A0A087YAB1_POEFO Loading...

Serine and arginine rich splicing factor 11

AlphaFold DB , UniProt , Accession A0A087YAB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 453 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
1M48.8Very low78.5Confident195 Ų19562.5 Ų62.596%0.96133%0.328SS*.  0131.70-74.658.5175.900106.5Y3M1-Y3 HydrophobicContact CB-CE1 4.26Å; M1-Y3 HydrophobicContact CB-CE2 4.06Å
2S49.7Very low79.5Confident106 Ų10662.1 Ų62.174%0.74133%0.326SS*.  trans-87104.4170.9460000108.4T4S2-T4 PolarHBondContact O-N 3.49Å; S2-T4 VanDerWaalsContact O-N 3.1Å
3Y62.5Low80.4Confident66 Ų6657.3 Ų57.326%0.25930%0.301SS..  trans-76.595.1173.7-58.1-77.5000107.9M1 P59 V62 G63 Q66M1-Y3 HydrophobicContact CB-CE1 4.26Å; M1-Y3 HydrophobicContact CB-CE2 4.06Å; Y3-P59 WeakPolarHBondContact O-CB 3.49Å; Y3-V62 HydrophobicContact CD1-CG1 3.93Å; Y3-V62 HydrophobicContact CG-CG1 4.45Å; Y3-G63 VanDerWaalsContact CE2-CA 3.43Å; Y3-G63 VanDerWaalsContact CZ-CA 3.41Å; Y3-Q66 PolarHBondContact OH-OE1 2.69Å
4T74Confident81Confident125 Ų12553.3 Ų53.377%0.76728%0.28SS*.  trans-83.5-16.8177.349.70000112.5S2S2-T4 PolarHBondContact O-N 3.49Å; S2-T4 VanDerWaalsContact O-N 3.1Å
5T85.2Confident81.4Confident23 Ų2352.3 Ų52.314%0.14128%0.277CS..  trans-96.1155.4-179.670.40000110.7V62 F83T5-V62 WeakPolarHBondContact O-CG2 3.25Å; T5-F83 VanDerWaalsContact CB-O 3.23Å; T5-F83 WeakPolarHBondContact CB-O 3.19Å; T5-F83 VanDerWaalsContact CG2-O 3.25Å; T5-F83 WeakPolarHBondContact CG2-O 3.45Å; T5-F83 PolarHBondContact OG1-O 3.5Å
6R88.1Confident81.7Confident125 Ų12554.6 Ų54.647%0.47230%0.299SS..  trans-112.7-4.9175.8-61-172.1-166.3-168.410113.7F56 Q57 P59R6-F56 WeakPolarHBondContact CB-O 2.99Å; R6-F56 PolarHBondContact O-N 3.41Å; R6-Q57 WeakPolarHBondContact CD-O 3.38Å; R6-Q57 PolarHBondContact NH1-O 3.12Å; R6-P59 HydrophobicContact CG-CB 4.32Å
7V90.3Very high82.1Confident0 Ų051.4 Ų51.40%028%0.282CS..EExtended strand (participates in β ladder)trans-104.1138.5-178.7-178.90000110.3V54 K55 F83 G86 I88V7-V54 CarbonylContact C-O 3.56Å; V7-V54 WeakPolarHBondContact CA-O 3.5Å; V7-K55 HydrophobicContact CG2-CB 4.1Å; V7-K55 HydrophobicContact CG2-CG 3.94Å; V7-F83 HydrophobicContact CB-CB 4.22Å; V7-F83 HydrophobicContact CG1-CB 3.93Å; V7-F83 HydrophobicContact CG1-CD1 4.08Å; V7-F83 HydrophobicContact CG1-CG 4.43Å; V7-F83 PolarHBondContact O-N 3.12Å; V7-G86 WeakPolarHBondContact CG2-O 3.5Å; V7-I88 HydrophobicContact CG1-CG1 4.37Å
8V91.3Very high82.6Confident1 Ų151.2 Ų51.21%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-119.7130.3178176.70000109V10 F53 V54 F56 V62 V80V8-V10 HydrophobicContact CG1-CG2 3.88Å; V8-F53 WeakPolarHBondContact O-CA 3.44Å; V8-V54 HydrophobicContact CB-CB 4.49Å; V8-V54 PolarHBondContact N-O 2.98Å; V8-V54 PolarHBondContact O-N 2.8Å; V8-F56 HydrophobicContact CB-CE2 4.23Å; V8-F56 HydrophobicContact CG2-CD2 4.01Å; V8-F56 HydrophobicContact CG2-CE2 3.72Å; V8-V62 HydrophobicContact CG2-CB 4.12Å; V8-V62 HydrophobicContact CG2-CG1 3.92Å; V8-V62 HydrophobicContact CG2-CG2 3.87Å; V8-V80 HydrophobicContact CG1-CG1 3.25Å
9Q91.2Very high82.9Confident22 Ų2250.6 Ų50.610%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-93.8131.7166.6179.7-175.1-9.900109.1T11 V51 F53 V81 F83Q9-T11 HydrophobicContact CG-CG2 4.07Å; Q9-T11 VanDerWaalsContact NE2-CG2 3.3Å; Q9-V51 HydrophobicContact CG-CG2 4.07Å; Q9-F53 HydrophobicContact CB-CD1 4.05Å; Q9-F53 HydrophobicContact CB-CE1 3.69Å; Q9-F53 HydrophobicContact CB-CZ 4.46Å; Q9-F53 HydrophobicContact CG-CD1 4.29Å; Q9-F53 HydrophobicContact CG-CE1 3.6Å; Q9-F53 HydrophobicContact CG-CZ 3.86Å; Q9-V81 PolarHBondContact N-O 2.91Å; Q9-V81 PolarHBondContact O-N 3.31Å; Q9-F83 HydrophobicContact CB-CB 4.43Å
10V91.8Very high83.3Confident0 Ų055.3 Ų55.30%030%0.302CS..EExtended strand (participates in β ladder)trans-123.6105.4178.9-169.90000108.5V8 V13 M22 F26 V51 C52 V54 L78 I79 V80V8-V10 HydrophobicContact CG1-CG2 3.88Å; V10-V13 HydrophobicContact CB-CG2 4.38Å; V10-V13 HydrophobicContact CG1-CG2 3.9Å; V10-V13 WeakPolarHBondContact O-CG2 3.22Å; V10-M22 HydrophobicContact CB-CE 4.26Å; V10-M22 HydrophobicContact CG1-CE 3.94Å; V10-F26 HydrophobicContact CB-CZ 4.43Å; V10-F26 HydrophobicContact CG1-CE2 4.35Å; V10-F26 HydrophobicContact CG1-CZ 4.12Å; V10-F26 HydrophobicContact CG2-CE1 4.31Å; V10-F26 HydrophobicContact CG2-CE2 3.76Å; V10-F26 HydrophobicContact CG2-CZ 3.47Å; V10-F26 VanDerWaalsContact CG2-CZ 3.47Å; V10-V51 CarbonylContact O-C 3.57Å; V10-V51 WeakPolarHBondContact O-CA 3.42Å; V10-V51 WeakPolarHBondContact O-CG2 3.24Å; V10-C52 HydrophobicContact CB-CB 4.24Å; V10-C52 PolarHBondContact N-O 3.41Å; V10-C52 PolarHBondContact O-N 3.15Å; V10-V54 HydrophobicContact CG2-CG2 4.34Å; V10-L78 HydrophobicContact CG1-CB 4.23Å; V10-L78 HydrophobicContact CG1-CD1 4.43Å; V10-L78 HydrophobicContact CG1-CD2 4.07Å; V10-L78 HydrophobicContact CG1-CG 4.48Å; V10-I79 CarbonylContact C-O 3.57Å; V10-I79 WeakPolarHBondContact CA-O 3.44Å; V10-V80 HydrophobicContact CG1-CG2 4.32Å; V10-V80 HydrophobicContact CG2-CG1 4.47Å
11T90.8Very high83.7Confident25 Ų2556 Ų5615%0.15330%0.303CS..EExtended strand (participates in β ladder)trans-101169.3178.4570000111.8Q9 V13 V51 I79Q9-T11 HydrophobicContact CG-CG2 4.07Å; Q9-T11 VanDerWaalsContact NE2-CG2 3.3Å; T11-V13 VanDerWaalsContact C-N 3.26Å; T11-V13 PolarHBondContact O-N 3.03Å; T11-V51 HydrophobicContact CG2-CB 4.44Å; T11-V51 HydrophobicContact CG2-CG2 3.82Å; T11-I79 PolarHBondContact N-O 2.97Å; T11-I79 PolarHBondContact O-N 2.99Å; T11-I79 VanDerWaalsContact O-N 3.12Å; T11-I79 WeakPolarHBondContact OG1-CB 3.48Å
12N90.4Very high85.7Confident57 Ų5746.8 Ų46.831%0.30526%0.257SS..EExtended strand (participates in β ladder)trans59.931.8-175.6-166.942.9000113.9R76 A77 I79N12-R76 WeakPolarHBondContact O-CB 3.34Å; N12-A77 PolarHBondContact ND2-O 3.01Å; N12-I79 HydrophobicContact CB-CD1 4.22Å; N12-I79 HydrophobicContact CB-CG1 4.48Å
13V91Very high87.7Confident0 Ų047.5 Ų47.50%024%0.244CC..EExtended strand (participates in β ladder)trans-68.8145.4173.1-1760000109V10 T11 T17 M22 R50 C52 L78V10-V13 HydrophobicContact CB-CG2 4.38Å; V10-V13 HydrophobicContact CG1-CG2 3.9Å; V10-V13 WeakPolarHBondContact O-CG2 3.22Å; T11-V13 VanDerWaalsContact C-N 3.26Å; T11-V13 PolarHBondContact O-N 3.03Å; V13-T17 HydrophobicContact CG1-CG2 3.69Å; V13-M22 HydrophobicContact CB-CE 4.42Å; V13-M22 HydrophobicContact CG1-CE 3.91Å; V13-M22 HydrophobicContact CG1-SD 3.91Å; V13-M22 HydrophobicContact CG2-CE 3.55Å; V13-R50 HydrophobicContact CB-CB 3.85Å; V13-R50 VanDerWaalsContact CB-O 3.31Å; V13-R50 WeakPolarHBondContact CB-O 3.44Å; V13-R50 HydrophobicContact CG1-CB 4.19Å; V13-R50 PolarHBondContact N-O 3.45Å; V13-R50 PolarHBondContact O-N 2.72Å; V13-C52 HydrophobicContact CG2-CB 4.32Å; V13-L78 HydrophobicContact CG2-CD2 4.07Å
14S89.1Confident89.1Confident1 Ų148.3 Ų48.31%0.00726%0.256CS..  trans-61.5139.6176.7-176.10000111.4S16 T17 D75S14-S16 PolarHBondContact O-N 3.14Å; S14-S16 PolarHBondContact OG-N 3.36Å; S14-S16 VanDerWaalsContact OG-N 3.16Å; S14-T17 WeakPolarHBondContact O-CB 3.46Å; S14-T17 PolarHBondContact O-N 3.42Å; S14-T17 VanDerWaalsContact O-N 3.13Å; S14-D75 WeakPolarHBondContact CB-OD1 3.45Å; S14-D75 PolarHBondContact OG-OD1 3.21Å
15P87.1Confident90Very high38 Ų3843.5 Ų43.525%0.24723%0.226CC..THydrogen-bonded Turntrans-67.4-13169.730.9-36.1000113.1V47 R50P15-V47 HydrophobicContact CB-CB 4.23Å; P15-V47 HydrophobicContact CB-CG1 4.26Å; P15-V47 WeakPolarHBondContact CB-O 3.39Å; P15-R50 PolarHBondContact O-NH1 3.2Å
16S86.8Confident90.3Very high90 Ų9042.4 Ų42.463%0.62922%0.219SC*.THydrogen-bonded Turntrans-94.43.6173-54.70000113.7S14S14-S16 PolarHBondContact O-N 3.14Å; S14-S16 PolarHBondContact OG-N 3.36Å; S14-S16 VanDerWaalsContact OG-N 3.16Å
17T88.4Confident90.5Very high0 Ų038.5 Ų38.50%022%0.217CC..  trans-92.1123.8176.1-78.60000110.6V13 S14 Q21 M22 R50 F73 V74V13-T17 HydrophobicContact CG1-CG2 3.69Å; S14-T17 WeakPolarHBondContact O-CB 3.46Å; S14-T17 PolarHBondContact O-N 3.42Å; S14-T17 VanDerWaalsContact O-N 3.13Å; T17-Q21 HydrophobicContact CG2-CB 4.21Å; T17-Q21 PolarHBondContact OG1-OE1 2.83Å; T17-M22 HydrophobicContact CG2-CG 3.52Å; T17-M22 HydrophobicContact CG2-SD 3.62Å; T17-R50 PolarHBondContact O-NH1 3.22Å; T17-F73 HydrophobicContact CG2-CD1 4.08Å; T17-F73 HydrophobicContact CG2-CE1 3.71Å; T17-V74 VanDerWaalsContact OG1-CG2 3.26Å; T17-V74 WeakPolarHBondContact OG1-CG2 3.42Å
18T90Very high90.4Very high47 Ų4746.7 Ų46.729%0.28825%0.253SS..  trans-82159.7175.865.50000112.4E20 Q21 M22 D41T18-E20 VanDerWaalsContact C-N 3.29Å; T18-E20 PolarHBondContact O-N 3.01Å; T18-Q21 WeakPolarHBondContact O-CB 3.32Å; T18-Q21 PolarHBondContact O-N 2.96Å; T18-Q21 WeakPolarHBondContact OG1-CG 3.41Å; T18-Q21 PolarHBondContact OG1-N 2.72Å; T18-M22 PolarHBondContact O-N 3.4Å; T18-D41 WeakPolarHBondContact CA-OD1 3.37Å
19S88.6Confident90.3Very high40 Ų4048.3 Ų48.328%0.2826%0.261SS..Hα-helixtrans-54.8-39.2172.249.50000113.6M22 R23 D41S19-M22 PolarHBondContact O-N 3.45Å; S19-R23 WeakPolarHBondContact O-CG 3.37Å; S19-R23 PolarHBondContact O-N 3.42Å; S19-D41 WeakPolarHBondContact CB-OD2 3.46Å; S19-D41 PolarHBondContact N-OD2 2.89Å; S19-D41 PolarHBondContact OG-OD2 3.3Å
20E90.3Very high90.2Very high145 Ų14548.1 Ų48.168%0.67827%0.266SS*.Hα-helixtrans-62.7-40.1175.5-64.1-172.9148.500113.5T18 M22 R23 T24T18-E20 VanDerWaalsContact C-N 3.29Å; T18-E20 PolarHBondContact O-N 3.01Å; E20-M22 VanDerWaalsContact C-N 3.28Å; E20-M22 PolarHBondContact O-N 2.86Å; E20-R23 PolarHBondContact O-N 3.06Å; E20-T24 WeakPolarHBondContact O-CB 3.4Å; E20-T24 PolarHBondContact O-N 3Å; E20-T24 PolarHBondContact O-OG1 2.73Å
21Q91.8Very high90.3Very high71 Ų7151.9 Ų51.933%0.33229%0.289SS..Hα-helixtrans-63.1-38.8177.7-73.9174.218.500111T17 T18 T24 L25 F73T17-Q21 HydrophobicContact CG2-CB 4.21Å; T17-Q21 PolarHBondContact OG1-OE1 2.83Å; T18-Q21 WeakPolarHBondContact O-CB 3.32Å; T18-Q21 PolarHBondContact O-N 2.96Å; T18-Q21 WeakPolarHBondContact OG1-CG 3.41Å; T18-Q21 PolarHBondContact OG1-N 2.72Å; Q21-T24 PolarHBondContact O-N 2.81Å; Q21-L25 WeakPolarHBondContact O-CB 3.41Å; Q21-L25 PolarHBondContact O-N 2.96Å; Q21-F73 HydrophobicContact CB-CE1 4Å; Q21-F73 HydrophobicContact CB-CZ 3.98Å
22M91.9Very high90.4Very high0 Ų052.7 Ų52.70%029%0.292CS..Hα-helixtrans-68.8-43.8175.5-63.1-65.6-82.600111.6V10 V13 T17 T18 S19 E20 T24 L25 F26 L35 L37 C52 F73V10-M22 HydrophobicContact CB-CE 4.26Å; V10-M22 HydrophobicContact CG1-CE 3.94Å; V13-M22 HydrophobicContact CB-CE 4.42Å; V13-M22 HydrophobicContact CG1-CE 3.91Å; V13-M22 HydrophobicContact CG1-SD 3.91Å; V13-M22 HydrophobicContact CG2-CE 3.55Å; T17-M22 HydrophobicContact CG2-CG 3.52Å; T17-M22 HydrophobicContact CG2-SD 3.62Å; T18-M22 PolarHBondContact O-N 3.4Å; S19-M22 PolarHBondContact O-N 3.45Å; E20-M22 VanDerWaalsContact C-N 3.28Å; E20-M22 PolarHBondContact O-N 2.86Å; M22-T24 VanDerWaalsContact C-N 3.28Å; M22-T24 PolarHBondContact O-N 3.22Å; M22-L25 PolarHBondContact O-N 2.71Å; M22-F26 HydrophobicContact CE-CE2 3.8Å; M22-F26 WeakPolarHBondContact O-CD2 3.32Å; M22-F26 PolarHBondContact O-N 3.45Å; M22-F26 HydrophobicContact SD-CE2 4.48Å; M22-L35 HydrophobicContact CB-CD1 3.96Å; M22-L35 HydrophobicContact CB-CD2 4.39Å; M22-L37 HydrophobicContact CG-CD1 4.21Å; M22-C52 HydrophobicContact CE-CB 3.46Å; M22-C52 VanDerWaalsContact CE-CB 3.46Å; M22-F73 HydrophobicContact SD-CD1 4.37Å; M22-F73 HydrophobicContact SD-CE1 4.3Å
23R91.6Very high90.4Very high121 Ų12155.1 Ų55.146%0.45730%0.301SS..Hα-helixtrans-57.3-42.2172.7-72.6175.5175.9-102.5-3.3111.6S19 E20 G27 I32 L35S19-R23 WeakPolarHBondContact O-CG 3.37Å; S19-R23 PolarHBondContact O-N 3.42Å; E20-R23 PolarHBondContact O-N 3.06Å; R23-G27 WeakPolarHBondContact O-CA 3.46Å; R23-G27 PolarHBondContact O-N 2.88Å; R23-I32 VanDerWaalsContact O-CD1 3.32Å; R23-I32 WeakPolarHBondContact O-CD1 3.49Å; R23-L35 HydrophobicContact CB-CD1 4.46Å; R23-L35 HydrophobicContact CG-CB 4.01Å; R23-L35 HydrophobicContact CG-CD1 3.75Å; R23-L35 HydrophobicContact CG-CD2 3.98Å; R23-L35 HydrophobicContact CG-CG 4.13Å; R23-L35 PolarHBondContact NH2-O 2.71Å
24T92.1Very high90.4Very high83 Ų8357.9 Ų57.951%0.50931%0.314SS..Hα-helixtrans-65.9-48.9177.2-53.50000111.6E20 Q21 M22 G27 F28E20-T24 WeakPolarHBondContact O-CB 3.4Å; E20-T24 PolarHBondContact O-N 3Å; E20-T24 PolarHBondContact O-OG1 2.73Å; Q21-T24 PolarHBondContact O-N 2.81Å; M22-T24 VanDerWaalsContact C-N 3.28Å; M22-T24 PolarHBondContact O-N 3.22Å; T24-G27 PolarHBondContact O-N 2.89Å; T24-F28 HydrophobicContact CG2-CE2 3.88Å; T24-F28 HydrophobicContact CG2-CZ 4.14Å; T24-F28 WeakPolarHBondContact O-CD2 3.4Å; T24-F28 PolarHBondContact O-N 3Å
25L91.9Very high90.5Very high25 Ų2558.2 Ų58.213%0.13132%0.316CS..Hα-helixtrans-62.3-47-178.2173.4142.3000112.2Q21 M22 L29 L68 F73 L78Q21-L25 WeakPolarHBondContact O-CB 3.41Å; Q21-L25 PolarHBondContact O-N 2.96Å; M22-L25 PolarHBondContact O-N 2.71Å; L25-L29 WeakPolarHBondContact O-CD1 3.39Å; L25-L68 HydrophobicContact CD2-CD1 3.75Å; L25-L68 HydrophobicContact CG-CD1 4.46Å; L25-F73 HydrophobicContact CB-CE2 4.4Å; L25-F73 HydrophobicContact CB-CZ 4.42Å; L25-F73 HydrophobicContact CD1-CD1 4.46Å; L25-F73 HydrophobicContact CD1-CD2 3.29Å; L25-F73 HydrophobicContact CD1-CE2 3.38Å; L25-F73 HydrophobicContact CD1-CG 3.87Å; L25-F73 HydrophobicContact CD1-CZ 4.02Å; L25-L78 HydrophobicContact CD1-CD1 4.37Å; L25-L78 HydrophobicContact CD2-CD1 4.32Å
26F92.2Very high90.5Very high0 Ų060.8 Ų60.80%032%0.323CS..Hα-helixtrans-78.5-23178.9-73.7-71.2000113V10 M22 F28 L29 G30 I32 V54 F56 L68V10-F26 HydrophobicContact CB-CZ 4.43Å; V10-F26 HydrophobicContact CG1-CE2 4.35Å; V10-F26 HydrophobicContact CG1-CZ 4.12Å; V10-F26 HydrophobicContact CG2-CE1 4.31Å; V10-F26 HydrophobicContact CG2-CE2 3.76Å; V10-F26 HydrophobicContact CG2-CZ 3.47Å; V10-F26 VanDerWaalsContact CG2-CZ 3.47Å; M22-F26 HydrophobicContact CE-CE2 3.8Å; M22-F26 WeakPolarHBondContact O-CD2 3.32Å; M22-F26 PolarHBondContact O-N 3.45Å; M22-F26 HydrophobicContact SD-CE2 4.48Å; F26-F28 PolarHBondContact O-N 2.66Å; F26-L29 WeakPolarHBondContact O-CB 3.41Å; F26-L29 PolarHBondContact O-N 2.94Å; F26-G30 PolarHBondContact O-N 2.92Å; F26-I32 HydrophobicContact CB-CD1 3.75Å; F26-I32 HydrophobicContact CB-CG1 4.4Å; F26-V54 HydrophobicContact CB-CG1 4.18Å; F26-V54 HydrophobicContact CD2-CG2 3.89Å; F26-V54 HydrophobicContact CE2-CG2 4.27Å; F26-V54 HydrophobicContact CG-CG1 4.47Å; F26-V54 HydrophobicContact CG-CG2 4.2Å; F26-F56 HydrophobicContact CB-CE1 4.28Å; F26-F56 HydrophobicContact CB-CZ 3.91Å; F26-F56 AromaticContact CD1-CZ 3.89Å; F26-F56 HydrophobicContact CD1-CZ 3.89Å; F26-F56 HydrophobicContact CG-CZ 4.23Å; F26-L68 HydrophobicContact CD1-CD1 4.25Å; F26-L68 HydrophobicContact CE1-CD1 3.78Å; F26-L68 HydrophobicContact CZ-CD1 4.34Å
27G91.2Very high90.6Very high42 Ų4257.2 Ų57.243%0.43330%0.297SS..Hα-helixtrans-63.4-23.7172.600000113.8R23 T24 L29R23-G27 WeakPolarHBondContact O-CA 3.46Å; R23-G27 PolarHBondContact O-N 2.88Å; T24-G27 PolarHBondContact O-N 2.89Å; G27-L29 PolarHBondContact O-N 3.07Å
28F90Very high90.5Very high172 Ų17258.2 Ų58.275%0.75430%0.301SS*.THydrogen-bonded Turntrans-73-10.3169.8-64.4-57.1000113.9T24 F26T24-F28 HydrophobicContact CG2-CE2 3.88Å; T24-F28 HydrophobicContact CG2-CZ 4.14Å; T24-F28 WeakPolarHBondContact O-CD2 3.4Å; T24-F28 PolarHBondContact O-N 3Å; F26-F28 PolarHBondContact O-N 2.66Å
29L88.9Confident90.1Very high35 Ų3557 Ų5718%0.18329%0.294CS..THydrogen-bonded Turntrans-109.3-18.7-177.5-77.676000113.4L25 F26 G27 S61 V64 S65 L68L25-L29 WeakPolarHBondContact O-CD1 3.39Å; F26-L29 WeakPolarHBondContact O-CB 3.41Å; F26-L29 PolarHBondContact O-N 2.94Å; G27-L29 PolarHBondContact O-N 3.07Å; L29-S61 PolarHBondContact O-OG 3.11Å; L29-V64 HydrophobicContact CB-CG1 4.37Å; L29-V64 HydrophobicContact CD2-CB 4.3Å; L29-V64 HydrophobicContact CD2-CG1 3.81Å; L29-V64 HydrophobicContact CG-CG1 3.91Å; L29-S65 VanDerWaalsContact CD2-CA 3.49Å; L29-L68 HydrophobicContact CD1-CD1 3.94Å; L29-L68 HydrophobicContact CD2-CD1 3.56Å; L29-L68 HydrophobicContact CD2-CD2 4.47Å; L29-L68 HydrophobicContact CD2-CG 3.82Å; L29-L68 HydrophobicContact CG-CD1 4.45Å
30G89.2Confident89.5Confident19 Ų1957.9 Ų57.920%0.19630%0.299CS..SBendtrans174.9168179.300000113F26 I32 S61F26-G30 PolarHBondContact O-N 2.92Å; G30-I32 PolarHBondContact O-N 3.1Å; G30-S61 VanDerWaalsContact CA-OG 3.32Å; G30-S61 WeakPolarHBondContact CA-OG 3.36Å
