A0A5K4EZW6_SCHMA Loading...

RNA-binding protein Nova-1

AlphaFold DB , UniProt , Accession A0A5K4EZW6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 642 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
1M61Low87.6Confident218 Ų21842.1 Ų42.1100%1.07422%0.221SC*.  01430-70.3174.4171.800107.7T59M1-T59 HydrophobicContact CB-CG2 4.42Å; M1-T59 HydrophobicContact SD-CG2 3.75Å
2S74.6Confident87.9Confident90 Ų9043.3 Ų43.363%0.62923%0.228SC*.  trans-72.4136.5177.2-47.90000110.9
3E83.2Confident88.1Confident101 Ų10144.6 Ų44.647%0.47224%0.239SC..  trans-85.9115178.2-165.9175.6-163.300109.1R36 I57E3-R36 IonicContact OE1-CZ 3.87Å; E3-R36 IonicContact OE1-NH1 2.66Å; E3-R36 PolarHBondContact OE1-NH1 3.48Å; E3-R36 IonicContact OE2-NH1 3.21Å; E3-I57 VanDerWaalsContact CD-CG2 3.42Å; E3-I57 HydrophobicContact CG-CG2 3.41Å; E3-I57 VanDerWaalsContact CG-CG2 3.41Å; E3-I57 WeakPolarHBondContact OE1-CG2 3.48Å
4L89.7Confident88.4Confident5 Ų541.5 Ų41.53%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-90127.9-177.2178.962.5000110.2I57 G58 L60 C63 L162 I165 L166L4-I57 WeakPolarHBondContact O-CA 3.25Å; L4-G58 WeakPolarHBondContact CB-O 3.5Å; L4-G58 PolarHBondContact N-O 3.18Å; L4-G58 PolarHBondContact O-N 2.86Å; L4-L60 HydrophobicContact CD2-CB 4.34Å; L4-L60 HydrophobicContact CD2-CD1 3.78Å; L4-C63 HydrophobicContact CD2-CB 4Å; L4-L162 HydrophobicContact CD2-CB 4.28Å; L4-L162 HydrophobicContact CD2-CD2 4.19Å; L4-I165 HydrophobicContact CD1-CB 4.07Å; L4-I165 HydrophobicContact CD1-CG2 3.54Å; L4-L166 HydrophobicContact CB-CD1 4.29Å; L4-L166 HydrophobicContact CD1-CB 4.21Å; L4-L166 HydrophobicContact CD1-CD1 4.34Å
5H91.5Very high88.8Confident34 Ų3438.7 Ų38.716%0.15721%0.207CC..EExtended strand (participates in β ladder)trans-99121.3175.1-69.5-168.6000109.8A172 T175H5-A172 PolarHBondContact CE1-O 3.19Å; H5-A172 VanDerWaalsContact CE1-O 3.24Å; H5-A172 WeakPolarHBondContact ND1-CA 3.48Å; H5-A172 PolarHBondContact ND1-O 3.49Å; H5-T175 WeakPolarHBondContact CE1-CG2 3.38Å; H5-T175 WeakPolarHBondContact ND1-CG2 3.18Å
6F93.1Very high89.1Confident2 Ų238.9 Ų38.91%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-134.7119.8-172.8177.3-158.3000111.4I8 I56 C63 H67 I100 V158 L162F6-I8 HydrophobicContact CD1-CD1 4.36Å; F6-I8 HydrophobicContact CD2-CG1 4.13Å; F6-I8 HydrophobicContact CE1-CD1 3.79Å; F6-I8 HydrophobicContact CE1-CG1 4.17Å; F6-I8 HydrophobicContact CE2-CD1 4.16Å; F6-I8 HydrophobicContact CE2-CG1 3.66Å; F6-I8 HydrophobicContact CZ-CD1 3.66Å; F6-I8 HydrophobicContact CZ-CG1 3.7Å; F6-I56 HydrophobicContact CB-CB 4.38Å; F6-I56 HydrophobicContact CD1-CD1 4.07Å; F6-I56 HydrophobicContact CE1-CD1 4.45Å; F6-I56 PolarHBondContact N-O 3.3Å; F6-I56 PolarHBondContact O-N 3.41Å; F6-C63 HydrophobicContact CD1-CB 3.94Å; F6-H67 HydrophobicContact CE1-CB 3.79Å; F6-H67 HydrophobicContact CZ-CB 4.28Å; F6-I100 HydrophobicContact CD2-CG2 4.13Å; F6-I100 HydrophobicContact CE2-CB 4.49Å; F6-I100 HydrophobicContact CE2-CD1 4.02Å; F6-I100 HydrophobicContact CE2-CG1 4.02Å; F6-I100 HydrophobicContact CE2-CG2 3.83Å; F6-V158 HydrophobicContact CE1-CG1 4.41Å; F6-V158 HydrophobicContact CZ-CG1 3.84Å; F6-L162 HydrophobicContact CB-CD2 4.15Å; F6-L162 HydrophobicContact CD1-CD1 4.09Å; F6-L162 HydrophobicContact CD1-CD2 3.69Å; F6-L162 HydrophobicContact CD2-CD2 3.59Å; F6-L162 HydrophobicContact CE1-CD1 3.74Å; F6-L162 HydrophobicContact CE1-CD2 3.79Å; F6-L162 HydrophobicContact CE1-CG 4.26Å; F6-L162 HydrophobicContact CE2-CD2 3.75Å; F6-L162 HydrophobicContact CG-CD2 3.57Å; F6-L162 HydrophobicContact CZ-CD1 4.21Å; F6-L162 HydrophobicContact CZ-CD2 3.84Å; F6-L162 HydrophobicContact CZ-CG 4.33Å
7K93.1Very high89.4Confident8 Ų837.8 Ų37.84%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-109.4132.1178.8-70.5-176.2-172.6177.90112.2V53 C54 L55 I100 L101 E142 Y174 N176 Y179K7-V53 HydrophobicContact CB-CG1 4.5Å; K7-V53 HydrophobicContact CD-CG1 4.2Å; K7-V53 HydrophobicContact CG-CG1 4.38Å; K7-C54 CarbonylContact C-O 3.58Å; K7-C54 WeakPolarHBondContact CA-O 3.23Å; K7-L55 HydrophobicContact CG-CB 4.42Å; K7-L55 HydrophobicContact CG-CD1 3.73Å; K7-I100 WeakPolarHBondContact O-CA 3.27Å; K7-I100 WeakPolarHBondContact O-CG2 3.49Å; K7-L101 HydrophobicContact CB-CB 3.76Å; K7-L101 HydrophobicContact CB-CD1 4.37Å; K7-L101 HydrophobicContact CB-CG 4.35Å; K7-L101 HydrophobicContact CD-CB 4.12Å; K7-L101 HydrophobicContact CD-CD1 4.16Å; K7-L101 PolarHBondContact O-N 3.21Å; K7-E142 IonicContact NZ-OE1 2.64Å; K7-E142 PolarHBondContact NZ-OE1 3.25Å; K7-E142 IonicContact NZ-OE2 3.61Å; K7-Y174 WeakPolarHBondContact CE-O 3.27Å; K7-Y174 PolarHBondContact NZ-O 2.64Å; K7-N176 WeakPolarHBondContact CE-O 3.4Å; K7-N176 PolarHBondContact NZ-O 3.14Å; K7-Y179 PolarHBondContact NZ-OH 2.95Å
8I94.8Very high89.7Confident0 Ų035.7 Ų35.70%021%0.206CC..EExtended strand (participates in β ladder)trans-125.1138.3177.7-50.4174.4000109.1F6 C54 I56 H67 M71 K99F6-I8 HydrophobicContact CD1-CD1 4.36Å; F6-I8 HydrophobicContact CD2-CG1 4.13Å; F6-I8 HydrophobicContact CE1-CD1 3.79Å; F6-I8 HydrophobicContact CE1-CG1 4.17Å; F6-I8 HydrophobicContact CE2-CD1 4.16Å; F6-I8 HydrophobicContact CE2-CG1 3.66Å; F6-I8 HydrophobicContact CZ-CD1 3.66Å; F6-I8 HydrophobicContact CZ-CG1 3.7Å; I8-C54 HydrophobicContact CB-CB 4.5Å; I8-C54 PolarHBondContact N-O 3.33Å; I8-C54 PolarHBondContact O-N 3.21Å; I8-I56 HydrophobicContact CD1-CD1 3.73Å; I8-H67 HydrophobicContact CD1-CB 4.11Å; I8-M71 HydrophobicContact CG2-CE 3.73Å; I8-K99 CarbonylContact C-O 3.55Å; I8-K99 VanDerWaalsContact CA-O 3.32Å; I8-K99 WeakPolarHBondContact CA-O 3.45Å; I8-K99 WeakPolarHBondContact CG2-O 3.17Å
9L94.5Very high90Very high0 Ų036.1 Ų36.10%021%0.206CC..EExtended strand (participates in β ladder)trans-84.1129168.1-60.4-175.4000111Y46 T49 E51 V53 K99 L101L9-Y46 HydrophobicContact CD1-CD1 4.12Å; L9-Y46 HydrophobicContact CD1-CG 4.31Å; L9-Y46 VanDerWaalsContact CD2-CB 3.45Å; L9-Y46 HydrophobicContact CD2-CD1 4.48Å; L9-Y46 HydrophobicContact CD2-CD2 4.31Å; L9-Y46 HydrophobicContact CD2-CG 3.84Å; L9-T49 HydrophobicContact CD1-CG2 4.38Å; L9-E51 HydrophobicContact CB-CB 4.1Å; L9-V53 HydrophobicContact CD2-CG2 3.86Å; L9-K99 HydrophobicContact CB-CB 3.86Å; L9-K99 HydrophobicContact CB-CD 4.35Å; L9-K99 HydrophobicContact CD1-CB 4.28Å; L9-K99 HydrophobicContact CD1-CD 3.94Å; L9-K99 HydrophobicContact CG-CB 4.24Å; L9-K99 PolarHBondContact N-O 3.2Å; L9-L101 HydrophobicContact CD1-CD2 4.17Å; L9-L101 HydrophobicContact CD2-CD1 3.85Å; L9-L101 HydrophobicContact CD2-CD2 4.1Å; L9-L101 HydrophobicContact CD2-CG 3.98Å; L9-L101 HydrophobicContact CG-CD2 4.1Å; L9-L101 HydrophobicContact CG-CG 4.22Å
10V94.7Very high90.2Very high0 Ų035.4 Ų35.40%021%0.208CC..EExtended strand (participates in β ladder)trans-120.1122.6-173.7175.40000110N12 A14 A15 I18 M39 E51 R52 C54 V70V10-N12 PolarHBondContact O-N 2.74Å; V10-A14 HydrophobicContact CG1-CB 4.3Å; V10-A15 HydrophobicContact CG1-CB 4.06Å; V10-I18 HydrophobicContact CG1-CD1 3.48Å; V10-I18 VanDerWaalsContact CG1-CD1 3.48Å; V10-I18 HydrophobicContact CG2-CD1 4.37Å; V10-M39 HydrophobicContact CB-SD 4.36Å; V10-M39 HydrophobicContact CG1-CE 4.45Å; V10-M39 HydrophobicContact CG2-CE 4.33Å; V10-M39 HydrophobicContact CG2-SD 4.48Å; V10-E51 CarbonylContact O-C 3.2Å; V10-E51 WeakPolarHBondContact O-CA 3.45Å; V10-R52 PolarHBondContact N-O 3.46Å; V10-R52 PolarHBondContact O-N 3.25Å; V10-C54 HydrophobicContact CG2-CB 3.63Å; V10-V70 HydrophobicContact CG2-CG1 3.94Å
11P93.3Very high90.4Very high5 Ų542.2 Ų42.23%0.03224%0.235CC..EExtended strand (participates in β ladder)trans-54.9134.8172.6-24.532.1000111.6V13 A14 A15 E51 I74P11-V13 HydrophobicContact CB-CG2 4.45Å; P11-V13 PolarHBondContact O-N 3.45Å; P11-V13 VanDerWaalsContact O-N 3.12Å; P11-A14 HydrophobicContact CB-CB 4.48Å; P11-A14 WeakPolarHBondContact O-CA 3.45Å; P11-A14 WeakPolarHBondContact O-CB 3.22Å; P11-A14 PolarHBondContact O-N 3.08Å; P11-A15 PolarHBondContact O-N 2.71Å; P11-A15 VanDerWaalsContact O-N 3.14Å; P11-E51 WeakPolarHBondContact CG-OE1 3.41Å; P11-I74 HydrophobicContact CG-CG2 4.38Å
12N91.2Very high92Very high57 Ų5742.6 Ų42.631%0.30523%0.23SC..Hα-helixtrans-58.4-34.2-171.7-160.510000113V10 A14 A15 A42 F45 R52V10-N12 PolarHBondContact O-N 2.74Å; N12-A14 VanDerWaalsContact C-N 3.27Å; N12-A14 PolarHBondContact O-N 3.33Å; N12-A15 WeakPolarHBondContact O-CB 3.27Å; N12-A15 PolarHBondContact O-N 2.74Å; N12-A42 PolarHBondContact ND2-O 2.99Å; N12-A42 VanDerWaalsContact ND2-O 3.17Å; N12-F45 HydrophobicContact CB-CE1 4.25Å; N12-R52 WeakPolarHBondContact OD1-CD 3.43Å; N12-R52 PolarHBondContact OD1-NH1 3.25Å
13V90.4Very high92.9Very high60 Ų6039.3 Ų39.336%0.36421%0.211SC..Hα-helixtrans-64.5-28.2175.8-56.80000113.5P11 R77 Q79P11-V13 HydrophobicContact CB-CG2 4.45Å; P11-V13 PolarHBondContact O-N 3.45Å; P11-V13 VanDerWaalsContact O-N 3.12Å; V13-R77 WeakPolarHBondContact O-CD 3.49Å; V13-R77 PolarHBondContact O-NH1 3.14Å; V13-Q79 HydrophobicContact CG2-CB 4.05Å; V13-Q79 HydrophobicContact CG2-CG 4.2Å; V13-Q79 VanDerWaalsContact CG2-OE1 3.25Å
14A92.5Very high93.6Very high1 Ų140.8 Ų40.81%0.00822%0.218CC..Hα-helixtrans-84.3-32.517700000112V10 P11 N12 G16 A17 I18 I74V10-A14 HydrophobicContact CG1-CB 4.3Å; P11-A14 HydrophobicContact CB-CB 4.48Å; P11-A14 WeakPolarHBondContact O-CA 3.45Å; P11-A14 WeakPolarHBondContact O-CB 3.22Å; P11-A14 PolarHBondContact O-N 3.08Å; N12-A14 VanDerWaalsContact C-N 3.27Å; N12-A14 PolarHBondContact O-N 3.33Å; A14-G16 VanDerWaalsContact C-N 3.26Å; A14-G16 PolarHBondContact O-N 3.45Å; A14-A17 WeakPolarHBondContact O-CA 3.24Å; A14-A17 WeakPolarHBondContact O-CB 3.38Å; A14-A17 PolarHBondContact O-N 3.43Å; A14-I18 HydrophobicContact CB-CD1 4.45Å; A14-I18 PolarHBondContact O-N 2.97Å; A14-I18 VanDerWaalsContact O-N 3.09Å; A14-I74 HydrophobicContact CB-CB 4.32Å; A14-I74 HydrophobicContact CB-CG1 3.67Å
15A94.3Very high93.9Very high0 Ų041.9 Ų41.90%023%0.227CC..Hα-helixtrans-53-41.3-179.300000112.8V10 P11 N12 A17 I18 I19V10-A15 HydrophobicContact CG1-CB 4.06Å; P11-A15 PolarHBondContact O-N 2.71Å; P11-A15 VanDerWaalsContact O-N 3.14Å; N12-A15 WeakPolarHBondContact O-CB 3.27Å; N12-A15 PolarHBondContact O-N 2.74Å; A15-A17 VanDerWaalsContact C-N 3.32Å; A15-A17 PolarHBondContact O-N 3.48Å; A15-I18 PolarHBondContact O-N 3.35Å; A15-I19 WeakPolarHBondContact O-CB 3.38Å; A15-I19 VanDerWaalsContact O-CG1 3.27Å; A15-I19 WeakPolarHBondContact O-CG1 3.19Å; A15-I19 PolarHBondContact O-N 3.21Å
16G93.5Very high94.1Very high41 Ų4141 Ų4142%0.42322%0.224SC..Hα-helixtrans-63.3-30.7175.200000114.7A14 G20A14-G16 VanDerWaalsContact C-N 3.26Å; A14-G16 PolarHBondContact O-N 3.45Å; G16-G20 PolarHBondContact O-N 3.13Å
17A93.7Very high94.2Very high20 Ų2045.1 Ų45.117%0.16524%0.243CC..Hα-helixtrans-80.6-22.4175.400000113.2A14 A15 K73A14-A17 WeakPolarHBondContact O-CA 3.24Å; A14-A17 WeakPolarHBondContact O-CB 3.38Å; A14-A17 PolarHBondContact O-N 3.43Å; A15-A17 VanDerWaalsContact C-N 3.32Å; A15-A17 PolarHBondContact O-N 3.48Å; A17-K73 HydrophobicContact CB-CB 4.44Å; A17-K73 HydrophobicContact CB-CD 4.48Å; A17-K73 PolarHBondContact O-NZ 3.42Å
18I95.7Very high94.4Very high0 Ų047.6 Ų47.60%026%0.259CS..Hα-helixtrans-77.4-46.8173.6-68.5159.1000109.7V10 A14 A15 M39 Y69 V70 K73V10-I18 HydrophobicContact CG1-CD1 3.48Å; V10-I18 VanDerWaalsContact CG1-CD1 3.48Å; V10-I18 HydrophobicContact CG2-CD1 4.37Å; A14-I18 HydrophobicContact CB-CD1 4.45Å; A14-I18 PolarHBondContact O-N 2.97Å; A14-I18 VanDerWaalsContact O-N 3.09Å; A15-I18 PolarHBondContact O-N 3.35Å; I18-M39 HydrophobicContact CG2-CE 4Å; I18-Y69 HydrophobicContact CG2-CE1 4.13Å; I18-Y69 PolarHBondContact O-OH 3.09Å; I18-Y69 VanDerWaalsContact O-OH 3.08Å; I18-V70 HydrophobicContact CD1-CB 4.4Å; I18-V70 HydrophobicContact CD1-CG1 3.93Å; I18-V70 HydrophobicContact CD1-CG2 4.27Å; I18-V70 HydrophobicContact CG2-CG2 4.22Å; I18-K73 HydrophobicContact CD1-CB 4.31Å; I18-K73 HydrophobicContact CG1-CB 3.53Å; I18-K73 HydrophobicContact CG1-CG 3.86Å
19I95.7Very high94.5Very high43 Ų4348.5 Ų48.522%0.22126%0.264CS..Hα-helixtrans-65.3-48.3177.2-64164.6000111.4A15 G23 A25 I26 M39A15-I19 WeakPolarHBondContact O-CB 3.38Å; A15-I19 VanDerWaalsContact O-CG1 3.27Å; A15-I19 WeakPolarHBondContact O-CG1 3.19Å; A15-I19 PolarHBondContact O-N 3.21Å; I19-G23 CarbonylContact O-C 3.54Å; I19-G23 WeakPolarHBondContact O-CA 3.36Å; I19-A25 PolarHBondContact O-N 3.17Å; I19-I26 HydrophobicContact CG1-CD1 4.13Å; I19-I26 HydrophobicContact CG2-CG2 4.27Å; I19-I26 WeakPolarHBondContact O-CG2 3.45Å; I19-I26 PolarHBondContact O-N 3.16Å; I19-I26 VanDerWaalsContact O-N 3.16Å; I19-M39 HydrophobicContact CD1-CG 4.42Å
20G94.5Very high94.6Very high23 Ų2350.8 Ų50.824%0.23727%0.273CS..  trans78.6174.2-175.300000113.8G16 K22 G23G16-G20 PolarHBondContact O-N 3.13Å; G20-K22 PolarHBondContact O-N 2.94Å; G20-G23 PolarHBondContact O-N 2.98Å
21K94.3Very high94.7Very high178 Ų17860 Ų6077%0.77431%0.308SS*.G310 helixtrans-61.6131.7177.8-65.6-179.9-179.9178.60109.1G23 E24K21-G23 PolarHBondContact O-N 3.27Å; K21-E24 VanDerWaalsContact O-CB 3.23Å; K21-E24 WeakPolarHBondContact O-CB 3.19Å; K21-E24 PolarHBondContact O-N 3.48Å
22K93.9Very high94.8Very high226 Ų22666.3 Ų66.398%0.98334%0.337SS*.G310 helixtrans51.916.2-178.8-57.1-176.9178.6-178.80115.8G20G20-K22 PolarHBondContact O-N 2.94Å
23G93.9Very high95Very high21 Ų2164.5 Ų64.522%0.21633%0.328CS..G310 helixtrans79.212.4-173.600000115.3I19 G20 K21 I26 E27I19-G23 CarbonylContact O-C 3.54Å; I19-G23 WeakPolarHBondContact O-CA 3.36Å; G20-G23 PolarHBondContact O-N 2.98Å; K21-G23 PolarHBondContact O-N 3.27Å; G23-I26 WeakPolarHBondContact O-CG2 3.11Å; G23-E27 WeakPolarHBondContact O-CB 3.26Å; G23-E27 PolarHBondContact O-N 2.58Å
24E96.5Very high95.2Very high133 Ų13365 Ų6562%0.62135%0.346SS*.Hα-helixtrans-59.8-50-179.1-179.9-174.8-165.800112.9K21 I26 E27 T28K21-E24 VanDerWaalsContact O-CB 3.23Å; K21-E24 WeakPolarHBondContact O-CB 3.19Å; K21-E24 PolarHBondContact O-N 3.48Å; E24-I26 PolarHBondContact O-N 2.9Å; E24-E27 PolarHBondContact O-N 3.34Å; E24-T28 PolarHBondContact O-N 2.85Å; E24-T28 PolarHBondContact O-OG1 3Å; E24-T28 VanDerWaalsContact O-OG1 3.13Å
25A96Very high95.2Very high27 Ų2765.2 Ų65.222%0.22335%0.347CS..Hα-helixtrans-70.2-36.3-171.400000112.8I19 I29 Y69I19-A25 PolarHBondContact O-N 3.17Å; A25-I29 WeakPolarHBondContact O-CG2 3.38Å; A25-I29 PolarHBondContact O-N 3.06Å; A25-Y69 WeakPolarHBondContact CB-OH 3.35Å
