG2 3.3Å; I166-V170 WeakPolarHBondContact O-CG2 3.33Å; I166-V170 PolarHBondContact O-N 3.45Å
167E98.1Very high98Very high104 Ų10466.7 Ų66.749%0.48631%0.313SS..Hα-helixtrans-60.3-42.2179.5-72.9-177.1178.900112.1V163 Q164 W165 K171V163-E167 WeakPolarHBondContact O-CG 3.34Å; V163-E167 PolarHBondContact O-N 3.45Å; Q164-E167 PolarHBondContact O-N 3.24Å; W165-E167 PolarHBondContact O-N 2.92Å; E167-K171 VanDerWaalsContact O-CG 3.31Å; E167-K171 WeakPolarHBondContact O-CG 3.34Å; E167-K171 PolarHBondContact O-N 3.4Å; E167-K171 VanDerWaalsContact O-N 3.16Å
168Q98.3Very high97.9Very high90 Ų9064.7 Ų64.742%0.42131%0.309SS..Hα-helixtrans-68.2-46.2178.7-172.154.447.600111.2Q164 W165 I166 V170 K171 D172Q164-Q168 WeakPolarHBondContact O-CB 3.35Å; Q164-Q168 PolarHBondContact O-N 3.38Å; W165-Q168 PolarHBondContact O-N 2.96Å; I166-Q168 VanDerWaalsContact C-N 3.31Å; I166-Q168 PolarHBondContact O-N 3.24Å; Q168-V170 VanDerWaalsContact C-N 3.29Å; Q168-V170 PolarHBondContact O-N 2.78Å; Q168-K171 WeakPolarHBondContact O-CB 3.44Å; Q168-K171 PolarHBondContact O-N 3.03Å; Q168-K171 VanDerWaalsContact O-N 3.11Å; Q168-D172 PolarHBondContact NE2-OD1 3.1Å; Q168-D172 PolarHBondContact NE2-OD2 3.1Å; Q168-D172 PolarHBondContact O-N 3.23Å
169W98.4Very high97.9Very high42 Ų4268.6 Ų68.616%0.15933%0.328CS..Hα-helixtrans-57.5-43.1176.9-172.599.6000111.6K5 P7 Q93 W165 I166 K171 D172 N173K5-W169 HydrophobicContact CB-CH2 4.12Å; K5-W169 HydrophobicContact CB-CZ3 4.13Å; P7-W169 HydrophobicContact CB-CD2 3.66Å; P7-W169 HydrophobicContact CB-CE3 3.76Å; P7-W169 HydrophobicContact CB-CG 4.12Å; P7-W169 HydrophobicContact CB-CH2 4.34Å; P7-W169 HydrophobicContact CB-CZ2 4.27Å; P7-W169 HydrophobicContact CB-CZ3 4.11Å; P7-W169 VanDerWaalsContact CD-CE3 3.44Å; P7-W169 HydrophobicContact CG-CD2 4.05Å; P7-W169 HydrophobicContact CG-CE3 3.82Å; P7-W169 HydrophobicContact CG-CG 4.38Å; P7-W169 HydrophobicContact CG-CZ3 4.36Å; P7-W169 VanDerWaalsContact N-CZ3 3.34Å; Q93-W169 HydrophobicContact CG-CZ2 3.7Å; W165-W169 HydrophobicContact CH2-CB 4.35Å; W165-W169 AromaticContact CH2-CD1 3.8Å; W165-W169 HydrophobicContact CH2-CG 4.11Å; W165-W169 HydrophobicContact CZ2-CB 4.41Å; W165-W169 AromaticContact CZ2-CD1 3.71Å; W165-W169 HydrophobicContact CZ2-CG 4.28Å; W165-W169 HydrophobicContact CZ3-CB 4.44Å; W165-W169 WeakPolarHBondContact O-CB 3.33Å; W165-W169 PolarHBondContact O-N 3.41Å; I166-W169 PolarHBondContact O-N 3.17Å; W169-K171 PolarHBondContact O-N 3.32Å; W169-D172 PolarHBondContact O-N 2.85Å; W169-N173 HydrophobicContact CD2-CB 4.45Å; W169-N173 HydrophobicContact CE3-CB 4.2Å; W169-N173 HydrophobicContact CH2-CB 4.08Å; W169-N173 HydrophobicContact CZ2-CB 4.3Å; W169-N173 HydrophobicContact CZ3-CB 4Å; W169-N173 WeakPolarHBondContact O-CB 3.44Å; W169-N173 PolarHBondContact O-N 2.9Å; W169-N173 VanDerWaalsContact O-N 3.14Å; W169-N173 PolarHBondContact O-ND2 3.07Å