31T92.9Very high88.5Confident78 Ų7853.6 Ų53.648%0.47928%0.281SS..  trans-67.9115.2170.136.80000109.8F56 Q57T31-F56 WeakPolarHBondContact O-CA 3.19Å; T31-Q57 VanDerWaalsContact CB-OE1 3.32Å; T31-Q57 PolarHBondContact O-N 2.97Å; T31-Q57 WeakPolarHBondContact OG1-CB 3.31Å; T31-Q57 PolarHBondContact OG1-OE1 3.38Å
32I92.9Very high87.1Confident42 Ų4257.7 Ų57.722%0.21531%0.305CS..EExtended strand (participates in β ladder)trans-81.8125173.8-59.2175.8000108R23 F26 G30 E34 L35 V54 F56R23-I32 VanDerWaalsContact O-CD1 3.32Å; R23-I32 WeakPolarHBondContact O-CD1 3.49Å; F26-I32 HydrophobicContact CB-CD1 3.75Å; F26-I32 HydrophobicContact CB-CG1 4.4Å; G30-I32 PolarHBondContact O-N 3.1Å; I32-E34 WeakPolarHBondContact CG2-O 3.34Å; I32-L35 HydrophobicContact CD1-CD1 4.29Å; I32-L35 HydrophobicContact CG2-CB 4.02Å; I32-V54 HydrophobicContact CD1-CG1 4.09Å; I32-V54 HydrophobicContact CG1-CG1 3.97Å; I32-V54 HydrophobicContact CG2-CG1 4.02Å; I32-F56 HydrophobicContact CG1-CD1 4.38Å; I32-F56 HydrophobicContact CG1-CE1 4.08Å
33E91.5Very high85.8Confident109 Ų10959 Ų5951%0.50931%0.314SS..EExtended strand (participates in β ladder)trans-85.1-45.3171.9-167.6-167.7153.100110.3K55E33-K55 HydrophobicContact CB-CD 4.27Å; E33-K55 HydrophobicContact CB-CG 4.27Å; E33-K55 VanDerWaalsContact CD-CE 3.48Å; E33-K55 HydrophobicContact CG-CD 4.36Å; E33-K55 PolarHBondContact N-O 3.35Å; E33-K55 WeakPolarHBondContact OE1-CE 3.39Å; E33-K55 IonicContact OE1-NZ 3.47Å; E33-K55 PolarHBondContact OE1-NZ 3.3Å; E33-K55 WeakPolarHBondContact OE2-CD 3.33Å; E33-K55 WeakPolarHBondContact OE2-CE 3.47Å; E33-K55 IonicContact OE2-NZ 3.17Å; E33-K55 PolarHBondContact OE2-NZ 2.73Å
34E89.9Confident84.2Confident58 Ų5859.6 Ų59.627%0.27133%0.333SS..EExtended strand (participates in β ladder)trans-145.5143.4-178.4-160.9-170.8165.600110.6I32 K36 K55 I88I32-E34 WeakPolarHBondContact CG2-O 3.34Å; E34-K36 VanDerWaalsContact OE1-CE 3.23Å; E34-K36 WeakPolarHBondContact OE1-CE 3.34Å; E34-K36 IonicContact OE1-NZ 3.2Å; E34-K36 PolarHBondContact OE1-NZ 2.93Å; E34-K55 HydrophobicContact CB-CB 3.9Å; E34-K55 HydrophobicContact CB-CD 4.16Å; E34-K55 PolarHBondContact N-O 2.96Å; E34-K55 PolarHBondContact O-N 3.08Å; E34-I88 HydrophobicContact CB-CD1 3.93Å; E34-I88 HydrophobicContact CG-CD1 3.8Å
35L91Very high82.8Confident8 Ų862.6 Ų62.64%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-143.8125.5171.9-176.8153.6000110.6M22 R23 I32 C52 F53 V54M22-L35 HydrophobicContact CB-CD1 3.96Å; M22-L35 HydrophobicContact CB-CD2 4.39Å; R23-L35 HydrophobicContact CB-CD1 4.46Å; R23-L35 HydrophobicContact CG-CB 4.01Å; R23-L35 HydrophobicContact CG-CD1 3.75Å; R23-L35 HydrophobicContact CG-CD2 3.98Å; R23-L35 HydrophobicContact CG-CG 4.13Å; R23-L35 PolarHBondContact NH2-O 2.71Å; I32-L35 HydrophobicContact CD1-CD1 4.29Å; I32-L35 HydrophobicContact CG2-CB 4.02Å; L35-C52 VanDerWaalsContact CD2-SG 3.57Å; L35-C52 VanDerWaalsContact CG-SG 3.58Å; L35-F53 VanDerWaalsContact CA-O 3.32Å; L35-F53 WeakPolarHBondContact CA-O 3.09Å; L35-V54 HydrophobicContact CD1-CB 4.45Å; L35-V54 HydrophobicContact CD1-CG1 4.18Å; L35-V54 HydrophobicContact CD1-CG2 3.7Å; L35-V54 HydrophobicContact CG-CG2 4.15Å
36K88.3Confident81.3Confident92 Ų9267.3 Ų67.340%0.438%0.376SS..EExtended strand (participates in β ladder)trans-119.1146.4172.8-66-172.9171.8122.20110.6E34 F38 C52 F53 I88E34-K36 VanDerWaalsContact OE1-CE 3.23Å; E34-K36 WeakPolarHBondContact OE1-CE 3.34Å; E34-K36 IonicContact OE1-NZ 3.2Å; E34-K36 PolarHBondContact OE1-NZ 2.93Å; K36-F38 HydrophobicContact CB-CD2 4.4Å; K36-F38 HydrophobicContact CB-CE2 3.69Å; K36-F38 HydrophobicContact CB-CZ 4.06Å; K36-F38 HydrophobicContact CD-CE2 4.31Å; K36-F38 HydrophobicContact CD-CZ 3.98Å; K36-C52 WeakPolarHBondContact O-CA 3.22Å; K36-C52 PolarHBondContact O-SG 3.43Å; K36-F53 PolarHBondContact N-O 3.33Å; K36-F53 PolarHBondContact O-N 2.92Å; K36-I88 HydrophobicContact CB-CG2 4.19Å; K36-I88 HydrophobicContact CD-CG2 3.93Å; K36-I88 HydrophobicContact CG-CD1 4.38Å; K36-I88 HydrophobicContact CG-CG2 4.3Å
37L89Confident80.5Confident14 Ų1468.7 Ų68.77%0.07338%0.384CS..EExtended strand (participates in β ladder)trans-125.4127.3-178.5-176.592.1000107.5M22 R50 C52M22-L37 HydrophobicContact CG-CD1 4.21Å; L37-R50 HydrophobicContact CD1-CB 4.49Å; L37-C52 HydrophobicContact CD1-CB 4.11Å
38F85.1Confident79.8Confident21 Ų2172 Ų729%0.09240%0.396CS..EExtended strand (participates in β ladder)trans-129134.9-178.7-61.7-79.9000111.1K36 V51 F53 E91 A94K36-F38 HydrophobicContact CB-CD2 4.4Å; K36-F38 HydrophobicContact CB-CE2 3.69Å; K36-F38 HydrophobicContact CB-CZ 4.06Å; K36-F38 HydrophobicContact CD-CE2 4.31Å; K36-F38 HydrophobicContact CD-CZ 3.98Å; F38-V51 HydrophobicContact CB-CG1 3.94Å; F38-V51 PolarHBondContact N-O 3Å; F38-V51 PolarHBondContact O-N 3.48Å; F38-F53 HydrophobicContact CD2-CD2 4.11Å; F38-F53 HydrophobicContact CD2-CE2 4.43Å; F38-F53 HydrophobicContact CE2-CD2 4.29Å; F38-E91 HydrophobicContact CD1-CB 4.12Å; F38-E91 HydrophobicContact CD1-CG 3.79Å; F38-E91 HydrophobicContact CE1-CB 3.73Å; F38-E91 HydrophobicContact CE1-CG 3.91Å; F38-E91 HydrophobicContact CZ-CB 4.47Å; F38-A94 HydrophobicContact CB-CB 3.94Å; F38-A94 HydrophobicContact CD1-CB 4.35Å; F38-A94 HydrophobicContact CD2-CB 3.36Å; F38-A94 HydrophobicContact CE2-CB 3.82Å; F38-A94 HydrophobicContact CG-CB 3.65Å; F38-A94 HydrophobicContact CZ-CB 4.48Å
39P81.6Confident79.4Confident21 Ų2164.6 Ų64.614%0.13637%0.366CS..SBendcis-61.7157.1-12.1-18.234.2000111.2V47 L95 L98P39-V47 HydrophobicContact CB-CG2 4.14Å; P39-V47 HydrophobicContact CG-CG1 4.08Å; P39-V47 HydrophobicContact CG-CG2 3.95Å; P39-L95 HydrophobicContact CG-CD2 4.05Å; P39-L98 HydrophobicContact CG-CD2 4.26Å
40P76.4Confident79.3Confident60 Ų6063.6 Ų63.639%0.3936%0.359SS..  trans-61.4162.7-179.925.2-34.4000112.6D42 S43P40-D42 VanDerWaalsContact C-N 3.26Å; P40-D42 PolarHBondContact O-N 3.07Å; P40-S43 PolarHBondContact O-N 3.18Å; P40-S43 PolarHBondContact O-OG 3.39Å
41D68.4Low79.3Confident54 Ų5462.7 Ų62.729%0.28935%0.35SS..THydrogen-bonded Turntrans-58.7-35.7-174.4-85.9-53.9000112.8T18 S19 R50T18-D41 WeakPolarHBondContact CA-OD1 3.37Å; S19-D41 WeakPolarHBondContact CB-OD2 3.46Å; S19-D41 PolarHBondContact N-OD2 2.89Å; S19-D41 PolarHBondContact OG-OD2 3.3Å; D41-R50 PolarHBondContact O-NH2 2.64Å; D41-R50 IonicContact OD1-CZ 2.73Å; D41-R50 IonicContact OD1-NH1 2.71Å; D41-R50 PolarHBondContact OD1-NH1 3.02Å; D41-R50 IonicContact OD1-NH2 3.79Å
42D63.3Low79.1Confident157 Ų15759 Ų5984%0.8433%0.327SS*.THydrogen-bonded Turntrans-89.79.1-177.8-56.4-69.4000115.6P40 P44P40-D42 VanDerWaalsContact C-N 3.26Å; P40-D42 PolarHBondContact O-N 3.07Å; D42-P44 WeakPolarHBondContact O-CD 3.34Å
43S64.3Low79.1Confident27 Ų2757 Ų5719%0.18932%0.317CS..  trans-66124.2-177.9720000111.6P40 M45 V47P40-S43 PolarHBondContact O-N 3.18Å; P40-S43 PolarHBondContact O-OG 3.39Å; S43-M45 PolarHBondContact O-N 3.35Å; S43-M45 VanDerWaalsContact O-N 3.11Å; S43-V47 WeakPolarHBondContact OG-CG2 3.32Å
44P57.8Low79.1Confident134 Ų13451.8 Ų51.887%0.8729%0.293SS*.  trans-74.90.1-176.330.3-36.5000114.4D42D42-P44 WeakPolarHBondContact O-CD 3.34Å
45M62.6Low79.1Confident146 Ų14651.2 Ų51.272%0.71929%0.29SS*.SBendtrans-88.7147.3177.9-78.5-178.3-95.600112.1S43 V47S43-M45 PolarHBondContact O-N 3.35Å; S43-M45 VanDerWaalsContact O-N 3.11Å; M45-V47 WeakPolarHBondContact O-CG2 3.36Å; M45-V47 PolarHBondContact O-N 3.09Å
46P61.8Low79.2Confident125 Ų12550.9 Ų50.981%0.81229%0.288SS*.  trans-70.392.5-179.928.9-35.2000111.7T48P46-T48 PolarHBondContact O-N 3.31Å
47V73.9Confident79.4Confident28 Ų2851.4 Ų51.417%0.1729%0.291CS..  trans-65.9115.1-179.8-175.10000110.8P15 P39 S43 M45 S49 R50P15-V47 HydrophobicContact CB-CB 4.23Å; P15-V47 HydrophobicContact CB-CG1 4.26Å; P15-V47 WeakPolarHBondContact CB-O 3.39Å; P39-V47 HydrophobicContact CB-CG2 4.14Å; P39-V47 HydrophobicContact CG-CG1 4.08Å; P39-V47 HydrophobicContact CG-CG2 3.95Å; S43-V47 WeakPolarHBondContact OG-CG2 3.32Å; M45-V47 WeakPolarHBondContact O-CG2 3.36Å; M45-V47 PolarHBondContact O-N 3.09Å; V47-S49 WeakPolarHBondContact CG1-O 3.45Å; V47-R50 HydrophobicContact CG1-CG 3.58Å
48T76.6Confident79.4Confident112 Ų11255.5 Ų55.569%0.68731%0.31SS*.SBendtrans-81.6-27.5-17957.60000113.2P46 R76P46-T48 PolarHBondContact O-N 3.31Å; T48-R76 VanDerWaalsContact O-CZ 3.25Å; T48-R76 PolarHBondContact O-NH1 3.46Å; T48-R76 PolarHBondContact O-NH2 3.07Å
49S81.9Confident79.6Confident17 Ų1756.2 Ų56.212%0.11932%0.317CS..  trans-159.7161.5171.761.30000109V47 L98V47-S49 WeakPolarHBondContact CG1-O 3.45Å; S49-L98 WeakPolarHBondContact OG-CD1 3.4Å
50R86.3Confident80Confident13 Ų1362.7 Ų62.75%0.04935%0.345CS..EExtended strand (participates in β ladder)trans-115.4155.9174.7-72.7177.8170.7176.1-7.2111.6V13 P15 T17 L37 D41 V47 L98V13-R50 HydrophobicContact CB-CB 3.85Å; V13-R50 VanDerWaalsContact CB-O 3.31Å; V13-R50 WeakPolarHBondContact CB-O 3.44Å; V13-R50 HydrophobicContact CG1-CB 4.19Å; V13-R50 PolarHBondContact N-O 3.45Å; V13-R50 PolarHBondContact O-N 2.72Å; P15-R50 PolarHBondContact O-NH1 3.2Å; T17-R50 PolarHBondContact O-NH1 3.22Å; L37-R50 HydrophobicContact CD1-CB 4.49Å; D41-R50 PolarHBondContact O-NH2 2.64Å; D41-R50 IonicContact OD1-CZ 2.73Å; D41-R50 IonicContact OD1-NH1 2.71Å; D41-R50 PolarHBondContact OD1-NH1 3.02Å; D41-R50 IonicContact OD1-NH2 3.79Å; V47-R50 HydrophobicContact CG1-CG 3.58Å; R50-L98 VanDerWaalsContact C-CD1 3.47Å
51V88.8Confident80.7Confident0 Ų060.4 Ų60.40%033%0.331CS..EExtended strand (participates in β ladder)trans-116.9143165.662.10000108.9Q9 V10 T11 F38 F53 A94 L98Q9-V51 HydrophobicContact CG-CG2 4.07Å; V10-V51 CarbonylContact O-C 3.57Å; V10-V51 WeakPolarHBondContact O-CA 3.42Å; V10-V51 WeakPolarHBondContact O-CG2 3.24Å; T11-V51 HydrophobicContact CG2-CB 4.44Å; T11-V51 HydrophobicContact CG2-CG2 3.82Å; F38-V51 HydrophobicContact CB-CG1 3.94Å; F38-V51 PolarHBondContact N-O 3Å; F38-V51 PolarHBondContact O-N 3.48Å; V51-F53 HydrophobicContact CG1-CE2 4.1Å; V51-F53 HydrophobicContact CG2-CD2 4.28Å; V51-F53 HydrophobicContact CG2-CE2 3.65Å; V51-F53 HydrophobicContact CG2-CZ 4Å; V51-A94 HydrophobicContact CG1-CB 4.3Å; V51-L98 HydrophobicContact CB-CD1 4.05Å; V51-L98 HydrophobicContact CG1-CB 4.23Å; V51-L98 HydrophobicContact CG1-CD1 4.28Å
52C90.1Very high81.6Confident0 Ų058 Ų580%032%0.318CS..EExtended strand (participates in β ladder)trans-127.4137.2176.4-174.60000109.7V10 V13 M22 L35 K36 L37V10-C52 HydrophobicContact CB-CB 4.24Å; V10-C52 PolarHBondContact N-O 3.41Å; V10-C52 PolarHBondContact O-N 3.15Å; V13-C52 HydrophobicContact CG2-CB 4.32Å; M22-C52 HydrophobicContact CE-CB 3.46Å; M22-C52 VanDerWaalsContact CE-CB 3.46Å; L35-C52 VanDerWaalsContact CD2-SG 3.57Å; L35-C52 VanDerWaalsContact CG-SG 3.58Å; K36-C52 WeakPolarHBondContact O-CA 3.22Å; K36-C52 PolarHBondContact O-SG 3.43Å; L37-C52 HydrophobicContact CD1-CB 4.11Å
53F91.6Very high82.9Confident0 Ų050.8 Ų50.80%028%0.282CS..EExtended strand (participates in β ladder)trans-112.6127.1173.1-68.9-89.2000108.7V8 Q9 L35 K36 F38 V51 F83 I88 P89 A94 L97V8-F53 WeakPolarHBondContact O-CA 3.44Å; Q9-F53 HydrophobicContact CB-CD1 4.05Å; Q9-F53 HydrophobicContact CB-CE1 3.69Å; Q9-F53 HydrophobicContact CB-CZ 4.46Å; Q9-F53 HydrophobicContact CG-CD1 4.29Å; Q9-F53 HydrophobicContact CG-CE1 3.6Å; Q9-F53 HydrophobicContact CG-CZ 3.86Å; L35-F53 VanDerWaalsContact CA-O 3.32Å; L35-F53 WeakPolarHBondContact CA-O 3.09Å; K36-F53 PolarHBondContact N-O 3.33Å; K36-F53 PolarHBondContact O-N 2.92Å; F38-F53 HydrophobicContact CD2-CD2 4.11Å; F38-F53 HydrophobicContact CD2-CE2 4.43Å; F38-F53 HydrophobicContact CE2-CD2 4.29Å; V51-F53 HydrophobicContact CG1-CE2 4.1Å; V51-F53 HydrophobicContact CG2-CD2 4.28Å; V51-F53 HydrophobicContact CG2-CE2 3.65Å; V51-F53 HydrophobicContact CG2-CZ 4Å; F53-F83 HydrophobicContact CE1-CD2 4.27Å; F53-F83 HydrophobicContact CE1-CE2 4.43Å; F53-F83 HydrophobicContact CE1-CG 4.41Å; F53-I88 HydrophobicContact CB-CB 4.38Å; F53-I88 HydrophobicContact CB-CD1 4.18Å; F53-I88 HydrophobicContact CB-CG1 4.09Å; F53-I88 HydrophobicContact CB-CG2 3.66Å; F53-I88 HydrophobicContact CG-CG2 4.19Å; F53-P89 HydrophobicContact CD1-CG 3.81Å; F53-P89 HydrophobicContact CD2-CG 4.32Å; F53-P89 HydrophobicContact CE1-CG 3.41Å; F53-P89 VanDerWaalsContact CE1-CG 3.41Å; F53-P89 HydrophobicContact CE2-CG 3.98Å; F53-P89 HydrophobicContact CG-CG 4.25Å; F53-P89 HydrophobicContact CZ-CG 3.51Å; F53-A94 HydrophobicContact CD2-CB 4.4Å; F53-A94 HydrophobicContact CE2-CB 3.67Å; F53-A94 HydrophobicContact CZ-CB 4.48Å; F53-L97 HydrophobicContact CE1-CD1 4.45Å; F53-L97 HydrophobicContact CZ-CD1 3.96Å
54V91.6Very high84.1Confident0 Ų053 Ų530%029%0.293CS..EExtended strand (participates in β ladder)trans-122.8118.3-176.2-167.50000108.8V7 V8 V10 F26 I32 L35 F56V7-V54 CarbonylContact C-O 3.56Å; V7-V54 WeakPolarHBondContact CA-O 3.5Å; V8-V54 HydrophobicContact CB-CB 4.49Å; V8-V54 PolarHBondContact N-O 2.98Å; V8-V54 PolarHBondContact O-N 2.8Å; V10-V54 HydrophobicContact CG2-CG2 4.34Å; F26-V54 HydrophobicContact CB-CG1 4.18Å; F26-V54 HydrophobicContact CD2-CG2 3.89Å; F26-V54 HydrophobicContact CE2-CG2 4.27Å; F26-V54 HydrophobicContact CG-CG1 4.47Å; F26-V54 HydrophobicContact CG-CG2 4.2Å; I32-V54 HydrophobicContact CD1-CG1 4.09Å; I32-V54 HydrophobicContact CG1-CG1 3.97Å; I32-V54 HydrophobicContact CG2-CG1 4.02Å; L35-V54 HydrophobicContact CD1-CB 4.45Å; L35-V54 HydrophobicContact CD1-CG1 4.18Å; L35-V54 HydrophobicContact CD1-CG2 3.7Å; L35-V54 HydrophobicContact CG-CG2 4.15Å; V54-F56 HydrophobicContact CB-CE2 4.08Å; V54-F56 HydrophobicContact CB-CZ 4.45Å; V54-F56 HydrophobicContact CG1-CD2 4.24Å; V54-F56 HydrophobicContact CG1-CE1 4.22Å; V54-F56 HydrophobicContact CG1-CE2 3.71Å; V54-F56 HydrophobicContact CG1-CZ 3.71Å
55K91.7Very high85.7Confident47 Ų4746.6 Ų46.620%0.20425%0.252CS..EExtended strand (participates in β ladder)trans-96.2119.2171.9-171.7-174.7-172.7-162.60108.3V7 E33 E34 I88V7-K55 HydrophobicContact CG2-CB 4.1Å; V7-K55 HydrophobicContact CG2-CG 3.94Å; E33-K55 HydrophobicContact CB-CD 4.27Å; E33-K55 HydrophobicContact CB-CG 4.27Å; E33-K55 VanDerWaalsContact CD-CE 3.48Å; E33-K55 HydrophobicContact CG-CD 4.36Å; E33-K55 PolarHBondContact N-O 3.35Å; E33-K55 WeakPolarHBondContact OE1-CE 3.39Å; E33-K55 IonicContact OE1-NZ 3.47Å; E33-K55 PolarHBondContact OE1-NZ 3.3Å; E33-K55 WeakPolarHBondContact OE2-CD 3.33Å; E33-K55 WeakPolarHBondContact OE2-CE 3.47Å; E33-K55 IonicContact OE2-NZ 3.17Å; E33-K55 PolarHBondContact OE2-NZ 2.73Å; E34-K55 HydrophobicContact CB-CB 3.9Å; E34-K55 HydrophobicContact CB-CD 4.16Å; E34-K55 PolarHBondContact N-O 2.96Å; E34-K55 PolarHBondContact O-N 3.08Å; K55-I88 HydrophobicContact CB-CD1 4.32Å; K55-I88 HydrophobicContact CB-CG1 4.42Å
56F92.4Very high87Confident0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-94.4151.2174.2-68.5-82.8000111R6 V8 F26 T31 I32 V54 E58 V62 S65R6-F56 WeakPolarHBondContact CB-O 2.99Å; R6-F56 PolarHBondContact O-N 3.41Å; V8-F56 HydrophobicContact CB-CE2 4.23Å; V8-F56 HydrophobicContact CG2-CD2 4.01Å; V8-F56 HydrophobicContact CG2-CE2 3.72Å; F26-F56 HydrophobicContact CB-CE1 4.28Å; F26-F56 HydrophobicContact CB-CZ 3.91Å; F26-F56 AromaticContact CD1-CZ 3.89Å; F26-F56 HydrophobicContact CD1-CZ 3.89Å; F26-F56 HydrophobicContact CG-CZ 4.23Å; T31-F56 WeakPolarHBondContact O-CA 3.19Å; I32-F56 HydrophobicContact CG1-CD1 4.38Å; I32-F56 HydrophobicContact CG1-CE1 4.08Å; V54-F56 HydrophobicContact CB-CE2 4.08Å; V54-F56 HydrophobicContact CB-CZ 4.45Å; V54-F56 HydrophobicContact CG1-CD2 4.24Å; V54-F56 HydrophobicContact CG1-CE1 4.22Å; V54-F56 HydrophobicContact CG1-CE2 3.71Å; V54-F56 HydrophobicContact CG1-CZ 3.71Å; F56-E58 VanDerWaalsContact C-N 3.33Å; F56-E58 WeakPolarHBondContact CB-O 3.43Å; F56-V62 HydrophobicContact CD2-CG2 4.26Å; F56-S65 WeakPolarHBondContact CE2-OG 3.34Å; F56-S65 VanDerWaalsContact CZ-OG 3.25Å; F56-S65 WeakPolarHBondContact CZ-OG 3.39Å
57Q92Very high88.4Confident103 Ų10344.3 Ų44.348%0.48123%0.229SC..SBendtrans-63.9-43169-168.8174.819.600110.9R6 T31R6-Q57 WeakPolarHBondContact CD-O 3.38Å; R6-Q57 PolarHBondContact NH1-O 3.12Å; T31-Q57 VanDerWaalsContact CB-OE1 3.32Å; T31-Q57 PolarHBondContact O-N 2.97Å; T31-Q57 WeakPolarHBondContact OG1-CB 3.31Å; T31-Q57 PolarHBondContact OG1-OE1 3.38Å