26I96.3Very high95.2Very high16 Ų1672.2 Ų72.28%0.08237%0.374CS..Hα-helixtrans-71-30.8175.4-169166.3000112.1I19 G23 E24 K30 L37I19-I26 HydrophobicContact CG1-CD1 4.13Å; I19-I26 HydrophobicContact CG2-CG2 4.27Å; I19-I26 WeakPolarHBondContact O-CG2 3.45Å; I19-I26 PolarHBondContact O-N 3.16Å; I19-I26 VanDerWaalsContact O-N 3.16Å; G23-I26 WeakPolarHBondContact O-CG2 3.11Å; E24-I26 PolarHBondContact O-N 2.9Å; I26-K30 WeakPolarHBondContact O-CE 3.4Å; I26-K30 VanDerWaalsContact O-CG 3.27Å; I26-K30 WeakPolarHBondContact O-CG 3.28Å; I26-K30 PolarHBondContact O-N 2.86Å; I26-L37 HydrophobicContact CD1-CD2 3.51Å; I26-L37 HydrophobicContact CG1-CD2 3.92Å
27E96.5Very high95.2Very high88 Ų8870.8 Ų70.841%0.41136%0.357SS..Hα-helixtrans-78.4-36.7176.7-15957.5-144.200112.3G23 E24 K30 R31G23-E27 WeakPolarHBondContact O-CB 3.26Å; G23-E27 PolarHBondContact O-N 2.58Å; E24-E27 PolarHBondContact O-N 3.34Å; E27-K30 WeakPolarHBondContact OE2-CE 3.44Å; E27-K30 IonicContact OE2-NZ 2.64Å; E27-K30 PolarHBondContact OE2-NZ 3.32Å; E27-R31 WeakPolarHBondContact O-CB 3.36Å; E27-R31 PolarHBondContact O-N 3.01Å; E27-R31 VanDerWaalsContact O-N 3.09Å
28T96.9Very high95.2Very high61 Ų6176 Ų7637%0.37438%0.375SS..Hα-helixtrans-60-49.2172.4-65.70000111.6E24 R31 Q32E24-T28 PolarHBondContact O-N 2.85Å; E24-T28 PolarHBondContact O-OG1 3Å; E24-T28 VanDerWaalsContact O-OG1 3.13Å; T28-R31 PolarHBondContact O-N 3.49Å; T28-Q32 WeakPolarHBondContact O-CG 3.29Å; T28-Q32 PolarHBondContact O-N 2.93Å
29I96.4Very high95.1Very high19 Ų1977.2 Ų77.210%0.09738%0.381CS..Hα-helixtrans-70.6-34.1-177.7-163.367.8000112.8A25 R31 Q32 T33 L66 Y69A25-I29 WeakPolarHBondContact O-CG2 3.38Å; A25-I29 PolarHBondContact O-N 3.06Å; I29-R31 VanDerWaalsContact C-N 3.33Å; I29-R31 PolarHBondContact O-N 3.3Å; I29-Q32 PolarHBondContact O-N 3.42Å; I29-T33 HydrophobicContact CD1-CG2 4.34Å; I29-T33 HydrophobicContact CG1-CG2 4.35Å; I29-T33 WeakPolarHBondContact O-CG2 3.45Å; I29-T33 PolarHBondContact O-N 3.07Å; I29-T33 PolarHBondContact O-OG1 3.41Å; I29-L66 HydrophobicContact CB-CD2 4.21Å; I29-L66 HydrophobicContact CG1-CD2 3.52Å; I29-L66 HydrophobicContact CG2-CD2 3.75Å; I29-Y69 HydrophobicContact CB-CD1 4.49Å; I29-Y69 HydrophobicContact CB-CE1 4.4Å; I29-Y69 HydrophobicContact CB-CE2 4.42Å; I29-Y69 HydrophobicContact CD1-CD2 4.04Å; I29-Y69 HydrophobicContact CD1-CG 4.23Å; I29-Y69 HydrophobicContact CG1-CD1 4.14Å; I29-Y69 HydrophobicContact CG1-CD2 4.04Å; I29-Y69 HydrophobicContact CG1-CE2 4.44Å; I29-Y69 HydrophobicContact CG1-CG 3.87Å; I29-Y69 HydrophobicContact CG2-CD1 4.09Å; I29-Y69 HydrophobicContact CG2-CE1 3.84Å
30K96.1Very high95Very high47 Ų4775.4 Ų75.420%0.20437%0.372CS..Hα-helixtrans-57.7-46169.2-77.2179.8-129.2163.50111.5I26 E27 Q32 T33 G34 A35 L37I26-K30 WeakPolarHBondContact O-CE 3.4Å; I26-K30 VanDerWaalsContact O-CG 3.27Å; I26-K30 WeakPolarHBondContact O-CG 3.28Å; I26-K30 PolarHBondContact O-N 2.86Å; E27-K30 WeakPolarHBondContact OE2-CE 3.44Å; E27-K30 IonicContact OE2-NZ 2.64Å; E27-K30 PolarHBondContact OE2-NZ 3.32Å; K30-Q32 VanDerWaalsContact C-N 3.31Å; K30-Q32 PolarHBondContact O-N 3.38Å; K30-T33 PolarHBondContact O-N 2.92Å; K30-G34 WeakPolarHBondContact O-CA 3.36Å; K30-G34 PolarHBondContact O-N 3.44Å; K30-A35 WeakPolarHBondContact CB-O 3.38Å; K30-A35 WeakPolarHBondContact CG-O 3.4Å; K30-L37 HydrophobicContact CD-CB 4.48Å; K30-L37 WeakPolarHBondContact CE-O 3.4Å; K30-L37 HydrophobicContact CG-CB 4.02Å
31R96.3Very high95Very high195 Ų19582.9 Ų82.974%0.73639%0.394SS*.Hα-helixtrans-65.7-34.2-179.7-163.8-173.8-51.5179.36.2112.6E27 T28 I29E27-R31 WeakPolarHBondContact O-CB 3.36Å; E27-R31 PolarHBondContact O-N 3.01Å; E27-R31 VanDerWaalsContact O-N 3.09Å; T28-R31 PolarHBondContact O-N 3.49Å; I29-R31 VanDerWaalsContact C-N 3.33Å; I29-R31 PolarHBondContact O-N 3.3Å
32Q96.1Very high94.8Very high137 Ų13777.2 Ų77.264%0.6438%0.38SS*.Hα-helixtrans-71.8-38.8176.8-73.7171.1-3300112.8T28 I29 K30T28-Q32 WeakPolarHBondContact O-CG 3.29Å; T28-Q32 PolarHBondContact O-N 2.93Å; I29-Q32 PolarHBondContact O-N 3.42Å; K30-Q32 VanDerWaalsContact C-N 3.31Å; K30-Q32 PolarHBondContact O-N 3.38Å
33T95Very high94.4Very high18 Ų1872 Ų7211%0.1136%0.363CS..Hα-helixtrans-94.8-12.8-176.662.70000114.1I29 K30 A35 A62 Q65 L66I29-T33 HydrophobicContact CD1-CG2 4.34Å; I29-T33 HydrophobicContact CG1-CG2 4.35Å; I29-T33 WeakPolarHBondContact O-CG2 3.45Å; I29-T33 PolarHBondContact O-N 3.07Å; I29-T33 PolarHBondContact O-OG1 3.41Å; K30-T33 PolarHBondContact O-N 2.92Å; T33-A35 PolarHBondContact O-N 3.5Å; T33-A35 PolarHBondContact OG1-N 3.44Å; T33-A62 VanDerWaalsContact O-CB 3.28Å; T33-A62 WeakPolarHBondContact O-CB 3.41Å; T33-Q65 HydrophobicContact CG2-CB 3.95Å; T33-L66 HydrophobicContact CG2-CD2 4.22Å; T33-L66 HydrophobicContact CG2-CG 4.07Å
34G94Very high94.3Very high72 Ų7271.4 Ų71.474%0.74235%0.354SS*.  trans71-2.2-173.100000114.5K30K30-G34 WeakPolarHBondContact O-CA 3.36Å; K30-G34 PolarHBondContact O-N 3.44Å
35A93.8Very high94Very high4 Ų468.1 Ų68.13%0.03334%0.338CS..  trans-90.6152-177.200000112.8K30 T33 I57 A62 L66K30-A35 WeakPolarHBondContact CB-O 3.38Å; K30-A35 WeakPolarHBondContact CG-O 3.4Å; T33-A35 PolarHBondContact O-N 3.5Å; T33-A35 PolarHBondContact OG1-N 3.44Å; A35-I57 CarbonylContact C-O 3.53Å; A35-I57 WeakPolarHBondContact CA-O 3.37Å; A35-I57 WeakPolarHBondContact CB-O 3.33Å; A35-A62 HydrophobicContact CB-CB 3.69Å; A35-L66 HydrophobicContact CB-CD1 3.53Å
36R93Very high93.7Very high148 Ų14867 Ų6756%0.55833%0.328SS*.EExtended strand (participates in β ladder)trans-87.9126.9175.9-59.1152.966.9-160.44.8108E3 I57E3-R36 IonicContact OE1-CZ 3.87Å; E3-R36 IonicContact OE1-NH1 2.66Å; E3-R36 PolarHBondContact OE1-NH1 3.48Å; E3-R36 IonicContact OE2-NH1 3.21Å; R36-I57 HydrophobicContact CB-CB 4.25Å; R36-I57 PolarHBondContact N-O 3.07Å; R36-I57 PolarHBondContact O-N 3.33Å
37L94.2Very high93.1Very high11 Ų1167 Ų676%0.05833%0.329CS..EExtended strand (participates in β ladder)trans-125.2129.6176.1-166.7161.3000110.4I26 K30 L55 I56 L66I26-L37 HydrophobicContact CD1-CD2 3.51Å; I26-L37 HydrophobicContact CG1-CD2 3.92Å; K30-L37 HydrophobicContact CD-CB 4.48Å; K30-L37 WeakPolarHBondContact CE-O 3.4Å; K30-L37 HydrophobicContact CG-CB 4.02Å; L37-L55 WeakPolarHBondContact CA-O 3.29Å; L37-I56 HydrophobicContact CD1-CG1 3.92Å; L37-I56 HydrophobicContact CG-CG1 4.01Å; L37-L66 HydrophobicContact CB-CD1 4.41Å; L37-L66 HydrophobicContact CD1-CB 4.44Å; L37-L66 HydrophobicContact CD1-CD1 4.16Å; L37-L66 HydrophobicContact CD1-CD2 3.88Å; L37-L66 HydrophobicContact CD1-CG 4.4Å
38K93.5Very high92.4Very high129 Ų12963.9 Ų63.956%0.56132%0.321SS*.EExtended strand (participates in β ladder)trans-126.6138.4176.3-178174172.9-1730110.2C54 L55 C177K38-C54 CarbonylContact O-C 3.54Å; K38-C54 WeakPolarHBondContact O-CA 3.45Å; K38-L55 PolarHBondContact N-O 3.36Å; K38-L55 PolarHBondContact O-N 2.99Å; K38-C177 HydrophobicContact CD-CB 4.43Å
39M94.1Very high91.9Very high25 Ų2561.9 Ų61.912%0.12331%0.309CS..EExtended strand (participates in β ladder)trans-109.7147.6172.6-166.96963.500109V10 I18 I19 R52 V53 C54V10-M39 HydrophobicContact CB-SD 4.36Å; V10-M39 HydrophobicContact CG1-CE 4.45Å; V10-M39 HydrophobicContact CG2-CE 4.33Å; V10-M39 HydrophobicContact CG2-SD 4.48Å; I18-M39 HydrophobicContact CG2-CE 4Å; I19-M39 HydrophobicContact CD1-CG 4.42Å; M39-R52 HydrophobicContact SD-CB 4.1Å; M39-V53 CarbonylContact C-O 3.51Å; M39-V53 WeakPolarHBondContact CA-O 3.25Å; M39-C54 HydrophobicContact CE-CB 3.75Å; M39-C54 HydrophobicContact SD-CB 3.8Å
40S94.5Very high91.6Very high5 Ų564.6 Ų64.64%0.03533%0.326CS..  trans-62.4168.1166.473.60000111.4D44 R52 V53 C177S40-D44 WeakPolarHBondContact CB-O 3.38Å; S40-D44 PolarHBondContact OG-O 3.47Å; S40-R52 PolarHBondContact O-NE 3.4Å; S40-R52 PolarHBondContact O-NH2 2.92Å; S40-R52 WeakPolarHBondContact OG-CA 3.44Å; S40-R52 VanDerWaalsContact OG-CB 3.27Å; S40-R52 WeakPolarHBondContact OG-CB 3.29Å; S40-V53 PolarHBondContact N-O 3.26Å; S40-V53 PolarHBondContact OG-N 2.94Å; S40-V53 VanDerWaalsContact OG-N 3.1Å; S40-C177 WeakPolarHBondContact CB-O 3.42Å
41R92.9Very high91.4Very high181 Ų18162.5 Ų62.568%0.68332%0.317SS*.  trans-66.7170.9176.4-54.5-178.3173.8-177.1-1.4111.5D43 D44 R52R41-D43 WeakPolarHBondContact CB-OD1 3.33Å; R41-D43 PolarHBondContact O-N 3.12Å; R41-D44 HydrophobicContact CB-CB 3.69Å; R41-D44 HydrophobicContact CG-CB 4.38Å; R41-D44 PolarHBondContact O-N 3.17Å; R41-R52 WeakPolarHBondContact O-CD 3.45Å; R41-R52 PolarHBondContact O-NE 3.36Å
42A89.9Confident91.3Very high58 Ų5854.3 Ų54.348%0.47929%0.286SS..SBendtrans-70.6-20-172.800000114.2N12 F45N12-A42 PolarHBondContact ND2-O 2.99Å; N12-A42 VanDerWaalsContact ND2-O 3.17Å; A42-F45 WeakPolarHBondContact O-CE1 3.41Å; A42-F45 VanDerWaalsContact O-CZ 3.24Å; A42-F45 WeakPolarHBondContact O-CZ 3.28Å
43D87.4Confident91.2Very high118 Ų11847.8 Ų47.863%0.63126%0.255SS*.SBendtrans-109.7-7.3-176.455.3-41.1000113R41R41-D43 WeakPolarHBondContact CB-OD1 3.33Å; R41-D43 PolarHBondContact O-N 3.12Å
44D90.8Very high91.2Very high7 Ų746.9 Ų46.94%0.03725%0.25CS..  trans-105.682.2-170.7-178.124.1000109.1S40 R41 S178 Y179 S180S40-D44 WeakPolarHBondContact CB-O 3.38Å; S40-D44 PolarHBondContact OG-O 3.47Å; R41-D44 HydrophobicContact CB-CB 3.69Å; R41-D44 HydrophobicContact CG-CB 4.38Å; R41-D44 PolarHBondContact O-N 3.17Å; D44-S178 WeakPolarHBondContact OD1-CA 3.4Å; D44-S178 PolarHBondContact OD1-OG 3.16Å; D44-S178 VanDerWaalsContact OD1-OG 3.05Å; D44-S178 VanDerWaalsContact OD2-CA 3.24Å; D44-S178 WeakPolarHBondContact OD2-CA 3.4Å; D44-S178 WeakPolarHBondContact OD2-CB 3.32Å; D44-S178 PolarHBondContact OD2-OG 3.23Å; D44-Y179 PolarHBondContact OD1-N 3.37Å; D44-S180 PolarHBondContact OD1-N 2.96Å
45F90.6Very high91.3Very high64 Ų6443.7 Ų43.728%0.28122%0.216SC..BIsolated β-bridgetrans-88.4157.4-177.6-51.6-62.9000111.8N12 A42 T49 T50 E51 R52N12-F45 HydrophobicContact CB-CE1 4.25Å; A42-F45 WeakPolarHBondContact O-CE1 3.41Å; A42-F45 VanDerWaalsContact O-CZ 3.24Å; A42-F45 WeakPolarHBondContact O-CZ 3.28Å; F45-T49 VanDerWaalsContact CB-O 3.32Å; F45-T49 WeakPolarHBondContact CB-O 3.39Å; F45-T50 VanDerWaalsContact CD1-C 3.46Å; F45-E51 CarbonylContact C-O 3.6Å; F45-E51 WeakPolarHBondContact CA-O 3.12Å; F45-R52 HydrophobicContact CD1-CG 3.87Å; F45-R52 HydrophobicContact CE1-CG 3.98Å
46Y89.6Confident91.3Very high5 Ų543.5 Ų43.52%0.0222%0.215CC..PPolyproline II helixtrans-65.1135164.8-174.9-97.2000109.3L9 G48 T49 E51 V53 L101 L140 Y179 V186L9-Y46 HydrophobicContact CD1-CD1 4.12Å; L9-Y46 HydrophobicContact CD1-CG 4.31Å; L9-Y46 VanDerWaalsContact CD2-CB 3.45Å; L9-Y46 HydrophobicContact CD2-CD1 4.48Å; L9-Y46 HydrophobicContact CD2-CD2 4.31Å; L9-Y46 HydrophobicContact CD2-CG 3.84Å; Y46-G48 PolarHBondContact O-N 3.13Å; Y46-T49 HydrophobicContact CD1-CG2 4.13Å; Y46-T49 WeakPolarHBondContact O-CB 3.4Å; Y46-T49 PolarHBondContact O-N 3.34Å; Y46-T49 PolarHBondContact O-OG1 3.45Å; Y46-E51 PolarHBondContact N-O 3.01Å; Y46-V53 HydrophobicContact CD2-CG2 4.27Å; Y46-L101 HydrophobicContact CD1-CD2 4.36Å; Y46-L101 HydrophobicContact CD2-CD1 3.42Å; Y46-L101 VanDerWaalsContact CD2-CD1 3.42Å; Y46-L101 HydrophobicContact CD2-CD2 3.9Å; Y46-L101 HydrophobicContact CD2-CG 4.3Å; Y46-L101 HydrophobicContact CE1-CD2 4.05Å; Y46-L101 HydrophobicContact CE2-CD1 3.54Å; Y46-L101 HydrophobicContact CE2-CD2 3.54Å; Y46-L101 HydrophobicContact CE2-CG 4.17Å; Y46-L101 HydrophobicContact CG-CD1 4.26Å; Y46-L101 HydrophobicContact CG-CD2 4.28Å; Y46-L140 HydrophobicContact CE2-CD1 4.21Å; Y46-L140 WeakPolarHBondContact OH-CD1 3.46Å; Y46-Y179 HydrophobicContact CD2-CD1 4.15Å; Y46-Y179 HydrophobicContact CD2-CD2 4.48Å; Y46-Y179 AromaticContact CD2-CE1 3.96Å; Y46-Y179 HydrophobicContact CD2-CE1 3.96Å; Y46-Y179 HydrophobicContact CD2-CE2 4.35Å; Y46-Y179 HydrophobicContact CD2-CG 4.42Å; Y46-Y179 HydrophobicContact CE2-CD1 4.29Å; Y46-Y179 AromaticContact CE2-CE1 3.87Å; Y46-Y179 HydrophobicContact CE2-CE1 3.87Å; Y46-V186 HydrophobicContact CE1-CG1 4.45Å
47P84.4Confident91.3Very high15 Ų1537.2 Ų37.210%0.09719%0.192CC..THydrogen-bonded Turntrans-56.4137.9-171.4-28.738.5000112.5T49 Y179 V182 V186P47-T49 VanDerWaalsContact C-N 3.29Å; P47-T49 PolarHBondContact O-N 3Å; P47-Y179 HydrophobicContact CG-CD1 4.27Å; P47-Y179 HydrophobicContact CG-CG 4.37Å; P47-V182 HydrophobicContact CB-CG1 4.39Å; P47-V182 HydrophobicContact CG-CB 3.93Å; P47-V182 HydrophobicContact CG-CG1 3.95Å; P47-V186 HydrophobicContact CB-CB 3.66Å; P47-V186 HydrophobicContact CB-CG1 4.13Å; P47-V186 HydrophobicContact CB-CG2 3.53Å; P47-V186 HydrophobicContact CG-CG2 4.2Å
48G80.6Confident91.3Very high23 Ų2337.2 Ų37.224%0.23719%0.194CC..THydrogen-bonded Turntrans75.612.3-175.600000115.4Y46Y46-G48 PolarHBondContact O-N 3.13Å
49T86.9Confident91.3Very high19 Ų1933.5 Ų33.512%0.11718%0.183CC..SBendtrans-137.4166.1177.977.90000111.8L9 F45 Y46 P47 E51 A189 F190L9-T49 HydrophobicContact CD1-CG2 4.38Å; F45-T49 VanDerWaalsContact CB-O 3.32Å; F45-T49 WeakPolarHBondContact CB-O 3.39Å; Y46-T49 HydrophobicContact CD1-CG2 4.13Å; Y46-T49 WeakPolarHBondContact O-CB 3.4Å; Y46-T49 PolarHBondContact O-N 3.34Å; Y46-T49 PolarHBondContact O-OG1 3.45Å; P47-T49 VanDerWaalsContact C-N 3.29Å; P47-T49 PolarHBondContact O-N 3Å; T49-E51 VanDerWaalsContact C-N 3.32Å; T49-E51 PolarHBondContact OG1-N 3.48Å; T49-E51 VanDerWaalsContact OG1-N 3.16Å; T49-E51 PolarHBondContact OG1-O 3.04Å; T49-A189 HydrophobicContact CG2-CB 3.72Å; T49-F190 HydrophobicContact CG2-CE2 4.09Å
50T89.3Confident91.2Very high76 Ų7633.5 Ų33.547%0.46618%0.183SC..SBendtrans-99.925.5166.851.50000111.5F45F45-T50 VanDerWaalsContact CD1-C 3.46Å
51E92Very high91.2Very high2 Ų238.1 Ų38.11%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-115.9135.3-167.5-52.5-165.2101.200111L9 V10 P11 F45 Y46 T49 R94 K99L9-E51 HydrophobicContact CB-CB 4.1Å; V10-E51 CarbonylContact O-C 3.2Å; V10-E51 WeakPolarHBondContact O-CA 3.45Å; P11-E51 WeakPolarHBondContact CG-OE1 3.41Å; F45-E51 CarbonylContact C-O 3.6Å; F45-E51 WeakPolarHBondContact CA-O 3.12Å; Y46-E51 PolarHBondContact N-O 3.01Å; T49-E51 VanDerWaalsContact C-N 3.32Å; T49-E51 PolarHBondContact OG1-N 3.48Å; T49-E51 VanDerWaalsContact OG1-N 3.16Å; T49-E51 PolarHBondContact OG1-O 3.04Å; E51-R94 IonicContact OE1-CZ 3.96Å; E51-R94 IonicContact OE1-NE 3.62Å; E51-R94 PolarHBondContact OE1-NE 3.23Å; E51-R94 IonicContact OE1-NH2 3.89Å; E51-R94 PolarHBondContact OE1-NH2 3.26Å; E51-R94 IonicContact OE2-CZ 3.93Å; E51-R94 IonicContact OE2-NE 3.14Å; E51-R94 IonicContact OE2-NH2 2.83Å; E51-K99 WeakPolarHBondContact OE2-CD 3.37Å; E51-K99 WeakPolarHBondContact OE2-CE 3.49Å; E51-K99 IonicContact OE2-NZ 2.57Å; E51-K99 PolarHBondContact OE2-NZ 3.22Å