170V97.4Very high97.8Very high32 Ų3273.1 Ų73.119%0.19435%0.349CS..Hα-helixtrans-63.1-41178169.40000111.2I166 Q168 N173 N174I166-V170 HydrophobicContact CG2-CG2 4.44Å; I166-V170 VanDerWaalsContact O-CG2 3.3Å; I166-V170 WeakPolarHBondContact O-CG2 3.33Å; I166-V170 PolarHBondContact O-N 3.45Å; Q168-V170 VanDerWaalsContact C-N 3.29Å; Q168-V170 PolarHBondContact O-N 2.78Å; V170-N173 PolarHBondContact O-N 3.44Å; V170-N174 WeakPolarHBondContact O-CB 3.43Å; V170-N174 PolarHBondContact O-N 3.32Å; V170-N174 PolarHBondContact O-ND2 2.8Å
171K97.4Very high97.8Very high130 Ų13069.9 Ų69.957%0.56534%0.335SS*.Hα-helixtrans-63.7-40176-71167.2-169.2164.30112.2E167 Q168 W169 N173E167-K171 VanDerWaalsContact O-CG 3.31Å; E167-K171 WeakPolarHBondContact O-CG 3.34Å; E167-K171 PolarHBondContact O-N 3.4Å; E167-K171 VanDerWaalsContact O-N 3.16Å; Q168-K171 WeakPolarHBondContact O-CB 3.44Å; Q168-K171 PolarHBondContact O-N 3.03Å; Q168-K171 VanDerWaalsContact O-N 3.11Å; W169-K171 PolarHBondContact O-N 3.32Å; K171-N173 VanDerWaalsContact C-N 3.29Å; K171-N173 PolarHBondContact O-N 2.95Å
172D97.7Very high97.7Very high111 Ų11168 Ų6859%0.59433%0.327SS*.Hα-helixtrans-75.4-19.1-176.5-65-25.9000113Q168 W169Q168-D172 PolarHBondContact NE2-OD1 3.1Å; Q168-D172 PolarHBondContact NE2-OD2 3.1Å; Q168-D172 PolarHBondContact O-N 3.23Å; W169-D172 PolarHBondContact O-N 2.85Å
173N96.3Very high97.7Very high68 Ų6873.7 Ų73.736%0.36435%0.354SS..THydrogen-bonded Turntrans-112.75.8-172.9-72.2-85.8000115.2W169 V170 K171W169-N173 HydrophobicContact CD2-CB 4.45Å; W169-N173 HydrophobicContact CE3-CB 4.2Å; W169-N173 HydrophobicContact CH2-CB 4.08Å; W169-N173 HydrophobicContact CZ2-CB 4.3Å; W169-N173 HydrophobicContact CZ3-CB 4Å; W169-N173 WeakPolarHBondContact O-CB 3.44Å; W169-N173 PolarHBondContact O-N 2.9Å; W169-N173 VanDerWaalsContact O-N 3.14Å; W169-N173 PolarHBondContact O-ND2 3.07Å; V170-N173 PolarHBondContact O-N 3.44Å; K171-N173 VanDerWaalsContact C-N 3.29Å; K171-N173 PolarHBondContact O-N 2.95Å
174N94.2Very high97.6Very high75 Ų7577.9 Ų77.940%0.40137%0.371SS..  trans-131.60-176.8-71.2-76.3000114.1K2 M4 K5 V170K2-N174 PolarHBondContact NZ-O 2.97Å; M4-N174 VanDerWaalsContact CA-OD1 3.27Å; M4-N174 WeakPolarHBondContact CA-OD1 3.37Å; K5-N174 PolarHBondContact N-OD1 3.28Å; K5-N174 PolarHBondContact O-ND2 3.33Å; V170-N174 WeakPolarHBondContact O-CB 3.43Å; V170-N174 PolarHBondContact O-N 3.32Å; V170-N174 PolarHBondContact O-ND2 2.8Å

Retrieved 174 of 174 residues in 716.7 ms (Link to these results)

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