58E89.9Confident89.2Confident100 Ų10044.6 Ų44.647%0.46723%0.229SC..SBendtrans-107135.2-175.8-69.4-57.9150.500113.1F56 E60 S61F56-E58 VanDerWaalsContact C-N 3.33Å; F56-E58 WeakPolarHBondContact CB-O 3.43Å; E58-E60 VanDerWaalsContact C-N 3.27Å; E58-E60 PolarHBondContact O-N 2.83Å; E58-S61 PolarHBondContact O-N 2.89Å
59P88.9Confident89.9Confident37 Ų3741.4 Ų41.424%0.2421%0.209CC..THydrogen-bonded Turntrans-71-18.9176.929.3-34000113.4Y3 R6 S61 V62Y3-P59 WeakPolarHBondContact O-CB 3.49Å; R6-P59 HydrophobicContact CG-CB 4.32Å; P59-S61 VanDerWaalsContact C-N 3.27Å; P59-S61 PolarHBondContact O-N 3.22Å; P59-V62 WeakPolarHBondContact O-CB 3.39Å; P59-V62 PolarHBondContact O-N 3.16Å
60E89.6Confident90.3Very high156 Ų15646.5 Ų46.573%0.72924%0.235SC*.Hα-helixtrans-62.7-36.6174.4-62.5-157.6153.100111.8E58 V62 G63 V64E58-E60 VanDerWaalsContact C-N 3.27Å; E58-E60 PolarHBondContact O-N 2.83Å; E60-V62 PolarHBondContact O-N 2.96Å; E60-G63 PolarHBondContact O-N 3.41Å; E60-V64 PolarHBondContact O-N 3.23Å; E60-V64 VanDerWaalsContact O-N 3.13Å
61S90.5Very high90.6Very high13 Ų1348.6 Ų48.69%0.09125%0.249CC..Hα-helixtrans-63.4-23.8177.9-61.30000113.4L29 G30 E58 P59 S65L29-S61 PolarHBondContact O-OG 3.11Å; G30-S61 VanDerWaalsContact CA-OG 3.32Å; G30-S61 WeakPolarHBondContact CA-OG 3.36Å; E58-S61 PolarHBondContact O-N 2.89Å; P59-S61 VanDerWaalsContact C-N 3.27Å; P59-S61 PolarHBondContact O-N 3.22Å; S61-S65 WeakPolarHBondContact O-CB 3.42Å; S61-S65 PolarHBondContact O-N 3.49Å; S61-S65 PolarHBondContact O-OG 3.1Å
62V88.9Confident90.7Very high2 Ų253.2 Ų53.21%0.01228%0.278CS..Hα-helixtrans-65.5-43.7171.1175.20000110.8Y3 T5 V8 F56 P59 E60 S65 Q66 P82Y3-V62 HydrophobicContact CD1-CG1 3.93Å; Y3-V62 HydrophobicContact CG-CG1 4.45Å; T5-V62 WeakPolarHBondContact O-CG2 3.25Å; V8-V62 HydrophobicContact CG2-CB 4.12Å; V8-V62 HydrophobicContact CG2-CG1 3.92Å; V8-V62 HydrophobicContact CG2-CG2 3.87Å; F56-V62 HydrophobicContact CD2-CG2 4.26Å; P59-V62 WeakPolarHBondContact O-CB 3.39Å; P59-V62 PolarHBondContact O-N 3.16Å; E60-V62 PolarHBondContact O-N 2.96Å; V62-S65 PolarHBondContact O-N 3.16Å; V62-Q66 PolarHBondContact O-N 3.36Å; V62-P82 HydrophobicContact CG1-CB 3.74Å
63G88.9Confident90.7Very high7 Ų755.4 Ų55.47%0.07229%0.287CS..Hα-helixtrans-66-41.6176.600000113Y3 E60 S65 Q66Y3-G63 VanDerWaalsContact CE2-CA 3.43Å; Y3-G63 VanDerWaalsContact CZ-CA 3.41Å; E60-G63 PolarHBondContact O-N 3.41Å; G63-S65 VanDerWaalsContact C-N 3.34Å; G63-Q66 PolarHBondContact O-N 2.78Å
64V90.4Very high90.6Very high72 Ų7259.5 Ų59.544%0.43631%0.312SS..Hα-helixtrans-64.6-40.9173.5-1720000110.7L29 E60 Q66 H67L29-V64 HydrophobicContact CB-CG1 4.37Å; L29-V64 HydrophobicContact CD2-CB 4.3Å; L29-V64 HydrophobicContact CD2-CG1 3.81Å; L29-V64 HydrophobicContact CG-CG1 3.91Å; E60-V64 PolarHBondContact O-N 3.23Å; E60-V64 VanDerWaalsContact O-N 3.13Å; V64-Q66 VanDerWaalsContact C-N 3.31Å; V64-Q66 PolarHBondContact O-N 3.28Å; V64-H67 WeakPolarHBondContact O-CB 3.44Å; V64-H67 PolarHBondContact O-N 3.38Å; V64-H67 VanDerWaalsContact O-N 3.12Å
65S90.3Very high90.6Very high0 Ų063.9 Ų63.90%034%0.335CS..Hα-helixtrans-63.1-35.9178.5-65.20000112.6L29 F56 S61 V62 G63 H67 L68 V80L29-S65 VanDerWaalsContact CD2-CA 3.49Å; F56-S65 WeakPolarHBondContact CE2-OG 3.34Å; F56-S65 VanDerWaalsContact CZ-OG 3.25Å; F56-S65 WeakPolarHBondContact CZ-OG 3.39Å; S61-S65 WeakPolarHBondContact O-CB 3.42Å; S61-S65 PolarHBondContact O-N 3.49Å; S61-S65 PolarHBondContact O-OG 3.1Å; V62-S65 PolarHBondContact O-N 3.16Å; G63-S65 VanDerWaalsContact C-N 3.34Å; S65-H67 PolarHBondContact O-N 3.5Å; S65-L68 WeakPolarHBondContact O-CB 3.32Å; S65-L68 PolarHBondContact O-N 3.04Å; S65-V80 WeakPolarHBondContact O-CG1 3.21Å
66Q90.8Very high90.5Very high70 Ų7064.4 Ų64.433%0.32734%0.336SS..Hα-helixtrans-58.9-29.1175.8-164.717530.900112.6Y3 V62 G63 V64 L68 T69Y3-Q66 PolarHBondContact OH-OE1 2.69Å; V62-Q66 PolarHBondContact O-N 3.36Å; G63-Q66 PolarHBondContact O-N 2.78Å; V64-Q66 VanDerWaalsContact C-N 3.31Å; V64-Q66 PolarHBondContact O-N 3.28Å; Q66-L68 PolarHBondContact O-N 3Å; Q66-T69 VanDerWaalsContact O-CB 3.31Å; Q66-T69 WeakPolarHBondContact O-CB 3.33Å; Q66-T69 PolarHBondContact O-N 3.19Å; Q66-T69 VanDerWaalsContact O-N 3.14Å; Q66-T69 PolarHBondContact O-OG1 3.11Å
67H90.5Very high90.4Very high154 Ų15466 Ų6671%0.71335%0.349SS*.THydrogen-bonded Turntrans-69.9-12.5174.1-65-41.4000114.4V64 S65 T69V64-H67 WeakPolarHBondContact O-CB 3.44Å; V64-H67 PolarHBondContact O-N 3.38Å; V64-H67 VanDerWaalsContact O-N 3.12Å; S65-H67 PolarHBondContact O-N 3.5Å; H67-T69 VanDerWaalsContact C-N 3.25Å
68L90.8Very high90.5Very high34 Ų3461.1 Ų61.118%0.17833%0.326CS..THydrogen-bonded Turntrans-78.9-5.8170.1-59.5-174.9000113.2L25 F26 L29 S65 Q66 N70 T71 V80L25-L68 HydrophobicContact CD2-CD1 3.75Å; L25-L68 HydrophobicContact CG-CD1 4.46Å; F26-L68 HydrophobicContact CD1-CD1 4.25Å; F26-L68 HydrophobicContact CE1-CD1 3.78Å; F26-L68 HydrophobicContact CZ-CD1 4.34Å; L29-L68 HydrophobicContact CD1-CD1 3.94Å; L29-L68 HydrophobicContact CD2-CD1 3.56Å; L29-L68 HydrophobicContact CD2-CD2 4.47Å; L29-L68 HydrophobicContact CD2-CG 3.82Å; L29-L68 HydrophobicContact CG-CD1 4.45Å; S65-L68 WeakPolarHBondContact O-CB 3.32Å; S65-L68 PolarHBondContact O-N 3.04Å; Q66-L68 PolarHBondContact O-N 3Å; L68-N70 PolarHBondContact O-N 2.88Å; L68-T71 WeakPolarHBondContact CA-OG1 3.43Å; L68-T71 WeakPolarHBondContact O-CA 3.45Å; L68-T71 WeakPolarHBondContact O-CB 3.17Å; L68-T71 PolarHBondContact O-N 3.41Å; L68-T71 PolarHBondContact O-OG1 3.4Å; L68-V80 HydrophobicContact CB-CG2 4.19Å
69T92Very high90.6Very high45 Ų4559.2 Ų59.228%0.27632%0.319SS..THydrogen-bonded Turntrans-56.7128.7172.5-530000110.8Q66 H67 T71 L78 V80Q66-T69 VanDerWaalsContact O-CB 3.31Å; Q66-T69 WeakPolarHBondContact O-CB 3.33Å; Q66-T69 PolarHBondContact O-N 3.19Å; Q66-T69 VanDerWaalsContact O-N 3.14Å; Q66-T69 PolarHBondContact O-OG1 3.11Å; H67-T69 VanDerWaalsContact C-N 3.25Å; T69-T71 VanDerWaalsContact C-N 3.29Å; T69-L78 WeakPolarHBondContact CA-O 3.36Å; T69-V80 WeakPolarHBondContact OG1-CB 3.31Å; T69-V80 PolarHBondContact OG1-N 3Å; T69-V80 PolarHBondContact OG1-O 2.76Å
70N91.3Very high90.7Very high123 Ų12357.7 Ų57.766%0.65831%0.309SS*.THydrogen-bonded Turntrans71.47.3-170.1-45.6-75000115.9L68 L78L68-N70 PolarHBondContact O-N 2.88Å; N70-L78 PolarHBondContact N-O 3.38Å
71T91.3Very high90.8Very high57 Ų5753.4 Ų53.435%0.3529%0.293SS..  trans-74.2128.2169.9-59.20000109.4L68 T69 F73 A77 L78L68-T71 WeakPolarHBondContact CA-OG1 3.43Å; L68-T71 WeakPolarHBondContact O-CA 3.45Å; L68-T71 WeakPolarHBondContact O-CB 3.17Å; L68-T71 PolarHBondContact O-N 3.41Å; L68-T71 PolarHBondContact O-OG1 3.4Å; T69-T71 VanDerWaalsContact C-N 3.29Å; T71-F73 PolarHBondContact O-N 2.92Å; T71-A77 WeakPolarHBondContact O-CA 3.43Å; T71-L78 PolarHBondContact O-N 3.39Å
72V91.8Very high90.7Very high98 Ų9855 Ų5559%0.59430%0.303SS*.EExtended strand (participates in β ladder)trans-78.1122177.9-178.80000109.9R76 A77V72-R76 CarbonylContact C-O 3.53Å; V72-R76 VanDerWaalsContact CA-O 3.31Å; V72-R76 WeakPolarHBondContact CA-O 3.48Å; V72-A77 HydrophobicContact CG2-CB 4.47Å
73F89.6Confident90.5Very high45 Ų4556.1 Ų56.120%0.19731%0.308CS..EExtended strand (participates in β ladder)trans-120128.4172-162.8-115000109.7T17 Q21 M22 L25 T71 D75 R76 L78T17-F73 HydrophobicContact CG2-CD1 4.08Å; T17-F73 HydrophobicContact CG2-CE1 3.71Å; Q21-F73 HydrophobicContact CB-CE1 4Å; Q21-F73 HydrophobicContact CB-CZ 3.98Å; M22-F73 HydrophobicContact SD-CD1 4.37Å; M22-F73 HydrophobicContact SD-CE1 4.3Å; L25-F73 HydrophobicContact CB-CE2 4.4Å; L25-F73 HydrophobicContact CB-CZ 4.42Å; L25-F73 HydrophobicContact CD1-CD1 4.46Å; L25-F73 HydrophobicContact CD1-CD2 3.29Å; L25-F73 HydrophobicContact CD1-CE2 3.38Å; L25-F73 HydrophobicContact CD1-CG 3.87Å; L25-F73 HydrophobicContact CD1-CZ 4.02Å; T71-F73 PolarHBondContact O-N 2.92Å; F73-D75 PolarHBondContact O-N 3.01Å; F73-R76 PolarHBondContact N-O 2.96Å; F73-R76 PolarHBondContact O-N 2.9Å; F73-L78 HydrophobicContact CB-CD1 3.95Å; F73-L78 HydrophobicContact CB-CD2 4.14Å; F73-L78 HydrophobicContact CB-CG 3.93Å
74V90Very high89.9Confident87 Ų8759.9 Ų59.953%0.52734%0.339SS..THydrogen-bonded Turntrans52.6-94.6-166.5-1730000111.7T17T17-V74 VanDerWaalsContact OG1-CG2 3.26Å; T17-V74 WeakPolarHBondContact OG1-CG2 3.42Å
75D91.1Very high89Confident91 Ų9161.3 Ų61.349%0.48734%0.34SS..THydrogen-bonded Turntrans-113.2-10.3179.463.4-56.3000114S14 F73S14-D75 WeakPolarHBondContact CB-OD1 3.45Å; S14-D75 PolarHBondContact OG-OD1 3.21Å; F73-D75 PolarHBondContact O-N 3.01Å
76R89Confident87.8Confident59 Ų5963 Ų6322%0.22336%0.357CS..EExtended strand (participates in β ladder)trans-127145.6-166.1-52.7-160.9-178.7-1746.2114.7N12 T48 V72 F73 L78N12-R76 WeakPolarHBondContact O-CB 3.34Å; T48-R76 VanDerWaalsContact O-CZ 3.25Å; T48-R76 PolarHBondContact O-NH1 3.46Å; T48-R76 PolarHBondContact O-NH2 3.07Å; V72-R76 CarbonylContact C-O 3.53Å; V72-R76 VanDerWaalsContact CA-O 3.31Å; V72-R76 WeakPolarHBondContact CA-O 3.48Å; F73-R76 PolarHBondContact N-O 2.96Å; F73-R76 PolarHBondContact O-N 2.9Å; R76-L78 PolarHBondContact O-N 3.12Å
77A92Very high87Confident33 Ų3362.6 Ų62.627%0.27336%0.363SS..EExtended strand (participates in β ladder)trans-75.8117.2170.600000110.5N12 T71 V72N12-A77 PolarHBondContact ND2-O 3.01Å; T71-A77 WeakPolarHBondContact O-CA 3.43Å; V72-A77 HydrophobicContact CG2-CB 4.47Å
78L93.1Very high86.4Confident1 Ų156.2 Ų56.21%0.00533%0.334CS..  trans-67.1141.3177-61-179.5000110.9V10 V13 L25 T69 N70 T71 F73 R76 V80V10-L78 HydrophobicContact CG1-CB 4.23Å; V10-L78 HydrophobicContact CG1-CD1 4.43Å; V10-L78 HydrophobicContact CG1-CD2 4.07Å; V10-L78 HydrophobicContact CG1-CG 4.48Å; V13-L78 HydrophobicContact CG2-CD2 4.07Å; L25-L78 HydrophobicContact CD1-CD1 4.37Å; L25-L78 HydrophobicContact CD2-CD1 4.32Å; T69-L78 WeakPolarHBondContact CA-O 3.36Å; N70-L78 PolarHBondContact N-O 3.38Å; T71-L78 PolarHBondContact O-N 3.39Å; F73-L78 HydrophobicContact CB-CD1 3.95Å; F73-L78 HydrophobicContact CB-CD2 4.14Å; F73-L78 HydrophobicContact CB-CG 3.93Å; R76-L78 PolarHBondContact O-N 3.12Å; L78-V80 HydrophobicContact CB-CG2 4.38Å
79I92.1Very high85.6Confident60 Ų6054.9 Ų54.931%0.30833%0.327SS..EExtended strand (participates in β ladder)trans-113.9118.4173-62.1171.7000107.4V10 T11 N12 V81V10-I79 CarbonylContact C-O 3.57Å; V10-I79 WeakPolarHBondContact CA-O 3.44Å; T11-I79 PolarHBondContact N-O 2.97Å; T11-I79 PolarHBondContact O-N 2.99Å; T11-I79 VanDerWaalsContact O-N 3.12Å; T11-I79 WeakPolarHBondContact OG1-CB 3.48Å; N12-I79 HydrophobicContact CB-CD1 4.22Å; N12-I79 HydrophobicContact CB-CG1 4.48Å; I79-V81 HydrophobicContact CG2-CG2 4.29Å
80V91.8Very high84.8Confident5 Ų558.8 Ų58.83%0.0335%0.346CS..EExtended strand (participates in β ladder)trans-117.6116.9-169.4-169.20000110.9V8 V10 S65 L68 T69 L78V8-V80 HydrophobicContact CG1-CG1 3.25Å; V10-V80 HydrophobicContact CG1-CG2 4.32Å; V10-V80 HydrophobicContact CG2-CG1 4.47Å; S65-V80 WeakPolarHBondContact O-CG1 3.21Å; L68-V80 HydrophobicContact CB-CG2 4.19Å; T69-V80 WeakPolarHBondContact OG1-CB 3.31Å; T69-V80 PolarHBondContact OG1-N 3Å; T69-V80 PolarHBondContact OG1-O 2.76Å; L78-V80 HydrophobicContact CB-CG2 4.38Å
81V89.9Confident83.7Confident65 Ų6556.9 Ų56.939%0.39433%0.333SS..EExtended strand (participates in β ladder)trans-125.9129.7-173.9-175.60000109.6Q9 I79 F83Q9-V81 PolarHBondContact N-O 2.91Å; Q9-V81 PolarHBondContact O-N 3.31Å; I79-V81 HydrophobicContact CG2-CG2 4.29Å; V81-F83 PolarHBondContact O-N 3.17Å
82P89.3Confident82.5Confident47 Ų4757.8 Ų57.831%0.30535%0.347SS..EExtended strand (participates in β ladder)trans-66.9127.1172.128.3-33.6000110V62V62-P82 HydrophobicContact CG1-CB 3.74Å
83F85.1Confident81.3Confident25 Ų2557.7 Ų57.711%0.1134%0.338CS..EExtended strand (participates in β ladder)trans-91.8131.6-176-169.7-115.1000111.2T5 V7 Q9 F53 V81 E85 S87 P89 L97T5-F83 VanDerWaalsContact CB-O 3.23Å; T5-F83 WeakPolarHBondContact CB-O 3.19Å; T5-F83 VanDerWaalsContact CG2-O 3.25Å; T5-F83 WeakPolarHBondContact CG2-O 3.45Å; T5-F83 PolarHBondContact OG1-O 3.5Å; V7-F83 HydrophobicContact CB-CB 4.22Å; V7-F83 HydrophobicContact CG1-CB 3.93Å; V7-F83 HydrophobicContact CG1-CD1 4.08Å; V7-F83 HydrophobicContact CG1-CG 4.43Å; V7-F83 PolarHBondContact O-N 3.12Å; Q9-F83 HydrophobicContact CB-CB 4.43Å; F53-F83 HydrophobicContact CE1-CD2 4.27Å; F53-F83 HydrophobicContact CE1-CE2 4.43Å; F53-F83 HydrophobicContact CE1-CG 4.41Å; V81-F83 PolarHBondContact O-N 3.17Å; F83-E85 HydrophobicContact CD1-CB 4.24Å; F83-E85 HydrophobicContact CE1-CB 3.61Å; F83-E85 HydrophobicContact CE1-CG 3.74Å; F83-E85 HydrophobicContact CZ-CB 4.17Å; F83-E85 HydrophobicContact CZ-CG 3.74Å; F83-E85 WeakPolarHBondContact CZ-OE2 3.48Å; F83-S87 WeakPolarHBondContact CD1-O 3.48Å; F83-P89 HydrophobicContact CE1-CB 4.06Å; F83-P89 HydrophobicContact CE1-CG 3.81Å; F83-P89 HydrophobicContact CE2-CG 4.48Å; F83-P89 HydrophobicContact CZ-CB 3.94Å; F83-P89 HydrophobicContact CZ-CG 3.75Å; F83-L97 HydrophobicContact CE2-CD1 4.15Å
84A76.4Confident80.4Confident87 Ų8755.6 Ų55.672%0.71933%0.329SS*.THydrogen-bonded Turntrans-78.2-31.5-167.300000114.8G86A84-G86 PolarHBondContact O-N 2.74Å
85E70.8Confident79.6Confident101 Ų10154.9 Ų54.947%0.47232%0.322SS..THydrogen-bonded Turntrans-72.4-9.2-172.5-51.6-172.2141.900113.6F83 S87 K93F83-E85 HydrophobicContact CD1-CB 4.24Å; F83-E85 HydrophobicContact CE1-CB 3.61Å; F83-E85 HydrophobicContact CE1-CG 3.74Å; F83-E85 HydrophobicContact CZ-CB 4.17Å; F83-E85 HydrophobicContact CZ-CG 3.74Å; F83-E85 WeakPolarHBondContact CZ-OE2 3.48Å; E85-S87 PolarHBondContact O-N 2.93Å; E85-K93 IonicContact OE1-NZ 2.66Å; E85-K93 PolarHBondContact OE1-NZ 2.71Å; E85-K93 IonicContact OE2-NZ 2.84Å; E85-K93 PolarHBondContact OE2-NZ 3.14Å
86G65.8Low78.5Confident35 Ų3554.3 Ų54.336%0.36133%0.325SS..SBendtrans72.5-13.2175.100000116V7 A84V7-G86 WeakPolarHBondContact CG2-O 3.5Å; A84-G86 PolarHBondContact O-N 2.74Å
87S74.5Confident77.6Confident63 Ų6354.6 Ų54.644%0.44133%0.33SS..SBendtrans-109167.9169.657.60000111.2F83 E85F83-S87 WeakPolarHBondContact CD1-O 3.48Å; E85-S87 PolarHBondContact O-N 2.93Å
88I77.3Confident76.4Confident20 Ų2054.2 Ų54.210%0.10332%0.324CS..PPolyproline II helixtrans-80.3125.3169.1-64-172.1000108.3V7 E34 K36 F53 K55V7-I88 HydrophobicContact CG1-CG1 4.37Å; E34-I88 HydrophobicContact CB-CD1 3.93Å; E34-I88 HydrophobicContact CG-CD1 3.8Å; K36-I88 HydrophobicContact CB-CG2 4.19Å; K36-I88 HydrophobicContact CD-CG2 3.93Å; K36-I88 HydrophobicContact CG-CD1 4.38Å; K36-I88 HydrophobicContact CG-CG2 4.3Å; F53-I88 HydrophobicContact CB-CB 4.38Å; F53-I88 HydrophobicContact CB-CD1 4.18Å; F53-I88 HydrophobicContact CB-CG1 4.09Å; F53-I88 HydrophobicContact CB-CG2 3.66Å; F53-I88 HydrophobicContact CG-CG2 4.19Å; K55-I88 HydrophobicContact CB-CD1 4.32Å; K55-I88 HydrophobicContact CB-CG1 4.42Å
89P72.9Confident74.6Confident5 Ų556.3 Ų56.33%0.03234%0.341CS..PPolyproline II helixtrans-73.5155.5-178.231.9-35.8000111.9F53 F83 K93F53-P89 HydrophobicContact CD1-CG 3.81Å; F53-P89 HydrophobicContact CD2-CG 4.32Å; F53-P89 HydrophobicContact CE1-CG 3.41Å; F53-P89 VanDerWaalsContact CE1-CG 3.41Å; F53-P89 HydrophobicContact CE2-CG 3.98Å; F53-P89 HydrophobicContact CG-CG 4.25Å; F53-P89 HydrophobicContact CZ-CG 3.51Å; F83-P89 HydrophobicContact CE1-CB 4.06Å; F83-P89 HydrophobicContact CE1-CG 3.81Å; F83-P89 HydrophobicContact CE2-CG 4.48Å; F83-P89 HydrophobicContact CZ-CB 3.94Å; F83-P89 HydrophobicContact CZ-CG 3.75Å; P89-K93 HydrophobicContact CB-CB 3.79Å; P89-K93 HydrophobicContact CB-CD 3.82Å; P89-K93 HydrophobicContact CB-CG 4.49Å
90D75.4Confident72.4Confident127 Ų12758 Ų5868%0.67936%0.356SS*.PPolyproline II helixtrans-68161.6-178.9-167.119.1000113.1A92 K93 A94D90-A92 VanDerWaalsContact C-N 3.31Å; D90-A92 PolarHBondContact O-N 3.4Å; D90-K93 WeakPolarHBondContact O-CA 3.34Å; D90-K93 WeakPolarHBondContact O-CB 3.4Å; D90-K93 PolarHBondContact O-N 3.1Å; D90-A94 PolarHBondContact O-N 3.32Å