52R94.8Very high91.3Very high23 Ų2329.7 Ų29.79%0.08717%0.173CC..EExtended strand (participates in β ladder)trans-88.8147.3-176-73.2170.964.1-176.13110.6V10 N12 M39 S40 R41 F45V10-R52 PolarHBondContact N-O 3.46Å; V10-R52 PolarHBondContact O-N 3.25Å; N12-R52 WeakPolarHBondContact OD1-CD 3.43Å; N12-R52 PolarHBondContact OD1-NH1 3.25Å; M39-R52 HydrophobicContact SD-CB 4.1Å; S40-R52 PolarHBondContact O-NE 3.4Å; S40-R52 PolarHBondContact O-NH2 2.92Å; S40-R52 WeakPolarHBondContact OG-CA 3.44Å; S40-R52 VanDerWaalsContact OG-CB 3.27Å; S40-R52 WeakPolarHBondContact OG-CB 3.29Å; R41-R52 WeakPolarHBondContact O-CD 3.45Å; R41-R52 PolarHBondContact O-NE 3.36Å; F45-R52 HydrophobicContact CD1-CG 3.87Å; F45-R52 HydrophobicContact CE1-CG 3.98Å
53V94.6Very high91.5Very high0 Ų026.9 Ų26.90%015%0.15CC..EExtended strand (participates in β ladder)trans-88.7118.1-178.1-176.30000109.5K7 L9 M39 S40 Y46 L101 Y179K7-V53 HydrophobicContact CB-CG1 4.5Å; K7-V53 HydrophobicContact CD-CG1 4.2Å; K7-V53 HydrophobicContact CG-CG1 4.38Å; L9-V53 HydrophobicContact CD2-CG2 3.86Å; M39-V53 CarbonylContact C-O 3.51Å; M39-V53 WeakPolarHBondContact CA-O 3.25Å; S40-V53 PolarHBondContact N-O 3.26Å; S40-V53 PolarHBondContact OG-N 2.94Å; S40-V53 VanDerWaalsContact OG-N 3.1Å; Y46-V53 HydrophobicContact CD2-CG2 4.27Å; V53-L101 HydrophobicContact CG1-CD1 4.05Å; V53-L101 HydrophobicContact CG2-CD1 4.1Å; V53-Y179 HydrophobicContact CB-CE2 4.28Å; V53-Y179 HydrophobicContact CG1-CE2 4.29Å; V53-Y179 HydrophobicContact CG2-CD2 3.97Å; V53-Y179 HydrophobicContact CG2-CE2 3.67Å
54C95.5Very high91.8Very high0 Ų021.7 Ų21.70%012%0.122CC..EExtended strand (participates in β ladder)trans-99.9109.3171.6-176.80000108.8K7 I8 V10 K38 M39K7-C54 CarbonylContact C-O 3.58Å; K7-C54 WeakPolarHBondContact CA-O 3.23Å; I8-C54 HydrophobicContact CB-CB 4.5Å; I8-C54 PolarHBondContact N-O 3.33Å; I8-C54 PolarHBondContact O-N 3.21Å; V10-C54 HydrophobicContact CG2-CB 3.63Å; K38-C54 CarbonylContact O-C 3.54Å; K38-C54 WeakPolarHBondContact O-CA 3.45Å; M39-C54 HydrophobicContact CE-CB 3.75Å; M39-C54 HydrophobicContact SD-CB 3.8Å
55L94.8Very high92.1Very high5 Ų525 Ų253%0.02614%0.138CC..EExtended strand (participates in β ladder)trans-95.2121.6171.517561.2000109.4K7 L37 K38 I57 T175 C177K7-L55 HydrophobicContact CG-CB 4.42Å; K7-L55 HydrophobicContact CG-CD1 3.73Å; L37-L55 WeakPolarHBondContact CA-O 3.29Å; K38-L55 PolarHBondContact N-O 3.36Å; K38-L55 PolarHBondContact O-N 2.99Å; L55-I57 HydrophobicContact CD1-CG1 4.02Å; L55-I57 HydrophobicContact CD2-CD1 3.93Å; L55-I57 HydrophobicContact CD2-CG1 4.2Å; L55-I57 HydrophobicContact CG-CD1 4.15Å; L55-I57 HydrophobicContact CG-CG1 3.86Å; L55-T175 WeakPolarHBondContact CD2-O 3.42Å; L55-C177 VanDerWaalsContact CB-SG 3.56Å; L55-C177 VanDerWaalsContact CD2-SG 3.52Å
56I94.6Very high92.3Very high0 Ų022 Ų220%012%0.124CC..EExtended strand (participates in β ladder)trans-106.4138.2170.9-58.4161.4000107.7F6 I8 L37 C63 L66F6-I56 HydrophobicContact CB-CB 4.38Å; F6-I56 HydrophobicContact CD1-CD1 4.07Å; F6-I56 HydrophobicContact CE1-CD1 4.45Å; F6-I56 PolarHBondContact N-O 3.3Å; F6-I56 PolarHBondContact O-N 3.41Å; I8-I56 HydrophobicContact CD1-CD1 3.73Å; L37-I56 HydrophobicContact CD1-CG1 3.92Å; L37-I56 HydrophobicContact CG-CG1 4.01Å; I56-C63 HydrophobicContact CG2-CB 4.44Å; I56-L66 HydrophobicContact CD1-CB 3.77Å; I56-L66 HydrophobicContact CG1-CB 4.24Å; I56-L66 HydrophobicContact CG1-CD1 4.43Å; I56-L66 HydrophobicContact CG2-CB 4.12Å; I56-L66 HydrophobicContact CG2-CD1 3.48Å; I56-L66 VanDerWaalsContact CG2-CD1 3.48Å; I56-L66 HydrophobicContact CG2-CG 4.43Å
57I93Very high92.6Very high15 Ų1521.9 Ų21.98%0.07712%0.124CC..EExtended strand (participates in β ladder)trans-137121.5178.4-53.9178.8000108.4E3 L4 A35 R36 L55E3-I57 VanDerWaalsContact CD-CG2 3.42Å; E3-I57 HydrophobicContact CG-CG2 3.41Å; E3-I57 VanDerWaalsContact CG-CG2 3.41Å; E3-I57 WeakPolarHBondContact OE1-CG2 3.48Å; L4-I57 WeakPolarHBondContact O-CA 3.25Å; A35-I57 CarbonylContact C-O 3.53Å; A35-I57 WeakPolarHBondContact CA-O 3.37Å; A35-I57 WeakPolarHBondContact CB-O 3.33Å; R36-I57 HydrophobicContact CB-CB 4.25Å; R36-I57 PolarHBondContact N-O 3.07Å; R36-I57 PolarHBondContact O-N 3.33Å; L55-I57 HydrophobicContact CD1-CG1 4.02Å; L55-I57 HydrophobicContact CD2-CD1 3.93Å; L55-I57 HydrophobicContact CD2-CG1 4.2Å; L55-I57 HydrophobicContact CG-CD1 4.15Å; L55-I57 HydrophobicContact CG-CG1 3.86Å
58G93.2Very high93.1Very high11 Ų1123 Ų2311%0.11313%0.129CC..EExtended strand (participates in β ladder)trans173.6-155.8-178.900000113.8L4L4-G58 WeakPolarHBondContact CB-O 3.5Å; L4-G58 PolarHBondContact N-O 3.18Å; L4-G58 PolarHBondContact O-N 2.86Å
59T93.7Very high93.8Very high52 Ų5223.9 Ų23.932%0.31913%0.126SC..  trans-74.6161.8170.161.70000110.8M1 E61 A62 C63M1-T59 HydrophobicContact CB-CG2 4.42Å; M1-T59 HydrophobicContact SD-CG2 3.75Å; T59-E61 VanDerWaalsContact C-N 3.29Å; T59-E61 PolarHBondContact O-N 3.04Å; T59-A62 PolarHBondContact O-N 2.98Å; T59-A62 WeakPolarHBondContact OG1-CB 3.32Å; T59-A62 PolarHBondContact OG1-N 3.16Å; T59-C63 WeakPolarHBondContact O-CB 3.3Å; T59-C63 PolarHBondContact O-N 3.06Å; T59-C63 PolarHBondContact O-SG 3.35Å; T59-C63 VanDerWaalsContact O-SG 3.41Å
60L92.4Very high94.2Very high25 Ų2523 Ų2313%0.13112%0.12CC..Hα-helixtrans-51.5-48.2174.5176.261.3000112.3L4 C63 I64 L162 Y163 L166L4-L60 HydrophobicContact CD2-CB 4.34Å; L4-L60 HydrophobicContact CD2-CD1 3.78Å; L60-C63 WeakPolarHBondContact O-CB 3.37Å; L60-C63 PolarHBondContact O-N 2.99Å; L60-I64 HydrophobicContact CD1-CD1 4.1Å; L60-I64 HydrophobicContact CD1-CG1 4.46Å; L60-I64 HydrophobicContact CG-CD1 4.09Å; L60-I64 WeakPolarHBondContact O-CG1 3.45Å; L60-I64 PolarHBondContact O-N 2.78Å; L60-L162 HydrophobicContact CD1-CB 3.45Å; L60-L162 VanDerWaalsContact CD1-CB 3.45Å; L60-L162 HydrophobicContact CD1-CD1 4.18Å; L60-L162 HydrophobicContact CD1-CG 4.45Å; L60-Y163 HydrophobicContact CD2-CD1 3.66Å; L60-Y163 HydrophobicContact CD2-CD2 4.3Å; L60-Y163 HydrophobicContact CD2-CE1 3.35Å; L60-Y163 HydrophobicContact CD2-CE2 4.03Å; L60-Y163 HydrophobicContact CD2-CG 4.13Å; L60-L166 HydrophobicContact CB-CD2 4.34Å; L60-L166 HydrophobicContact CD2-CD2 4.22Å
61E94Very high94.4Very high101 Ų10119.5 Ų19.547%0.47210%0.099SC..Hα-helixtrans-60.3-47.6178.3-178.555.1-14800112T59 C63 I64 Q65T59-E61 VanDerWaalsContact C-N 3.29Å; T59-E61 PolarHBondContact O-N 3.04Å; E61-C63 VanDerWaalsContact C-N 3.29Å; E61-C63 PolarHBondContact O-N 3.4Å; E61-I64 PolarHBondContact O-N 2.7Å; E61-I64 VanDerWaalsContact O-N 3.17Å; E61-Q65 WeakPolarHBondContact O-CG 3.27Å; E61-Q65 PolarHBondContact O-N 3.31Å; E61-Q65 PolarHBondContact OE1-NE2 2.76Å
62A94.8Very high94.5Very high4 Ų421.6 Ų21.63%0.03312%0.116CC..Hα-helixtrans-64.6-33.5178.100000112.6T33 A35 T59 L66T33-A62 VanDerWaalsContact O-CB 3.28Å; T33-A62 WeakPolarHBondContact O-CB 3.41Å; A35-A62 HydrophobicContact CB-CB 3.69Å; T59-A62 PolarHBondContact O-N 2.98Å; T59-A62 WeakPolarHBondContact OG1-CB 3.32Å; T59-A62 PolarHBondContact OG1-N 3.16Å; A62-L66 WeakPolarHBondContact O-CB 3.38Å; A62-L66 WeakPolarHBondContact O-CG 3.27Å; A62-L66 PolarHBondContact O-N 3.17Å
63C94.8Very high94.4Very high0 Ų022.9 Ų22.90%012%0.123CC..Hα-helixtrans-65.8-40.5172.8-76.90000112.5L4 F6 I56 T59 L60 E61 H67 L162L4-C63 HydrophobicContact CD2-CB 4Å; F6-C63 HydrophobicContact CD1-CB 3.94Å; I56-C63 HydrophobicContact CG2-CB 4.44Å; T59-C63 WeakPolarHBondContact O-CB 3.3Å; T59-C63 PolarHBondContact O-N 3.06Å; T59-C63 PolarHBondContact O-SG 3.35Å; T59-C63 VanDerWaalsContact O-SG 3.41Å; L60-C63 WeakPolarHBondContact O-CB 3.37Å; L60-C63 PolarHBondContact O-N 2.99Å; E61-C63 VanDerWaalsContact C-N 3.29Å; E61-C63 PolarHBondContact O-N 3.4Å; C63-H67 WeakPolarHBondContact O-CB 3.38Å; C63-H67 PolarHBondContact O-N 2.86Å; C63-L162 HydrophobicContact CB-CD1 4.28Å
64I94.8Very high94.3Very high9 Ų923.1 Ų23.15%0.04612%0.124CC..Hα-helixtrans-65.8-49.5174.9-67.4166.5000110.2L60 E61 L66 H67 D68 E159 L162L60-I64 HydrophobicContact CD1-CD1 4.1Å; L60-I64 HydrophobicContact CD1-CG1 4.46Å; L60-I64 HydrophobicContact CG-CD1 4.09Å; L60-I64 WeakPolarHBondContact O-CG1 3.45Å; L60-I64 PolarHBondContact O-N 2.78Å; E61-I64 PolarHBondContact O-N 2.7Å; E61-I64 VanDerWaalsContact O-N 3.17Å; I64-L66 VanDerWaalsContact C-N 3.33Å; I64-L66 PolarHBondContact O-N 3.48Å; I64-H67 WeakPolarHBondContact O-CB 3.4Å; I64-H67 PolarHBondContact O-N 3.2Å; I64-H67 VanDerWaalsContact O-N 3.12Å; I64-D68 VanDerWaalsContact O-CG 3.27Å; I64-D68 PolarHBondContact O-N 3.19Å; I64-E159 HydrophobicContact CD1-CG 4.32Å; I64-L162 HydrophobicContact CG1-CD1 3.72Å
65Q95.5Very high93.9Very high77 Ų7725.5 Ų25.536%0.3614%0.14SC..Hα-helixtrans-59.6-40.8178.8-68.3179.114.200112.7T33 E61 D68 Y69T33-Q65 HydrophobicContact CG2-CB 3.95Å; E61-Q65 WeakPolarHBondContact O-CG 3.27Å; E61-Q65 PolarHBondContact O-N 3.31Å; E61-Q65 PolarHBondContact OE1-NE2 2.76Å; Q65-D68 PolarHBondContact O-N 3.19Å; Q65-Y69 PolarHBondContact O-N 3.27Å
66L96Very high93.4Very high0 Ų033.4 Ų33.40%017%0.174CC..Hα-helixtrans-70.2-34.5175.4-76.3173.6000112.9I29 T33 A35 L37 I56 A62 I64 V70I29-L66 HydrophobicContact CB-CD2 4.21Å; I29-L66 HydrophobicContact CG1-CD2 3.52Å; I29-L66 HydrophobicContact CG2-CD2 3.75Å; T33-L66 HydrophobicContact CG2-CD2 4.22Å; T33-L66 HydrophobicContact CG2-CG 4.07Å; A35-L66 HydrophobicContact CB-CD1 3.53Å; L37-L66 HydrophobicContact CB-CD1 4.41Å; L37-L66 HydrophobicContact CD1-CB 4.44Å; L37-L66 HydrophobicContact CD1-CD1 4.16Å; L37-L66 HydrophobicContact CD1-CD2 3.88Å; L37-L66 HydrophobicContact CD1-CG 4.4Å; I56-L66 HydrophobicContact CD1-CB 3.77Å; I56-L66 HydrophobicContact CG1-CB 4.24Å; I56-L66 HydrophobicContact CG1-CD1 4.43Å; I56-L66 HydrophobicContact CG2-CB 4.12Å; I56-L66 HydrophobicContact CG2-CD1 3.48Å; I56-L66 VanDerWaalsContact CG2-CD1 3.48Å; I56-L66 HydrophobicContact CG2-CG 4.43Å; A62-L66 WeakPolarHBondContact O-CB 3.38Å; A62-L66 WeakPolarHBondContact O-CG 3.27Å; A62-L66 PolarHBondContact O-N 3.17Å; I64-L66 VanDerWaalsContact C-N 3.33Å; I64-L66 PolarHBondContact O-N 3.48Å; L66-V70 WeakPolarHBondContact O-CB 3.42Å; L66-V70 VanDerWaalsContact O-CG2 3.3Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 3.2Å
67H95.2Very high92.6Very high3 Ų339.2 Ų39.21%0.01420%0.196CC..Hα-helixtrans-60.8-47.2170.2158.3-87.3000111.7F6 I8 C63 I64 Y69 V70 M71 V98F6-H67 HydrophobicContact CE1-CB 3.79Å; F6-H67 HydrophobicContact CZ-CB 4.28Å; I8-H67 HydrophobicContact CD1-CB 4.11Å; C63-H67 WeakPolarHBondContact O-CB 3.38Å; C63-H67 PolarHBondContact O-N 2.86Å; I64-H67 WeakPolarHBondContact O-CB 3.4Å; I64-H67 PolarHBondContact O-N 3.2Å; I64-H67 VanDerWaalsContact O-N 3.12Å; H67-Y69 VanDerWaalsContact C-N 3.32Å; H67-Y69 PolarHBondContact O-N 3.14Å; H67-V70 PolarHBondContact O-N 3.46Å; H67-V70 VanDerWaalsContact O-N 3.16Å; H67-M71 WeakPolarHBondContact NE2-CG 3.23Å; H67-M71 WeakPolarHBondContact O-CG 3.44Å; H67-M71 PolarHBondContact O-N 3.11Å; H67-V98 WeakPolarHBondContact NE2-CG2 3.46Å
68D95.3Very high91.3Very high39 Ų3942.2 Ų42.221%0.20922%0.217CC..Hα-helixtrans-61.3-42.9179.8-62.7-32.1000111.3I64 Q65 M71 A72 R155I64-D68 VanDerWaalsContact O-CG 3.27Å; I64-D68 PolarHBondContact O-N 3.19Å; Q65-D68 PolarHBondContact O-N 3.19Å; D68-M71 PolarHBondContact O-N 2.86Å; D68-A72 VanDerWaalsContact O-CB 3.24Å; D68-A72 WeakPolarHBondContact O-CB 3.44Å; D68-A72 PolarHBondContact O-N 3.12Å; D68-R155 IonicContact OD1-CZ 4Å; D68-R155 IonicContact OD1-NH1 3.25Å; D68-R155 PolarHBondContact OD1-NH1 2.92Å; D68-R155 IonicContact OD2-CZ 3.29Å; D68-R155 VanDerWaalsContact OD2-CZ 3.29Å; D68-R155 IonicContact OD2-NH1 2.64Å; D68-R155 PolarHBondContact OD2-NH1 3.02Å; D68-R155 IonicContact OD2-NH2 3.66Å; D68-R155 PolarHBondContact OD2-NH2 2.98Å
69Y95.7Very high89.8Confident41 Ų4145.3 Ų45.316%0.16123%0.228CC..Hα-helixtrans-59.5-47.4173.1173-96.7000111.9I18 A25 I29 Q65 H67 A72 K73I18-Y69 HydrophobicContact CG2-CE1 4.13Å; I18-Y69 PolarHBondContact O-OH 3.09Å; I18-Y69 VanDerWaalsContact O-OH 3.08Å; A25-Y69 WeakPolarHBondContact CB-OH 3.35Å; I29-Y69 HydrophobicContact CB-CD1 4.49Å; I29-Y69 HydrophobicContact CB-CE1 4.4Å; I29-Y69 HydrophobicContact CB-CE2 4.42Å; I29-Y69 HydrophobicContact CD1-CD2 4.04Å; I29-Y69 HydrophobicContact CD1-CG 4.23Å; I29-Y69 HydrophobicContact CG1-CD1 4.14Å; I29-Y69 HydrophobicContact CG1-CD2 4.04Å; I29-Y69 HydrophobicContact CG1-CE2 4.44Å; I29-Y69 HydrophobicContact CG1-CG 3.87Å; I29-Y69 HydrophobicContact CG2-CD1 4.09Å; I29-Y69 HydrophobicContact CG2-CE1 3.84Å; Q65-Y69 PolarHBondContact O-N 3.27Å; H67-Y69 VanDerWaalsContact C-N 3.32Å; H67-Y69 PolarHBondContact O-N 3.14Å; Y69-A72 PolarHBondContact O-N 3.15Å; Y69-K73 HydrophobicContact CE1-CG 4.37Å; Y69-K73 VanDerWaalsContact CE2-CE 3.45Å; Y69-K73 HydrophobicContact CE2-CG 4.47Å; Y69-K73 WeakPolarHBondContact O-CG 3.36Å; Y69-K73 PolarHBondContact O-N 2.76Å; Y69-K73 VanDerWaalsContact O-N 3.09Å; Y69-K73 PolarHBondContact OH-NZ 2.83Å
70V94.9Very high88Confident0 Ų047 Ų470%024%0.235CC..Hα-helixtrans-60.6-47.9177.61650000110.9V10 I18 L66 H67 A72 K73 I74V10-V70 HydrophobicContact CG2-CG1 3.94Å; I18-V70 HydrophobicContact CD1-CB 4.4Å; I18-V70 HydrophobicContact CD1-CG1 3.93Å; I18-V70 HydrophobicContact CD1-CG2 4.27Å; I18-V70 HydrophobicContact CG2-CG2 4.22Å; L66-V70 WeakPolarHBondContact O-CB 3.42Å; L66-V70 VanDerWaalsContact O-CG2 3.3Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 3.2Å; H67-V70 PolarHBondContact O-N 3.46Å; H67-V70 VanDerWaalsContact O-N 3.16Å; V70-A72 PolarHBondContact O-N 3.41Å; V70-K73 PolarHBondContact O-N 2.81Å; V70-K73 VanDerWaalsContact O-N 3.14Å; V70-I74 HydrophobicContact CG1-CD1 3.82Å; V70-I74 WeakPolarHBondContact O-CG1 3.46Å; V70-I74 PolarHBondContact O-N 2.96Å
71M93.8Very high86.3Confident3 Ų348 Ų482%0.01524%0.24CC..Hα-helixtrans-64.7-41.1179.1-68.3-57.8143.400112I8 H67 D68 K73 I74 S75 V98I8-M71 HydrophobicContact CG2-CE 3.73Å; H67-M71 WeakPolarHBondContact NE2-CG 3.23Å; H67-M71 WeakPolarHBondContact O-CG 3.44Å; H67-M71 PolarHBondContact O-N 3.11Å; D68-M71 PolarHBondContact O-N 2.86Å; M71-K73 PolarHBondContact O-N 3.5Å; M71-I74 HydrophobicContact CE-CD1 4.01Å; M71-I74 PolarHBondContact O-N 3.16Å; M71-I74 VanDerWaalsContact O-N 3.12Å; M71-I74 HydrophobicContact SD-CD1 3.98Å; M71-S75 PolarHBondContact O-N 2.98Å; M71-S75 PolarHBondContact O-OG 3.08Å; M71-V98 HydrophobicContact CE-CB 4.17Å; M71-V98 HydrophobicContact CE-CG1 3.92Å; M71-V98 HydrophobicContact CE-CG2 3.79Å; M71-V98 HydrophobicContact CG-CG2 4.2Å; M71-V98 HydrophobicContact SD-CG2 3.68Å
72A93Very high84Confident46 Ų4646.1 Ų46.138%0.3824%0.242SC..Hα-helixtrans-62.9-26.7174.500000113.3D68 Y69 V70 K76D68-A72 VanDerWaalsContact O-CB 3.24Å; D68-A72 WeakPolarHBondContact O-CB 3.44Å; D68-A72 PolarHBondContact O-N 3.12Å; Y69-A72 PolarHBondContact O-N 3.15Å; V70-A72 PolarHBondContact O-N 3.41Å; A72-K76 WeakPolarHBondContact O-CD 3.37Å; A72-K76 VanDerWaalsContact O-CG 3.28Å; A72-K76 WeakPolarHBondContact O-CG 3.46Å