91E68.5Low70.2Confident84 Ų8461 Ų6139%0.39338%0.382SS..Hα-helixtrans-56.4-40.7-168.9-178.3160.5-14900112.9F38 K93 A94 L95F38-E91 HydrophobicContact CD1-CB 4.12Å; F38-E91 HydrophobicContact CD1-CG 3.79Å; F38-E91 HydrophobicContact CE1-CB 3.73Å; F38-E91 HydrophobicContact CE1-CG 3.91Å; F38-E91 HydrophobicContact CZ-CB 4.47Å; E91-K93 VanDerWaalsContact C-N 3.35Å; E91-K93 PolarHBondContact O-N 3.39Å; E91-A94 WeakPolarHBondContact O-CB 3.48Å; E91-A94 PolarHBondContact O-N 2.87Å; E91-A94 VanDerWaalsContact O-N 3.17Å; E91-L95 HydrophobicContact CG-CD1 3.77Å; E91-L95 HydrophobicContact CG-CG 4.15Å; E91-L95 WeakPolarHBondContact O-CB 3.41Å; E91-L95 VanDerWaalsContact O-CG 3.3Å; E91-L95 WeakPolarHBondContact O-CG 3.4Å; E91-L95 PolarHBondContact O-N 3.01Å
92A65.6Low68.1Low76 Ų7665.6 Ų65.663%0.62840%0.404SS*.Hα-helixtrans-63.2-36.4175.900000113.3D90 S96D90-A92 VanDerWaalsContact C-N 3.31Å; D90-A92 PolarHBondContact O-N 3.4Å; A92-S96 PolarHBondContact O-N 3.23Å; A92-S96 VanDerWaalsContact O-N 3.15Å; A92-S96 PolarHBondContact O-OG 3.4Å; A92-S96 VanDerWaalsContact O-OG 3.11Å
93K68.3Low65.9Low96 Ų9666.2 Ų66.242%0.41741%0.413SS..Hα-helixtrans-71.4-38.8172.3-78.3-169-178.3-173.50111.2E85 P89 D90 E91 S96 L97E85-K93 IonicContact OE1-NZ 2.66Å; E85-K93 PolarHBondContact OE1-NZ 2.71Å; E85-K93 IonicContact OE2-NZ 2.84Å; E85-K93 PolarHBondContact OE2-NZ 3.14Å; P89-K93 HydrophobicContact CB-CB 3.79Å; P89-K93 HydrophobicContact CB-CD 3.82Å; P89-K93 HydrophobicContact CB-CG 4.49Å; D90-K93 WeakPolarHBondContact O-CA 3.34Å; D90-K93 WeakPolarHBondContact O-CB 3.4Å; D90-K93 PolarHBondContact O-N 3.1Å; E91-K93 VanDerWaalsContact C-N 3.35Å; E91-K93 PolarHBondContact O-N 3.39Å; K93-S96 PolarHBondContact O-OG 3.01Å; K93-L97 WeakPolarHBondContact O-CB 3.25Å; K93-L97 WeakPolarHBondContact O-CG 3.23Å; K93-L97 PolarHBondContact O-N 3.29Å; K93-L97 VanDerWaalsContact O-N 3.17Å
94A70.1Confident64Low0 Ų068.7 Ų68.70%043%0.43CS..Hα-helixtrans-62.9-45176.200000111.9F38 V51 F53 D90 E91 L97 L98F38-A94 HydrophobicContact CB-CB 3.94Å; F38-A94 HydrophobicContact CD1-CB 4.35Å; F38-A94 HydrophobicContact CD2-CB 3.36Å; F38-A94 HydrophobicContact CE2-CB 3.82Å; F38-A94 HydrophobicContact CG-CB 3.65Å; F38-A94 HydrophobicContact CZ-CB 4.48Å; V51-A94 HydrophobicContact CG1-CB 4.3Å; F53-A94 HydrophobicContact CD2-CB 4.4Å; F53-A94 HydrophobicContact CE2-CB 3.67Å; F53-A94 HydrophobicContact CZ-CB 4.48Å; D90-A94 PolarHBondContact O-N 3.32Å; E91-A94 WeakPolarHBondContact O-CB 3.48Å; E91-A94 PolarHBondContact O-N 2.87Å; E91-A94 VanDerWaalsContact O-N 3.17Å; A94-L97 CarbonylContact O-C 3.53Å; A94-L97 PolarHBondContact O-N 3.13Å; A94-L98 PolarHBondContact O-N 3.28Å; A94-L98 VanDerWaalsContact O-N 3.08Å
95L72.8Confident62.2Low73 Ų7369 Ų6938%0.38243%0.432SS..Hα-helixtrans-69.7-35.4-179.9-68.8172.7000113.2P39 E91 L97 L98P39-L95 HydrophobicContact CG-CD2 4.05Å; E91-L95 HydrophobicContact CG-CD1 3.77Å; E91-L95 HydrophobicContact CG-CG 4.15Å; E91-L95 WeakPolarHBondContact O-CB 3.41Å; E91-L95 VanDerWaalsContact O-CG 3.3Å; E91-L95 WeakPolarHBondContact O-CG 3.4Å; E91-L95 PolarHBondContact O-N 3.01Å; L95-L97 VanDerWaalsContact C-N 3.33Å; L95-L98 HydrophobicContact CD2-CD2 4.1Å; L95-L98 VanDerWaalsContact O-CB 3.31Å; L95-L98 WeakPolarHBondContact O-CB 3.37Å; L95-L98 PolarHBondContact O-N 2.97Å; L95-L98 VanDerWaalsContact O-N 3.12Å
96S68.8Low60.8Low79 Ų7967.4 Ų67.455%0.55244%0.443SS*.Hα-helixtrans-66.8-35.1172.155.50000112.4A92 K93 L98 A99A92-S96 PolarHBondContact O-N 3.23Å; A92-S96 VanDerWaalsContact O-N 3.15Å; A92-S96 PolarHBondContact O-OG 3.4Å; A92-S96 VanDerWaalsContact O-OG 3.11Å; K93-S96 PolarHBondContact O-OG 3.01Å; S96-L98 PolarHBondContact O-N 3.23Å; S96-A99 VanDerWaalsContact O-CB 3.29Å; S96-A99 WeakPolarHBondContact O-CB 3.37Å; S96-A99 PolarHBondContact O-N 3.37Å
97L70.3Confident59.9Low64 Ų6472.4 Ų72.434%0.33546%0.46SS..THydrogen-bonded Turntrans-74.4-6.8171.3-71.3170.8000114.2F53 F83 K93 A94 L95F53-L97 HydrophobicContact CE1-CD1 4.45Å; F53-L97 HydrophobicContact CZ-CD1 3.96Å; F83-L97 HydrophobicContact CE2-CD1 4.15Å; K93-L97 WeakPolarHBondContact O-CB 3.25Å; K93-L97 WeakPolarHBondContact O-CG 3.23Å; K93-L97 PolarHBondContact O-N 3.29Å; K93-L97 VanDerWaalsContact O-N 3.17Å; A94-L97 CarbonylContact O-C 3.53Å; A94-L97 PolarHBondContact O-N 3.13Å; L95-L97 VanDerWaalsContact C-N 3.33Å
98L65.8Low58.5Low26 Ų2676 Ų7614%0.13647%0.474CS..THydrogen-bonded Turntrans-90.1-7.6172.4-171.958000112.8P39 S49 R50 V51 A94 L95 S96P39-L98 HydrophobicContact CG-CD2 4.26Å; S49-L98 WeakPolarHBondContact OG-CD1 3.4Å; R50-L98 VanDerWaalsContact C-CD1 3.47Å; V51-L98 HydrophobicContact CB-CD1 4.05Å; V51-L98 HydrophobicContact CG1-CB 4.23Å; V51-L98 HydrophobicContact CG1-CD1 4.28Å; A94-L98 PolarHBondContact O-N 3.28Å; A94-L98 VanDerWaalsContact O-N 3.08Å; L95-L98 HydrophobicContact CD2-CD2 4.1Å; L95-L98 VanDerWaalsContact O-CB 3.31Å; L95-L98 WeakPolarHBondContact O-CB 3.37Å; L95-L98 PolarHBondContact O-N 2.97Å; L95-L98 VanDerWaalsContact O-N 3.12Å; S96-L98 PolarHBondContact O-N 3.23Å
99A55.9Low56.9Low44 Ų4481.7 Ų81.736%0.36451%0.512SS..SBendtrans-50.6134.4176.600000111.1S96 A101S96-A99 VanDerWaalsContact O-CB 3.29Å; S96-A99 WeakPolarHBondContact O-CB 3.37Å; S96-A99 PolarHBondContact O-N 3.37Å; A99-A101 PolarHBondContact O-N 3.31Å
100P45.2Very low55.8Low96 Ų9685.5 Ų85.562%0.62355%0.552SS**  trans-58.8135.9-167.821.5-33.1000111.6N102 A103P100-N102 PolarHBondContact O-N 3.36Å; P100-A103 PolarHBondContact O-N 3.37Å
101A46.6Very low54.1Low69 Ų6982.8 Ų82.857%0.5755%0.554SS**Hα-helixtrans-56.2-16-167.300000115.6A99 A103 V104 A105A99-A101 PolarHBondContact O-N 3.31Å; A101-A103 PolarHBondContact O-N 2.92Å; A101-V104 PolarHBondContact O-N 3.43Å; A101-A105 PolarHBondContact O-N 3.26Å
102N45.2Very low52.8Low161 Ų16182.1 Ų82.186%0.86157%0.57SS**Hα-helixtrans-56.3-28.7169.3-65.52.4000113.2P100P100-N102 PolarHBondContact O-N 3.36Å
103A43.3Very low51.4Low60 Ų6086.6 Ų86.650%0.49658%0.582SS.*Hα-helixtrans-89.7-31.7174.600000113P100 A101 A105 G106P100-A103 PolarHBondContact O-N 3.37Å; A101-A103 PolarHBondContact O-N 2.92Å; A103-A105 PolarHBondContact O-N 2.92Å; A103-G106 PolarHBondContact O-N 2.89Å
104V43.9Very low50Low77 Ų7790.2 Ų90.247%0.46761%0.605SS.*Hα-helixtrans-71.6-17.1-172.5-174.80000112.6A101 G106 I107A101-V104 PolarHBondContact O-N 3.43Å; V104-G106 PolarHBondContact O-N 2.74Å; V104-G106 VanDerWaalsContact O-N 3.1Å; V104-I107 PolarHBondContact O-N 2.84Å
105A40.2Very low48.8Very low93 Ų9395.5 Ų95.577%0.76964%0.64SS**THydrogen-bonded Turntrans-61.5-12.9171.300000114.6A101 A103A101-A105 PolarHBondContact O-N 3.26Å; A103-A105 PolarHBondContact O-N 2.92Å
106G41.4Very low47.4Very low67 Ų6798.3 Ų98.369%0.69166%0.66SS**THydrogen-bonded Turntrans-103.7-7.8-178.800000116.6A103 V104A103-G106 PolarHBondContact O-N 2.89Å; V104-G106 PolarHBondContact O-N 2.74Å; V104-G106 VanDerWaalsContact O-N 3.1Å
107I46.3Very low45.9Very low141 Ų141100.8 Ų100.872%0.72367%0.674SS**  trans-114.545.8-168.6-36.9-177.4000112V104V104-I107 PolarHBondContact O-N 2.84Å
108L43.9Very low44.3Very low139 Ų139104.9 Ų104.973%0.72870%0.696SS**  trans-107120.6165.8-75.4175000109.7G110L108-G110 PolarHBondContact O-N 3.29Å
109P43.9Very low43.1Very low139 Ų139108.9 Ų108.990%0.90372%0.724SS**THydrogen-bonded Turntrans-69.996.7177.328.5-33.4000110.3
110G51.3Low42.2Very low85 Ų85114.6 Ų114.688%0.87675%0.748SS**THydrogen-bonded Turntrans133.6-0.2174.800000116.9L108L108-G110 PolarHBondContact O-N 3.29Å
111G38.3Very low41.9Very low70 Ų70115.8 Ų115.872%0.72276%0.755SS**  trans-98.2100.6177.200000113
112G41.9Very low41.4Very low70 Ų70119.9 Ų119.972%0.72277%0.768SS**  trans-86.9157.5-174.600000116.4
113L37.3Very low41.2Very low169 Ų169117.5 Ų117.589%0.88576%0.761SS**  trans70.496.9161.4-56.4174.7000118.8
114L38.5Very low40.8Very low172 Ų172119.7 Ų119.790%0.90178%0.779SS**  -165.3107.5122.5-107.5172.7000110.7
115P44.4Very low40.3Very low112 Ų112124.4 Ų124.473%0.72780%0.801SS**  trans-83126.1175.831.3-31.5000111.5
116T43.5Very low39.9Very low131 Ų131123.9 Ų123.980%0.80480%0.804SS**  trans-73.1141.2162.945.30000110.1N118T116-N118 PolarHBondContact O-N 3.03Å
117P37.2Very low39.4Very low132 Ų132124.2 Ų124.286%0.85781%0.807SS**  trans-72.9113.3-171.128.6-34.8000112.2
118N36Very low38.9Very low149 Ų149125.2 Ų125.280%0.79781%0.814SS**PPolyproline II helixtrans-87147.2161.2-142.940.3000108.7T116T116-N118 PolarHBondContact O-N 3.03Å
119P40.6Very low39Very low111 Ų111123.5 Ų123.572%0.72181%0.812SS**PPolyproline II helixtrans-65.6147.6-177.926.5-34000112.3
120L37.8Very low38.6Very low164 Ų164127.4 Ų127.486%0.85982%0.815SS**PPolyproline II helixtrans-71.2128.3-177-68.5163.9000111.5N122L120-N122 PolarHBondContact O-N 3.32Å
121P37.7Very low37.9Very low121 Ų121127.2 Ų127.279%0.78681%0.813SS**PPolyproline II helixtrans-72.1122.715730.5-30.5000108.6
122N37.4Very low37.9Very low155 Ų155128.3 Ų128.383%0.82982%0.815SS**PPolyproline II helixtrans-78.4135.2179-159.659.8000110L120L120-N122 PolarHBondContact O-N 3.32Å
123P40.1Very low38Very low111 Ų111130.6 Ų130.672%0.72182%0.817SS**PPolyproline II helixtrans-69147.7-177.328.2-35000112.2
124A34.6Very low38.3Very low106 Ų106129.6 Ų129.688%0.87682%0.818SS**PPolyproline II helixtrans-77.3141.3-178.300000112.9
125L34.4Very low38.6Very low176 Ų176128.3 Ų128.392%0.92181%0.811SS**  trans-155.7109.6168.9-17767.9000110.5
126G31.8Very low38.5Very low81 Ų81129.1 Ų129.184%0.83581%0.809SS**  trans74.3132.3177.600000114.3
127G30.7Very low38.7Very low74 Ų74128.3 Ų128.376%0.76381%0.806SS**  cis105.571.9-200000114.1
128N36.3Very low39.5Very low162 Ų162130 Ų13087%0.86680%0.804SS**  trans-168.6164145.3-110.610000110.8
129P45.3Very low40.2Very low104 Ų104126.6 Ų126.668%0.67580%0.797SS**  trans-131.2118.9-132.436-17.2000115.5
130F35.4Very low40.6Very low221 Ų221125.2 Ų125.297%0.96980%0.795SS**  trans-142.4139.3151.6-105.1-85000108.8
131G36.2Very low41.3Very low81 Ų81126 Ų12684%0.83579%0.792SS**  trans-94.4151.2-161.500000115.6
132A38Very low42Very low93 Ų93123.8 Ų123.877%0.76979%0.791SS**  trans-143.4141.5155.300000107.9
133P45.8Very low42.4Very low117 Ų117125.4 Ų125.476%0.7679%0.791SS**  trans-70.9150.6179.829.6-34.6000111.7
134T41.7Very low42.3Very low148 Ų148124.9 Ų124.991%0.90880%0.796SS**  trans-64.6130.517446.80000111.4
135I46.1Very low42.8Very low146 Ų146122.4 Ų122.475%0.74978%0.78SS**  trans-118.5122.8168.9-50.6177.8000107.4
136D42.7Very low43.5Very low128 Ų128120.8 Ų120.868%0.68478%0.781SS**  trans-66.8143-178.6-99.4-54.3000112.4M138 A139D136-M138 HydrophobicContact CB-CB 4.42Å; D136-M138 PolarHBondContact O-N 3.46Å; D136-A139 PolarHBondContact O-N 3.17Å
137P47.2Very low44.5Very low114 Ų114124.4 Ų124.474%0.7478%0.781SS**THydrogen-bonded Turntrans-66.2-0.8174.129.7-35.6000113.5
138M52.7Low45.5Very low168 Ų168129.6 Ų129.683%0.82879%0.787SS**THydrogen-bonded Turntrans-80.4-18.5176.4-160.4167.7-178.200113.4D136 A140D136-M138 HydrophobicContact CB-CB 4.42Å; D136-M138 PolarHBondContact O-N 3.46Å; M138-A140 VanDerWaalsContact C-N 3.34Å
139A51.1Low46.3Very low77 Ų77126.7 Ų126.764%0.63677%0.772SS**G310 helixtrans-76.7-18.6176.600000113.7D136 F141D136-A139 PolarHBondContact O-N 3.17Å; A139-F141 VanDerWaalsContact C-N 3.29Å; A139-F141 PolarHBondContact O-N 3.38Å
140A48.8Very low46.7Very low83 Ų83126.7 Ų126.769%0.68677%0.772SS**G310 helixtrans-79.2-0.9-170.500000115.4M138M138-A140 VanDerWaalsContact C-N 3.34Å
141F53.6Low47.6Very low180 Ų180123.1 Ų123.179%0.78976%0.758SS**G310 helixtrans-128.416.8-172-103.2-84.3000115.5A139 F143A139-F141 VanDerWaalsContact C-N 3.29Å; A139-F141 PolarHBondContact O-N 3.38Å; F141-F143 VanDerWaalsContact C-N 3.32Å; F141-F143 PolarHBondContact O-N 2.79Å
142G52.1Low48.3Very low74 Ų74122.6 Ų122.676%0.76375%0.745SS**  trans72.29.4161.300000117.6A144G142-A144 PolarHBondContact O-N 3.46Å
143F45Very low49Very low190 Ų190121.2 Ų121.283%0.83373%0.734SS**  trans-80.1104.4174-85.7-88.1000111.4F141 G145F141-F143 VanDerWaalsContact C-N 3.32Å; F141-F143 PolarHBondContact O-N 2.79Å; F143-G145 PolarHBondContact O-N 2.81Å
144A39.8Very low49.3Very low100 Ų100121.4 Ų121.483%0.82673%0.729SS**  trans-71.7120.3174.700000111.4G142G142-A144 PolarHBondContact O-N 3.46Å
145G43.5Very low49.9Very low53 Ų53121.1 Ų121.155%0.54672%0.717SS.*  trans-72.9150.9166.500000111.4F143 N147F143-G145 PolarHBondContact O-N 2.81Å; G145-N147 PolarHBondContact O-N 2.91Å
146P49.9Very low50.3Low143 Ų143119.9 Ų119.993%0.92971%0.712SS**SBendtrans-80.351.7-168.634.6-38.6000114
147N53.8Low51.1Low157 Ų157119.3 Ų119.384%0.8471%0.708SS**  trans-16383.5167.7-139-3.9000113.2G145G145-N147 PolarHBondContact O-N 2.91Å
148M49.7Very low51.2Low183 Ų183120.6 Ų120.690%0.90170%0.702SS**  trans-149.7150169.8-93.3-56.6-162.400112.4
149N53.3Low51.1Low100 Ų100119.2 Ų119.254%0.53570%0.695SS.*  trans-76.1127.6-174.3-177.921.4000112.4Q151N149-Q151 PolarHBondContact ND2-OE1 2.84Å; N149-Q151 PolarHBondContact O-N 3.48Å; N149-Q151 VanDerWaalsContact O-N 3.08Å
150P54.5Low51.1Low104 Ų104123.4 Ų123.468%0.67570%0.703SS**THydrogen-bonded Turntrans-58.5-23.7-174.918.9-34000116.4A152 A153P150-A152 PolarHBondContact O-N 3.31Å; P150-A153 PolarHBondContact O-N 3.44Å
151Q53.8Low51.5Low147 Ų147123.6 Ų123.669%0.68770%0.696SS**Hα-helixtrans-68.8-14.1-173.7-67.9173.9-51.200115.1N149N149-Q151 PolarHBondContact ND2-OE1 2.84Å; N149-Q151 PolarHBondContact O-N 3.48Å; N149-Q151 VanDerWaalsContact O-N 3.08Å
152A52Low50.9Low69 Ų69121.1 Ų121.157%0.5769%0.691SS**Hα-helixtrans-80.6-21.2179.300000114P150P150-A152 PolarHBondContact O-N 3.31Å
153A51.7Low50.9Low65 Ų65123.6 Ų123.654%0.53769%0.694SS.*Hα-helixtrans-75.7-47.5-176.300000112.5P150 Q155 L156 L157P150-A153 PolarHBondContact O-N 3.44Å; A153-Q155 VanDerWaalsContact C-N 3.26Å; A153-Q155 PolarHBondContact O-N 3.28Å; A153-L156 PolarHBondContact O-N 2.66Å; A153-L157 PolarHBondContact O-N 3.18Å
154D52.7Low51.4Low121 Ų121123.7 Ų123.765%0.64769%0.694SS**Hα-helixtrans-59.6-35.6-179.3-82.3-7.9000112.7L156 L157 K158D154-L156 PolarHBondContact O-N 3.21Å; D154-L157 PolarHBondContact O-N 2.95Å; D154-K158 WeakPolarHBondContact O-CB 3.45Å; D154-K158 PolarHBondContact O-N 2.91Å
155Q54.9Low52Low142 Ų142126.5 Ų126.566%0.66469%0.694SS**Hα-helixtrans-70.8-30.7-176-167.216274.400112.7A153 M159A153-Q155 VanDerWaalsContact C-N 3.26Å; A153-Q155 PolarHBondContact O-N 3.28Å; Q155-M159 VanDerWaalsContact O-CE 3.3Å; Q155-M159 WeakPolarHBondContact O-CE 3.46Å
156L54.7Low52.2Low120 Ų120130.8 Ų130.863%0.62871%0.705SS**Hα-helixtrans-73.2-41.7171.6-77.4168.3000111.8A153 D154 K158 M159A153-L156 PolarHBondContact O-N 2.66Å; D154-L156 PolarHBondContact O-N 3.21Å; L156-K158 VanDerWaalsContact C-N 3.32Å; L156-K158 PolarHBondContact O-N 3.43Å; L156-M159 HydrophobicContact CD2-CE 4.06Å; L156-M159 PolarHBondContact O-N 2.82Å
157L57.5Low52.2Low115 Ų115130 Ų13060%0.60270%0.699SS**Hα-helixtrans-63.2-39.9178-17162000111.5A153 D154 M159 M160A153-L157 PolarHBondContact O-N 3.18Å; D154-L157 PolarHBondContact O-N 2.95Å; L157-M159 VanDerWaalsContact C-N 3.29Å; L157-M159 PolarHBondContact O-N 2.89Å; L157-M160 PolarHBondContact O-N 2.79Å; L157-M160 VanDerWaalsContact O-N 3.15Å
158K50.6Low51.9Low141 Ų141130.3 Ų130.361%0.61370%0.7SS**Hα-helixtrans-62.3-31.5178.6-164.6122-175.4174.20113.8D154 L156 M160 T161D154-K158 WeakPolarHBondContact O-CB 3.45Å; D154-K158 PolarHBondContact O-N 2.91Å; L156-K158 VanDerWaalsContact C-N 3.32Å; L156-K158 PolarHBondContact O-N 3.43Å; K158-M160 PolarHBondContact O-N 3.39Å; K158-T161 PolarHBondContact O-OG1 3.44Å
159M50Low51.8Low140 Ų140125 Ų12569%0.6969%0.686SS**THydrogen-bonded Turntrans-74.3-5.5177.8-75.4-174-78.900114.1Q155 L156 L157Q155-M159 VanDerWaalsContact O-CE 3.3Å; Q155-M159 WeakPolarHBondContact O-CE 3.46Å; L156-M159 HydrophobicContact CD2-CE 4.06Å; L156-M159 PolarHBondContact O-N 2.82Å; L157-M159 VanDerWaalsContact C-N 3.29Å; L157-M159 PolarHBondContact O-N 2.89Å
160M51.3Low51.4Low164 Ų164124.6 Ų124.681%0.80870%0.696SS**THydrogen-bonded Turntrans-103.2-1.2178-59.4-169.975.700114L157 K158L157-M160 PolarHBondContact O-N 2.79Å; L157-M160 VanDerWaalsContact O-N 3.15Å; K158-M160 PolarHBondContact O-N 3.39Å
161T57Low51Low88 Ų88122.9 Ų122.954%0.5470%0.697SS.*  trans-121.1-2-165.153.70000116.9K158 P163K158-T161 PolarHBondContact O-OG1 3.44Å; T161-P163 WeakPolarHBondContact O-CD 3.43Å
162D41.1Very low50.9Low127 Ų127123 Ų12368%0.67970%0.702SS**  trans-92112.9-175.4-76.5-20.5000112.8K164D162-K164 PolarHBondContact O-N 2.85Å
163P52.8Low50.9Low126 Ų126125.5 Ų125.582%0.81871%0.706SS**  trans-98.946-165.440-37.2000113.7T161T161-P163 WeakPolarHBondContact O-CD 3.43Å
164K55.5Low50.7Low192 Ų192129.8 Ų129.884%0.83572%0.719SS**  trans-138.7146.8178.8-87.1178.8177.2170.20113.5D162D162-K164 PolarHBondContact O-N 2.85Å
165L52.4Low50.6Low160 Ų160128.4 Ų128.484%0.83872%0.718SS**SBendtrans73.585.7179.8-51.2-179000116.3
166N48Very low50.2Low142 Ų142124.2 Ų124.276%0.75971%0.708SS**  trans-177.293.7131.8-95.5-31000111.6L168N166-L168 PolarHBondContact O-N 3.31Å
167P48.4Very low49.8Very low126 Ų126121.7 Ų121.782%0.81870%0.701SS**THydrogen-bonded Turntrans-79.135-173.835.1-37.6000114.4
168L47.6Very low49.5Very low165 Ų165122.9 Ų122.986%0.86471%0.707SS**THydrogen-bonded Turntrans-130.2-5.3-179.9-72175000114.4N166 A170N166-L168 PolarHBondContact O-N 3.31Å; L168-A170 VanDerWaalsContact C-N 3.29Å; L168-A170 PolarHBondContact O-N 2.97Å
169A47Very low49.6Very low72 Ų72123.8 Ų123.860%0.59571%0.711SS**G310 helixtrans-81.9-0.2179.300000114.6G171A169-G171 PolarHBondContact O-N 3.43Å; A169-G171 VanDerWaalsContact O-N 3.16Å
170A45.8Very low49.9Very low91 Ų91119.1 Ų119.175%0.75270%0.695SS**G310 helixtrans-71.2-7.9-170.400000115.4L168L168-A170 VanDerWaalsContact C-N 3.29Å; L168-A170 PolarHBondContact O-N 2.97Å
171G46.4Very low50.1Low68 Ų68115.5 Ų115.570%0.70168%0.679SS**G310 helixtrans-86.2-12.4-170.500000117.4A169A169-G171 PolarHBondContact O-N 3.43Å; A169-G171 VanDerWaalsContact O-N 3.16Å
172L51.4Low50.4Low148 Ų148113.6 Ų113.678%0.77567%0.672SS**SBendtrans-121.9-19.6-164.9-67.3173.6000116.4L174L172-L174 PolarHBondContact O-N 3.31Å
173N51.1Low51.4Low123 Ų123109.8 Ų109.866%0.65866%0.655SS**G310 helixtrans-85.9-6.2-168.3-76.3-3000116S175 A176N173-S175 PolarHBondContact O-N 3.31Å; N173-S175 VanDerWaalsContact O-N 3.13Å; N173-A176 PolarHBondContact O-N 3.19Å
174L48.8Very low52.4Low155 Ų155108.2 Ų108.281%0.81264%0.64SS**G310 helixtrans-66.9-12.9-178.3-69.3172000114.4L172L172-L174 PolarHBondContact O-N 3.31Å
175S49.3Very low53.6Low91 Ų91106.6 Ų106.664%0.63663%0.633SS**G310 helixtrans-97.2-7.9177.566.50000114.6N173N173-S175 PolarHBondContact O-N 3.31Å; N173-S175 VanDerWaalsContact O-N 3.13Å
176A46.8Very low54.8Low54 Ų54105.5 Ų105.545%0.44662%0.623SS.*THydrogen-bonded Turntrans-97.9-45.3-173.900000113.3N173 L178 K179 A180N173-A176 PolarHBondContact O-N 3.19Å; A176-L178 PolarHBondContact O-N 2.82Å; A176-K179 PolarHBondContact O-N 3.19Å; A176-A180 PolarHBondContact O-N 2.83Å
177S47.8Very low56.3Low68 Ų68103.5 Ų103.548%0.47661%0.611SS.*Hα-helixtrans-57.1-48.9-175.4-158.80000112K179 A180 D181S177-K179 PolarHBondContact O-N 3.33Å; S177-A180 WeakPolarHBondContact O-CA 3.48Å; S177-A180 WeakPolarHBondContact O-CB 3.32Å; S177-A180 PolarHBondContact O-N 3.23Å; S177-D181 VanDerWaalsContact C-OD2 3.3Å; S177-D181 VanDerWaalsContact O-CG 3.32Å; S177-D181 PolarHBondContact O-N 3.43Å; S177-D181 PolarHBondContact OG-OD2 3.32Å
178L51.4Low58Low140 Ų140104.2 Ų104.273%0.73360%0.604SS**Hα-helixtrans-57.8-18.1179.2-61.6176.9000114.4A176A176-L178 PolarHBondContact O-N 2.82Å
179K51.8Low59.7Low159 Ų159101 Ų10169%0.69159%0.585SS**Hα-helixtrans-93.3-38.1171.3-72.6-179.2176.1175.90112.6A176 S177 A182 S183A176-K179 PolarHBondContact O-N 3.19Å; S177-K179 PolarHBondContact O-N 3.33Å; K179-A182 PolarHBondContact O-N 3.29Å; K179-S183 PolarHBondContact O-N 3.25Å; K179-S183 PolarHBondContact O-OG 3.11Å
180A56.4Low61.4Low43 Ų4399.9 Ų99.936%0.35558%0.575SS.*Hα-helixtrans-58.4-49173.200000110.7A176 S177 A182 S183 N184A176-A180 PolarHBondContact O-N 2.83Å; S177-A180 WeakPolarHBondContact O-CA 3.48Å; S177-A180 WeakPolarHBondContact O-CB 3.32Å; S177-A180 PolarHBondContact O-N 3.23Å; A180-A182 VanDerWaalsContact C-N 3.33Å; A180-A182 PolarHBondContact O-N 2.98Å; A180-S183 WeakPolarHBondContact CA-OG 3.46Å; A180-S183 PolarHBondContact O-N 2.93Å; A180-S183 VanDerWaalsContact O-N 3.17Å; A180-S183 PolarHBondContact O-OG 3.18Å; A180-N184 WeakPolarHBondContact O-CB 3.42Å; A180-N184 VanDerWaalsContact O-CG 3.23Å; A180-N184 PolarHBondContact O-N 3.06Å; A180-N184 PolarHBondContact O-ND2 2.98Å
181D55.3Low63.1Low88 Ų88100.7 Ų100.747%0.47157%0.565SS.*Hα-helixtrans-62.4-37.7179.8-60.7-45.5000112.2S177 K185S177-D181 VanDerWaalsContact C-OD2 3.3Å; S177-D181 VanDerWaalsContact O-CG 3.32Å; S177-D181 PolarHBondContact O-N 3.43Å; S177-D181 PolarHBondContact OG-OD2 3.32Å; D181-K185 PolarHBondContact O-N 3.23Å
182A62.6Low65.2Low48 Ų48104.1 Ų104.140%0.39756%0.56SS.*Hα-helixtrans-65.3-48.4172.500000112K179 A180 N184 K185 E186K179-A182 PolarHBondContact O-N 3.29Å; A180-A182 VanDerWaalsContact C-N 3.33Å; A180-A182 PolarHBondContact O-N 2.98Å; A182-N184 VanDerWaalsContact C-N 3.35Å; A182-N184 PolarHBondContact O-N 3.12Å; A182-K185 WeakPolarHBondContact O-CB 3.41Å; A182-K185 PolarHBondContact O-N 2.88Å; A182-E186 PolarHBondContact O-N 3.38Å
183S63.4Low66.6Low47 Ų47103.3 Ų103.333%0.32955%0.547SS..Hα-helixtrans-65.3-35.4178.861.80000113.1K179 A180 K185 E186 I187K179-S183 PolarHBondContact O-N 3.25Å; K179-S183 PolarHBondContact O-OG 3.11Å; A180-S183 WeakPolarHBondContact CA-OG 3.46Å; A180-S183 PolarHBondContact O-N 2.93Å; A180-S183 VanDerWaalsContact O-N 3.17Å; A180-S183 PolarHBondContact O-OG 3.18Å; S183-K185 VanDerWaalsContact C-N 3.32Å; S183-K185 PolarHBondContact O-N 2.88Å; S183-E186 PolarHBondContact O-N 3.01Å; S183-I187 WeakPolarHBondContact O-CB 3Å; S183-I187 WeakPolarHBondContact O-CD1 3.31Å; S183-I187 VanDerWaalsContact O-CG1 3.23Å; S183-I187 WeakPolarHBondContact O-CG1 3.37Å; S183-I187 PolarHBondContact O-N 2.9Å
184N74.4Confident68.3Low93 Ų93101 Ų10150%0.49754%0.538SS..Hα-helixtrans-63.2-40.1174.5-73-23.9000111.1A180 A182 I187 E188A180-N184 WeakPolarHBondContact O-CB 3.42Å; A180-N184 VanDerWaalsContact O-CG 3.23Å; A180-N184 PolarHBondContact O-N 3.06Å; A180-N184 PolarHBondContact O-ND2 2.98Å; A182-N184 VanDerWaalsContact C-N 3.35Å; A182-N184 PolarHBondContact O-N 3.12Å; N184-I187 PolarHBondContact O-N 2.79Å; N184-E188 WeakPolarHBondContact O-CB 3.47Å; N184-E188 PolarHBondContact O-N 2.84Å
185K79.8Confident70.2Confident157 Ų157101.5 Ų101.568%0.68353%0.528SS*.Hα-helixtrans-67.7-37.6175.5-169.9174.4-177.51760112.8D181 A182 S183 E188 E189D181-K185 PolarHBondContact O-N 3.23Å; A182-K185 WeakPolarHBondContact O-CB 3.41Å; A182-K185 PolarHBondContact O-N 2.88Å; S183-K185 VanDerWaalsContact C-N 3.32Å; S183-K185 PolarHBondContact O-N 2.88Å; K185-E188 PolarHBondContact O-N 2.55Å; K185-E189 WeakPolarHBondContact O-CB 3.33Å; K185-E189 PolarHBondContact O-N 3.16Å
186E76.9Confident71.9Confident138 Ų138102.4 Ų102.465%0.64552%0.523SS*.Hα-helixtrans-66.1-40.2172.7-71.4178.4-175.900111.9A182 S183 E189 A190A182-E186 PolarHBondContact O-N 3.38Å; S183-E186 PolarHBondContact O-N 3.01Å; E186-E189 PolarHBondContact O-N 2.98Å; E186-A190 WeakPolarHBondContact O-CB 3.36Å; E186-A190 PolarHBondContact O-N 2.87Å
187I80.3Confident73.7Confident99 Ų99102 Ų10251%0.50852%0.519SS..Hα-helixtrans-65.6-41.4174.4-69.3163.1000111.1S183 N184 A190 M191S183-I187 WeakPolarHBondContact O-CB 3Å; S183-I187 WeakPolarHBondContact O-CD1 3.31Å; S183-I187 VanDerWaalsContact O-CG1 3.23Å; S183-I187 WeakPolarHBondContact O-CG1 3.37Å; S183-I187 PolarHBondContact O-N 2.9Å; N184-I187 PolarHBondContact O-N 2.79Å; I187-A190 PolarHBondContact O-N 2.86Å; I187-M191 WeakPolarHBondContact O-CB 3.33Å; I187-M191 WeakPolarHBondContact O-CG 3.47Å; I187-M191 PolarHBondContact O-N 2.83Å
188E83.1Confident75.2Confident141 Ų141104 Ų10466%0.65952%0.521SS*.Hα-helixtrans-65.2-42.6175.5-173.9176-154.600111.6N184 K185 A190 M191 K192N184-E188 WeakPolarHBondContact O-CB 3.47Å; N184-E188 PolarHBondContact O-N 2.84Å; K185-E188 PolarHBondContact O-N 2.55Å; E188-A190 VanDerWaalsContact C-N 3.33Å; E188-A190 PolarHBondContact O-N 3.18Å; E188-M191 PolarHBondContact O-N 3.13Å; E188-K192 WeakPolarHBondContact O-CB 3.47Å; E188-K192 PolarHBondContact O-N 3.29Å
189E83.8Confident76.8Confident99 Ų99101.1 Ų101.146%0.46351%0.512SS..Hα-helixtrans-66.1-36.2176.2-154.9-166.7-158.200111.8K185 E186 K192 R193K185-E189 WeakPolarHBondContact O-CB 3.33Å; K185-E189 PolarHBondContact O-N 3.16Å; E186-E189 PolarHBondContact O-N 2.98Å; E189-K192 PolarHBondContact O-N 2.9Å; E189-R193 WeakPolarHBondContact O-CG 3.46Å; E189-R193 PolarHBondContact O-N 3.35Å; E189-R193 IonicContact OE1-CZ 2.73Å; E189-R193 IonicContact OE1-NH1 3.79Å; E189-R193 IonicContact OE1-NH2 3.17Å; E189-R193 PolarHBondContact OE1-NH2 2.68Å; E189-R193 IonicContact OE2-CZ 3.67Å; E189-R193 IonicContact OE2-NH1 2.92Å; E189-R193 PolarHBondContact OE2-NH1 2.81Å; E189-R193 IonicContact OE2-NH2 2.9Å; E189-R193 PolarHBondContact OE2-NH2 3.4Å
190A82.3Confident78Confident48 Ų4899 Ų9940%0.39751%0.508SS..Hα-helixtrans-64.4-46.3170.700000111.9E186 I187 E188 K192 R193 V194E186-A190 WeakPolarHBondContact O-CB 3.36Å; E186-A190 PolarHBondContact O-N 2.87Å; I187-A190 PolarHBondContact O-N 2.86Å; E188-A190 VanDerWaalsContact C-N 3.33Å; E188-A190 PolarHBondContact O-N 3.18Å; A190-K192 VanDerWaalsContact C-N 3.26Å; A190-K192 PolarHBondContact O-N 3.02Å; A190-R193 PolarHBondContact O-N 2.96Å; A190-V194 WeakPolarHBondContact O-CG2 3.49Å; A190-V194 PolarHBondContact O-N 3.48Å
191M81.8Confident78.9Confident108 Ų108101.7 Ų101.753%0.53252%0.516SS..Hα-helixtrans-62.2-31.8174.9-79-70.4-163.600112.9I187 E188 R195I187-M191 WeakPolarHBondContact O-CB 3.33Å; I187-M191 WeakPolarHBondContact O-CG 3.47Å; I187-M191 PolarHBondContact O-N 2.83Å; E188-M191 PolarHBondContact O-N 3.13Å; M191-R195 PolarHBondContact O-N 2.91Å; M191-R195 VanDerWaalsContact O-N 3.13Å
192K90.3Very high79.8Confident140 Ų140100.9 Ų100.961%0.60952%0.517SS*.Hα-helixtrans-69.5-46.9172.2-174.2179.8177.1-176.90111.1E188 E189 A190 V194 R195 E196E188-K192 WeakPolarHBondContact O-CB 3.47Å; E188-K192 PolarHBondContact O-N 3.29Å; E189-K192 PolarHBondContact O-N 2.9Å; A190-K192 VanDerWaalsContact C-N 3.26Å; A190-K192 PolarHBondContact O-N 3.02Å; K192-V194 VanDerWaalsContact C-N 3.3Å; K192-V194 PolarHBondContact O-N 3.25Å; K192-R195 PolarHBondContact O-N 2.98Å; K192-R195 VanDerWaalsContact O-N 3.13Å; K192-E196 WeakPolarHBondContact O-CB 3.49Å; K192-E196 PolarHBondContact O-N 2.92Å
193R81.8Confident80Confident130 Ų130102.3 Ų102.349%0.49153%0.528SS..Hα-helixtrans-61-35.4174.6-73.1179-176.1108.94.9112.7E189 A190 E196 A197E189-R193 WeakPolarHBondContact O-CG 3.46Å; E189-R193 PolarHBondContact O-N 3.35Å; E189-R193 IonicContact OE1-CZ 2.73Å; E189-R193 IonicContact OE1-NH1 3.79Å; E189-R193 IonicContact OE1-NH2 3.17Å; E189-R193 PolarHBondContact OE1-NH2 2.68Å; E189-R193 IonicContact OE2-CZ 3.67Å; E189-R193 IonicContact OE2-NH1 2.92Å; E189-R193 PolarHBondContact OE2-NH1 2.81Å; E189-R193 IonicContact OE2-NH2 2.9Å; E189-R193 PolarHBondContact OE2-NH2 3.4Å; A190-R193 PolarHBondContact O-N 2.96Å; R193-E196 PolarHBondContact O-N 2.84Å; R193-A197 VanDerWaalsContact O-CB 3.29Å; R193-A197 WeakPolarHBondContact O-CB 3.08Å; R193-A197 PolarHBondContact O-N 3.26Å
194V86.7Confident79.9Confident76 Ų76104.1 Ų104.146%0.46155%0.547SS..Hα-helixtrans-64.5-44.8172.5169.90000111A190 K192 A197 Q198A190-V194 WeakPolarHBondContact O-CG2 3.49Å; A190-V194 PolarHBondContact O-N 3.48Å; K192-V194 VanDerWaalsContact C-N 3.3Å; K192-V194 PolarHBondContact O-N 3.25Å; V194-A197 PolarHBondContact O-N 2.77Å; V194-Q198 WeakPolarHBondContact O-CB 3.31Å; V194-Q198 VanDerWaalsContact O-CG 3.29Å; V194-Q198 WeakPolarHBondContact O-CG 3.34Å; V194-Q198 PolarHBondContact O-N 3.46Å
195R89.2Confident79.6Confident164 Ų164105.6 Ų105.662%0.61955%0.553SS**Hα-helixtrans-64.8-37.9175.2-107.5171.5-75.2176.1-5.8113.1M191 K192 Q198 S199M191-R195 PolarHBondContact O-N 2.91Å; M191-R195 VanDerWaalsContact O-N 3.13Å; K192-R195 PolarHBondContact O-N 2.98Å; K192-R195 VanDerWaalsContact O-N 3.13Å; R195-Q198 PolarHBondContact O-N 3.35Å; R195-S199 WeakPolarHBondContact O-CB 3.26Å; R195-S199 PolarHBondContact O-N 2.9Å
196E84.8Confident78Confident110 Ų110105.5 Ų105.551%0.51456%0.555SS.*Hα-helixtrans-66-45.2175.2-173.8178.4172.700111.3K192 R193 S199 L200K192-E196 WeakPolarHBondContact O-CB 3.49Å; K192-E196 PolarHBondContact O-N 2.92Å; R193-E196 PolarHBondContact O-N 2.84Å; E196-S199 PolarHBondContact O-N 3.19Å; E196-L200 HydrophobicContact CG-CD1 4.45Å; E196-L200 WeakPolarHBondContact O-CG 3.38Å; E196-L200 PolarHBondContact O-N 3.4Å
197A84.5Confident76.8Confident46 Ų46105.6 Ų105.638%0.3857%0.568SS.*Hα-helixtrans-62.9-42.2173.600000112R193 V194 L200 I201R193-A197 VanDerWaalsContact O-CB 3.29Å; R193-A197 WeakPolarHBondContact O-CB 3.08Å; R193-A197 PolarHBondContact O-N 3.26Å; V194-A197 PolarHBondContact O-N 2.77Å; A197-L200 PolarHBondContact O-N 2.86Å; A197-I201 WeakPolarHBondContact O-CB 3.32Å; A197-I201 WeakPolarHBondContact O-CD1 3.47Å; A197-I201 WeakPolarHBondContact O-CG1 3.47Å; A197-I201 PolarHBondContact O-N 2.69Å
198Q79.4Confident75.3Confident111 Ų111103.9 Ų103.952%0.51958%0.575SS.*Hα-helixtrans-62.4-40.4173.3-76172.9-22.600111.9V194 R195 I201 S202V194-Q198 WeakPolarHBondContact O-CB 3.31Å; V194-Q198 VanDerWaalsContact O-CG 3.29Å; V194-Q198 WeakPolarHBondContact O-CG 3.34Å; V194-Q198 PolarHBondContact O-N 3.46Å; R195-Q198 PolarHBondContact O-N 3.35Å; Q198-I201 PolarHBondContact O-N 2.93Å; Q198-S202 PolarHBondContact O-N 2.87Å; Q198-S202 PolarHBondContact O-OG 2.93Å
199S83.6Confident73.3Confident78 Ų78105.1 Ų105.155%0.54558%0.58SS.*Hα-helixtrans-64.6-43.4175.9179.50000112.3R195 E196 I201 S202 A203R195-S199 WeakPolarHBondContact O-CB 3.26Å; R195-S199 PolarHBondContact O-N 2.9Å; E196-S199 PolarHBondContact O-N 3.19Å; S199-I201 VanDerWaalsContact C-N 3.32Å; S199-I201 PolarHBondContact O-N 2.64Å; S199-S202 PolarHBondContact O-N 2.78Å; S199-A203 WeakPolarHBondContact O-CB 3.48Å; S199-A203 PolarHBondContact O-N 3.25Å
200L77.7Confident71.9Confident115 Ų115110.2 Ų110.260%0.60260%0.6SS**Hα-helixtrans-63.1-36.8173.5-76.1164.9000112.4E196 A197 A204E196-L200 HydrophobicContact CG-CD1 4.45Å; E196-L200 WeakPolarHBondContact O-CG 3.38Å; E196-L200 PolarHBondContact O-N 3.4Å; A197-L200 PolarHBondContact O-N 2.86Å; L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.45Å
201I76.3Confident69.9Low100 Ų100116.1 Ų116.151%0.51362%0.62SS.*Hα-helixtrans-67.4-46.7174.8-73165000110.5A197 Q198 S199 A203 A204 I205A197-I201 WeakPolarHBondContact O-CB 3.32Å; A197-I201 WeakPolarHBondContact O-CD1 3.47Å; A197-I201 WeakPolarHBondContact O-CG1 3.47Å; A197-I201 PolarHBondContact O-N 2.69Å; Q198-I201 PolarHBondContact O-N 2.93Å; S199-I201 VanDerWaalsContact C-N 3.32Å; S199-I201 PolarHBondContact O-N 2.64Å; I201-A203 PolarHBondContact O-N 3.23Å; I201-A204 CarbonylContact O-C 3.56Å; I201-A204 PolarHBondContact O-N 3.1Å; I201-A204 VanDerWaalsContact O-N 3.11Å; I201-I205 HydrophobicContact CG2-CD1 3.58Å; I201-I205 HydrophobicContact CG2-CG1 4.42Å; I201-I205 WeakPolarHBondContact O-CB 3.36Å; I201-I205 VanDerWaalsContact O-CG1 3.32Å; I201-I205 WeakPolarHBondContact O-CG1 3.2Å; I201-I205 PolarHBondContact O-N 3.38Å
202S73.9Confident68Low71 Ų71115.6 Ų115.650%0.49763%0.627SS.*Hα-helixtrans-60-45.5175.7-64.60000112.1Q198 S199 A204 I205 E206Q198-S202 PolarHBondContact O-N 2.87Å; Q198-S202 PolarHBondContact O-OG 2.93Å; S199-S202 PolarHBondContact O-N 2.78Å; S202-A204 PolarHBondContact O-N 2.82Å; S202-I205 PolarHBondContact O-N 2.91Å; S202-E206 PolarHBondContact O-N 3.43Å
203A66.2Low66.1Low77 Ų77117.9 Ų117.964%0.63664%0.637SS**Hα-helixtrans-64.3-18.3176.600000113.9S199 I201S199-A203 WeakPolarHBondContact O-CB 3.48Å; S199-A203 PolarHBondContact O-N 3.25Å; I201-A203 PolarHBondContact O-N 3.23Å
204A61.5Low64.2Low86 Ų86121.9 Ų121.971%0.71166%0.658SS**Hα-helixtrans-96.2-10.117300000113.8L200 I201 S202L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.45Å; I201-A204 CarbonylContact O-C 3.56Å; I201-A204 PolarHBondContact O-N 3.1Å; I201-A204 VanDerWaalsContact O-N 3.11Å; S202-A204 PolarHBondContact O-N 2.82Å
205I67.9Low62.1Low124 Ų124126.8 Ų126.864%0.63667%0.673SS**Hα-helixtrans-108-24.2-177.2-72.7179.1000112.4I201 S202 P207I201-I205 HydrophobicContact CG2-CD1 3.58Å; I201-I205 HydrophobicContact CG2-CG1 4.42Å; I201-I205 WeakPolarHBondContact O-CB 3.36Å; I201-I205 VanDerWaalsContact O-CG1 3.32Å; I201-I205 WeakPolarHBondContact O-CG1 3.2Å; I201-I205 PolarHBondContact O-N 3.38Å; S202-I205 PolarHBondContact O-N 2.91Å; I205-P207 VanDerWaalsContact O-CD 3.23Å; I205-P207 WeakPolarHBondContact O-CD 3.44Å