73K93.3Very high82Confident50 Ų5048.2 Ų48.222%0.21725%0.252CS..Hα-helixtrans-80.4-34.4171.2-64.4-55.5178.988.20112.9A17 I18 Y69 V70 M71A17-K73 HydrophobicContact CB-CB 4.44Å; A17-K73 HydrophobicContact CB-CD 4.48Å; A17-K73 PolarHBondContact O-NZ 3.42Å; I18-K73 HydrophobicContact CD1-CB 4.31Å; I18-K73 HydrophobicContact CG1-CB 3.53Å; I18-K73 HydrophobicContact CG1-CG 3.86Å; Y69-K73 HydrophobicContact CE1-CG 4.37Å; Y69-K73 VanDerWaalsContact CE2-CE 3.45Å; Y69-K73 HydrophobicContact CE2-CG 4.47Å; Y69-K73 WeakPolarHBondContact O-CG 3.36Å; Y69-K73 PolarHBondContact O-N 2.76Å; Y69-K73 VanDerWaalsContact O-N 3.09Å; Y69-K73 PolarHBondContact OH-NZ 2.83Å; V70-K73 PolarHBondContact O-N 2.81Å; V70-K73 VanDerWaalsContact O-N 3.14Å; M71-K73 PolarHBondContact O-N 3.5Å
74I91.3Very high79.8Confident5 Ų555.3 Ų55.33%0.02629%0.289CS..Hα-helixtrans-65.9-47.6173.8-65.4167000110.2P11 A14 V70 M71 K76 R77 H95P11-I74 HydrophobicContact CG-CG2 4.38Å; A14-I74 HydrophobicContact CB-CB 4.32Å; A14-I74 HydrophobicContact CB-CG1 3.67Å; V70-I74 HydrophobicContact CG1-CD1 3.82Å; V70-I74 WeakPolarHBondContact O-CG1 3.46Å; V70-I74 PolarHBondContact O-N 2.96Å; M71-I74 HydrophobicContact CE-CD1 4.01Å; M71-I74 PolarHBondContact O-N 3.16Å; M71-I74 VanDerWaalsContact O-N 3.12Å; M71-I74 HydrophobicContact SD-CD1 3.98Å; I74-K76 PolarHBondContact O-N 2.94Å; I74-R77 CarbonylContact O-C 3.59Å; I74-R77 VanDerWaalsContact O-C 3.26Å; I74-R77 PolarHBondContact O-N 3.35Å; I74-H95 HydrophobicContact CG2-CB 4.45Å
75S88.1Confident77.6Confident49 Ų4955.4 Ų55.434%0.34329%0.29SS..Hα-helixtrans-63-23.9178.9-57.40000114.4M71 R77M71-S75 PolarHBondContact O-N 2.98Å; M71-S75 PolarHBondContact O-OG 3.08Å; S75-R77 VanDerWaalsContact C-N 3.29Å
76K84.3Confident75.1Confident171 Ų17158.3 Ų58.374%0.74332%0.315SS*.THydrogen-bonded Turntrans-82.6-2.3174.1-72.3176-177.4-176.90113.9A72 I74A72-K76 WeakPolarHBondContact O-CD 3.37Å; A72-K76 VanDerWaalsContact O-CG 3.28Å; A72-K76 WeakPolarHBondContact O-CG 3.46Å; I74-K76 PolarHBondContact O-N 2.94Å
77R76.8Confident72.9Confident123 Ų12363 Ų6346%0.46434%0.344SS..SBendtrans-137.767.4174-69.7-172.5173.2-176.3-3.3109.7V13 I74 S75 Q79V13-R77 WeakPolarHBondContact O-CD 3.49Å; V13-R77 PolarHBondContact O-NH1 3.14Å; I74-R77 CarbonylContact O-C 3.59Å; I74-R77 VanDerWaalsContact O-C 3.26Å; I74-R77 PolarHBondContact O-N 3.35Å; S75-R77 VanDerWaalsContact C-N 3.29Å; R77-Q79 PolarHBondContact O-N 2.94Å; R77-Q79 VanDerWaalsContact O-N 3.08Å
78P66Low70.4Confident78 Ų7864.6 Ų64.651%0.50636%0.362SS..  trans-59.9115.6-179.926.7-34.9000109.9H95P78-H95 WeakPolarHBondContact CB-ND1 3.19Å
79Q62.1Low68Low75 Ų7567.3 Ų67.335%0.3538%0.379SS..  trans-103.8102.7171.8-155.2176.210.400107.5V13 R77 I81V13-Q79 HydrophobicContact CG2-CB 4.05Å; V13-Q79 HydrophobicContact CG2-CG 4.2Å; V13-Q79 VanDerWaalsContact CG2-OE1 3.25Å; R77-Q79 PolarHBondContact O-N 2.94Å; R77-Q79 VanDerWaalsContact O-N 3.08Å; Q79-I81 PolarHBondContact O-N 3.29Å
80N55.6Low65.5Low88 Ų8868.5 Ų68.547%0.47139%0.388SS..EExtended strand (participates in β ladder)trans-75.4105.6173-73.17.4000107.7A82N80-A82 PolarHBondContact O-N 3.3Å
81I56.3Low63.2Low45 Ų4571.9 Ų71.923%0.23141%0.411CS..EExtended strand (participates in β ladder)trans-79.8109169.1-56.6-174.8000106.2Q79 I83 M92 R94 F190Q79-I81 PolarHBondContact O-N 3.29Å; I81-I83 VanDerWaalsContact C-N 3.34Å; I81-I83 HydrophobicContact CB-CG1 4.33Å; I81-I83 HydrophobicContact CG2-CD1 4.45Å; I81-I83 HydrophobicContact CG2-CG1 3.68Å; I81-I83 PolarHBondContact O-N 3.12Å; I81-M92 PolarHBondContact O-N 3.14Å; I81-R94 HydrophobicContact CD1-CG 3.53Å; I81-R94 HydrophobicContact CG1-CG 3.82Å; I81-F190 HydrophobicContact CD1-CE1 4.47Å; I81-F190 HydrophobicContact CD1-CZ 4.39Å
82A46.3Very low61.3Low63 Ų6374.4 Ų74.452%0.52142%0.424SS..EExtended strand (participates in β ladder)trans-71.388.9169.900000108.9N80 I84 V89N80-A82 PolarHBondContact O-N 3.3Å; A82-I84 PolarHBondContact O-N 3.03Å; A82-V89 HydrophobicContact CB-CG1 3.71Å
83I52.5Low60.2Low47 Ų4775.4 Ų75.424%0.24142%0.42CS..EExtended strand (participates in β ladder)trans-82.2114.7177.6-56.2-178.6000107.9I81 T85 V89 N90 M92I81-I83 VanDerWaalsContact C-N 3.34Å; I81-I83 HydrophobicContact CB-CG1 4.33Å; I81-I83 HydrophobicContact CG2-CD1 4.45Å; I81-I83 HydrophobicContact CG2-CG1 3.68Å; I81-I83 PolarHBondContact O-N 3.12Å; I83-T85 VanDerWaalsContact C-N 3.31Å; I83-T85 HydrophobicContact CG2-CG2 4.2Å; I83-T85 PolarHBondContact O-N 3.34Å; I83-V89 CarbonylContact O-C 3.57Å; I83-V89 WeakPolarHBondContact O-CA 3.48Å; I83-N90 PolarHBondContact N-O 3Å; I83-N90 PolarHBondContact O-N 3.08Å; I83-M92 HydrophobicContact CD1-CB 3.95Å; I83-M92 HydrophobicContact CD1-CG 4.05Å
84I49.5Very low59.6Low150 Ų15073.1 Ų73.177%0.76941%0.411SS*.EExtended strand (participates in β ladder)trans-73.789.4170.6-53.8177.2000108A82A82-I84 PolarHBondContact O-N 3.03Å
85T48.8Very low59.2Low11 Ų1174.6 Ų74.67%0.06742%0.417CS..EExtended strand (participates in β ladder)trans-82.2154.616629.60000110.2I83 T87 G88 N90 I192I83-T85 VanDerWaalsContact C-N 3.31Å; I83-T85 HydrophobicContact CG2-CG2 4.2Å; I83-T85 PolarHBondContact O-N 3.34Å; T85-T87 PolarHBondContact O-N 2.91Å; T85-T87 VanDerWaalsContact O-N 3.08Å; T85-G88 CarbonylContact C-O 3.56Å; T85-G88 WeakPolarHBondContact CA-O 3.46Å; T85-G88 PolarHBondContact N-O 3.46Å; T85-G88 CarbonylContact O-C 3.58Å; T85-G88 PolarHBondContact O-N 3.16Å; T85-G88 PolarHBondContact OG1-O 3.37Å; T85-N90 PolarHBondContact OG1-ND2 2.83Å; T85-I192 HydrophobicContact CG2-CG2 3.76Å
86P42.4Very low59.2Low137 Ų13775.5 Ų75.589%0.8942%0.415SS*.THydrogen-bonded Turntrans-63.3-14.4177.626.2-35000113.6
87T49.6Very low59.5Low99 Ų9968.2 Ų68.261%0.60738%0.383SS*.THydrogen-bonded Turntrans-93.94.917447.80000114.1T85T85-T87 PolarHBondContact O-N 2.91Å; T85-T87 VanDerWaalsContact O-N 3.08Å
88G42.3Very low60.3Low37 Ų3762.3 Ų62.338%0.38136%0.361SS..EExtended strand (participates in β ladder)trans126.5-179.2-179.500000113.5T85 N90T85-G88 CarbonylContact C-O 3.56Å; T85-G88 WeakPolarHBondContact CA-O 3.46Å; T85-G88 PolarHBondContact N-O 3.46Å; T85-G88 CarbonylContact O-C 3.58Å; T85-G88 PolarHBondContact O-N 3.16Å; T85-G88 PolarHBondContact OG1-O 3.37Å; G88-N90 PolarHBondContact O-N 3.19Å
89V45Very low61.7Low96 Ų9658.7 Ų58.758%0.58234%0.337SS*.EExtended strand (participates in β ladder)trans-83.696.7179.8-173.10000110A82 I83 C91A82-V89 HydrophobicContact CB-CG1 3.71Å; I83-V89 CarbonylContact O-C 3.57Å; I83-V89 WeakPolarHBondContact O-CA 3.48Å; V89-C91 PolarHBondContact O-N 2.87Å
90N44.6Very low63.2Low66 Ų6655.1 Ų55.135%0.35332%0.321SS..EExtended strand (participates in β ladder)trans-77.2105.8174.2-95.4-67.9000110.2I83 T85 G88 M92I83-N90 PolarHBondContact N-O 3Å; I83-N90 PolarHBondContact O-N 3.08Å; T85-N90 PolarHBondContact OG1-ND2 2.83Å; G88-N90 PolarHBondContact O-N 3.19Å; N90-M92 HydrophobicContact CB-CG 4.49Å; N90-M92 PolarHBondContact O-N 3.23Å
91C47Very low65Low71 Ų7151.2 Ų51.248%0.4830%0.3SS..EExtended strand (participates in β ladder)trans-71.778.2164.7-88.90000110.1V89 E93V89-C91 PolarHBondContact O-N 2.87Å; C91-E93 PolarHBondContact O-N 3.27Å
92M53.7Low66.6Low56 Ų5649.1 Ų49.128%0.27629%0.289SS..EExtended strand (participates in β ladder)trans-69.9102.9172.3-82.3-77.2156.200109.4I81 I83 N90 R94 Q97 I192I81-M92 PolarHBondContact O-N 3.14Å; I83-M92 HydrophobicContact CD1-CB 3.95Å; I83-M92 HydrophobicContact CD1-CG 4.05Å; N90-M92 HydrophobicContact CB-CG 4.49Å; N90-M92 PolarHBondContact O-N 3.23Å; M92-R94 PolarHBondContact O-N 3.2Å; M92-Q97 PolarHBondContact SD-NE2 2.97Å; M92-Q97 VanDerWaalsContact SD-NE2 3.44Å; M92-I192 HydrophobicContact CE-CD1 4.36Å
93E68.2Low68.7Low66 Ų6646.6 Ų46.631%0.30827%0.267SS..EExtended strand (participates in β ladder)trans-63.891.9177.2-69.9-172.3130.300110.6C91 H95 K96C91-E93 PolarHBondContact O-N 3.27Å; E93-H95 PolarHBondContact O-N 3.09Å; E93-H95 IonicContact OE1-CE1 3.84Å; E93-H95 PolarHBondContact OE1-CE1 3.23Å; E93-H95 IonicContact OE1-NE2 2.7Å; E93-H95 IonicContact OE2-CE1 3.96Å; E93-H95 IonicContact OE2-NE2 3.3Å; E93-K96 PolarHBondContact O-N 3.26Å; E93-K96 WeakPolarHBondContact OE2-CD 3.44Å; E93-K96 VanDerWaalsContact OE2-CE 3.29Å; E93-K96 WeakPolarHBondContact OE2-CE 3.31Å; E93-K96 IonicContact OE2-NZ 3.32Å; E93-K96 PolarHBondContact OE2-NZ 2.76Å
94R81.5Confident70.3Confident3 Ų346 Ų461%0.01127%0.265CS..G310 helixtrans-53.3-21.9177.8-77.3-65.6-60.5108.910.5113.3E51 I81 M92 K96 Q97E51-R94 IonicContact OE1-CZ 3.96Å; E51-R94 IonicContact OE1-NE 3.62Å; E51-R94 PolarHBondContact OE1-NE 3.23Å; E51-R94 IonicContact OE1-NH2 3.89Å; E51-R94 PolarHBondContact OE1-NH2 3.26Å; E51-R94 IonicContact OE2-CZ 3.93Å; E51-R94 IonicContact OE2-NE 3.14Å; E51-R94 IonicContact OE2-NH2 2.83Å; I81-R94 HydrophobicContact CD1-CG 3.53Å; I81-R94 HydrophobicContact CG1-CG 3.82Å; M92-R94 PolarHBondContact O-N 3.2Å; R94-K96 VanDerWaalsContact C-N 3.31Å; R94-K96 PolarHBondContact O-N 3.44Å; R94-Q97 PolarHBondContact NH1-O 2.64Å; R94-Q97 PolarHBondContact O-N 3.12Å
95H82.3Confident72.1Confident35 Ų3541.6 Ų41.616%0.16225%0.247CC..G310 helixtrans-73.3-17.1177.172.6-103.5000114.8I74 P78 E93 R154I74-H95 HydrophobicContact CG2-CB 4.45Å; P78-H95 WeakPolarHBondContact CB-ND1 3.19Å; E93-H95 PolarHBondContact O-N 3.09Å; E93-H95 IonicContact OE1-CE1 3.84Å; E93-H95 PolarHBondContact OE1-CE1 3.23Å; E93-H95 IonicContact OE1-NE2 2.7Å; E93-H95 IonicContact OE2-CE1 3.96Å; E93-H95 IonicContact OE2-NE2 3.3Å; H95-R154 PolarHBondContact O-NH2 2.93Å
96K88Confident74.1Confident69 Ų6941.1 Ų41.130%0.324%0.244SC..G310 helixtrans-97.117.1171.2-68.8179.9179.6154.90113E93 R94 T148 G149 R154E93-K96 PolarHBondContact O-N 3.26Å; E93-K96 WeakPolarHBondContact OE2-CD 3.44Å; E93-K96 VanDerWaalsContact OE2-CE 3.29Å; E93-K96 WeakPolarHBondContact OE2-CE 3.31Å; E93-K96 IonicContact OE2-NZ 3.32Å; E93-K96 PolarHBondContact OE2-NZ 2.76Å; R94-K96 VanDerWaalsContact C-N 3.31Å; R94-K96 PolarHBondContact O-N 3.44Å; K96-T148 WeakPolarHBondContact O-CA 3.49Å; K96-G149 PolarHBondContact O-N 3.04Å; K96-R154 VanDerWaalsContact O-CD 3.29Å; K96-R154 WeakPolarHBondContact O-CD 3.4Å; K96-R154 PolarHBondContact O-NE 3.49Å
97Q91.2Very high76.5Confident17 Ų1734.6 Ų34.68%0.07920%0.202CC..EExtended strand (participates in β ladder)trans-137.1110.9-172.5-74.2-177.2-7.400113.2M92 R94 I147 T148M92-Q97 PolarHBondContact SD-NE2 2.97Å; M92-Q97 VanDerWaalsContact SD-NE2 3.44Å; R94-Q97 PolarHBondContact NH1-O 2.64Å; R94-Q97 PolarHBondContact O-N 3.12Å; Q97-I147 CarbonylContact C-O 3.58Å; Q97-I147 VanDerWaalsContact CA-O 3.31Å; Q97-I147 WeakPolarHBondContact CA-O 3.49Å; Q97-T148 HydrophobicContact CG-CG2 3.85Å
98V94Very high78.4Confident0 Ų031.3 Ų31.30%019%0.188CC..EExtended strand (participates in β ladder)trans-79.3144.1165.8178.90000108.9H67 M71 I100 I147 R154 V158H67-V98 WeakPolarHBondContact NE2-CG2 3.46Å; M71-V98 HydrophobicContact CE-CB 4.17Å; M71-V98 HydrophobicContact CE-CG1 3.92Å; M71-V98 HydrophobicContact CE-CG2 3.79Å; M71-V98 HydrophobicContact CG-CG2 4.2Å; M71-V98 HydrophobicContact SD-CG2 3.68Å; V98-I100 HydrophobicContact CG1-CD1 4.48Å; V98-I100 HydrophobicContact CG1-CG1 3.9Å; V98-I147 HydrophobicContact CB-CB 4.23Å; V98-I147 HydrophobicContact CG1-CD1 4.47Å; V98-I147 PolarHBondContact N-O 3.36Å; V98-I147 PolarHBondContact O-N 2.81Å; V98-R154 HydrophobicContact CG2-CB 4.15Å; V98-V158 HydrophobicContact CB-CG2 4.39Å; V98-V158 HydrophobicContact CG1-CG2 3.92Å; V98-V158 HydrophobicContact CG2-CG2 4.22Å
99K94.4Very high80.8Confident1 Ų132.7 Ų32.70%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-130.4120.5170.3-74-166.7-175.7179.20109.9I8 L9 E51 I145 V146 A189 F190I8-K99 CarbonylContact C-O 3.55Å; I8-K99 VanDerWaalsContact CA-O 3.32Å; I8-K99 WeakPolarHBondContact CA-O 3.45Å; I8-K99 WeakPolarHBondContact CG2-O 3.17Å; L9-K99 HydrophobicContact CB-CB 3.86Å; L9-K99 HydrophobicContact CB-CD 4.35Å; L9-K99 HydrophobicContact CD1-CB 4.28Å; L9-K99 HydrophobicContact CD1-CD 3.94Å; L9-K99 HydrophobicContact CG-CB 4.24Å; L9-K99 PolarHBondContact N-O 3.2Å; E51-K99 WeakPolarHBondContact OE2-CD 3.37Å; E51-K99 WeakPolarHBondContact OE2-CE 3.49Å; E51-K99 IonicContact OE2-NZ 2.57Å; E51-K99 PolarHBondContact OE2-NZ 3.22Å; K99-I145 CarbonylContact C-O 3.53Å; K99-I145 VanDerWaalsContact CA-O 3.32Å; K99-I145 WeakPolarHBondContact CA-O 3.08Å; K99-V146 HydrophobicContact CG-CG1 4.27Å; K99-V146 HydrophobicContact CG-CG2 4.22Å; K99-A189 WeakPolarHBondContact CE-O 3.47Å; K99-A189 PolarHBondContact NZ-O 2.77Å; K99-A189 VanDerWaalsContact NZ-O 3.1Å; K99-F190 VanDerWaalsContact NZ-CE2 3.33Å
100I94.5Very high83.2Confident0 Ų028.2 Ų28.20%016%0.159CC..EExtended strand (participates in β ladder)trans-110.3136.4-178.7-51.9179.9000108.8F6 K7 V98 V102 C144 I145 I147 V158 I161F6-I100 HydrophobicContact CD2-CG2 4.13Å; F6-I100 HydrophobicContact CE2-CB 4.49Å; F6-I100 HydrophobicContact CE2-CD1 4.02Å; F6-I100 HydrophobicContact CE2-CG1 4.02Å; F6-I100 HydrophobicContact CE2-CG2 3.83Å; K7-I100 WeakPolarHBondContact O-CA 3.27Å; K7-I100 WeakPolarHBondContact O-CG2 3.49Å; V98-I100 HydrophobicContact CG1-CD1 4.48Å; V98-I100 HydrophobicContact CG1-CG1 3.9Å; I100-V102 HydrophobicContact CG2-CG1 3.88Å; I100-C144 CarbonylContact O-C 3.57Å; I100-C144 WeakPolarHBondContact O-CA 3.36Å; I100-I145 HydrophobicContact CB-CB 4.46Å; I100-I145 PolarHBondContact N-O 3.1Å; I100-I145 PolarHBondContact O-N 3.24Å; I100-I147 HydrophobicContact CD1-CD1 3.83Å; I100-I147 HydrophobicContact CG1-CD1 4.44Å; I100-V158 HydrophobicContact CD1-CG2 4.25Å; I100-I161 HydrophobicContact CD1-CD1 4.41Å; I100-I161 HydrophobicContact CD1-CG2 3.95Å
101L92.1Very high85.5Confident6 Ų627.2 Ų27.23%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-95.4130.2164.6-54.4176.4000109.3K7 L9 Y46 V53 R143 C144K7-L101 HydrophobicContact CB-CB 3.76Å; K7-L101 HydrophobicContact CB-CD1 4.37Å; K7-L101 HydrophobicContact CB-CG 4.35Å; K7-L101 HydrophobicContact CD-CB 4.12Å; K7-L101 HydrophobicContact CD-CD1 4.16Å; K7-L101 PolarHBondContact O-N 3.21Å; L9-L101 HydrophobicContact CD1-CD2 4.17Å; L9-L101 HydrophobicContact CD2-CD1 3.85Å; L9-L101 HydrophobicContact CD2-CD2 4.1Å; L9-L101 HydrophobicContact CD2-CG 3.98Å; L9-L101 HydrophobicContact CG-CD2 4.1Å; L9-L101 HydrophobicContact CG-CG 4.22Å; Y46-L101 HydrophobicContact CD1-CD2 4.36Å; Y46-L101 HydrophobicContact CD2-CD1 3.42Å; Y46-L101 VanDerWaalsContact CD2-CD1 3.42Å; Y46-L101 HydrophobicContact CD2-CD2 3.9Å; Y46-L101 HydrophobicContact CD2-CG 4.3Å; Y46-L101 HydrophobicContact CE1-CD2 4.05Å; Y46-L101 HydrophobicContact CE2-CD1 3.54Å; Y46-L101 HydrophobicContact CE2-CD2 3.54Å; Y46-L101 HydrophobicContact CE2-CG 4.17Å; Y46-L101 HydrophobicContact CG-CD1 4.26Å; Y46-L101 HydrophobicContact CG-CD2 4.28Å; V53-L101 HydrophobicContact CG1-CD1 4.05Å; V53-L101 HydrophobicContact CG2-CD1 4.1Å; L101-R143 WeakPolarHBondContact CA-O 3.42Å; L101-C144 HydrophobicContact CD2-CB 4.08Å
102V91.5Very high87.6Confident2 Ų225 Ų251%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-129.7147.6176.7-70.70000110.9I100 A107 I110 E142 R143 I145 I165I100-V102 HydrophobicContact CG2-CG1 3.88Å; V102-A107 HydrophobicContact CG2-CB 3.78Å; V102-I110 HydrophobicContact CB-CD1 4.38Å; V102-I110 HydrophobicContact CG1-CD1 3.85Å; V102-I110 HydrophobicContact CG2-CD1 4.39Å; V102-E142 CarbonylContact O-C 3.59Å; V102-E142 VanDerWaalsContact O-CA 3.25Å; V102-E142 WeakPolarHBondContact O-CA 3.33Å; V102-R143 HydrophobicContact CG2-CB 4.49Å; V102-R143 PolarHBondContact N-O 2.86Å; V102-R143 PolarHBondContact O-N 3.16Å; V102-I145 HydrophobicContact CG1-CD1 4.3Å; V102-I145 HydrophobicContact CG2-CD1 3.75Å; V102-I145 HydrophobicContact CG2-CG1 3.9Å; V102-I165 HydrophobicContact CG1-CD1 3.82Å; V102-I165 HydrophobicContact CG1-CG1 4.32Å
103P89.5Confident89.4Confident9 Ų931 Ų316%0.05817%0.166CC..EExtended strand (participates in β ladder)trans-58.9151.9170.8-25.637.2000112.1S105 T106 A107 F141 Y174P103-S105 PolarHBondContact O-N 3.17Å; P103-T106 PolarHBondContact O-N 3.2Å; P103-T106 VanDerWaalsContact O-N 3.14Å; P103-A107 WeakPolarHBondContact O-CB 3.49Å; P103-A107 PolarHBondContact O-N 3.25Å; P103-F141 CarbonylContact C-O 3.58Å; P103-F141 WeakPolarHBondContact CA-O 3.32Å; P103-Y174 HydrophobicContact CB-CD2 3.78Å; P103-Y174 HydrophobicContact CB-CE2 4.04Å; P103-Y174 HydrophobicContact CG-CD2 3.74Å; P103-Y174 HydrophobicContact CG-CE2 4.47Å
104D87Confident90.5Very high36 Ų3637.9 Ų37.919%0.19320%0.195CC..Hα-helixtrans-68-23.1-172-147.2-4.3000113.6G108 R134 F141 R143D104-G108 PolarHBondContact O-N 3.21Å; D104-R134 PolarHBondContact O-NH2 2.91Å; D104-R134 VanDerWaalsContact O-NH2 3.08Å; D104-R134 IonicContact OD1-CZ 3.18Å; D104-R134 IonicContact OD1-NE 2.81Å; D104-R134 PolarHBondContact OD1-NE 3.26Å; D104-R134 IonicContact OD1-NH2 2.72Å; D104-R134 PolarHBondContact OD1-NH2 3.11Å; D104-R134 WeakPolarHBondContact OD2-CD 3.11Å; D104-R134 VanDerWaalsContact OD2-CG 3.31Å; D104-R134 WeakPolarHBondContact OD2-CG 3.32Å; D104-R134 IonicContact OD2-CZ 3.7Å; D104-R134 IonicContact OD2-NE 2.83Å; D104-R134 PolarHBondContact OD2-NE 3.14Å; D104-R134 IonicContact OD2-NH2 3.79Å; D104-F141 PolarHBondContact N-O 3.43Å; D104-R143 VanDerWaalsContact OD1-CD 3.24Å; D104-R143 WeakPolarHBondContact OD1-CD 3.45Å; D104-R143 IonicContact OD1-CZ 3.88Å; D104-R143 IonicContact OD1-NE 2.68Å; D104-R143 PolarHBondContact OD1-NE 2.88Å
105S87.6Confident91Very high57 Ų5738.2 Ų38.240%0.39920%0.2SC..Hα-helixtrans-67.6-56.8167.548.70000111.3P103 A107 G108 I109P103-S105 PolarHBondContact O-N 3.17Å; S105-A107 VanDerWaalsContact C-N 3.26Å; S105-A107 PolarHBondContact O-N 3.23Å; S105-G108 WeakPolarHBondContact O-CA 3.35Å; S105-G108 PolarHBondContact O-N 3.06Å; S105-I109 PolarHBondContact O-N 3.17Å
106T90.7Very high91.6Very high0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-59.6-36.7178.5-41.30000111.7P103 G108 I109 I110 I165 S171P103-T106 PolarHBondContact O-N 3.2Å; P103-T106 VanDerWaalsContact O-N 3.14Å; T106-G108 VanDerWaalsContact C-N 3.32Å; T106-G108 PolarHBondContact O-N 3.48Å; T106-I109 PolarHBondContact O-N 3.18Å; T106-I109 VanDerWaalsContact O-N 3.09Å; T106-I110 HydrophobicContact CG2-CD1 4.03Å; T106-I110 WeakPolarHBondContact O-CG1 3.4Å; T106-I110 PolarHBondContact O-N 3.4Å; T106-I165 HydrophobicContact CG2-CB 4.35Å; T106-I165 HydrophobicContact CG2-CG1 3.79Å; T106-S171 VanDerWaalsContact CG2-OG 3.29Å; T106-S171 WeakPolarHBondContact CG2-OG 3.27Å; T106-S171 PolarHBondContact OG1-OG 2.94Å
107A91.1Very high91.9Very high0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-59.8-40.1172.900000112.6V102 P103 S105 I109 I110 I111 R143V102-A107 HydrophobicContact CG2-CB 3.78Å; P103-A107 WeakPolarHBondContact O-CB 3.49Å; P103-A107 PolarHBondContact O-N 3.25Å; S105-A107 VanDerWaalsContact C-N 3.26Å; S105-A107 PolarHBondContact O-N 3.23Å; A107-I109 VanDerWaalsContact C-N 3.27Å; A107-I109 PolarHBondContact O-N 3.21Å; A107-I110 PolarHBondContact O-N 2.95Å; A107-I111 VanDerWaalsContact O-CG1 3.31Å; A107-I111 WeakPolarHBondContact O-CG1 3.13Å; A107-I111 PolarHBondContact O-N 3.08Å; A107-R143 HydrophobicContact CB-CB 4.1Å; A107-R143 HydrophobicContact CB-CG 4.34Å
108G91.3Very high92.1Very high31 Ų3139.1 Ų39.132%0.3221%0.208SC..Hα-helixtrans-63.6-32.5174.100000113D104 S105 T106 G112D104-G108 PolarHBondContact O-N 3.21Å; S105-G108 WeakPolarHBondContact O-CA 3.35Å; S105-G108 PolarHBondContact O-N 3.06Å; T106-G108 VanDerWaalsContact C-N 3.32Å; T106-G108 PolarHBondContact O-N 3.48Å; G108-G112 PolarHBondContact O-N 2.89Å
109I92.3Very high92.2Very high66 Ų6644.4 Ų44.434%0.33823%0.233SC..Hα-helixtrans-83.7-30.4-179.3-59.6171.6000111.6S105 T106 A107 G112 K164 N168S105-I109 PolarHBondContact O-N 3.17Å; T106-I109 PolarHBondContact O-N 3.18Å; T106-I109 VanDerWaalsContact O-N 3.09Å; A107-I109 VanDerWaalsContact C-N 3.27Å; A107-I109 PolarHBondContact O-N 3.21Å; I109-G112 PolarHBondContact O-N 3.49Å; I109-K164 HydrophobicContact CG2-CG 4.09Å; I109-N168 WeakPolarHBondContact CD1-OD1 3.36Å
110I93.9Very high92.3Very high1 Ų149.5 Ų49.51%0.00525%0.252CS..Hα-helixtrans-70.3-32.6170.6-65.9160.2000111.5V102 T106 A107 F117 I118 I121 I145 I161 K164 I165V102-I110 HydrophobicContact CB-CD1 4.38Å; V102-I110 HydrophobicContact CG1-CD1 3.85Å; V102-I110 HydrophobicContact CG2-CD1 4.39Å; T106-I110 HydrophobicContact CG2-CD1 4.03Å; T106-I110 WeakPolarHBondContact O-CG1 3.4Å; T106-I110 PolarHBondContact O-N 3.4Å; A107-I110 PolarHBondContact O-N 2.95Å; I110-F117 WeakPolarHBondContact O-CD1 3.34Å; I110-I118 PolarHBondContact O-N 2.89Å; I110-I121 HydrophobicContact CG2-CD1 4.2Å; I110-I145 HydrophobicContact CB-CD1 4.29Å; I110-I145 HydrophobicContact CD1-CD1 3.78Å; I110-I145 HydrophobicContact CG2-CD1 3.75Å; I110-I161 HydrophobicContact CD1-CG2 3.95Å; I110-I161 HydrophobicContact CG2-CG1 4.1Å; I110-K164 HydrophobicContact CG1-CB 4.44Å; I110-I165 HydrophobicContact CD1-CD1 4.5Å; I110-I165 HydrophobicContact CD1-CG1 4.1Å
111I93.4Very high92.4Very high46 Ų4649.6 Ų49.624%0.23625%0.252CS..Hα-helixtrans-69.4-46.6167.1-65.9163.9000109.6A107 G115 F117 I118 V131A107-I111 VanDerWaalsContact O-CG1 3.31Å; A107-I111 WeakPolarHBondContact O-CG1 3.13Å; A107-I111 PolarHBondContact O-N 3.08Å; I111-G115 CarbonylContact O-C 3.26Å; I111-G115 VanDerWaalsContact O-CA 3.27Å; I111-G115 WeakPolarHBondContact O-CA 3.34Å; I111-F117 PolarHBondContact O-N 2.89Å; I111-I118 HydrophobicContact CB-CG2 4.43Å; I111-I118 HydrophobicContact CG2-CG2 4.19Å; I111-I118 PolarHBondContact O-N 2.99Å; I111-V131 HydrophobicContact CD1-CG1 4.38Å; I111-V131 HydrophobicContact CG1-CG2 4.29Å
112G91.5Very high92.5Very high23 Ų2353.2 Ų53.224%0.23727%0.268CS..  trans77175.8-17800000113.1G108 I109 F114 G115G108-G112 PolarHBondContact O-N 2.89Å; I109-G112 PolarHBondContact O-N 3.49Å; G112-F114 PolarHBondContact O-N 2.91Å; G112-G115 PolarHBondContact O-N 3.31Å
113K92Very high92.8Very high183 Ų18360.1 Ų60.180%0.79630%0.3SS*.G310 helixtrans-62126.5176.8-64.9-178.9-178.4178.10109.2G115 N116K113-G115 PolarHBondContact O-N 2.81Å; K113-N116 WeakPolarHBondContact O-CB 3.47Å; K113-N116 PolarHBondContact O-N 2.99Å; K113-N116 VanDerWaalsContact O-N 3.15Å
114F90.5Very high93.1Very high210 Ų21064.7 Ų64.792%0.92132%0.32SS*.G310 helixtrans56.711.1-177.4-53.5-77.3000116.6G112G112-F114 PolarHBondContact O-N 2.91Å
115G91.4Very high93.6Very high10 Ų1063.1 Ų63.110%0.10331%0.313CS..G310 helixtrans92.2-3.2-175.400000115.1I111 G112 K113 F117 I118 E119I111-G115 CarbonylContact O-C 3.26Å; I111-G115 VanDerWaalsContact O-CA 3.27Å; I111-G115 WeakPolarHBondContact O-CA 3.34Å; G112-G115 PolarHBondContact O-N 3.31Å; K113-G115 PolarHBondContact O-N 2.81Å; G115-F117 PolarHBondContact O-N 2.84Å; G115-I118 WeakPolarHBondContact O-CG2 3.44Å; G115-I118 PolarHBondContact O-N 3.19Å; G115-I118 VanDerWaalsContact O-N 3.12Å; G115-E119 WeakPolarHBondContact O-CG 3.29Å; G115-E119 PolarHBondContact O-N 3.09Å
116N95Very high94Very high86 Ų8666.7 Ų66.746%0.4633%0.327SS..Hα-helixtrans-55.4-31.8-171.4-176-95.7000114.6K113 R120K113-N116 WeakPolarHBondContact O-CB 3.47Å; K113-N116 PolarHBondContact O-N 2.99Å; K113-N116 VanDerWaalsContact O-N 3.15Å; N116-R120 WeakPolarHBondContact O-CB 3.04Å; N116-R120 PolarHBondContact O-N 2.89Å; N116-R120 VanDerWaalsContact O-N 3.14Å; N116-R120 PolarHBondContact OD1-NH2 2.88Å
117F95.5Very high94.2Very high35 Ų3566.8 Ų66.815%0.15433%0.328CS..Hα-helixtrans-82.3-39.2-179.5-169.6-116.4000112.2I110 I111 G115 E119 R120 I121 K164I110-F117 WeakPolarHBondContact O-CD1 3.34Å; I111-F117 PolarHBondContact O-N 2.89Å; G115-F117 PolarHBondContact O-N 2.84Å; F117-E119 VanDerWaalsContact C-N 3.33Å; F117-R120 PolarHBondContact O-N 2.93Å; F117-I121 HydrophobicContact CD1-CD1 3.81Å; F117-I121 HydrophobicContact CD1-CG1 4.41Å; F117-I121 HydrophobicContact CE1-CD1 3.57Å; F117-I121 HydrophobicContact CE1-CG1 4.11Å; F117-I121 HydrophobicContact CE2-CG1 4.42Å; F117-I121 HydrophobicContact CG-CD1 4.47Å; F117-I121 HydrophobicContact CZ-CD1 4.07Å; F117-I121 HydrophobicContact CZ-CG1 4.1Å; F117-I121 VanDerWaalsContact O-CG1 3.25Å; F117-I121 WeakPolarHBondContact O-CG1 3.03Å; F117-I121 PolarHBondContact O-N 3.19Å; F117-K164 HydrophobicContact CD1-CD 4.32Å; F117-K164 HydrophobicContact CD1-CG 4.13Å; F117-K164 HydrophobicContact CE1-CB 3.65Å; F117-K164 HydrophobicContact CE1-CD 3.68Å; F117-K164 HydrophobicContact CE1-CG 3.49Å; F117-K164 VanDerWaalsContact CE1-CG 3.49Å; F117-K164 HydrophobicContact CE2-CD 4.36Å; F117-K164 HydrophobicContact CZ-CB 4.05Å; F117-K164 HydrophobicContact CZ-CD 3.72Å; F117-K164 HydrophobicContact CZ-CG 4.02Å
118I95.7Very high94.4Very high19 Ų1972.5 Ų72.510%0.09735%0.353CS..Hα-helixtrans-68.1-33.2173-177.2166.9000112.2I110 I111 G115 K122 I129 V131I110-I118 PolarHBondContact O-N 2.89Å; I111-I118 HydrophobicContact CB-CG2 4.43Å; I111-I118 HydrophobicContact CG2-CG2 4.19Å; I111-I118 PolarHBondContact O-N 2.99Å; G115-I118 WeakPolarHBondContact O-CG2 3.44Å; G115-I118 PolarHBondContact O-N 3.19Å; G115-I118 VanDerWaalsContact O-N 3.12Å; I118-K122 WeakPolarHBondContact O-CG 3.39Å; I118-K122 PolarHBondContact O-N 2.92Å; I118-K122 VanDerWaalsContact O-N 3.15Å; I118-I129 HydrophobicContact CD1-CG2 3.91Å; I118-I129 HydrophobicContact CG1-CG2 4.13Å; I118-V131 HydrophobicContact CD1-CG2 3.57Å
119E95.6Very high94.5Very high111 Ų11171.1 Ų71.152%0.51934%0.338SS..Hα-helixtrans-62.1-49.6171.4-72.6165.9166.300110.7G115 F117 I121 K122 E123G115-E119 WeakPolarHBondContact O-CG 3.29Å; G115-E119 PolarHBondContact O-N 3.09Å; F117-E119 VanDerWaalsContact C-N 3.33Å; E119-I121 PolarHBondContact O-N 3.36Å; E119-K122 WeakPolarHBondContact O-CB 3.32Å; E119-K122 PolarHBondContact O-N 3.15Å; E119-K122 VanDerWaalsContact O-N 3.11Å; E119-E123 PolarHBondContact O-N 3.29Å
120R96.2Very high94.5Very high109 Ų10970.7 Ų70.741%0.41134%0.335SS..Hα-helixtrans-61.5-39.8176.8-165.3-171.9-47.1-171.22.5113.8N116 F117 K122 E123 E124N116-R120 WeakPolarHBondContact O-CB 3.04Å; N116-R120 PolarHBondContact O-N 2.89Å; N116-R120 VanDerWaalsContact O-N 3.14Å; N116-R120 PolarHBondContact OD1-NH2 2.88Å; F117-R120 PolarHBondContact O-N 2.93Å; R120-K122 VanDerWaalsContact C-N 3.31Å; R120-K122 PolarHBondContact O-N 3.05Å; R120-E123 PolarHBondContact O-N 3.28Å; R120-E124 WeakPolarHBondContact CD-OE1 3.37Å; R120-E124 HydrophobicContact CG-CG 4.2Å; R120-E124 WeakPolarHBondContact CG-OE1 3.23Å; R120-E124 WeakPolarHBondContact O-CB 3.43Å; R120-E124 PolarHBondContact O-N 3.4Å
121I96.5Very high94.4Very high1 Ų172 Ų721%0.00534%0.343CS..Hα-helixtrans-63.7-39.8175.5-55.7155.3000110I110 F117 E119 E123 S125 I129 A157 M160 I161I110-I121 HydrophobicContact CG2-CD1 4.2Å; F117-I121 HydrophobicContact CD1-CD1 3.81Å; F117-I121 HydrophobicContact CD1-CG1 4.41Å; F117-I121 HydrophobicContact CE1-CD1 3.57Å; F117-I121 HydrophobicContact CE1-CG1 4.11Å; F117-I121 HydrophobicContact CE2-CG1 4.42Å; F117-I121 HydrophobicContact CG-CD1 4.47Å; F117-I121 HydrophobicContact CZ-CD1 4.07Å; F117-I121 HydrophobicContact CZ-CG1 4.1Å; F117-I121 VanDerWaalsContact O-CG1 3.25Å; F117-I121 WeakPolarHBondContact O-CG1 3.03Å; F117-I121 PolarHBondContact O-N 3.19Å; E119-I121 PolarHBondContact O-N 3.36Å; I121-E123 VanDerWaalsContact C-N 3.35Å; I121-E123 PolarHBondContact O-N 2.85Å; I121-S125 WeakPolarHBondContact O-CB 3.41Å; I121-S125 PolarHBondContact O-N 2.94Å; I121-S125 PolarHBondContact O-OG 2.88Å; I121-I129 HydrophobicContact CB-CD1 3.83Å; I121-I129 HydrophobicContact CG2-CD1 3.33Å; I121-A157 HydrophobicContact CG2-CB 4.07Å; I121-M160 HydrophobicContact CB-CE 4.23Å; I121-M160 HydrophobicContact CB-SD 4.43Å; I121-M160 HydrophobicContact CG1-CB 4.2Å; I121-M160 HydrophobicContact CG1-CE 3.91Å; I121-M160 HydrophobicContact CG1-SD 4.46Å; I121-M160 HydrophobicContact CG2-CB 4.17Å; I121-M160 HydrophobicContact CG2-CE 4.38Å; I121-M160 HydrophobicContact CG2-SD 3.93Å; I121-I161 HydrophobicContact CD1-CG1 3.94Å
122K95.4Very high94.2Very high82 Ų8270.1 Ų70.136%0.35733%0.334SS..Hα-helixtrans-61.1-44.1175.3-69.5166.7177.1-179.60111.6I118 E119 R120 N126 I129I118-K122 WeakPolarHBondContact O-CG 3.39Å; I118-K122 PolarHBondContact O-N 2.92Å; I118-K122 VanDerWaalsContact O-N 3.15Å; E119-K122 WeakPolarHBondContact O-CB 3.32Å; E119-K122 PolarHBondContact O-N 3.15Å; E119-K122 VanDerWaalsContact O-N 3.11Å; R120-K122 VanDerWaalsContact C-N 3.31Å; R120-K122 PolarHBondContact O-N 3.05Å; K122-N126 WeakPolarHBondContact O-CA 3.29Å; K122-N126 PolarHBondContact O-N 2.97Å; K122-I129 WeakPolarHBondContact CE-O 3.45Å; K122-I129 HydrophobicContact CG-CB 4.06Å; K122-I129 HydrophobicContact CG-CD1 4.23Å; K122-I129 HydrophobicContact CG-CG1 4.33Å
123E96.5Very high93.8Very high148 Ų14876.4 Ų76.469%0.69236%0.357SS*.Hα-helixtrans-65-55.5179.1-173175-154.400112.1E119 R120 I121 S125E119-E123 PolarHBondContact O-N 3.29Å; R120-E123 PolarHBondContact O-N 3.28Å; I121-E123 VanDerWaalsContact C-N 3.35Å; I121-E123 PolarHBondContact O-N 2.85Å; E123-S125 VanDerWaalsContact C-N 3.32Å; E123-S125 PolarHBondContact O-N 2.92Å