206E46.2Very low59.4Low154 Ų154127.3 Ų127.372%0.7268%0.682SS**  trans-60.3114.5173.2-78.1-166.415400111.8S202 G208S202-E206 PolarHBondContact O-N 3.43Å; E206-G208 PolarHBondContact O-N 3.3Å
207P52.4Low57.4Low141 Ų141126.7 Ų126.792%0.91669%0.69SS**  trans-85.752.2-171.535.9-35.7000111.5I205I205-P207 VanDerWaalsContact O-CD 3.23Å; I205-P207 WeakPolarHBondContact O-CD 3.44Å
208G48.9Very low55.1Low63 Ų63134.7 Ų134.765%0.64971%0.71SS**  trans-145.84.3-147.100000122E206E206-G208 PolarHBondContact O-N 3.3Å
209H39.1Very low53.2Low166 Ų166134.9 Ų134.977%0.76972%0.724SS**  trans-130.8123.7173.8-134.2-84.7000115.8E211H209-E211 PolarHBondContact O-N 3.37Å
210K54.4Low50.8Low206 Ų206141 Ų14190%0.89674%0.735SS**  trans-96.185.8179.1-69.5172.9-178.2165.70110.8
211E41.6Very low48.8Very low172 Ų172141.2 Ų141.280%0.80475%0.746SS**  trans-87.9146.1171.4-77.5-91.9120.300111.8H209H209-E211 PolarHBondContact O-N 3.37Å
212S41.7Very low46.8Very low98 Ų98146.8 Ų146.869%0.68576%0.76SS**  trans-111.1136.5-154.679.10000116.6
213K50.7Low44.9Very low188 Ų188149.1 Ų149.182%0.81778%0.776SS**  trans44.873.5142.9-59.6170-178165.70118.1
214K41.1Very low43.6Very low213 Ų213156.9 Ų156.993%0.92679%0.789SS**  trans-101.888.6154.2-120.4168.5-173.3166.70111.5
215K43.1Very low42.3Very low179 Ų179164.6 Ų164.678%0.77880%0.8SS**  trans-70.4126.4-179.7-63.6179.9179.1179.80111.3
216H32.2Very low40.8Very low176 Ų176170.1 Ų170.182%0.81581%0.813SS**  trans-114.565.5161.8-162.586.8000111.9
217S43Very low40.2Very low96 Ų96174.1 Ų174.167%0.67182%0.822SS**  trans-90.6103.6174.254.30000110.9
218R37Very low39.5Very low215 Ų215173.3 Ų173.381%0.81181%0.814SS**  trans-142.655.5169.4-123.6169.6-168.1150.75.1114.1R220R218-R220 PolarHBondContact O-N 3.24Å
219S38.4Very low38.6Very low114 Ų114180.5 Ų180.580%0.79782%0.821SS**  trans-53.5125.3159.842.70000109.9
220R34Very low38.4Very low207 Ų207177.9 Ų177.978%0.78182%0.822SS**  trans-12667.5-177.8-151.1170.5-163.4170.94.9111.9R218 R222R218-R220 PolarHBondContact O-N 3.24Å; R220-R222 PolarHBondContact O-N 3.12Å
221S34.6Very low37.6Very low119 Ų119178.4 Ų178.483%0.83282%0.818SS**  trans-49.4122175.1-54.20000111.8
222R35.9Very low37.3Very low218 Ų218175.6 Ų175.682%0.82382%0.818SS**  trans-13289.1168.9-85.6-173.5164.2165.3-4.5110.4R220R220-R222 PolarHBondContact O-N 3.12Å
223S32.8Very low37.2Very low119 Ų119182.4 Ų182.483%0.83283%0.828SS**  trans-64133.9171.448.80000111.1
224R38.3Very low36.5Very low240 Ų240181.1 Ų181.191%0.90683%0.825SS**  trans-136.990.5165.9-78.1-168.6167.1172.9-4.2110.5R226R224-R226 PolarHBondContact O-N 3.08Å
225R34.6Very low36.3Very low248 Ų248174.9 Ų174.994%0.93681%0.808SS**  trans-54.3127.2171.4-74174.6165.3177.4-5.6110.9
226R37.5Very low36.1Very low241 Ų241177.6 Ų177.691%0.90981%0.814SS**  trans-140.588.8151.3-70.3-167.9173.8-173.4-2.9108.1R224R224-R226 PolarHBondContact O-N 3.08Å
227R32.6Very low36.3Very low238 Ų238180 Ų18090%0.89882%0.816SS**  48.190.499.7-93.1-176.2169.9160.3-2.9113.8
228T37.8Very low35.8Very low124 Ų124187.3 Ų187.376%0.76183%0.828SS**  trans41.2115.813245.50000119.7
229R30.3Very low35.9Very low213 Ų213183.6 Ų183.680%0.80483%0.829SS**  trans-152.180.1137.2-148.8163.7-162.6153.36.5114.8
230S35.6Very low35.6Very low111 Ų111187.5 Ų187.578%0.77683%0.827SS**  trans-54.7138.5162.6-44.50000110.4
231R36.7Very low35.7Very low217 Ų217183.3 Ų183.382%0.81983%0.829SS**  trans-132.674.7175.8-85.2-173.9165.7169.4-3.7111.6
232S35.8Very low35.7Very low113 Ų113186 Ų18679%0.7982%0.821SS**  trans-76.6120.1163.740.70000110.6
233R38.3Very low35.8Very low241 Ų241181.3 Ų181.391%0.90982%0.822SS**  trans-144.982162.2-71.3-169.2173.9179.3-4.5107.4
234H37.5Very low36Very low161 Ų161185.7 Ų185.775%0.74582%0.82SS**  73.7104.190.6-172.795.8000113.5
235S37.3Very low35.8Very low82 Ų82186.1 Ų186.157%0.57382%0.821SS**  trans17.1133.8143.5-172.20000119.7
236R38.3Very low35.9Very low237 Ų237185.5 Ų185.589%0.89482%0.819SS**  -150.9127.3126.2-107151.5-156.8-151.92.8112.6
237R36.8Very low35.8Very low227 Ų227179.8 Ų179.886%0.85782%0.816SS**  trans-54.2148.1-178.3-56.9167.8174.1179.1-4.2113.1
238R32.5Very low35.9Very low249 Ų249174 Ų17494%0.9481%0.812SS**  -165.496.6122.8-109.3166.3-175.2165.13.2113
239T38.7Very low35.9Very low136 Ų136173.6 Ų173.683%0.83481%0.814SS**  trans-66.7137.7153.441.60000109.1
240R32.6Very low36.2Very low197 Ų197174.3 Ų174.374%0.74382%0.817SS**  trans-153.385.4158.9-156.9168.6-158.3164.510.6113R242R240-R242 PolarHBondContact O-N 2.84Å
241S34.4Very low36.3Very low118 Ų118174.3 Ų174.383%0.82582%0.817SS**  trans-51.7129.8161.4-38.30000109.8
242R35.8Very low36.4Very low177 Ų177175.3 Ų175.367%0.66882%0.821SS**  trans-154.783.3167-120.2172.1-170.4-178.31.3111.9R240 R244R240-R242 PolarHBondContact O-N 2.84Å; R242-R244 PolarHBondContact O-N 3.31Å
243S37.6Very low36.4Very low119 Ų119181.1 Ų181.183%0.83283%0.826SS**  trans-61.9127.8161.343.60000110
244R36.5Very low36.2Very low211 Ų211181 Ų18180%0.79683%0.825SS**  trans-142.7102159.6-78.8-163.3166.2170.2-5.5109.9R242 R246R242-R244 PolarHBondContact O-N 3.31Å; R244-R246 PolarHBondContact O-N 3.17Å
245R35.5Very low36.1Very low249 Ų249178.1 Ų178.194%0.9482%0.823SS**  trans-59.9130.3160.3-63.1178.3177.2-168.5-0.3108.1
246R35Very low35.9Very low235 Ų235184.2 Ų184.289%0.88784%0.839SS**  trans-145.1110.3150.3-78.7-159.1168.6160.6-3.5109.8R244R244-R246 PolarHBondContact O-N 3.17Å
247S35.5Very low35.7Very low121 Ų121178.6 Ų178.685%0.84684%0.836SS**  trans-65.9143.5161.234.80000109.6
248S34.6Very low36.4Very low116 Ų116173 Ų17381%0.81183%0.829SS**  trans-152.790.2166.9-163.30000109.9
249S37.8Very low36.6Very low116 Ų116172.8 Ų172.881%0.81183%0.828SS**  trans-78.7120.2166.440.30000109
250R37.2Very low36.6Very low227 Ų227177.1 Ų177.186%0.85783%0.829SS**  trans-152.9100.2161.4-119.2169.5-169.9176.23.4112
251S39.1Very low36.6Very low112 Ų112179.3 Ų179.378%0.78384%0.838SS**  trans-74.4142.5159.552.30000109.6
252R38.5Very low36.6Very low238 Ų238184 Ų18490%0.89884%0.837SS**  trans-156.4151.2152.8-108.7159.9-166.4-159.60.2109.2
253R34.1Very low36.4Very low235 Ų235182 Ų18289%0.88785%0.845SS**  trans-102.4175-163-63.8175.8168.5-174.7-4.1112
254R34.2Very low36.2Very low238 Ų238184.5 Ų184.590%0.89884%0.843SS**  trans71.8151.3159.3-74.2176.5172.7163.2-4.7116.5
255S35.6Very low36Very low100 Ų100178 Ų17870%0.69983%0.83SS**  cis-177.7127.4-31.945.50000109.2
256K32.8Very low36.1Very low211 Ų211177.2 Ų177.292%0.91783%0.827SS**  trans-159.1126.9160-120.6161.4-174.7174.20115.1
257S34.5Very low36.1Very low119 Ų119172.3 Ų172.383%0.83282%0.819SS**  trans179.2162.5171.2-81.60000106.2
258P51.5Low36.2Very low108 Ų108177.9 Ų177.970%0.70182%0.821SS**  cis-130.6177.9-0.242.4-27.9000114.3
259R37.8Very low36.1Very low246 Ų246175.9 Ų175.993%0.92882%0.818SS**  trans170.3129.3138.3-90.2153.6-167.9-143.33.6107.1
260R37.6Very low35.9Very low226 Ų226182.2 Ų182.285%0.85383%0.825SS**  cis80.197.232.8-92.2-161.8177.4-168.46.5117.1
261R33.9Very low35.6Very low243 Ų243183.3 Ų183.392%0.91783%0.828SS**  trans-176.4137.1139.8-97.9160.1-165.1-137.74.3105.9
262R33.2Very low35.3Very low216 Ų216184.4 Ų184.482%0.81583%0.831SS**  cis61.213138.3-74.9-169.9-178.9170.23.3111.9
263T32.7Very low35Very low136 Ų136182.7 Ų182.783%0.83482%0.824SS**  cis-129.6-170.717.419.80000110.7
264H32.3Very low34.9Very low172 Ų172176.8 Ų176.880%0.79682%0.819SS**  cis-155-16030.4-168.412.2000112.1
265S33.7Very low34.7Very low74 Ų74175.4 Ų175.452%0.51781%0.814SS.*  trans-168.4171.6-168.856.70000111.3
266R37Very low34.6Very low232 Ų232175.6 Ų175.688%0.87582%0.815SS**  trans72153.5170.4-73.7174.9-178.2161.1-0.6115.4
267D35.3Very low34.7Very low133 Ų133177.1 Ų177.171%0.71182%0.815SS**  cis-167.8178.1-24.5-148.9-54.7000107.3
268R36Very low34.7Very low238 Ų238178.6 Ų178.690%0.89881%0.814SS**  trans72.8153.3175-48.3150.8-179.3165.7-3114
269G32.7Very low34Very low73 Ų73185.1 Ų185.175%0.75383%0.825SS**  cis-160.1168.2200000113.7
270R34.6Very low33.8Very low250 Ų250181 Ų18194%0.94381%0.813SS**  trans-70.2143.3-177.6-56.5170178.6-131.80.1111.7
271R30.1Very low33.6Very low249 Ų249179.7 Ų179.794%0.9481%0.814SS**  trans-150.6146134.8-118167-176.11621111.7
272T33.9Very low33.6Very low135 Ų135174.4 Ų174.483%0.82880%0.799SS**  trans-78.2161.4173.448.80000110.1
273R31.3Very low33.8Very low202 Ų202171.4 Ų171.476%0.76280%0.8SS**  170.4116.1113.8-171.2170.5-144.41584110.3
274S31.8Very low34.1Very low112 Ų112170.7 Ų170.778%0.78380%0.795SS**  trans-69.8130.6162.643.10000109.8
275R31.3Very low34.2Very low208 Ų208167 Ų16779%0.78579%0.788SS**  trans-169.1127.4151.3-106.8152.6-163.9-163.80.3110.7
276S32Very low34.4Very low105 Ų105174.1 Ų174.173%0.73480%0.804SS**  trans-60.5149.5158.642.40000110.7
277R34.7Very low34.4Very low242 Ų242174.8 Ų174.891%0.91381%0.806SS**  trans-172.4120.7138.5-106.4161.8-172.5-171-1110.7
278D35.3Very low34.3Very low150 Ų150180 Ų18080%0.80282%0.816SS**  trans-50.8143.7161.2-56.7-102.7000111.2
279R37.3Very low34.4Very low246 Ų246173.7 Ų173.793%0.92881%0.808SS**  trans-126.388.1154.1-81-170.5166.7173.7-5.6108.8K281R279-K281 PolarHBondContact O-N 2.98Å
280K33.3Very low34.5Very low159 Ų159180 Ų18069%0.69182%0.815SS**  trans-30.1127159.9-179.9-166.3-179.9-154.30110.8E282K280-E282 HydrophobicContact CD-CG 4.32Å; K280-E282 IonicContact NZ-OE1 2.66Å; K280-E282 PolarHBondContact NZ-OE1 2.68Å
281K32.8Very low34.7Very low198 Ų198174.4 Ų174.486%0.86181%0.809SS**  trans-88.2129.5159.3-176.2177.2176.9-174.20107.1R279R279-K281 PolarHBondContact O-N 2.98Å
282E33.5Very low35.7Very low132 Ų132168.1 Ų168.162%0.61780%0.8SS**  trans-80149.3170.7-51.3-162.912100107.7K280K280-E282 HydrophobicContact CD-CG 4.32Å; K280-E282 IonicContact NZ-OE1 2.66Å; K280-E282 PolarHBondContact NZ-OE1 2.68Å
283D37.5Very low36.8Very low154 Ų154167.3 Ų167.382%0.82480%0.797SS**  -163.4-163.174.5-141.5-54.3000112.2
284V40.2Very low37Very low121 Ų121166.6 Ų166.673%0.73380%0.8SS**  trans8375.4166.8-161.20000116.5
285S34.9Very low37.1Very low93 Ų93166 Ų16665%0.6580%0.796SS**  96.9118.6125.482.40000121.9
286R37.6Very low37.2Very low224 Ų224167 Ų16785%0.84580%0.801SS**  63.2104.7128-64.1175.9-179.7-172.5-0.1120.6
287R35.6Very low37.4Very low246 Ų246166 Ų16693%0.92879%0.794SS**  trans67.9130.5141.9-52.7175.4-178.5-153.9-1.7114.9
288R33.5Very low37.6Very low244 Ų244160.5 Ų160.592%0.92179%0.788SS**  cis-150.7149.739.3-165.9172.5-170.6161.40.2110.7
289S37.6Very low37.3Very low104 Ų104157.5 Ų157.573%0.72778%0.784SS**  trans-84.5144.5-177.545.90000113.5
290K36.6Very low37.1Very low205 Ų205157.1 Ų157.189%0.89178%0.782SS**  179.8105.9129.4-97.2164-176.5-172.20112.5
291T38Very low37.1Very low133 Ų133160.8 Ų160.882%0.81679%0.792SS**  trans-113.1173.815252.70000105.8
292P50.6Low37.3Very low117 Ų117156.7 Ų156.776%0.7679%0.788SS**  cis-138.1-139.626.640.5-14.4000113.8
293P57.3Low37.3Very low118 Ų118161.5 Ų161.577%0.76680%0.801SS**  -133.3-142.5-116.842.9-20.4000113.5
294K34.7Very low37.3Very low187 Ų187159.8 Ų159.881%0.81380%0.801SS**  trans115.974.9142.6-155.4176.4-177.2-176.40119.1
295S34.9Very low37Very low100 Ų100158.4 Ų158.470%0.69980%0.802SS**  trans39112.5131.661.40000122.6
296Y33.7Very low37Very low228 Ų228159.1 Ų159.189%0.89481%0.807SS**  trans-168164.7146.5-118-148.2000108.9
297S36.8Very low37Very low86 Ų86160.5 Ų160.560%0.60181%0.812SS**  cis-157.1129.6-5.735.30000113.5
298T37.7Very low37.2Very low126 Ų126159.3 Ų159.377%0.77381%0.808SS**  trans30.8124.7144.460.90000124.3
299A30.1Very low37.2Very low87 Ų87159.5 Ų159.572%0.71981%0.808SS**  88.9155123.300000123.3
300R32.4Very low37.3Very low237 Ų237165.4 Ų165.489%0.89482%0.815SS**  trans74.1142175.3-48.1178.1-165-112.1-0.5113.2
301R33.7Very low37.1Very low236 Ų236167.1 Ų167.189%0.89182%0.816SS**  cis-149154.89.9-143.2171.2-169.5157.9-0.4110.1
302S35.6Very low37Very low113 Ų113165.3 Ų165.379%0.7981%0.808SS**  trans-138.1145-175.155.80000114.3
303R35Very low36.4Very low233 Ų233171.3 Ų171.388%0.87982%0.816SS**  trans-150.1124.5164.6-64.6-179170152.1-7.5106.1
304S37.8Very low35.2Very low118 Ų118172.8 Ų172.883%0.82582%0.823SS**  cis67138.643.678.50000113.4
305A33.3Very low35.4Very low92 Ų92168.9 Ų168.976%0.7683%0.825SS**  cis-148.1135.611.700000111.5
306S34.4Very low35.2Very low107 Ų107169.5 Ų169.575%0.74883%0.829SS**  59.5117.393.21700000119.2
307R38.2Very low35.1Very low253 Ų253170.5 Ų170.596%0.95583%0.832SS**  trans-139147.8147.4-71.6-170.1176.2176.3-0.3110.8
308R38.5Very low35.1Very low222 Ų222171.9 Ų171.984%0.83884%0.841SS**  trans-147.9138.5-172-94.8-177.8165.6-173.70.7113.5
309R35Very low35.9Very low247 Ų247171 Ų17193%0.93284%0.838SS**  trans-158.3149157.2-73.2-159.3-179.5-169.6-0.5107.3
310R38.1Very low36.4Very low228 Ų228176.1 Ų176.186%0.8684%0.844SS**  cis72.5130.711-63.4-173.8172.2-170-3.4115.6
311R33.3Very low36.5Very low242 Ų242174.9 Ų174.991%0.91385%0.845SS**  cis-119.7-160.916-91.6173.8153.3155.6-8112.4
312S35.6Very low36.9Very low94 Ų94169 Ų16966%0.65784%0.84SS**  -173.3131.2-85.556.70000114.9
313R37.6Very low37.4Very low244 Ų244168.5 Ų168.592%0.92183%0.834SS**  trans40.6133.5155.9-68.2178.2174.8163.4-4.2121.4
314T33.6Very low37.7Very low149 Ų149166.3 Ų166.391%0.91483%0.831SS**  trans-142.4164.6135.548.40000110.4
315A38.1Very low37.7Very low104 Ų104172 Ų17286%0.8683%0.834SS**  trans-161.1150.7179.400000112.3
316S30.3Very low38.1Very low113 Ų113179.5 Ų179.579%0.7984%0.843SS**  trans-146.5114.7176.943.70000115
317R32.8Very low38.3Very low250 Ų250180.5 Ų180.594%0.94384%0.844SS**  trans46.5112.8140.3-61.3177.4177.9166.2-1.7120.8
318S37Very low38.4Very low115 Ų115172.8 Ų172.880%0.80483%0.829SS**  trans-86.2-170.9147.8-48.20000109.5
319P53.8Low38.5Very low108 Ų108168.2 Ų168.270%0.70183%0.828SS**  cis-155-179.211.450-29.7000120.4
320K41.2Very low38.6Very low194 Ų194161.1 Ų161.184%0.84382%0.816SS**  trans54.8114.9156.6-42.3-173.1-165.7166.40122.3
321K33.9Very low38.9Very low210 Ų210156.3 Ų156.391%0.91381%0.814SS**  -167.7173.1110-106.7172.3-178.5175.20110.9
322S41.5Very low39.6Very low113 Ų113149.7 Ų149.779%0.7981%0.805SS**  trans-132.8161.1-176.8-38.10000108.4
323P45.7Very low40.2Very low102 Ų102151 Ų15166%0.66281%0.812SS**  cis-152.5165.643.942.3-21.2000119.8
324K42.2Very low40.9Very low187 Ų187151.1 Ų151.181%0.81381%0.812SS**  trans45.2110.6150.5-58.1160-166.3156.60119.5
325R38.2Very low41.9Very low239 Ų239150.7 Ų150.790%0.90279%0.794SS**  -122.6133.1120-80.2179.677.5-170.65.1108.5
326R40.6Very low42.7Very low249 Ų249152.7 Ų152.794%0.9479%0.785SS**  trans-85.7103.3164.2-79.6179.5169.6-113.4-2106.5S328R326-S328 PolarHBondContact O-N 2.89Å
327V39.1Very low44Very low128 Ų128156.5 Ų156.578%0.77679%0.787SS**PPolyproline II helixtrans-69.9123.1161.7-176.10000106.3
328S40.3Very low45.3Very low91 Ų91153.1 Ų153.164%0.63678%0.78SS**PPolyproline II helixtrans-65.7134.4173.345.20000109.6R326 S330R326-S328 PolarHBondContact O-N 2.89Å; S328-S330 PolarHBondContact O-N 3.17Å; S328-S330 VanDerWaalsContact O-N 3.15Å
329P40.5Very low46.4Very low125 Ų125151.6 Ų151.681%0.81276%0.76SS**PPolyproline II helixtrans-53.3122.3157.6-20.732.8000107.8
330S37.5Very low47.1Very low98 Ų98154.5 Ų154.569%0.68576%0.761SS**PPolyproline II helixtrans-62.9137.1-179.739.30000109.7S328 S332S328-S330 PolarHBondContact O-N 3.17Å; S328-S330 VanDerWaalsContact O-N 3.15Å; S330-S332 PolarHBondContact O-N 2.89Å
331P45Very low48.4Very low127 Ų127151.6 Ų151.683%0.82575%0.749SS**  trans-65.9109.9174.6-16.430.1000108.9
332S47.3Very low50.1Low103 Ų103149.3 Ų149.372%0.7273%0.734SS**  trans-56.8148172.9-46.20000110.1S330 R334S330-S332 PolarHBondContact O-N 2.89Å; S332-R334 PolarHBondContact O-N 3.4Å
333P47.1Very low51.3Low123 Ų123146.3 Ų146.380%0.79971%0.71SS**  trans-49.3140.1-177.5-29.936.1000112.6R335P333-R335 PolarHBondContact O-N 3.19Å
334R54Low52.7Low246 Ų246148.6 Ų148.693%0.92871%0.709SS**  trans-74.964.1-164.3-162.7-177.9-173-168.83.4112.4S332 H336S332-R334 PolarHBondContact O-N 3.4Å; R334-H336 PolarHBondContact O-N 2.92Å