124E96.9Very high93Very high104 Ų10473.7 Ų73.749%0.48634%0.342SS..Hα-helixtrans-67-27.7-178.7-73.5-175.6-135.400113.8R120 M160R120-E124 WeakPolarHBondContact CD-OE1 3.37Å; R120-E124 HydrophobicContact CG-CG 4.2Å; R120-E124 WeakPolarHBondContact CG-OE1 3.23Å; R120-E124 WeakPolarHBondContact O-CB 3.43Å; R120-E124 PolarHBondContact O-N 3.4Å; E124-M160 HydrophobicContact CB-CE 3.82Å; E124-M160 HydrophobicContact CB-SD 3.87Å; E124-M160 HydrophobicContact CG-CE 4.09Å; E124-M160 WeakPolarHBondContact OE2-CE 3.38Å
125S96.2Very high91.9Very high4 Ų464.8 Ų64.83%0.02831%0.305CS..Hα-helixtrans-100.8-15-178.473.10000114.8I121 E123 A127 E153I121-S125 WeakPolarHBondContact O-CB 3.41Å; I121-S125 PolarHBondContact O-N 2.94Å; I121-S125 PolarHBondContact O-OG 2.88Å; E123-S125 VanDerWaalsContact C-N 3.32Å; E123-S125 PolarHBondContact O-N 2.92Å; S125-A127 PolarHBondContact O-N 3.34Å; S125-A127 WeakPolarHBondContact OG-CB 3.49Å; S125-A127 PolarHBondContact OG-N 3.42Å; S125-A127 VanDerWaalsContact OG-N 3.16Å; S125-E153 VanDerWaalsContact O-CA 3.27Å; S125-E153 WeakPolarHBondContact O-CA 3.43Å; S125-E153 WeakPolarHBondContact O-CB 3.25Å; S125-E153 WeakPolarHBondContact O-CG 3.42Å
126N96.1Very high90.4Very high131 Ų13173.6 Ų73.670%0.70134%0.341SS*.  trans54.68.2-165.3-67.9-84.6000115.3K122 E153K122-N126 WeakPolarHBondContact O-CA 3.29Å; K122-N126 PolarHBondContact O-N 2.97Å; N126-E153 HydrophobicContact CB-CG 4.41Å
127A95.4Very high88.7Confident3 Ų374.8 Ų74.83%0.02535%0.347CS..  trans-82.6141.6-179.200000112.3S125 I129 I147 E153 A157S125-A127 PolarHBondContact O-N 3.34Å; S125-A127 WeakPolarHBondContact OG-CB 3.49Å; S125-A127 PolarHBondContact OG-N 3.42Å; S125-A127 VanDerWaalsContact OG-N 3.16Å; A127-I129 HydrophobicContact CB-CG1 4.34Å; A127-I129 PolarHBondContact O-N 2.87Å; A127-I147 HydrophobicContact CB-CG2 3.79Å; A127-E153 HydrophobicContact CB-CB 4.12Å; A127-A157 HydrophobicContact CB-CB 3.98Å
128F94.3Very high87.1Confident119 Ų11973.9 Ų73.952%0.52234%0.344SS..EExtended strand (participates in β ladder)trans-76.1107.1170.9179.8-94000110.4Q130 T148F128-Q130 HydrophobicContact CE1-CB 4.16Å; F128-T148 PolarHBondContact N-O 3.02Å; F128-T148 PolarHBondContact O-N 3.15Å
129I94.8Very high85.7Confident3 Ų383.4 Ų83.42%0.01538%0.378CS..EExtended strand (participates in β ladder)trans-109130.5-177-57.6166000111.1I118 I121 K122 A127 I145 V146 I147 A157I118-I129 HydrophobicContact CD1-CG2 3.91Å; I118-I129 HydrophobicContact CG1-CG2 4.13Å; I121-I129 HydrophobicContact CB-CD1 3.83Å; I121-I129 HydrophobicContact CG2-CD1 3.33Å; K122-I129 WeakPolarHBondContact CE-O 3.45Å; K122-I129 HydrophobicContact CG-CB 4.06Å; K122-I129 HydrophobicContact CG-CD1 4.23Å; K122-I129 HydrophobicContact CG-CG1 4.33Å; A127-I129 HydrophobicContact CB-CG1 4.34Å; A127-I129 PolarHBondContact O-N 2.87Å; I129-I145 HydrophobicContact CG2-CG2 3.82Å; I129-V146 WeakPolarHBondContact CA-O 3.41Å; I129-I147 HydrophobicContact CG1-CG1 4.36Å; I129-I147 HydrophobicContact CG1-CG2 4.08Å; I129-A157 HydrophobicContact CD1-CB 3.93Å; I129-A157 HydrophobicContact CG1-CB 4.48Å
130Q91.8Very high84.5Confident56 Ų5679.1 Ų79.126%0.26236%0.359SS..EExtended strand (participates in β ladder)trans-132.8143.9178.7-173.1168.348.300110.4F128 I145 V146F128-Q130 HydrophobicContact CE1-CB 4.16Å; Q130-I145 CarbonylContact O-C 3.55Å; Q130-I145 WeakPolarHBondContact O-CA 3.43Å; Q130-V146 PolarHBondContact N-O 3.06Å; Q130-V146 PolarHBondContact O-N 2.78Å
131V92.1Very high83.8Confident28 Ų2879.2 Ų79.217%0.1736%0.362CS..EExtended strand (participates in β ladder)trans-118.9134.5178.4-172.90000109I111 I118 R143 I145I111-V131 HydrophobicContact CD1-CG1 4.38Å; I111-V131 HydrophobicContact CG1-CG2 4.29Å; I118-V131 HydrophobicContact CD1-CG2 3.57Å; V131-R143 HydrophobicContact CG1-CB 4.39Å; V131-I145 HydrophobicContact CG1-CG1 4.25Å; V131-I145 HydrophobicContact CG2-CG1 4.15Å; V131-I145 HydrophobicContact CG2-CG2 4.46Å
132S87.8Confident83.3Confident7 Ų779.8 Ų79.85%0.04937%0.365CS..PPolyproline II helixtrans-60.8144.1175.369.40000111.1R143 C144S132-R143 PolarHBondContact O-NE 3.09Å; S132-R143 WeakPolarHBondContact OG-CA 3.49Å; S132-C144 PolarHBondContact N-O 2.66Å; S132-C144 PolarHBondContact OG-N 2.8Å; S132-C144 PolarHBondContact OG-O 2.82Å
133Q83.9Confident83Confident155 Ų15577.3 Ų77.372%0.72435%0.353SS*.PPolyproline II helixtrans-63.8165.2171.9-59.4-166.727.900110.8
134R74.8Confident82.7Confident126 Ų12670.3 Ų70.348%0.47532%0.321SS..PPolyproline II helixtrans-73.3124.3166.4-99153.9-157.1156.38.4107.2D104 K136 R143D104-R134 PolarHBondContact O-NH2 2.91Å; D104-R134 VanDerWaalsContact O-NH2 3.08Å; D104-R134 IonicContact OD1-CZ 3.18Å; D104-R134 IonicContact OD1-NE 2.81Å; D104-R134 PolarHBondContact OD1-NE 3.26Å; D104-R134 IonicContact OD1-NH2 2.72Å; D104-R134 PolarHBondContact OD1-NH2 3.11Å; D104-R134 WeakPolarHBondContact OD2-CD 3.11Å; D104-R134 VanDerWaalsContact OD2-CG 3.31Å; D104-R134 WeakPolarHBondContact OD2-CG 3.32Å; D104-R134 IonicContact OD2-CZ 3.7Å; D104-R134 IonicContact OD2-NE 2.83Å; D104-R134 PolarHBondContact OD2-NE 3.14Å; D104-R134 IonicContact OD2-NH2 3.79Å; R134-K136 PolarHBondContact O-N 3.3Å; R134-R143 VanDerWaalsContact N-NH2 3.12Å
135P67.1Low82.5Confident24 Ų2465.3 Ų65.316%0.15630%0.298CS..PPolyproline II helixtrans-57.8129.8161.724-28.6000107.5D137 I138 A187P135-D137 VanDerWaalsContact C-N 3.28Å; P135-I138 HydrophobicContact CB-CB 4.18Å; P135-I138 HydrophobicContact CG-CB 4.47Å; P135-I138 WeakPolarHBondContact CG-O 3.48Å; P135-A187 HydrophobicContact CB-CB 3.84Å; P135-A187 HydrophobicContact CG-CB 4.06Å
136K60Low82.5Confident195 Ų19565.7 Ų65.785%0.84830%0.299SS*.SBendtrans-73.1-30178.6-68.3-177.6178.7179.70111.4R134R134-K136 PolarHBondContact O-N 3.3Å
137D59.3Low82.4Confident111 Ų11159.4 Ų59.459%0.59427%0.266SS*.SBendtrans-109.1-9.9-160.6-38.6-76.6000112.8P135 F196P135-D137 VanDerWaalsContact C-N 3.28Å; D137-F196 WeakPolarHBondContact OD2-CE1 3.31Å
138I63.1Low82.3Confident16 Ų1661.1 Ų61.18%0.08228%0.276CS..SBendtrans-127.7130-172.4-60.4165.1000110.9P135 L140 E184 P185 V186P135-I138 HydrophobicContact CB-CB 4.18Å; P135-I138 HydrophobicContact CG-CB 4.47Å; P135-I138 WeakPolarHBondContact CG-O 3.48Å; I138-L140 HydrophobicContact CG2-CG 4.4Å; I138-L140 PolarHBondContact O-N 3.03Å; I138-E184 HydrophobicContact CD1-CB 3.7Å; I138-E184 HydrophobicContact CG1-CB 3.89Å; I138-P185 HydrophobicContact CD1-CG 4.45Å; I138-P185 VanDerWaalsContact CD1-O 3.24Å; I138-P185 WeakPolarHBondContact CD1-O 3.2Å; I138-V186 HydrophobicContact CD1-CG2 4.16Å; I138-V186 HydrophobicContact CG2-CG2 4Å
139R65.9Low82.2Confident219 Ų21956.2 Ų56.283%0.82626%0.259SS*.  trans-80.957.7179.6-67.6-173.8-76.2-166.5-4.5113.2F141R139-F141 HydrophobicContact CB-CE2 4.49Å; R139-F141 HydrophobicContact CB-CZ 4.27Å
140L71.2Confident82.1Confident20 Ų2060.8 Ų60.811%0.10528%0.281CS..  trans-83.5117.7157-75.3-157.8000109.3Y46 I138 E142 V182 V186Y46-L140 HydrophobicContact CE2-CD1 4.21Å; Y46-L140 WeakPolarHBondContact OH-CD1 3.46Å; I138-L140 HydrophobicContact CG2-CG 4.4Å; I138-L140 PolarHBondContact O-N 3.03Å; L140-E142 PolarHBondContact O-N 3.47Å; L140-E142 VanDerWaalsContact O-N 3.14Å; L140-V182 HydrophobicContact CD2-CG1 4.2Å; L140-V182 HydrophobicContact CD2-CG2 4.12Å; L140-V186 HydrophobicContact CD1-CB 4.3Å; L140-V186 HydrophobicContact CD1-CG1 3.52Å; L140-V186 HydrophobicContact CD1-CG2 3.71Å; L140-V186 HydrophobicContact CG-CG1 4.41Å; L140-V186 HydrophobicContact CG-CG2 3.92Å
141F80.2Confident82Confident112 Ų11262.8 Ų62.849%0.49129%0.292SS..  trans-79.820.2175.1-54.1-78.9000113P103 D104 R139 Y174P103-F141 CarbonylContact C-O 3.58Å; P103-F141 WeakPolarHBondContact CA-O 3.32Å; D104-F141 PolarHBondContact N-O 3.43Å; R139-F141 HydrophobicContact CB-CE2 4.49Å; R139-F141 HydrophobicContact CB-CZ 4.27Å; F141-Y174 HydrophobicContact CB-CE1 3.7Å; F141-Y174 HydrophobicContact CB-CE2 4.26Å; F141-Y174 WeakPolarHBondContact CB-OH 3.41Å; F141-Y174 HydrophobicContact CD2-CE1 4.08Å; F141-Y174 HydrophobicContact CG-CE1 4.1Å
142E86.7Confident82.1Confident12 Ų1270.1 Ų70.16%0.05632%0.322CS..EExtended strand (participates in β ladder)trans-137.3146.7-171.5-61.1-172.8129.500111.3K7 V102 L140 Y179K7-E142 IonicContact NZ-OE1 2.64Å; K7-E142 PolarHBondContact NZ-OE1 3.25Å; K7-E142 IonicContact NZ-OE2 3.61Å; V102-E142 CarbonylContact O-C 3.59Å; V102-E142 VanDerWaalsContact O-CA 3.25Å; V102-E142 WeakPolarHBondContact O-CA 3.33Å; L140-E142 PolarHBondContact O-N 3.47Å; L140-E142 VanDerWaalsContact O-N 3.14Å; E142-Y179 WeakPolarHBondContact OE2-CE1 3.5Å; E142-Y179 PolarHBondContact OE2-OH 3.08Å
143R88.4Confident82.5Confident30 Ų3072.9 Ų72.911%0.11333%0.334CS..EExtended strand (participates in β ladder)trans-121.5148175.6-76.2179.2157.5-165.6-5.7110.8L101 V102 D104 A107 V131 S132 R134L101-R143 WeakPolarHBondContact CA-O 3.42Å; V102-R143 HydrophobicContact CG2-CB 4.49Å; V102-R143 PolarHBondContact N-O 2.86Å; V102-R143 PolarHBondContact O-N 3.16Å; D104-R143 VanDerWaalsContact OD1-CD 3.24Å; D104-R143 WeakPolarHBondContact OD1-CD 3.45Å; D104-R143 IonicContact OD1-CZ 3.88Å; D104-R143 IonicContact OD1-NE 2.68Å; D104-R143 PolarHBondContact OD1-NE 2.88Å; A107-R143 HydrophobicContact CB-CB 4.1Å; A107-R143 HydrophobicContact CB-CG 4.34Å; V131-R143 HydrophobicContact CG1-CB 4.39Å; S132-R143 PolarHBondContact O-NE 3.09Å; S132-R143 WeakPolarHBondContact OG-CA 3.49Å; R134-R143 VanDerWaalsContact N-NH2 3.12Å
144C90Very high83Confident1 Ų165.8 Ų65.81%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-92.3123171.7-175.50000110I100 L101 S132 A189I100-C144 CarbonylContact O-C 3.57Å; I100-C144 WeakPolarHBondContact O-CA 3.36Å; L101-C144 HydrophobicContact CD2-CB 4.08Å; S132-C144 PolarHBondContact N-O 2.66Å; S132-C144 PolarHBondContact OG-N 2.8Å; S132-C144 PolarHBondContact OG-O 2.82Å; C144-A189 HydrophobicContact CB-CB 4.07Å
145I94.1Very high84Confident0 Ų064.7 Ų64.70%030%0.297CS..EExtended strand (participates in β ladder)trans-96.3124.3166.1-55.4-177000107.8K99 I100 V102 I110 I129 Q130 V131 I147 I161K99-I145 CarbonylContact C-O 3.53Å; K99-I145 VanDerWaalsContact CA-O 3.32Å; K99-I145 WeakPolarHBondContact CA-O 3.08Å; I100-I145 HydrophobicContact CB-CB 4.46Å; I100-I145 PolarHBondContact N-O 3.1Å; I100-I145 PolarHBondContact O-N 3.24Å; V102-I145 HydrophobicContact CG1-CD1 4.3Å; V102-I145 HydrophobicContact CG2-CD1 3.75Å; V102-I145 HydrophobicContact CG2-CG1 3.9Å; I110-I145 HydrophobicContact CB-CD1 4.29Å; I110-I145 HydrophobicContact CD1-CD1 3.78Å; I110-I145 HydrophobicContact CG2-CD1 3.75Å; I129-I145 HydrophobicContact CG2-CG2 3.82Å; Q130-I145 CarbonylContact O-C 3.55Å; Q130-I145 WeakPolarHBondContact O-CA 3.43Å; V131-I145 HydrophobicContact CG1-CG1 4.25Å; V131-I145 HydrophobicContact CG2-CG1 4.15Å; V131-I145 HydrophobicContact CG2-CG2 4.46Å; I145-I147 HydrophobicContact CG2-CG1 4.13Å; I145-I161 HydrophobicContact CG2-CD1 4.27Å
146V94.4Very high85.4Confident11 Ų1167.3 Ų67.37%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-103.6129.4175.2-169.90000108.2K99 I129 Q130K99-V146 HydrophobicContact CG-CG1 4.27Å; K99-V146 HydrophobicContact CG-CG2 4.22Å; I129-V146 WeakPolarHBondContact CA-O 3.41Å; Q130-V146 PolarHBondContact N-O 3.06Å; Q130-V146 PolarHBondContact O-N 2.78Å
147I95.4Very high87.2Confident0 Ų058 Ų580%027%0.265CS..EExtended strand (participates in β ladder)trans-124.8115.5-180-49.4170.8000107.5Q97 V98 I100 A127 I129 I145 R154 A157 V158 I161Q97-I147 CarbonylContact C-O 3.58Å; Q97-I147 VanDerWaalsContact CA-O 3.31Å; Q97-I147 WeakPolarHBondContact CA-O 3.49Å; V98-I147 HydrophobicContact CB-CB 4.23Å; V98-I147 HydrophobicContact CG1-CD1 4.47Å; V98-I147 PolarHBondContact N-O 3.36Å; V98-I147 PolarHBondContact O-N 2.81Å; I100-I147 HydrophobicContact CD1-CD1 3.83Å; I100-I147 HydrophobicContact CG1-CD1 4.44Å; A127-I147 HydrophobicContact CB-CG2 3.79Å; I129-I147 HydrophobicContact CG1-CG1 4.36Å; I129-I147 HydrophobicContact CG1-CG2 4.08Å; I145-I147 HydrophobicContact CG2-CG1 4.13Å; I147-R154 HydrophobicContact CG2-CB 4.49Å; I147-R154 HydrophobicContact CG2-CG 4.04Å; I147-A157 HydrophobicContact CD1-CB 4.21Å; I147-A157 HydrophobicContact CG2-CB 3.66Å; I147-V158 HydrophobicContact CD1-CG2 3.71Å; I147-I161 HydrophobicContact CD1-CD1 3.7Å; I147-I161 HydrophobicContact CG1-CD1 4.42Å
148T92.9Very high88.9Confident38 Ų3852.9 Ų52.923%0.23324%0.238CC..EExtended strand (participates in β ladder)trans-114.2137.6-178-47.50000109.7K96 Q97 F128K96-T148 WeakPolarHBondContact O-CA 3.49Å; Q97-T148 HydrophobicContact CG-CG2 3.85Å; F128-T148 PolarHBondContact N-O 3.02Å; F128-T148 PolarHBondContact O-N 3.15Å
149G92.1Very high90.5Very high17 Ų1754.3 Ų54.318%0.17524%0.244CC..SBendtrans156.3-171.5-179.300000112.4K96 E153 R154K96-G149 PolarHBondContact O-N 3.04Å; G149-E153 VanDerWaalsContact CA-OE2 3.27Å; G149-E153 WeakPolarHBondContact CA-OE2 3.47Å; G149-R154 WeakPolarHBondContact O-CD 3.47Å; G149-R154 PolarHBondContact O-NE 3.25Å
150E92Very high91.9Very high99 Ų9944.6 Ų44.646%0.46321%0.208SC..  trans-74.5167.9174.7-86.2-54.4142.400113.4K152 E153 R154E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 3.07Å; E150-E153 HydrophobicContact CB-CG 4.43Å; E150-E153 PolarHBondContact N-OE2 2.83Å; E150-E153 PolarHBondContact O-N 2.89Å; E150-R154 WeakPolarHBondContact O-CB 3.33Å; E150-R154 WeakPolarHBondContact O-CG 3.31Å; E150-R154 PolarHBondContact O-N 2.85Å; E150-R154 PolarHBondContact O-NE 2.93Å
151L91.5Very high93Very high97 Ų9743.7 Ų43.751%0.50820%0.204SC..Hα-helixtrans-58.8-38.3-171.9-177.162.3000113.2R155L151-R155 WeakPolarHBondContact O-CB 3.45Å; L151-R155 PolarHBondContact O-N 3.35Å; L151-R155 VanDerWaalsContact O-N 3.13Å
152K94Very high93.6Very high182 Ų18238.3 Ų38.379%0.79118%0.18SC*.Hα-helixtrans-71-48.5178.9-67.1-177.7179.9178.60111.9E150 R154 R155 K156E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 3.07Å; K152-R154 PolarHBondContact O-N 3.05Å; K152-R155 WeakPolarHBondContact O-CB 3.49Å; K152-R155 PolarHBondContact O-N 2.99Å; K152-K156 PolarHBondContact O-N 3.25Å
153E95.7Very high93.9Very high66 Ų6643.8 Ų43.831%0.30820%0.201SC..Hα-helixtrans-56-51.3178.5-61.3163.1-168.300110.5S125 N126 A127 G149 E150 R155 K156 A157S125-E153 VanDerWaalsContact O-CA 3.27Å; S125-E153 WeakPolarHBondContact O-CA 3.43Å; S125-E153 WeakPolarHBondContact O-CB 3.25Å; S125-E153 WeakPolarHBondContact O-CG 3.42Å; N126-E153 HydrophobicContact CB-CG 4.41Å; A127-E153 HydrophobicContact CB-CB 4.12Å; G149-E153 VanDerWaalsContact CA-OE2 3.27Å; G149-E153 WeakPolarHBondContact CA-OE2 3.47Å; E150-E153 HydrophobicContact CB-CG 4.43Å; E150-E153 PolarHBondContact N-OE2 2.83Å; E150-E153 PolarHBondContact O-N 2.89Å; E153-R155 PolarHBondContact O-N 3.32Å; E153-K156 PolarHBondContact O-N 2.87Å; E153-A157 PolarHBondContact O-N 3.3Å
154R94.7Very high93.9Very high6 Ų644.5 Ų44.52%0.02321%0.205CC..Hα-helixtrans-62-41177.3-71-174.6-70.2122-8.8112.6H95 K96 V98 I147 G149 E150 K152 K156 A157 V158H95-R154 PolarHBondContact O-NH2 2.93Å; K96-R154 VanDerWaalsContact O-CD 3.29Å; K96-R154 WeakPolarHBondContact O-CD 3.4Å; K96-R154 PolarHBondContact O-NE 3.49Å; V98-R154 HydrophobicContact CG2-CB 4.15Å; I147-R154 HydrophobicContact CG2-CB 4.49Å; I147-R154 HydrophobicContact CG2-CG 4.04Å; G149-R154 WeakPolarHBondContact O-CD 3.47Å; G149-R154 PolarHBondContact O-NE 3.25Å; E150-R154 WeakPolarHBondContact O-CB 3.33Å; E150-R154 WeakPolarHBondContact O-CG 3.31Å; E150-R154 PolarHBondContact O-N 2.85Å; E150-R154 PolarHBondContact O-NE 2.93Å; K152-R154 PolarHBondContact O-N 3.05Å; R154-K156 VanDerWaalsContact C-N 3.34Å; R154-K156 PolarHBondContact O-N 3.2Å; R154-A157 PolarHBondContact O-N 3.33Å; R154-V158 WeakPolarHBondContact O-CB 3.43Å; R154-V158 WeakPolarHBondContact O-CG2 3.5Å; R154-V158 PolarHBondContact O-N 3.24Å
155R95.5Very high94Very high102 Ų10244.8 Ų44.839%0.38521%0.206SC..Hα-helixtrans-58.2-46.8174.3-173-160.6-17989.78.4110.7D68 L151 K152 E153 V158 E159D68-R155 IonicContact OD1-CZ 4Å; D68-R155 IonicContact OD1-NH1 3.25Å; D68-R155 PolarHBondContact OD1-NH1 2.92Å; D68-R155 IonicContact OD2-CZ 3.29Å; D68-R155 VanDerWaalsContact OD2-CZ 3.29Å; D68-R155 IonicContact OD2-NH1 2.64Å; D68-R155 PolarHBondContact OD2-NH1 3.02Å; D68-R155 IonicContact OD2-NH2 3.66Å; D68-R155 PolarHBondContact OD2-NH2 2.98Å; L151-R155 WeakPolarHBondContact O-CB 3.45Å; L151-R155 PolarHBondContact O-N 3.35Å; L151-R155 VanDerWaalsContact O-N 3.13Å; K152-R155 WeakPolarHBondContact O-CB 3.49Å; K152-R155 PolarHBondContact O-N 2.99Å; E153-R155 PolarHBondContact O-N 3.32Å; R155-V158 PolarHBondContact O-N 2.89Å; R155-E159 WeakPolarHBondContact O-CB 2.93Å; R155-E159 PolarHBondContact O-N 3.39Å
156K96.4Very high93.7Very high80 Ų8047.9 Ų47.935%0.34822%0.223SC..Hα-helixtrans-65.3-45.2-178.8-173.167.8-162.5167.90112.2K152 E153 R154 V158 E159 M160K152-K156 PolarHBondContact O-N 3.25Å; E153-K156 PolarHBondContact O-N 2.87Å; R154-K156 VanDerWaalsContact C-N 3.34Å; R154-K156 PolarHBondContact O-N 3.2Å; K156-V158 VanDerWaalsContact C-N 3.35Å; K156-V158 PolarHBondContact O-N 3.44Å; K156-E159 WeakPolarHBondContact CD-OE2 3.4Å; K156-E159 IonicContact NZ-OE2 2.71Å; K156-E159 PolarHBondContact NZ-OE2 3.17Å; K156-E159 PolarHBondContact O-N 2.99Å; K156-M160 HydrophobicContact CG-SD 4.32Å; K156-M160 WeakPolarHBondContact O-CG 3.16Å; K156-M160 PolarHBondContact O-N 3.26Å
157A96.9Very high93.3Very high0 Ų053.1 Ų53.10%025%0.246CC..Hα-helixtrans-59.2-43.9175.100000112.4I121 A127 I129 I147 E153 R154 I161I121-A157 HydrophobicContact CG2-CB 4.07Å; A127-A157 HydrophobicContact CB-CB 3.98Å; I129-A157 HydrophobicContact CD1-CB 3.93Å; I129-A157 HydrophobicContact CG1-CB 4.48Å; I147-A157 HydrophobicContact CD1-CB 4.21Å; I147-A157 HydrophobicContact CG2-CB 3.66Å; E153-A157 PolarHBondContact O-N 3.3Å; R154-A157 PolarHBondContact O-N 3.33Å; A157-I161 WeakPolarHBondContact O-CB 3.21Å; A157-I161 WeakPolarHBondContact O-CD1 3.23Å; A157-I161 VanDerWaalsContact O-CG1 3.29Å; A157-I161 WeakPolarHBondContact O-CG1 3.37Å; A157-I161 PolarHBondContact O-N 2.89Å; A157-I161 VanDerWaalsContact O-N 3.08Å
158V96.4Very high92.6Very high2 Ų254.6 Ų54.61%0.01225%0.254CS..Hα-helixtrans-64-46.3177.2171.10000111.1F6 V98 I100 I147 R154 R155 K156 M160 I161 L162F6-V158 HydrophobicContact CE1-CG1 4.41Å; F6-V158 HydrophobicContact CZ-CG1 3.84Å; V98-V158 HydrophobicContact CB-CG2 4.39Å; V98-V158 HydrophobicContact CG1-CG2 3.92Å; V98-V158 HydrophobicContact CG2-CG2 4.22Å; I100-V158 HydrophobicContact CD1-CG2 4.25Å; I147-V158 HydrophobicContact CD1-CG2 3.71Å; R154-V158 WeakPolarHBondContact O-CB 3.43Å; R154-V158 WeakPolarHBondContact O-CG2 3.5Å; R154-V158 PolarHBondContact O-N 3.24Å; R155-V158 PolarHBondContact O-N 2.89Å; K156-V158 VanDerWaalsContact C-N 3.35Å; K156-V158 PolarHBondContact O-N 3.44Å; V158-M160 PolarHBondContact O-N 2.68Å; V158-I161 PolarHBondContact O-N 2.76Å; V158-L162 HydrophobicContact CG1-CD1 4.02Å; V158-L162 HydrophobicContact CG1-CG 4.16Å; V158-L162 WeakPolarHBondContact O-CG 3.32Å; V158-L162 PolarHBondContact O-N 3.29Å
159E95.5Very high91.3Very high46 Ų4658 Ų5822%0.21528%0.277CS..Hα-helixtrans-54.4-52.1176.6178-175.9-95.800111.7I64 R155 K156 I161 L162 Y163I64-E159 HydrophobicContact CD1-CG 4.32Å; R155-E159 WeakPolarHBondContact O-CB 2.93Å; R155-E159 PolarHBondContact O-N 3.39Å; K156-E159 WeakPolarHBondContact CD-OE2 3.4Å; K156-E159 IonicContact NZ-OE2 2.71Å; K156-E159 PolarHBondContact NZ-OE2 3.17Å; K156-E159 PolarHBondContact O-N 2.99Å; E159-I161 VanDerWaalsContact C-N 3.32Å; E159-I161 PolarHBondContact O-N 3.12Å; E159-L162 PolarHBondContact O-N 3.43Å; E159-L162 VanDerWaalsContact O-N 3.16Å; E159-Y163 HydrophobicContact CG-CD2 3.95Å; E159-Y163 HydrophobicContact CG-CE2 3.7Å; E159-Y163 VanDerWaalsContact O-CD2 3.26Å; E159-Y163 WeakPolarHBondContact O-CD2 3.41Å; E159-Y163 PolarHBondContact O-N 3.14Å
160M95.1Very high90.1Very high16 Ų1662.3 Ų62.38%0.07930%0.296CS..Hα-helixtrans-60.8-39.3178.4-65.3173.374.900112.5I121 E124 K156 V158 K164I121-M160 HydrophobicContact CB-CE 4.23Å; I121-M160 HydrophobicContact CB-SD 4.43Å; I121-M160 HydrophobicContact CG1-CB 4.2Å; I121-M160 HydrophobicContact CG1-CE 3.91Å; I121-M160 HydrophobicContact CG1-SD 4.46Å; I121-M160 HydrophobicContact CG2-CB 4.17Å; I121-M160 HydrophobicContact CG2-CE 4.38Å; I121-M160 HydrophobicContact CG2-SD 3.93Å; E124-M160 HydrophobicContact CB-CE 3.82Å; E124-M160 HydrophobicContact CB-SD 3.87Å; E124-M160 HydrophobicContact CG-CE 4.09Å; E124-M160 WeakPolarHBondContact OE2-CE 3.38Å; K156-M160 HydrophobicContact CG-SD 4.32Å; K156-M160 WeakPolarHBondContact O-CG 3.16Å; K156-M160 PolarHBondContact O-N 3.26Å; V158-M160 PolarHBondContact O-N 2.68Å; M160-K164 PolarHBondContact O-N 2.83Å
161I94.7Very high88.9Confident0 Ų058 Ų580%028%0.277CS..Hα-helixtrans-65.8-43.3175.2-73.8166000110.9I100 I110 I121 I145 I147 A157 V158 E159 K164 I165I100-I161 HydrophobicContact CD1-CD1 4.41Å; I100-I161 HydrophobicContact CD1-CG2 3.95Å; I110-I161 HydrophobicContact CD1-CG2 3.95Å; I110-I161 HydrophobicContact CG2-CG1 4.1Å; I121-I161 HydrophobicContact CD1-CG1 3.94Å; I145-I161 HydrophobicContact CG2-CD1 4.27Å; I147-I161 HydrophobicContact CD1-CD1 3.7Å; I147-I161 HydrophobicContact CG1-CD1 4.42Å; A157-I161 WeakPolarHBondContact O-CB 3.21Å; A157-I161 WeakPolarHBondContact O-CD1 3.23Å; A157-I161 VanDerWaalsContact O-CG1 3.29Å; A157-I161 WeakPolarHBondContact O-CG1 3.37Å; A157-I161 PolarHBondContact O-N 2.89Å; A157-I161 VanDerWaalsContact O-N 3.08Å; V158-I161 PolarHBondContact O-N 2.76Å; E159-I161 VanDerWaalsContact C-N 3.32Å; E159-I161 PolarHBondContact O-N 3.12Å; I161-K164 CarbonylContact O-C 3.59Å; I161-K164 PolarHBondContact O-N 3.1Å; I161-K164 VanDerWaalsContact O-N 3.14Å; I161-I165 HydrophobicContact CG2-CD1 3.64Å; I161-I165 HydrophobicContact CG2-CG1 4.29Å; I161-I165 VanDerWaalsContact O-CG1 3.27Å; I161-I165 WeakPolarHBondContact O-CG1 3.43Å; I161-I165 PolarHBondContact O-N 2.81Å
162L93.7Very high87.4Confident0 Ų055.2 Ų55.20%027%0.268CS..Hα-helixtrans-65.6-38.8178.6-69.4-177.8000112.7L4 F6 L60 C63 I64 V158 E159 K164 I165 L166L4-L162 HydrophobicContact CD2-CB 4.28Å; L4-L162 HydrophobicContact CD2-CD2 4.19Å; F6-L162 HydrophobicContact CB-CD2 4.15Å; F6-L162 HydrophobicContact CD1-CD1 4.09Å; F6-L162 HydrophobicContact CD1-CD2 3.69Å; F6-L162 HydrophobicContact CD2-CD2 3.59Å; F6-L162 HydrophobicContact CE1-CD1 3.74Å; F6-L162 HydrophobicContact CE1-CD2 3.79Å; F6-L162 HydrophobicContact CE1-CG 4.26Å; F6-L162 HydrophobicContact CE2-CD2 3.75Å; F6-L162 HydrophobicContact CG-CD2 3.57Å; F6-L162 HydrophobicContact CZ-CD1 4.21Å; F6-L162 HydrophobicContact CZ-CD2 3.84Å; F6-L162 HydrophobicContact CZ-CG 4.33Å; L60-L162 HydrophobicContact CD1-CB 3.45Å; L60-L162 VanDerWaalsContact CD1-CB 3.45Å; L60-L162 HydrophobicContact CD1-CD1 4.18Å; L60-L162 HydrophobicContact CD1-CG 4.45Å; C63-L162 HydrophobicContact CB-CD1 4.28Å; I64-L162 HydrophobicContact CG1-CD1 3.72Å; V158-L162 HydrophobicContact CG1-CD1 4.02Å; V158-L162 HydrophobicContact CG1-CG 4.16Å; V158-L162 WeakPolarHBondContact O-CG 3.32Å; V158-L162 PolarHBondContact O-N 3.29Å; E159-L162 PolarHBondContact O-N 3.43Å; E159-L162 VanDerWaalsContact O-N 3.16Å; L162-K164 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 2.84Å; L162-I165 HydrophobicContact CD2-CD1 4.12Å; L162-I165 PolarHBondContact O-N 2.85Å; L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 PolarHBondContact O-N 2.96Å
163Y91.9Very high85.5Confident126 Ų12650.7 Ų50.749%0.49426%0.258SS..Hα-helixtrans-56.6-44.9169.7-85.2-72000111.2L60 E159 I165 L166 E167L60-Y163 HydrophobicContact CD2-CD1 3.66Å; L60-Y163 HydrophobicContact CD2-CD2 4.3Å; L60-Y163 HydrophobicContact CD2-CE1 3.35Å; L60-Y163 HydrophobicContact CD2-CE2 4.03Å; L60-Y163 HydrophobicContact CD2-CG 4.13Å; E159-Y163 HydrophobicContact CG-CD2 3.95Å; E159-Y163 HydrophobicContact CG-CE2 3.7Å; E159-Y163 VanDerWaalsContact O-CD2 3.26Å; E159-Y163 WeakPolarHBondContact O-CD2 3.41Å; E159-Y163 PolarHBondContact O-N 3.14Å; Y163-I165 PolarHBondContact O-N 2.85Å; Y163-L166 WeakPolarHBondContact O-CB 3.24Å; Y163-L166 PolarHBondContact O-N 2.85Å; Y163-E167 PolarHBondContact O-N 2.81Å; Y163-E167 VanDerWaalsContact O-N 3.12Å
164K90.1Very high84Confident46 Ų4651.5 Ų51.520%0.226%0.259CS..Hα-helixtrans-71.7-27.6178.5-146.472.4-174.81670114.1I109 I110 F117 M160 I161 L162 E167 N168I109-K164 HydrophobicContact CG2-CG 4.09Å; I110-K164 HydrophobicContact CG1-CB 4.44Å; F117-K164 HydrophobicContact CD1-CD 4.32Å; F117-K164 HydrophobicContact CD1-CG 4.13Å; F117-K164 HydrophobicContact CE1-CB 3.65Å; F117-K164 HydrophobicContact CE1-CD 3.68Å; F117-K164 HydrophobicContact CE1-CG 3.49Å; F117-K164 VanDerWaalsContact CE1-CG 3.49Å; F117-K164 HydrophobicContact CE2-CD 4.36Å; F117-K164 HydrophobicContact CZ-CB 4.05Å; F117-K164 HydrophobicContact CZ-CD 3.72Å; F117-K164 HydrophobicContact CZ-CG 4.02Å; M160-K164 PolarHBondContact O-N 2.83Å; I161-K164 CarbonylContact O-C 3.59Å; I161-K164 PolarHBondContact O-N 3.1Å; I161-K164 VanDerWaalsContact O-N 3.14Å; L162-K164 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 2.84Å; K164-E167 VanDerWaalsContact CE-OE2 3.23Å; K164-E167 WeakPolarHBondContact CE-OE2 3.05Å; K164-E167 IonicContact NZ-OE1 2.83Å; K164-E167 PolarHBondContact NZ-OE1 2.81Å; K164-E167 IonicContact NZ-OE2 2.76Å; K164-E167 PolarHBondContact NZ-OE2 3.31Å; K164-N168 PolarHBondContact O-ND2 3.48Å
165I90.4Very high82.7Confident6 Ų654.9 Ų54.93%0.03128%0.28CS..Hα-helixtrans-68.7-40.3170.5-65.7164.2000109.8L4 V102 T106 I110 I161 L162 Y163 N168 S171L4-I165 HydrophobicContact CD1-CB 4.07Å; L4-I165 HydrophobicContact CD1-CG2 3.54Å; V102-I165 HydrophobicContact CG1-CD1 3.82Å; V102-I165 HydrophobicContact CG1-CG1 4.32Å; T106-I165 HydrophobicContact CG2-CB 4.35Å; T106-I165 HydrophobicContact CG2-CG1 3.79Å; I110-I165 HydrophobicContact CD1-CD1 4.5Å; I110-I165 HydrophobicContact CD1-CG1 4.1Å; I161-I165 HydrophobicContact CG2-CD1 3.64Å; I161-I165 HydrophobicContact CG2-CG1 4.29Å; I161-I165 VanDerWaalsContact O-CG1 3.27Å; I161-I165 WeakPolarHBondContact O-CG1 3.43Å; I161-I165 PolarHBondContact O-N 2.81Å; L162-I165 HydrophobicContact CD2-CD1 4.12Å; L162-I165 PolarHBondContact O-N 2.85Å; Y163-I165 PolarHBondContact O-N 2.85Å; I165-N168 PolarHBondContact O-N 2.85Å; I165-N168 VanDerWaalsContact O-N 3.16Å; I165-S171 PolarHBondContact O-OG 2.87Å; I165-S171 VanDerWaalsContact O-OG 3.1Å
166L88.5Confident81.5Confident66 Ų6654.2 Ų54.235%0.34628%0.284SS..Hα-helixtrans-66-35.1179.8-173.668.5000113.7L4 L60 L162 Y163 N168L4-L166 HydrophobicContact CB-CD1 4.29Å; L4-L166 HydrophobicContact CD1-CB 4.21Å; L4-L166 HydrophobicContact CD1-CD1 4.34Å; L60-L166 HydrophobicContact CB-CD2 4.34Å; L60-L166 HydrophobicContact CD2-CD2 4.22Å; L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 PolarHBondContact O-N 2.96Å; Y163-L166 WeakPolarHBondContact O-CB 3.24Å; Y163-L166 PolarHBondContact O-N 2.85Å; L166-N168 PolarHBondContact O-N 2.99Å
167E85.9Confident80.2Confident121 Ų12150.5 Ų50.557%0.56527%0.269SS*.THydrogen-bonded Turntrans-63.9-18.4173.2-74179.5-155.200113.6Y163 K164Y163-E167 PolarHBondContact O-N 2.81Å; Y163-E167 VanDerWaalsContact O-N 3.12Å; K164-E167 VanDerWaalsContact CE-OE2 3.23Å; K164-E167 WeakPolarHBondContact CE-OE2 3.05Å; K164-E167 IonicContact NZ-OE1 2.83Å; K164-E167 PolarHBondContact NZ-OE1 2.81Å; K164-E167 IonicContact NZ-OE2 2.76Å; K164-E167 PolarHBondContact NZ-OE2 3.31Å
168N80.6Confident79.1Confident30 Ų3052.6 Ų52.616%0.1628%0.283CS..  trans-108.1104.8-172.1-77.3-66.5000111.4I109 K164 I165 L166 D170 S171I109-N168 WeakPolarHBondContact CD1-OD1 3.36Å; K164-N168 PolarHBondContact O-ND2 3.48Å; I165-N168 PolarHBondContact O-N 2.85Å; I165-N168 VanDerWaalsContact O-N 3.16Å; L166-N168 PolarHBondContact O-N 2.99Å; N168-D170 PolarHBondContact O-N 3.35Å; N168-S171 WeakPolarHBondContact CB-OG 3.27Å; N168-S171 VanDerWaalsContact O-CB 3.23Å; N168-S171 WeakPolarHBondContact O-CB 3.41Å; N168-S171 PolarHBondContact O-N 2.83Å; N168-S171 PolarHBondContact O-OG 2.95Å; N168-S171 VanDerWaalsContact O-OG 3.04Å
169P66.9Low78.2Confident111 Ų11153 Ų5372%0.72128%0.284SS*.G310 helixtrans-61.6-33.4-176.624.9-34000112.6S171 A172P169-S171 PolarHBondContact O-N 3.46Å; P169-S171 VanDerWaalsContact O-N 3.15Å; P169-A172 PolarHBondContact O-N 3.14Å
170D66.7Low76.9Confident107 Ų10754.7 Ų54.757%0.57230%0.301SS*.G310 helixtrans-62.5-19.5177-65.6-19000113.4N168 A172 C173N168-D170 PolarHBondContact O-N 3.35Å; D170-A172 PolarHBondContact O-N 3.23Å; D170-C173 PolarHBondContact O-N 3.1Å; D170-C173 VanDerWaalsContact O-N 3.12Å; D170-C173 PolarHBondContact O-SG 3.49Å
171S65.5Low75.4Confident9 Ų962.7 Ų62.76%0.06334%0.338CS..G310 helixtrans-59.9-21.8179.6-59.70000113.4T106 I165 N168 P169 C173T106-S171 VanDerWaalsContact CG2-OG 3.29Å; T106-S171 WeakPolarHBondContact CG2-OG 3.27Å; T106-S171 PolarHBondContact OG1-OG 2.94Å; I165-S171 PolarHBondContact O-OG 2.87Å; I165-S171 VanDerWaalsContact O-OG 3.1Å; N168-S171 WeakPolarHBondContact CB-OG 3.27Å; N168-S171 VanDerWaalsContact O-CB 3.23Å; N168-S171 WeakPolarHBondContact O-CB 3.41Å; N168-S171 PolarHBondContact O-N 2.83Å; N168-S171 PolarHBondContact O-OG 2.95Å; N168-S171 VanDerWaalsContact O-OG 3.04Å; P169-S171 PolarHBondContact O-N 3.46Å; P169-S171 VanDerWaalsContact O-N 3.15Å; S171-C173 VanDerWaalsContact C-N 3.34Å; S171-C173 PolarHBondContact O-N 3.09Å