335R53Low54Low139 Ų139143 Ų14353%0.52569%0.688SS.*  trans-50.8126.4-169.4-159.3171.4178.1-137.7-11.8111.6P333 E339 D343P333-R335 PolarHBondContact O-N 3.19Å; R335-E339 HydrophobicContact CG-CB 4.25Å; R335-E339 WeakPolarHBondContact CG-OE2 3.43Å; R335-E339 IonicContact CZ-OE1 3.48Å; R335-E339 IonicContact CZ-OE2 3.81Å; R335-E339 VanDerWaalsContact NE-CD 3.32Å; R335-E339 IonicContact NE-OE1 3.4Å; R335-E339 PolarHBondContact NE-OE1 3.38Å; R335-E339 IonicContact NE-OE2 2.83Å; R335-E339 PolarHBondContact NE-OE2 3.25Å; R335-E339 VanDerWaalsContact NH2-CD 3.34Å; R335-E339 IonicContact NH2-OE1 2.8Å; R335-E339 PolarHBondContact NH2-OE1 3.2Å; R335-E339 IonicContact NH2-OE2 3.93Å; R335-D343 IonicContact CZ-OD2 3.02Å; R335-D343 IonicContact NH1-OD2 2.72Å; R335-D343 PolarHBondContact NH1-OD2 3.25Å; R335-D343 IonicContact NH2-OD2 2.64Å; R335-D343 PolarHBondContact NH2-OD2 3.02Å
336H55.8Low55.7Low147 Ų147136.6 Ų136.668%0.68166%0.664SS**  trans-58.8142.5-166.1-98.6-123.5000112.4R334 K338 E339 K340R334-H336 PolarHBondContact O-N 2.92Å; H336-K338 PolarHBondContact O-N 3.2Å; H336-E339 WeakPolarHBondContact O-CB 3.23Å; H336-E339 PolarHBondContact O-N 3.11Å; H336-K340 PolarHBondContact O-N 3.11Å
337K58.4Low57.3Low192 Ų192129.3 Ų129.384%0.83564%0.64SS**Hα-helixtrans-56.2-26-179.7-164.5176.4-179.2-177.60112.8K341K337-K341 PolarHBondContact O-N 3.46Å
338K59.8Low59Low180 Ų180131.9 Ų131.978%0.78364%0.636SS**Hα-helixtrans-65.8-43.1172.8-169.2176.6-179-178.50112.4H336 K341 R342H336-K338 PolarHBondContact O-N 3.2Å; K338-K341 PolarHBondContact O-N 3.5Å; K338-R342 PolarHBondContact O-N 3.33Å
339E60.1Low60.7Low83 Ų83133.3 Ų133.339%0.38863%0.633SS.*Hα-helixtrans-69.2-46.4176.6-70.6-156.793.900112.3R335 H336 K341 R342 D343R335-E339 HydrophobicContact CG-CB 4.25Å; R335-E339 WeakPolarHBondContact CG-OE2 3.43Å; R335-E339 IonicContact CZ-OE1 3.48Å; R335-E339 IonicContact CZ-OE2 3.81Å; R335-E339 VanDerWaalsContact NE-CD 3.32Å; R335-E339 IonicContact NE-OE1 3.4Å; R335-E339 PolarHBondContact NE-OE1 3.38Å; R335-E339 IonicContact NE-OE2 2.83Å; R335-E339 PolarHBondContact NE-OE2 3.25Å; R335-E339 VanDerWaalsContact NH2-CD 3.34Å; R335-E339 IonicContact NH2-OE1 2.8Å; R335-E339 PolarHBondContact NH2-OE1 3.2Å; R335-E339 IonicContact NH2-OE2 3.93Å; H336-E339 WeakPolarHBondContact O-CB 3.23Å; H336-E339 PolarHBondContact O-N 3.11Å; E339-K341 CarbonylContact O-C 3.6Å; E339-K341 PolarHBondContact O-N 3.48Å; E339-K341 VanDerWaalsContact O-N 3.14Å; E339-R342 PolarHBondContact O-N 3.15Å; E339-D343 PolarHBondContact O-N 3.3Å
340K68.6Low62.4Low168 Ų168136.8 Ų136.873%0.7363%0.63SS**Hα-helixtrans-62-23.5177.3-172.7166-176.8170.40112.5H336H336-K340 PolarHBondContact O-N 3.11Å
341K68.6Low64.5Low134 Ų134139.8 Ų139.858%0.58363%0.626SS**Hα-helixtrans-74.3-54.4166.3-161.5-159.4170.5-162.70111.1K337 K338 E339 D343 K344 D345K337-K341 PolarHBondContact O-N 3.46Å; K338-K341 PolarHBondContact O-N 3.5Å; E339-K341 CarbonylContact O-C 3.6Å; E339-K341 PolarHBondContact O-N 3.48Å; E339-K341 VanDerWaalsContact O-N 3.14Å; K341-D343 VanDerWaalsContact C-N 3.28Å; K341-D343 PolarHBondContact O-N 2.92Å; K341-K344 WeakPolarHBondContact O-CA 3.31Å; K341-K344 PolarHBondContact O-N 2.99Å; K341-D345 WeakPolarHBondContact CE-OD2 3.15Å; K341-D345 WeakPolarHBondContact CG-OD2 3.29Å; K341-D345 IonicContact NZ-OD2 3.82Å; K341-D345 PolarHBondContact O-N 3.47Å
342R68.8Low66.1Low161 Ų161136 Ų13661%0.60860%0.603SS**Hα-helixtrans-52.8-41.9-178.5-164.3180-168.1-173.83.4113K338 E339 D345 R346K338-R342 PolarHBondContact O-N 3.33Å; E339-R342 PolarHBondContact O-N 3.15Å; R342-D345 PolarHBondContact O-N 2.9Å; R342-R346 WeakPolarHBondContact O-CB 3.35Å; R342-R346 WeakPolarHBondContact O-CD 3.05Å; R342-R346 VanDerWaalsContact O-CG 3.24Å; R342-R346 WeakPolarHBondContact O-CG 3.39Å; R342-R346 PolarHBondContact O-N 3.18Å
343D66.4Low67.5Low51 Ų51134.2 Ų134.227%0.27359%0.585SS.*Hα-helixtrans-74.4-31.1178.9-69.6-12.7000112.9R335 E339 K341 R346 E347R335-D343 IonicContact CZ-OD2 3.02Å; R335-D343 IonicContact NH1-OD2 2.72Å; R335-D343 PolarHBondContact NH1-OD2 3.25Å; R335-D343 IonicContact NH2-OD2 2.64Å; R335-D343 PolarHBondContact NH2-OD2 3.02Å; E339-D343 PolarHBondContact O-N 3.3Å; K341-D343 VanDerWaalsContact C-N 3.28Å; K341-D343 PolarHBondContact O-N 2.92Å; D343-R346 IonicContact OD1-CZ 3.19Å; D343-R346 IonicContact OD1-NH1 2.68Å; D343-R346 PolarHBondContact OD1-NH1 3.48Å; D343-E347 WeakPolarHBondContact O-CB 3.44Å; D343-E347 PolarHBondContact O-N 2.88Å
344K76Confident69.2Low149 Ų149135 Ų13565%0.64858%0.576SS**Hα-helixtrans-70.9-36.3171.5-174.1175.6-179.11800111.9K341 E347 R348K341-K344 WeakPolarHBondContact O-CA 3.31Å; K341-K344 PolarHBondContact O-N 2.99Å; K344-E347 PolarHBondContact O-N 3.11Å; K344-R348 PolarHBondContact O-N 3.17Å
345D69.6Low70.4Confident71 Ų71129.7 Ų129.738%0.3856%0.561SS.*Hα-helixtrans-67.2-45.8176-64.5-24000109.8K341 R342 E347 R348 E349K341-D345 WeakPolarHBondContact CE-OD2 3.15Å; K341-D345 WeakPolarHBondContact CG-OD2 3.29Å; K341-D345 IonicContact NZ-OD2 3.82Å; K341-D345 PolarHBondContact O-N 3.47Å; R342-D345 PolarHBondContact O-N 2.9Å; D345-E347 VanDerWaalsContact C-N 3.34Å; D345-E347 PolarHBondContact O-N 3.42Å; D345-R348 WeakPolarHBondContact O-CB 3.4Å; D345-R348 PolarHBondContact O-N 2.9Å; D345-R348 VanDerWaalsContact O-N 3.07Å; D345-E349 PolarHBondContact O-N 3.41Å
346R73.7Confident71.7Confident104 Ų104130.9 Ų130.939%0.39257%0.566SS.*Hα-helixtrans-57.1-39.1170.4-74.4162.1165.1168.9-11.5113.7R342 D343 R348 R350R342-R346 WeakPolarHBondContact O-CB 3.35Å; R342-R346 WeakPolarHBondContact O-CD 3.05Å; R342-R346 VanDerWaalsContact O-CG 3.24Å; R342-R346 WeakPolarHBondContact O-CG 3.39Å; R342-R346 PolarHBondContact O-N 3.18Å; D343-R346 IonicContact OD1-CZ 3.19Å; D343-R346 IonicContact OD1-NH1 2.68Å; D343-R346 PolarHBondContact OD1-NH1 3.48Å; R346-R348 VanDerWaalsContact C-N 3.31Å; R346-R350 WeakPolarHBondContact O-CG 3.46Å; R346-R350 PolarHBondContact O-N 3.49Å; R346-R350 VanDerWaalsContact O-N 3.1Å
347E73Confident72.8Confident95 Ų95128.4 Ų128.444%0.44456%0.561SS.*Hα-helixtrans-67.4-35.1176.2-157.5-154.8146.400111.4D343 K344 D345 R351D343-E347 WeakPolarHBondContact O-CB 3.44Å; D343-E347 PolarHBondContact O-N 2.88Å; K344-E347 PolarHBondContact O-N 3.11Å; D345-E347 VanDerWaalsContact C-N 3.34Å; D345-E347 PolarHBondContact O-N 3.42Å; E347-R351 WeakPolarHBondContact O-CD 3.38Å; E347-R351 VanDerWaalsContact O-CG 3.22Å; E347-R351 WeakPolarHBondContact O-CG 3.44Å; E347-R351 PolarHBondContact O-N 3.48Å; E347-R351 VanDerWaalsContact O-N 3.11Å; E347-R351 IonicContact OE1-CZ 3.21Å; E347-R351 IonicContact OE1-NE 3.66Å; E347-R351 PolarHBondContact OE1-NE 3.2Å; E347-R351 IonicContact OE1-NH2 2.81Å; E347-R351 PolarHBondContact OE1-NH2 2.87Å
348R76.3Confident74Confident183 Ų183126.9 Ų126.969%0.69155%0.55SS**Hα-helixtrans-71-39176.8-164.3-179.7-166.5176.63.4112.1K344 D345 R346 R351 S352K344-R348 PolarHBondContact O-N 3.17Å; D345-R348 WeakPolarHBondContact O-CB 3.4Å; D345-R348 PolarHBondContact O-N 2.9Å; D345-R348 VanDerWaalsContact O-N 3.07Å; R346-R348 VanDerWaalsContact C-N 3.31Å; R348-R351 PolarHBondContact O-N 3.24Å; R348-S352 PolarHBondContact O-N 3.46Å; R348-S352 PolarHBondContact O-OG 3.35Å
349E75.6Confident74.8Confident121 Ų121122.9 Ų122.957%0.56553%0.534SS*.Hα-helixtrans-57.7-57.8173-171.8167.3-125.800110.3D345 R351 S352 D353D345-E349 PolarHBondContact O-N 3.41Å; E349-R351 PolarHBondContact O-N 2.85Å; E349-R351 VanDerWaalsContact O-N 3.09Å; E349-S352 WeakPolarHBondContact O-CA 3.48Å; E349-S352 VanDerWaalsContact O-CB 3.32Å; E349-S352 WeakPolarHBondContact O-CB 3.3Å; E349-S352 PolarHBondContact O-N 2.93Å; E349-D353 PolarHBondContact O-N 2.94Å
350R76.7Confident75.4Confident198 Ų198125.4 Ų125.475%0.74755%0.546SS*.Hα-helixtrans-55.2-31.2174.8-70.6174.1174.5-170.5-3.8114.6R346 K354R346-R350 WeakPolarHBondContact O-CG 3.46Å; R346-R350 PolarHBondContact O-N 3.49Å; R346-R350 VanDerWaalsContact O-N 3.1Å; R350-K354 WeakPolarHBondContact O-CB 3.43Å; R350-K354 PolarHBondContact O-N 2.68Å
351R80.8Confident75.8Confident161 Ų161126.5 Ų126.561%0.60855%0.545SS*.Hα-helixtrans-71.9-43.1172.9-74.9166.3179-118.88.1111.4E347 R348 E349 K354 E355E347-R351 WeakPolarHBondContact O-CD 3.38Å; E347-R351 VanDerWaalsContact O-CG 3.22Å; E347-R351 WeakPolarHBondContact O-CG 3.44Å; E347-R351 PolarHBondContact O-N 3.48Å; E347-R351 VanDerWaalsContact O-N 3.11Å; E347-R351 IonicContact OE1-CZ 3.21Å; E347-R351 IonicContact OE1-NE 3.66Å; E347-R351 PolarHBondContact OE1-NE 3.2Å; E347-R351 IonicContact OE1-NH2 2.81Å; E347-R351 PolarHBondContact OE1-NH2 2.87Å; R348-R351 PolarHBondContact O-N 3.24Å; E349-R351 PolarHBondContact O-N 2.85Å; E349-R351 VanDerWaalsContact O-N 3.09Å; R351-K354 PolarHBondContact O-N 2.84Å; R351-E355 PolarHBondContact O-N 3.44Å; R351-E355 VanDerWaalsContact O-N 3.07Å
352S78.6Confident75.8Confident47 Ų47126.5 Ų126.533%0.32955%0.547SS..Hα-helixtrans-62.7-42.7178.9-50.30000111.8R348 E349 E355 R356R348-S352 PolarHBondContact O-N 3.46Å; R348-S352 PolarHBondContact O-OG 3.35Å; E349-S352 WeakPolarHBondContact O-CA 3.48Å; E349-S352 VanDerWaalsContact O-CB 3.32Å; E349-S352 WeakPolarHBondContact O-CB 3.3Å; E349-S352 PolarHBondContact O-N 2.93Å; S352-E355 WeakPolarHBondContact O-CB 3.45Å; S352-E355 PolarHBondContact O-N 2.9Å; S352-R356 WeakPolarHBondContact O-CG 3.41Å; S352-R356 PolarHBondContact O-N 3.35Å
353D76.8Confident76Confident65 Ų65125.6 Ų125.635%0.34854%0.544SS..Hα-helixtrans-71.2-36.2179.2-59.6-41000112E349 E355 R356 V357E349-D353 PolarHBondContact O-N 2.94Å; D353-E355 PolarHBondContact O-N 2.9Å; D353-R356 PolarHBondContact O-N 3.41Å; D353-R356 IonicContact OD1-CZ 3.9Å; D353-R356 IonicContact OD1-NH1 2.68Å; D353-R356 PolarHBondContact OD1-NH1 3.17Å; D353-V357 WeakPolarHBondContact O-CG2 3.19Å; D353-V357 PolarHBondContact O-N 2.81Å
354K82.4Confident76Confident139 Ų139126 Ų12660%0.60455%0.551SS**Hα-helixtrans-65.1-23.5171.5-171.7167.2-174.3168.30113.1R350 R351 R358R350-K354 WeakPolarHBondContact O-CB 3.43Å; R350-K354 PolarHBondContact O-N 2.68Å; R351-K354 PolarHBondContact O-N 2.84Å; K354-R358 WeakPolarHBondContact O-CD 3.23Å; K354-R358 WeakPolarHBondContact O-CG 3.41Å
355E78.4Confident75.7Confident135 Ų135122.5 Ų122.563%0.63154%0.542SS*.Hα-helixtrans-81.7-45.1174.2-166.3157.9-135.700111.1R351 S352 D353 V357 R358 E359R351-E355 PolarHBondContact O-N 3.44Å; R351-E355 VanDerWaalsContact O-N 3.07Å; S352-E355 WeakPolarHBondContact O-CB 3.45Å; S352-E355 PolarHBondContact O-N 2.9Å; D353-E355 PolarHBondContact O-N 2.9Å; E355-V357 PolarHBondContact O-N 3.19Å; E355-R358 WeakPolarHBondContact O-CB 3.4Å; E355-R358 PolarHBondContact O-N 2.84Å; E355-R358 VanDerWaalsContact O-N 3.12Å; E355-E359 PolarHBondContact O-N 2.94Å
356R80.3Confident75.7Confident165 Ų165122.3 Ų122.362%0.62355%0.546SS*.Hα-helixtrans-54.8-48.5172.1-72165.6168.5172.5-10.3112.8S352 D353 R358 E359 E360S352-R356 WeakPolarHBondContact O-CG 3.41Å; S352-R356 PolarHBondContact O-N 3.35Å; D353-R356 PolarHBondContact O-N 3.41Å; D353-R356 IonicContact OD1-CZ 3.9Å; D353-R356 IonicContact OD1-NH1 2.68Å; D353-R356 PolarHBondContact OD1-NH1 3.17Å; R356-R358 PolarHBondContact O-N 2.88Å; R356-E359 PolarHBondContact O-N 3.39Å; R356-E359 VanDerWaalsContact O-N 3.16Å; R356-E360 WeakPolarHBondContact O-CB 3.38Å; R356-E360 PolarHBondContact O-N 3.03Å
357V80.1Confident75.6Confident95 Ų95124.8 Ų124.858%0.57656%0.56SS**Hα-helixtrans-64-28.2179.3170.90000112.2D353 E355 R361D353-V357 WeakPolarHBondContact O-CG2 3.19Å; D353-V357 PolarHBondContact O-N 2.81Å; E355-V357 PolarHBondContact O-N 3.19Å; V357-R361 WeakPolarHBondContact O-CB 3.41Å; V357-R361 PolarHBondContact O-N 3.26Å
358R82.5Confident75.7Confident160 Ų160128 Ų12860%0.60457%0.572SS**Hα-helixtrans-71.9-48.7171.5-75.6168.4165.2-173.9-9111.2K354 E355 R356 E360 R361 E362K354-R358 WeakPolarHBondContact O-CD 3.23Å; K354-R358 WeakPolarHBondContact O-CG 3.41Å; E355-R358 WeakPolarHBondContact O-CB 3.4Å; E355-R358 PolarHBondContact O-N 2.84Å; E355-R358 VanDerWaalsContact O-N 3.12Å; R356-R358 PolarHBondContact O-N 2.88Å; R358-E360 VanDerWaalsContact C-N 3.28Å; R358-E360 PolarHBondContact O-N 3.47Å; R358-R361 WeakPolarHBondContact O-CB 3.32Å; R358-R361 PolarHBondContact O-N 3.38Å; R358-R361 VanDerWaalsContact O-N 3.08Å; R358-E362 PolarHBondContact O-N 2.83Å
359E77.3Confident75.7Confident96 Ų96126.3 Ų126.345%0.44957%0.57SS.*Hα-helixtrans-60.5-39.2179.4-158-166.8175.200111.5E355 R356 E362 R363E355-E359 PolarHBondContact O-N 2.94Å; R356-E359 PolarHBondContact O-N 3.39Å; R356-E359 VanDerWaalsContact O-N 3.16Å; E359-E362 PolarHBondContact O-N 3.47Å; E359-R363 VanDerWaalsContact CD-NH2 3.3Å; E359-R363 WeakPolarHBondContact O-CB 3.29Å; E359-R363 WeakPolarHBondContact O-CG 3.39Å; E359-R363 PolarHBondContact O-N 3.13Å; E359-R363 IonicContact OE1-CZ 2.78Å; E359-R363 IonicContact OE1-NE 3.48Å; E359-R363 PolarHBondContact OE1-NE 3.13Å; E359-R363 IonicContact OE1-NH2 3.59Å; E359-R363 PolarHBondContact OE1-NH2 2.87Å; E359-R363 IonicContact OE2-CZ 2.69Å; E359-R363 IonicContact OE2-NE 2.64Å; E359-R363 IonicContact OE2-NH2 2.68Å; E359-R363 PolarHBondContact OE2-NH2 2.96Å
360E73.2Confident75.8Confident135 Ų135127.5 Ų127.563%0.63157%0.573SS**Hα-helixtrans-64.8-38.2174.2-175.6165.6-144.400112.9R356 R358 E362 R363 S364R356-E360 WeakPolarHBondContact O-CB 3.38Å; R356-E360 PolarHBondContact O-N 3.03Å; R358-E360 VanDerWaalsContact C-N 3.28Å; R358-E360 PolarHBondContact O-N 3.47Å; E360-E362 VanDerWaalsContact C-N 3.33Å; E360-E362 PolarHBondContact O-N 2.9Å; E360-R363 PolarHBondContact O-N 3.3Å; E360-S364 WeakPolarHBondContact O-CB 3.36Å; E360-S364 PolarHBondContact O-N 3.17Å; E360-S364 PolarHBondContact O-OG 3.17Å
361R76.1Confident75.7Confident192 Ų192121.2 Ų121.273%0.72556%0.56SS**Hα-helixtrans-67.1-32.4174.1-166.5170.4-179.11640.6112.5V357 R358 S364 T365V357-R361 WeakPolarHBondContact O-CB 3.41Å; V357-R361 PolarHBondContact O-N 3.26Å; R358-R361 WeakPolarHBondContact O-CB 3.32Å; R358-R361 PolarHBondContact O-N 3.38Å; R358-R361 VanDerWaalsContact O-N 3.08Å; R361-S364 WeakPolarHBondContact CA-OG 3.43Å; R361-S364 PolarHBondContact O-OG 3.44Å; R361-S364 VanDerWaalsContact O-OG 3.1Å; R361-T365 WeakPolarHBondContact O-CB 3.4Å; R361-T365 WeakPolarHBondContact O-CG2 3.29Å; R361-T365 PolarHBondContact O-N 3.21Å; R361-T365 VanDerWaalsContact O-N 3.16Å; R361-T365 PolarHBondContact O-OG1 2.93Å
362E69.6Low75.7Confident133 Ų133118.8 Ų118.862%0.62155%0.553SS**Hα-helixtrans-76.7-39.2174.1-70.8175.1-165.400111.9R358 E359 E360 T365 S366R358-E362 PolarHBondContact O-N 2.83Å; E359-E362 PolarHBondContact O-N 3.47Å; E360-E362 VanDerWaalsContact C-N 3.33Å; E360-E362 PolarHBondContact O-N 2.9Å; E362-T365 PolarHBondContact O-OG1 3.47Å; E362-S366 VanDerWaalsContact O-CB 3.32Å; E362-S366 WeakPolarHBondContact O-CB 3.4Å; E362-S366 PolarHBondContact O-N 2.85Å; E362-S366 PolarHBondContact O-OG 3.06Å
363R72.6Confident75.5Confident143 Ų143121 Ų12154%0.5456%0.562SS.*Hα-helixtrans-66-34.7173.8-72.5167.5175.6-152.32.9112.9E359 E360 S366 K367E359-R363 VanDerWaalsContact CD-NH2 3.3Å; E359-R363 WeakPolarHBondContact O-CB 3.29Å; E359-R363 WeakPolarHBondContact O-CG 3.39Å; E359-R363 PolarHBondContact O-N 3.13Å; E359-R363 IonicContact OE1-CZ 2.78Å; E359-R363 IonicContact OE1-NE 3.48Å; E359-R363 PolarHBondContact OE1-NE 3.13Å; E359-R363 IonicContact OE1-NH2 3.59Å; E359-R363 PolarHBondContact OE1-NH2 2.87Å; E359-R363 IonicContact OE2-CZ 2.69Å; E359-R363 IonicContact OE2-NE 2.64Å; E359-R363 IonicContact OE2-NH2 2.68Å; E359-R363 PolarHBondContact OE2-NH2 2.96Å; E360-R363 PolarHBondContact O-N 3.3Å; R363-S366 WeakPolarHBondContact CA-OG 3.49Å; R363-S366 PolarHBondContact O-OG 2.9Å; R363-S366 VanDerWaalsContact O-OG 3.11Å; R363-K367 WeakPolarHBondContact O-CB 3.45Å; R363-K367 WeakPolarHBondContact O-CG 3.34Å; R363-K367 PolarHBondContact O-N 3.17Å
364S66.7Low75.6Confident59 Ų59123.8 Ų123.841%0.41357%0.571SS.*Hα-helixtrans-76.4-43.6176.549.80000112.6E360 R361 K367 K368E360-S364 WeakPolarHBondContact O-CB 3.36Å; E360-S364 PolarHBondContact O-N 3.17Å; E360-S364 PolarHBondContact O-OG 3.17Å; R361-S364 WeakPolarHBondContact CA-OG 3.43Å; R361-S364 PolarHBondContact O-OG 3.44Å; R361-S364 VanDerWaalsContact O-OG 3.1Å; S364-K367 PolarHBondContact O-N 2.93Å; S364-K368 PolarHBondContact O-N 3.26Å
365T68.4Low75.2Confident76 Ų76122.4 Ų122.447%0.46657%0.566SS.*Hα-helixtrans-66.5-36.6176.150.20000112.9R361 E362 K368 K369R361-T365 WeakPolarHBondContact O-CB 3.4Å; R361-T365 WeakPolarHBondContact O-CG2 3.29Å; R361-T365 PolarHBondContact O-N 3.21Å; R361-T365 VanDerWaalsContact O-N 3.16Å; R361-T365 PolarHBondContact O-OG1 2.93Å; E362-T365 PolarHBondContact O-OG1 3.47Å; T365-K368 PolarHBondContact O-N 3.38Å; T365-K369 PolarHBondContact O-N 2.83Å
366S70.2Confident75.1Confident66 Ų66122.2 Ų122.246%0.46256%0.56SS.*Hα-helixtrans-67.8-39.4172.753.40000113.1E362 R363 K368 K369 K370E362-S366 VanDerWaalsContact O-CB 3.32Å; E362-S366 WeakPolarHBondContact O-CB 3.4Å; E362-S366 PolarHBondContact O-N 2.85Å; E362-S366 PolarHBondContact O-OG 3.06Å; R363-S366 WeakPolarHBondContact CA-OG 3.49Å; R363-S366 PolarHBondContact O-OG 2.9Å; R363-S366 VanDerWaalsContact O-OG 3.11Å; S366-K368 PolarHBondContact O-N 3.38Å; S366-K369 PolarHBondContact O-N 2.93Å; S366-K370 PolarHBondContact O-N 3.04Å
367K72.1Confident74.8Confident156 Ų156119.1 Ų119.168%0.67855%0.552SS**Hα-helixtrans-57.6-45.6169.4-79.1172.5-178.9-178.30111.9R363 S364 K369 K370 S371R363-K367 WeakPolarHBondContact O-CB 3.45Å; R363-K367 WeakPolarHBondContact O-CG 3.34Å; R363-K367 PolarHBondContact O-N 3.17Å; S364-K367 PolarHBondContact O-N 2.93Å; K367-K369 PolarHBondContact O-N 2.81Å; K367-K370 PolarHBondContact O-N 3.2Å; K367-S371 PolarHBondContact O-N 3.39Å
368K75.8Confident74.5Confident164 Ų164123.8 Ų123.871%0.71356%0.56SS**Hα-helixtrans-67.3-29.8-179.7-171.9167.4-176.81700113.7S364 T365 S366 S371 K372S364-K368 PolarHBondContact O-N 3.26Å; T365-K368 PolarHBondContact O-N 3.38Å; S366-K368 PolarHBondContact O-N 3.38Å; K368-S371 PolarHBondContact O-OG 3.19Å; K368-K372 PolarHBondContact O-N 3.32Å
369K75.9Confident74Confident146 Ų146121.4 Ų121.464%0.63556%0.556SS**Hα-helixtrans-65.6-54.2167.2-71.9180177.6-176.10110.4T365 S366 K367 S371 K372 D373T365-K369 PolarHBondContact O-N 2.83Å; S366-K369 PolarHBondContact O-N 2.93Å; K367-K369 PolarHBondContact O-N 2.81Å; K369-S371 PolarHBondContact O-N 3.28Å; K369-S371 VanDerWaalsContact O-N 3.12Å; K369-K372 PolarHBondContact O-N 3.29Å; K369-D373 VanDerWaalsContact O-CG 3.29Å; K369-D373 PolarHBondContact O-N 3.42Å; K369-D373 VanDerWaalsContact O-OD2 3.08Å
370K76.6Confident73.9Confident147 Ų147126.7 Ų126.764%0.63957%0.571SS**Hα-helixtrans-60.1-25.8-177.9-169.3168.5-1741700114.6S366 K367 K374S366-K370 PolarHBondContact O-N 3.04Å; K367-K370 PolarHBondContact O-N 3.2Å; K370-K374 WeakPolarHBondContact O-CG 3.41Å
371S75.2Confident73.8Confident66 Ų66126.5 Ų126.546%0.46257%0.568SS.*Hα-helixtrans-73.8-48169.558.20000111.9K367 K368 K369 D373 K374 E375K367-S371 PolarHBondContact O-N 3.39Å; K368-S371 PolarHBondContact O-OG 3.19Å; K369-S371 PolarHBondContact O-N 3.28Å; K369-S371 VanDerWaalsContact O-N 3.12Å; S371-D373 VanDerWaalsContact C-N 3.3Å; S371-D373 PolarHBondContact O-N 3.13Å; S371-K374 WeakPolarHBondContact O-CB 3.45Å; S371-K374 PolarHBondContact O-N 3.37Å; S371-E375 WeakPolarHBondContact O-CB 3.39Å; S371-E375 PolarHBondContact O-N 2.88Å
372K80.3Confident73Confident109 Ų109120.8 Ų120.847%0.47456%0.558SS.*Hα-helixtrans-64.8-31.8179.8-176.4162.3-174.8158.70113.4K368 K369 E375 R376K368-K372 PolarHBondContact O-N 3.32Å; K369-K372 PolarHBondContact O-N 3.29Å; K372-E375 WeakPolarHBondContact O-CB 3.46Å; K372-R376 WeakPolarHBondContact O-CG 3.37Å; K372-R376 PolarHBondContact O-N 2.85Å; K372-R376 VanDerWaalsContact O-N 3.17Å
373D74.6Confident72.5Confident94 Ų94120.4 Ų120.450%0.50356%0.56SS.*Hα-helixtrans-71.4-36.8175.8-59.9-37.3000111.2K369 S371 E377K369-D373 VanDerWaalsContact O-CG 3.29Å; K369-D373 PolarHBondContact O-N 3.42Å; K369-D373 VanDerWaalsContact O-OD2 3.08Å; S371-D373 VanDerWaalsContact C-N 3.3Å; S371-D373 PolarHBondContact O-N 3.13Å; D373-E377 PolarHBondContact O-N 3.48Å
374K78.7Confident71.8Confident124 Ų124116.7 Ų116.754%0.53957%0.567SS.*Hα-helixtrans-70.5-31.6172.8-80.5-173.8166.9-157.90114K370 S371 E377 R378K370-K374 WeakPolarHBondContact O-CG 3.41Å; S371-K374 WeakPolarHBondContact O-CB 3.45Å; S371-K374 PolarHBondContact O-N 3.37Å; K374-E377 PolarHBondContact O-N 3.08Å; K374-R378 WeakPolarHBondContact O-CG 3.23Å; K374-R378 PolarHBondContact O-N 3.04Å
375E74.9Confident71.4Confident110 Ų110120.9 Ų120.951%0.51458%0.584SS.*Hα-helixtrans-62.7-51.7174.3-172.6168.5-130.300109.5S371 K372 E377 R378 E379S371-E375 WeakPolarHBondContact O-CB 3.39Å; S371-E375 PolarHBondContact O-N 2.88Å; K372-E375 WeakPolarHBondContact O-CB 3.46Å; E375-E377 VanDerWaalsContact C-N 3.3Å; E375-E377 PolarHBondContact O-N 3.16Å; E375-R378 WeakPolarHBondContact O-CA 3.43Å; E375-R378 WeakPolarHBondContact O-CB 3.45Å; E375-R378 PolarHBondContact O-N 3.4Å; E375-E379 PolarHBondContact O-N 3.15Å
376R75.8Confident70.9Confident130 Ų130125.7 Ų125.749%0.49160%0.599SS.*Hα-helixtrans-61.6-31.7173.1-72.3167.8157.4-167.3-12.6114.8K372 R378 E379 R380K372-R376 WeakPolarHBondContact O-CG 3.37Å; K372-R376 PolarHBondContact O-N 2.85Å; K372-R376 VanDerWaalsContact O-N 3.17Å; R376-R378 VanDerWaalsContact C-N 3.27Å; R376-E379 WeakPolarHBondContact CA-OE2 3.33Å; R376-E379 WeakPolarHBondContact CG-OE2 3.47Å; R376-R380 VanDerWaalsContact O-CG 3.31Å; R376-R380 WeakPolarHBondContact O-CG 3.3Å; R376-R380 PolarHBondContact O-N 2.94Å
377E74.3Confident70.2Confident100 Ų100125.2 Ų125.247%0.46760%0.604SS.*Hα-helixtrans-68.1-27.8173.4-157.7-155.9134.200112.3D373 K374 E375 K381D373-E377 PolarHBondContact O-N 3.48Å; K374-E377 PolarHBondContact O-N 3.08Å; E375-E377 VanDerWaalsContact C-N 3.3Å; E375-E377 PolarHBondContact O-N 3.16Å; E377-K381 WeakPolarHBondContact O-CD 3.35Å; E377-K381 WeakPolarHBondContact O-CG 3.43Å; E377-K381 IonicContact OE1-NZ 3.69Å; E377-K381 PolarHBondContact OE1-NZ 3.47Å
378R73.9Confident69.2Low193 Ų193125.1 Ų125.173%0.72861%0.611SS**Hα-helixtrans-79.3-47174.9-70.3165.3168.1-172-7.8111.6K374 E375 R376 R380 K381 S382K374-R378 WeakPolarHBondContact O-CG 3.23Å; K374-R378 PolarHBondContact O-N 3.04Å; E375-R378 WeakPolarHBondContact O-CA 3.43Å; E375-R378 WeakPolarHBondContact O-CB 3.45Å; E375-R378 PolarHBondContact O-N 3.4Å; R376-R378 VanDerWaalsContact C-N 3.27Å; R378-R380 VanDerWaalsContact C-N 3.27Å; R378-R380 PolarHBondContact O-N 3.34Å; R378-K381 WeakPolarHBondContact O-CA 3.37Å; R378-K381 PolarHBondContact O-N 3.29Å; R378-S382 PolarHBondContact O-N 3.29Å; R378-S382 PolarHBondContact O-OG 3.22Å
379E72.1Confident68Low111 Ų111125.1 Ų125.152%0.51962%0.617SS.*Hα-helixtrans-49.8-49.5176-67.6171.2153.600111E375 R376 K381 S382 D383E375-E379 PolarHBondContact O-N 3.15Å; R376-E379 WeakPolarHBondContact CA-OE2 3.33Å; R376-E379 WeakPolarHBondContact CG-OE2 3.47Å; E379-K381 PolarHBondContact O-N 3.29Å; E379-S382 WeakPolarHBondContact CA-OG 3.47Å; E379-S382 PolarHBondContact O-N 3.34Å; E379-S382 PolarHBondContact O-OG 3.32Å; E379-D383 PolarHBondContact O-N 3.44Å; E379-D383 VanDerWaalsContact O-N 3.11Å
380R75.1Confident66.9Low207 Ų207126.8 Ų126.878%0.78162%0.624SS**Hα-helixtrans-64.5-20.1177.5-71.9173.9173.8-163.5-5.7115.2R376 R378R376-R380 VanDerWaalsContact O-CG 3.31Å; R376-R380 WeakPolarHBondContact O-CG 3.3Å; R376-R380 PolarHBondContact O-N 2.94Å; R378-R380 VanDerWaalsContact C-N 3.27Å; R378-R380 PolarHBondContact O-N 3.34Å
381K71.1Confident65.3Low131 Ų131127.3 Ų127.357%0.5763%0.633SS**Hα-helixtrans-89.3-33176.4-75.3172.6177174.60111.6E377 R378 E379E377-K381 WeakPolarHBondContact O-CD 3.35Å; E377-K381 WeakPolarHBondContact O-CG 3.43Å; E377-K381 IonicContact OE1-NZ 3.69Å; E377-K381 PolarHBondContact OE1-NZ 3.47Å; R378-K381 WeakPolarHBondContact O-CA 3.37Å; R378-K381 PolarHBondContact O-N 3.29Å; E379-K381 PolarHBondContact O-N 3.29Å
382S60.3Low63.7Low71 Ų71129.6 Ų129.650%0.49764%0.644SS.*Hα-helixtrans-73.3-25.8173.1430000114.4R378 E379R378-S382 PolarHBondContact O-N 3.29Å; R378-S382 PolarHBondContact O-OG 3.22Å; E379-S382 WeakPolarHBondContact CA-OG 3.47Å; E379-S382 PolarHBondContact O-N 3.34Å; E379-S382 PolarHBondContact O-OG 3.32Å
383D57.8Low61.8Low125 Ų125133.9 Ų133.967%0.66866%0.657SS**SBendtrans-76.9-29.9172.9-101.1-7.1000112.8E379 D385E379-D383 PolarHBondContact O-N 3.44Å; E379-D383 VanDerWaalsContact O-N 3.11Å; D383-D385 PolarHBondContact O-N 3.27Å
384G58.7Low60Low66 Ų66136.3 Ų136.368%0.6867%0.67SS**THydrogen-bonded Turntrans-73.1-12.1178.400000114.7
385D57.7Low58Low146 Ų146139.5 Ų139.578%0.78168%0.68SS**THydrogen-bonded Turntrans-99.420.3-175.5-131.6-3.1000112.1D383D383-D385 PolarHBondContact O-N 3.27Å
386K57.4Low56.8Low177 Ų177141.3 Ų141.377%0.7769%0.693SS**  trans-121.219.8-178.9-71.1-173.5175-1800114
387G55.5Low55.3Low56 Ų56144 Ų14458%0.57771%0.711SS**SBendtrans-91.6145.3168.100000111.7
388D52.5Low53.8Low154 Ų154148.6 Ų148.682%0.82473%0.733SS**  trans54.159163-63-2.4000118.4
389I50.4Low52.4Low164 Ų164148 Ų14884%0.84174%0.738SS**  trans-88.4102.8147.7-59.6178.6000107.5I391I389-I391 PolarHBondContact O-N 3.38Å
390K52Low50.8Low181 Ų181152.3 Ų152.379%0.78776%0.759SS**  trans-71.8116.6174.9-66.7179.6-179.1178.30109.2T392K390-T392 PolarHBondContact O-N 3.18Å
391I42.5Very low48.8Very low159 Ų159145.9 Ų145.982%0.81576%0.756SS**  trans-68.9110.8170.3-60.4171.8000107.3I389 R393I389-I391 PolarHBondContact O-N 3.38Å; I391-R393 PolarHBondContact O-N 3.34Å
392T42Very low46.9Very low113 Ų113150.3 Ų150.369%0.69377%0.771SS**  trans-66127.6162.440.60000108K390K390-T392 PolarHBondContact O-N 3.18Å
393R39.8Very low45.4Very low199 Ų199153 Ų15375%0.75178%0.78SS**  trans-100.485.7-176.7-177.8-175.9-172.9160.82.1107.6I391 Y395I391-R393 PolarHBondContact O-N 3.34Å; R393-Y395 HydrophobicContact CG-CD2 4.43Å; R393-Y395 HydrophobicContact CG-CE2 4.46Å; R393-Y395 PolarHBondContact O-N 2.91Å
394D38.3Very low44.5Very low145 Ų145152.2 Ų152.278%0.77578%0.784SS**PPolyproline II helixtrans-62.8132.9171.8-52.7-43000107.7
395Y36.5Very low43.3Very low192 Ų192158.1 Ų158.175%0.75379%0.794SS**PPolyproline II helixtrans-93.6155.5-167.6-117-103.6000112.1R393R393-Y395 HydrophobicContact CG-CD2 4.43Å; R393-Y395 HydrophobicContact CG-CE2 4.46Å; R393-Y395 PolarHBondContact O-N 2.91Å
396D49.8Very low42.2Very low148 Ų148161 Ų16179%0.79180%0.8SS**PPolyproline II helixtrans-97.9116.7-173.4178.121.6000109.7
397E43.5Very low41.1Very low185 Ų185160.7 Ų160.786%0.86480%0.801SS**  trans-160.651.2-178.3-144.2161.6-124.200114.1
398E42.1Very low40Very low197 Ų197167.1 Ų167.192%0.92181%0.808SS**  trans-106.956.9167.4-79.5-161.9171.100112.9
399E45.8Very low39.1Very low180 Ų180166 Ų16684%0.84180%0.798SS**  trans-153.592.3159.9-142.4173.5-152.700114.5
400Q39.1Very low38.1Very low203 Ų203166.1 Ų166.195%0.94979%0.794SS**  trans-166.6149.1152.5-110.5145107.800109.1
401G32.8Very low37.2Very low71 Ų71169.7 Ų169.773%0.73280%0.803SS**  trans-150-179.3-173.700000114.8
402Y29.8Very low36.7Very low224 Ų224170 Ų17088%0.87880%0.798SS**  trans74.9135.4170.2-100.4-92.4000120.2
403D30.5Very low36.1Very low128 Ų128170.3 Ų170.368%0.68480%0.796SS**  trans75.8107148.6-121-50000120.5
404S37.8Very low35.6Very low108 Ų108166.5 Ų166.576%0.75580%0.8SS**  172.6158.288.9-91.30000113.9
405E33.5Very low35.2Very low190 Ų190166.8 Ų166.889%0.88880%0.801SS**  trans-64148.2-170.5-49.8171.7123.500115.4
406K35.3Very low34.7Very low208 Ų208164.6 Ų164.690%0.90480%0.803SS**  -157.6142.1120.7-144.4155.3-171.2163.70114.8
407E33.2Very low34Very low170 Ų170161.9 Ų161.979%0.79480%0.795SS**  trans-78-176.4170.7-55.1-179.2103.500113.7
408R33.4Very low33.4Very low190 Ų190157.9 Ų157.972%0.71779%0.794SS**  trans78139.6160.6-70.9-178.2141.3-75.9-29116.8
409E32.4Very low32.9Very low132 Ų132157.3 Ų157.362%0.61779%0.793SS**  cis176.7165.1-13.9-174170.1-103.800103.1
410E30.9Very low32.4Very low165 Ų165153.8 Ų153.877%0.77179%0.789SS**  trans-50142.5177.7-51.3172.4115.100114.4
411R32.8Very low32.7Very low256 Ų256150.7 Ų150.797%0.96679%0.786SS**  trans-138.5148.4133.8-71.7-156.3174.7-161.1-4.3110.6
412K32.3Very low32.6Very low166 Ų166155.6 Ų155.672%0.72279%0.79SS**  trans-138.5155.9-162.8-144.2-171.3168.3-118.70110.2
413D27.9Very low32.7Very low119 Ų119150 Ų15064%0.63678%0.783SS**  trans47.1111157-53.5-25.8000121.2
414S29.6Very low32.8Very low119 Ų119149 Ų14983%0.83278%0.782SS**  -178.6111.5123.720.90000107.3
415D30.6Very low32.5Very low152 Ų152153 Ų15381%0.81379%0.789SS**  cis81.5114.744.8-160-12.9000113.3S417D415-S417 PolarHBondContact OD1-N 3.3Å
416D26.6Very low32.2Very low146 Ų146147.7 Ų147.778%0.78179%0.785SS**  trans-146.2100.9146.3-170-140.7000111.4
417S33.4Very low31.9Very low90 Ų90146.2 Ų146.263%0.62979%0.787SS**  trans59.899.9134.3-56.90000121.4D415D415-S417 PolarHBondContact OD1-N 3.3Å
418A31.7Very low31.8Very low101 Ų101142 Ų14284%0.83579%0.788SS**  -163.7135.3124.300000111.8
419M32.2Very low31.8Very low186 Ų186138.3 Ų138.392%0.91679%0.792SS**  trans-85.1142-171-74.6-79.9113.500114.7
420S33.8Very low31.9Very low106 Ų106138.9 Ų138.974%0.74181%0.805SS**  trans-86.9169.5155.6-55.60000110.3
421P45.8Very low32Very low138 Ų138142 Ų14290%0.89681%0.809SS**  -143-168.887.436.4-18.6000114.4
422Q30.3Very low31.9Very low174 Ų174137.9 Ų137.981%0.81381%0.806SS**  trans-125.7144.2-157.1175.1-175.3-5.900113.2
423S32.6Very low31.9Very low105 Ų105135 Ų13573%0.73480%0.802SS**  trans65162.9169.566.10000115.8
424V33.1Very low32.2Very low109 Ų109137.9 Ų137.966%0.66181%0.809SS**  cis-151.2-179.232.2-68.30000113.5
425E30.6Very low32.2Very low192 Ų192141.2 Ų141.290%0.89781%0.811SS**  trans70.4155.8155.9-70.9-176.6105.300121.8
426G27.8Very low32.5Very low78 Ų78138.5 Ų138.580%0.80481%0.81SS**  trans151.672.4175.500000116.3
427N29.9Very low33Very low177 Ų177140.9 Ų140.995%0.94781%0.813SS**  trans-69.2152.7177.1-93.9-39.7000114.2
428G29.6Very low32.9Very low80 Ų80141.9 Ų141.983%0.82582%0.815SS**  trans-171.193.8169.500000114.2
429S34.3Very low33Very low114 Ų114144.7 Ų144.780%0.79782%0.816SS**  trans-131.6134.7-175.7177.90000112.5
430T33.3Very low32.9Very low144 Ų144139.1 Ų139.188%0.88381%0.806SS**  trans-141.1152.6160.746.30000111.3
431R33.6Very low32.9Very low230 Ų230138.4 Ų138.487%0.86881%0.807SS**  trans-98.2159.9-171.8-58.9167.1172.1167.4-5.3111.7
432L31.8Very low32.4Very low170 Ų170138.4 Ų138.489%0.8980%0.799SS**  trans-149.5-174.2131.9-108.3172.9000110.8
433V32.1Very low32.9Very low106 Ų106137.7 Ų137.764%0.64280%0.801SS**  trans-149.3156.4-133.6146.50000113.7
434K32.8Very low33.4Very low179 Ų179142.4 Ų142.478%0.77880%0.803SS**  trans79.2131.2177.2-72.7161.9-177.8-1800114.9
435Q30.6Very low33.7Very low188 Ų188145.3 Ų145.388%0.87981%0.809SS**  cis87.3140.848.4-77.8-170.3-18.600114.2
436A36.9Very low34.2Very low95 Ų95145.3 Ų145.379%0.78581%0.809SS**  trans-96.9160.5-177.300000112.9
437K35.9Very low34.9Very low197 Ų197148.9 Ų148.986%0.85781%0.805SS**  trans179.5146.4137.8-105.1-177.3179-176.20114.5
438V33Very low35.7Very low110 Ų110148.2 Ų148.267%0.66780%0.801SS**  trans74.8115.3136.3170.10000121.6
439N32Very low37Very low160 Ų160152.7 Ų152.786%0.85680%0.802SS**  trans56.8148.3135.1-54.610.1000123.9
440G30.7Very low37.7Very low69 Ų69155 Ų15571%0.71181%0.806SS**  trans14483.8177.500000108.5
441A34.3Very low38.6Very low91 Ų91155.2 Ų155.275%0.75281%0.807SS**  9013264.400000112.3
442D35.8Very low39.4Very low138 Ų138149.8 Ų149.874%0.73880%0.804SS**  trans48122.5172.9-63.3-70.9000119.5
443D41.1Very low40Very low159 Ų159153 Ų15385%0.8582%0.822SS**  -157.2168.393.5-141.9-26.9000111.6
444R42.4Very low40.4Very low205 Ų205155.3 Ų155.377%0.77483%0.831SS**  trans-108.9147.6-164.3-52.4175.7-176.4-167.8-0.7113.4
445H38.7Very low40.8Very low170 Ų170154.1 Ų154.179%0.78783%0.834SS**  trans-17093.8130.2-113.4-68.9000111.8
446E42Very low41.4Very low191 Ų191152.2 Ų152.289%0.89383%0.831SS**  trans-113.6120.8153.1-70.8179.2159.300106.2
447E42.9Very low41.6Very low154 Ų154155.5 Ų155.572%0.7283%0.834SS**  trans-144.7105.1160.1-74.7-164.2162.500108.1
448D45.5Very low42Very low162 Ų162152.9 Ų152.987%0.86683%0.832SS**  trans-67.4150.1162.9-69.2-54.7000110
449M57Low42.6Very low174 Ų174155.8 Ų155.886%0.85784%0.843SS**  trans-13885.7162.2-75.8-160.1177.100110.8
450D49.6Very low43.3Very low162 Ų162155.5 Ų155.587%0.86684%0.843SS**  trans-12091.8168.6-126.2-17.4000108.7
451V52.3Low44.3Very low149 Ų149162.2 Ų162.290%0.90385%0.853SS**  trans-151.8146.6159.2-126.50000111.2
452S50.6Low45.2Very low116 Ų116168.1 Ų168.181%0.81186%0.861SS**  trans-97.8156.3-171.9-41.50000114.4
453D43.9Very low46Very low237 Ų237170.8 Ų170.8100%1.26787%0.872SS**  -148.10121.6-152.9-32000108.6

Retrieved 453 of 453 residues in 197 ms (Link to these results)

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