172A59.9Low74Confident38 Ų3865.1 Ų65.131%0.31435%0.353SS..G310 helixtrans-72.5-21.317900000114H5 P169 D170 Y174H5-A172 PolarHBondContact CE1-O 3.19Å; H5-A172 VanDerWaalsContact CE1-O 3.24Å; H5-A172 WeakPolarHBondContact ND1-CA 3.48Å; H5-A172 PolarHBondContact ND1-O 3.49Å; P169-A172 PolarHBondContact O-N 3.14Å; D170-A172 PolarHBondContact O-N 3.23Å; A172-Y174 VanDerWaalsContact C-N 3.28Å; A172-Y174 PolarHBondContact O-N 3.36Å; A172-Y174 VanDerWaalsContact O-N 3.1Å
173C53.8Low72Confident86 Ų8676 Ų7658%0.58139%0.394SS*.G310 helixtrans-74.8-5.6-160.971.10000116.3D170 S171D170-C173 PolarHBondContact O-N 3.1Å; D170-C173 VanDerWaalsContact O-N 3.12Å; D170-C173 PolarHBondContact O-SG 3.49Å; S171-C173 VanDerWaalsContact C-N 3.34Å; S171-C173 PolarHBondContact O-N 3.09Å
174Y64.4Low70.2Confident83 Ų8375.5 Ų75.533%0.32540%0.396SS..  trans-115.576.2178.8-65-80.1000113.3K7 P103 F141 A172 N176K7-Y174 WeakPolarHBondContact CE-O 3.27Å; K7-Y174 PolarHBondContact NZ-O 2.64Å; P103-Y174 HydrophobicContact CB-CD2 3.78Å; P103-Y174 HydrophobicContact CB-CE2 4.04Å; P103-Y174 HydrophobicContact CG-CD2 3.74Å; P103-Y174 HydrophobicContact CG-CE2 4.47Å; F141-Y174 HydrophobicContact CB-CE1 3.7Å; F141-Y174 HydrophobicContact CB-CE2 4.26Å; F141-Y174 WeakPolarHBondContact CB-OH 3.41Å; F141-Y174 HydrophobicContact CD2-CE1 4.08Å; F141-Y174 HydrophobicContact CG-CE1 4.1Å; A172-Y174 VanDerWaalsContact C-N 3.28Å; A172-Y174 PolarHBondContact O-N 3.36Å; A172-Y174 VanDerWaalsContact O-N 3.1Å; Y174-N176 VanDerWaalsContact C-N 3.28Å; Y174-N176 PolarHBondContact O-N 3.12Å
175T67.5Low68.3Low77 Ų7776.3 Ų76.347%0.47241%0.407SS..  trans-80.32.5176.153.30000115.1H5 L55 C177H5-T175 WeakPolarHBondContact CE1-CG2 3.38Å; H5-T175 WeakPolarHBondContact ND1-CG2 3.18Å; L55-T175 WeakPolarHBondContact CD2-O 3.42Å; T175-C177 PolarHBondContact O-N 2.96Å; T175-C177 PolarHBondContact O-SG 2.84Å
176N69.8Low66.5Low88 Ų8876.1 Ų76.147%0.47141%0.406SS..  trans-64.3136-176.6-169.314.6000112.1K7 Y174 S178 Y179K7-N176 WeakPolarHBondContact CE-O 3.4Å; K7-N176 PolarHBondContact NZ-O 3.14Å; Y174-N176 VanDerWaalsContact C-N 3.28Å; Y174-N176 PolarHBondContact O-N 3.12Å; N176-S178 PolarHBondContact ND2-O 2.92Å; N176-S178 PolarHBondContact OD1-N 3.34Å; N176-S178 PolarHBondContact OD1-O 3.27Å; N176-Y179 PolarHBondContact O-OH 3.4Å
177C70.6Confident64.8Low3 Ų373.6 Ų73.62%0.0239%0.394CS..  trans-116.3-3.6177.5-53.60000112.6K38 S40 L55 T175K38-C177 HydrophobicContact CD-CB 4.43Å; S40-C177 WeakPolarHBondContact CB-O 3.42Å; L55-C177 VanDerWaalsContact CB-SG 3.56Å; L55-C177 VanDerWaalsContact CD2-SG 3.52Å; T175-C177 PolarHBondContact O-N 2.96Å; T175-C177 PolarHBondContact O-SG 2.84Å
178S74Confident63.2Low43 Ų4368.5 Ų68.530%0.30137%0.372SS..  trans-123.6126.5-172.9-166.40000110.8D44 N176 S180D44-S178 WeakPolarHBondContact OD1-CA 3.4Å; D44-S178 PolarHBondContact OD1-OG 3.16Å; D44-S178 VanDerWaalsContact OD1-OG 3.05Å; D44-S178 VanDerWaalsContact OD2-CA 3.24Å; D44-S178 WeakPolarHBondContact OD2-CA 3.4Å; D44-S178 WeakPolarHBondContact OD2-CB 3.32Å; D44-S178 PolarHBondContact OD2-OG 3.23Å; N176-S178 PolarHBondContact ND2-O 2.92Å; N176-S178 PolarHBondContact OD1-N 3.34Å; N176-S178 PolarHBondContact OD1-O 3.27Å; S178-S180 PolarHBondContact OG-OG 2.85Å
179Y77.2Confident61.9Low11 Ų1167.1 Ų67.14%0.04336%0.364CS..  trans-122.64.8-173.4-61.2-104.6000111.7K7 D44 Y46 P47 V53 E142 N176 Q181 V182K7-Y179 PolarHBondContact NZ-OH 2.95Å; D44-Y179 PolarHBondContact OD1-N 3.37Å; Y46-Y179 HydrophobicContact CD2-CD1 4.15Å; Y46-Y179 HydrophobicContact CD2-CD2 4.48Å; Y46-Y179 AromaticContact CD2-CE1 3.96Å; Y46-Y179 HydrophobicContact CD2-CE1 3.96Å; Y46-Y179 HydrophobicContact CD2-CE2 4.35Å; Y46-Y179 HydrophobicContact CD2-CG 4.42Å; Y46-Y179 HydrophobicContact CE2-CD1 4.29Å; Y46-Y179 AromaticContact CE2-CE1 3.87Å; Y46-Y179 HydrophobicContact CE2-CE1 3.87Å; P47-Y179 HydrophobicContact CG-CD1 4.27Å; P47-Y179 HydrophobicContact CG-CG 4.37Å; V53-Y179 HydrophobicContact CB-CE2 4.28Å; V53-Y179 HydrophobicContact CG1-CE2 4.29Å; V53-Y179 HydrophobicContact CG2-CD2 3.97Å; V53-Y179 HydrophobicContact CG2-CE2 3.67Å; E142-Y179 WeakPolarHBondContact OE2-CE1 3.5Å; E142-Y179 PolarHBondContact OE2-OH 3.08Å; N176-Y179 PolarHBondContact O-OH 3.4Å; Y179-Q181 PolarHBondContact O-N 2.64Å; Y179-V182 WeakPolarHBondContact O-CB 3.49Å; Y179-V182 PolarHBondContact O-N 3.02Å
180S67Low61.1Low81 Ų8164.3 Ų64.357%0.56634%0.341SS*.THydrogen-bonded Turntrans-48.1-19.5174.7570000117D44 S178D44-S180 PolarHBondContact OD1-N 2.96Å; S178-S180 PolarHBondContact OG-OG 2.85Å
181Q64.7Low60.2Low184 Ų18461.6 Ų61.686%0.8633%0.331SS*.THydrogen-bonded Turntrans-87.4-17.8174.7-65.3-179.4-11.500113.5Y179 R183Y179-Q181 PolarHBondContact O-N 2.64Å; Q181-R183 PolarHBondContact O-N 3.21Å
182V65.1Low59.3Low51 Ų5166 Ų6631%0.30935%0.352SS..  trans-84.990.6179.4-174.10000109P47 L140 Y179 V186P47-V182 HydrophobicContact CB-CG1 4.39Å; P47-V182 HydrophobicContact CG-CB 3.93Å; P47-V182 HydrophobicContact CG-CG1 3.95Å; L140-V182 HydrophobicContact CD2-CG1 4.2Å; L140-V182 HydrophobicContact CD2-CG2 4.12Å; Y179-V182 WeakPolarHBondContact O-CB 3.49Å; Y179-V182 PolarHBondContact O-N 3.02Å; V182-V186 HydrophobicContact CG1-CG2 3.88Å
183R52.2Low58.4Low228 Ų22866.6 Ų66.686%0.8636%0.362SS*.  trans-88.1-6.3-178-66-176.6175.2-176.1-1.8114.7Q181Q181-R183 PolarHBondContact O-N 3.21Å
184E53.6Low57.8Low116 Ų11665.8 Ų65.854%0.54236%0.357SS..SBendtrans-90.5152.9-173.2-67.7177.5166.500112.3I138 V186I138-E184 HydrophobicContact CD1-CB 3.7Å; I138-E184 HydrophobicContact CG1-CB 3.89Å; E184-V186 PolarHBondContact O-N 3.05Å
185P50.9Low56.9Low64 Ų6466 Ų6642%0.41637%0.369SS..  trans-76.683.2-168.132-37.6000113I138 F196I138-P185 HydrophobicContact CD1-CG 4.45Å; I138-P185 VanDerWaalsContact CD1-O 3.24Å; I138-P185 WeakPolarHBondContact CD1-O 3.2Å; P185-F196 HydrophobicContact CB-CB 4.34Å; P185-F196 WeakPolarHBondContact O-CD1 3.49Å
186V51.9Low55.6Low2 Ų266.8 Ų66.81%0.01237%0.366CS..PPolyproline II helixtrans-57.2152.9-176.1163.70000113.8Y46 P47 I138 L140 V182 E184 S188 A197Y46-V186 HydrophobicContact CE1-CG1 4.45Å; P47-V186 HydrophobicContact CB-CB 3.66Å; P47-V186 HydrophobicContact CB-CG1 4.13Å; P47-V186 HydrophobicContact CB-CG2 3.53Å; P47-V186 HydrophobicContact CG-CG2 4.2Å; I138-V186 HydrophobicContact CD1-CG2 4.16Å; I138-V186 HydrophobicContact CG2-CG2 4Å; L140-V186 HydrophobicContact CD1-CB 4.3Å; L140-V186 HydrophobicContact CD1-CG1 3.52Å; L140-V186 HydrophobicContact CD1-CG2 3.71Å; L140-V186 HydrophobicContact CG-CG1 4.41Å; L140-V186 HydrophobicContact CG-CG2 3.92Å; V182-V186 HydrophobicContact CG1-CG2 3.88Å; E184-V186 PolarHBondContact O-N 3.05Å; V186-S188 PolarHBondContact O-N 3.33Å; V186-A197 WeakPolarHBondContact O-CB 3.34Å; V186-A197 PolarHBondContact O-N 3.25Å
187A53.2Low54.4Low12 Ų1263 Ų6310%0.09935%0.347CS..BIsolated β-bridgetrans-52.5126.4175.500000111.9P135 A189 P195P135-A187 HydrophobicContact CB-CB 3.84Å; P135-A187 HydrophobicContact CG-CB 4.06Å; A187-A189 PolarHBondContact O-N 2.95Å; A187-P195 VanDerWaalsContact CA-O 3.28Å; A187-P195 WeakPolarHBondContact CA-O 3.24Å
188S51.7Low52.8Low14 Ų1468.9 Ų68.910%0.09838%0.377CS..PPolyproline II helixtrans-59.2123.9-171.7-178.10000113.1V186 F190 S194 P195V186-S188 PolarHBondContact O-N 3.33Å; S188-F190 PolarHBondContact O-N 2.86Å; S188-F190 VanDerWaalsContact O-N 3.15Å; S188-F190 PolarHBondContact OG-N 2.57Å; S188-F190 VanDerWaalsContact OG-N 3.08Å; S188-F190 PolarHBondContact OG-O 3.4Å; S188-S194 WeakPolarHBondContact CB-O 3.39Å; S188-P195 PolarHBondContact N-O 3.08Å
189A53.8Low51Low1 Ų171.2 Ų71.21%0.00839%0.389CS..SBendtrans-74.312.5167.800000113.1T49 K99 C144 A187T49-A189 HydrophobicContact CG2-CB 3.72Å; K99-A189 WeakPolarHBondContact CE-O 3.47Å; K99-A189 PolarHBondContact NZ-O 2.77Å; K99-A189 VanDerWaalsContact NZ-O 3.1Å; C144-A189 HydrophobicContact CB-CB 4.07Å; A187-A189 PolarHBondContact O-N 2.95Å
190F50Low48.8Very low52 Ų5279.5 Ų79.523%0.22842%0.422CS..SBendtrans-135.988.6174.9-60.6-88.7000108.4T49 I81 K99 S188 I192T49-F190 HydrophobicContact CG2-CE2 4.09Å; I81-F190 HydrophobicContact CD1-CE1 4.47Å; I81-F190 HydrophobicContact CD1-CZ 4.39Å; K99-F190 VanDerWaalsContact NZ-CE2 3.33Å; S188-F190 PolarHBondContact O-N 2.86Å; S188-F190 VanDerWaalsContact O-N 3.15Å; S188-F190 PolarHBondContact OG-N 2.57Å; S188-F190 VanDerWaalsContact OG-N 3.08Å; S188-F190 PolarHBondContact OG-O 3.4Å; F190-I192 PolarHBondContact O-N 3.45Å
191S46.7Very low47.1Very low51 Ų5182.9 Ų82.936%0.35743%0.428SS..THydrogen-bonded Turntrans-74.719.2-165.2-47.10000116.1
192I47.3Very low45.3Very low101 Ų10178.7 Ų78.752%0.51842%0.417SS..THydrogen-bonded Turntrans-105.7-2.8-175.5-52.6-179.8000111.5T85 M92 F190T85-I192 HydrophobicContact CG2-CG2 3.76Å; M92-I192 HydrophobicContact CE-CD1 4.36Å; F190-I192 PolarHBondContact O-N 3.45Å
193G40.4Very low43.6Very low50 Ų5081.8 Ų81.852%0.51544%0.438SS..SBendtrans-162.8133.4171.600000112.8
194S41.1Very low42.5Very low69 Ų6977 Ų7748%0.48343%0.434SS..  trans54.3129.3-177.1-172.90000116S188 F196S188-S194 WeakPolarHBondContact CB-O 3.39Å; S194-F196 VanDerWaalsContact CB-O 3.26Å; S194-F196 WeakPolarHBondContact CB-O 3.1Å; S194-F196 PolarHBondContact O-N 2.87Å; S194-F196 PolarHBondContact OG-N 2.92Å; S194-F196 PolarHBondContact OG-O 3.15Å
195P47.3Very low41.2Very low88 Ų8878.7 Ų78.757%0.57145%0.447SS*.SBendtrans-62.3-29.6171.126.2-32.5000111.9A187 S188A187-P195 VanDerWaalsContact CA-O 3.28Å; A187-P195 WeakPolarHBondContact CA-O 3.24Å; S188-P195 PolarHBondContact N-O 3.08Å
196F39.9Very low40.2Very low93 Ų9383.1 Ų83.141%0.40846%0.464SS..BIsolated β-bridgetrans-102.3129.9178.2-53.4-72.4000110.9D137 P185 S194D137-F196 WeakPolarHBondContact OD2-CE1 3.31Å; P185-F196 HydrophobicContact CB-CB 4.34Å; P185-F196 WeakPolarHBondContact O-CD1 3.49Å; S194-F196 VanDerWaalsContact CB-O 3.26Å; S194-F196 WeakPolarHBondContact CB-O 3.1Å; S194-F196 PolarHBondContact O-N 2.87Å; S194-F196 PolarHBondContact OG-N 2.92Å; S194-F196 PolarHBondContact OG-O 3.15Å
197A43.6Very low39.1Very low8 Ų890 Ų907%0.06650%0.501CS..PPolyproline II helixtrans-80.3133.6173.900000111.6V186V186-A197 WeakPolarHBondContact O-CB 3.34Å; V186-A197 PolarHBondContact O-N 3.25Å
198I38.1Very low37.7Very low128 Ų128100.1 Ų100.166%0.65654%0.538SS*.PPolyproline II helixtrans-81.8126.9175.5-57.9173.9000108.7Y200I198-Y200 VanDerWaalsContact C-N 3.35Å; I198-Y200 HydrophobicContact CB-CE2 4.48Å; I198-Y200 HydrophobicContact CG2-CD2 4.48Å; I198-Y200 PolarHBondContact O-N 3.25Å
199T34.9Very low36.5Very low91 Ų91103.1 Ų103.156%0.55856%0.559SS**  trans-69.888.1176.3-530000110.7H201T199-H201 VanDerWaalsContact C-N 3.32Å; T199-H201 PolarHBondContact O-N 3.17Å
200Y31.4Very low35.2Very low185 Ų185110.3 Ų110.373%0.72560%0.598SS**  trans-68.887.5169.3-89.2-88.3000110.6I198 P202I198-Y200 VanDerWaalsContact C-N 3.35Å; I198-Y200 HydrophobicContact CB-CE2 4.48Å; I198-Y200 HydrophobicContact CG2-CD2 4.48Å; I198-Y200 PolarHBondContact O-N 3.25Å; Y200-P202 WeakPolarHBondContact O-CD 3.41Å
201H31.6Very low34.2Very low152 Ų152116 Ų11670%0.70463%0.628SS**PPolyproline II helixtrans-62.8122.7148.9-95.5-85.5000107.8T199T199-H201 VanDerWaalsContact C-N 3.32Å; T199-H201 PolarHBondContact O-N 3.17Å
202P27.7Very low33.3Very low96 Ų96120.6 Ų120.662%0.62365%0.649SS**PPolyproline II helixtrans-63.9150.5162.829.7-33.6000108.8Y200 V204Y200-P202 WeakPolarHBondContact O-CD 3.41Å; P202-V204 PolarHBondContact O-N 3.46Å
203P27.8Very low32.3Very low116 Ų116121 Ų12175%0.75366%0.661SS**PPolyproline II helixtrans-56.1124.9170.7-22.533.5000109.9D205P203-D205 PolarHBondContact O-N 2.89Å
204V29.4Very low31.8Very low129 Ų129127.7 Ų127.778%0.78268%0.679SS**SBendtrans-82.867.1178.4-173.40000108.8P202P202-V204 PolarHBondContact O-N 3.46Å
205D26.7Very low30.9Very low151 Ų151129.8 Ų129.881%0.80769%0.692SS**  trans-151.265.8173.8-88.1-49.5000109.7P203P203-D205 PolarHBondContact O-N 2.89Å
206M29.4Very low30Very low157 Ų157135.9 Ų135.977%0.77371%0.709SS**  trans-121.381.7166.5-88.6-67.6-66.700108.6Y208M206-Y208 PolarHBondContact O-N 3.16Å; M206-Y208 VanDerWaalsContact O-N 3.12Å
207N28.2Very low29.4Very low147 Ų147136 Ų13679%0.78672%0.722SS**  trans-70.5104.7-175.2-160.36.3000110.5S209N207-S209 VanDerWaalsContact C-N 3.31Å; N207-S209 PolarHBondContact O-N 2.71Å
208Y25.8Very low28.5Very low223 Ų223142.7 Ų142.788%0.87576%0.757SS**  trans-80.874.7-176.7-112.3-91.2000111.1M206M206-Y208 PolarHBondContact O-N 3.16Å; M206-Y208 VanDerWaalsContact O-N 3.12Å
209S25.9Very low28.2Very low78 Ų78145 Ų14555%0.54577%0.769SS.*  trans-133.1117.5175.257.10000111.8N207N207-S209 VanDerWaalsContact C-N 3.31Å; N207-S209 PolarHBondContact O-N 2.71Å
210N26.1Very low27.8Very low152 Ų152146 Ų14681%0.81378%0.779SS**  trans48.994.9161.1-60.6-16000118.9
211I29.1Very low27.7Very low170 Ų170141.3 Ų141.387%0.87278%0.779SS**  -132.298.7120.6-57-176.6000108.1
212N27.4Very low27.5Very low148 Ų148138.7 Ų138.779%0.79178%0.778SS**  trans-76.1158.3152.3-95.9-17.1000108.5E214N212-E214 PolarHBondContact O-N 2.95Å
213S26.8Very low27.6Very low110 Ų110141 Ų14177%0.76979%0.785SS**  trans-40.7127.4173.851.90000114.7
214E28.7Very low27.7Very low191 Ų191143.4 Ų143.489%0.89379%0.79SS**  -157.5157.7119.8-117.6-179.8-175.900112.8N212N212-E214 PolarHBondContact O-N 2.95Å
215C23.1Very low28Very low113 Ų113142.6 Ų142.676%0.76479%0.788SS**  trans-115.3123.6-173.8-53.80000110.5
216K27.8Very low28Very low215 Ų215143.2 Ų143.294%0.93579%0.791SS**  trans-164.2158.3149.1-102.7136.3-166.3171.40111.8
217S27.5Very low28Very low97 Ų97140.3 Ų140.368%0.67879%0.792SS**  trans-100.9148.2-167.152.90000113.6
218N25.1Very low27.9Very low148 Ų148138.7 Ų138.779%0.79179%0.793SS**  trans41.1118.5141.7-52.5-4.6000119.3
219I31.7Very low28.2Very low176 Ų176133.5 Ų133.590%0.90379%0.786SS**  -170.4160.8107.9-93.6154.7000108.6
220S25.8Very low28.4Very low111 Ų111136.1 Ų136.178%0.77680%0.799SS**  trans-123.1176.2-166.150.80000114
221A30.4Very low28.3Very low88 Ų88134.2 Ų134.273%0.72779%0.793SS**  trans86.693.4167.300000119.7
222S26.5Very low28.2Very low96 Ų96133.3 Ų133.367%0.67179%0.789SS**  20.1130.2129.456.70000121.5
223N30.8Very low28Very low145 Ų145132.1 Ų132.178%0.77579%0.787SS**  -179.9119.7106.1-91.6-32.1000115.3
224L29.7Very low28.1Very low166 Ų166136.8 Ų136.887%0.86979%0.794SS**  trans53.8169.1153.6-93.667000119.7
225P36Very low27.9Very low113 Ų113131.1 Ų131.173%0.73479%0.787SS**  trans-124.3172.1-145.944.4-33.6000115.2
226D26.1Very low28.1Very low163 Ų163133.4 Ų133.487%0.87279%0.786SS**  trans-158.3166.2146.9-135.2-30.1000113.7
227A29.9Very low28.1Very low96 Ų96130.7 Ų130.779%0.79378%0.777SS**  trans64145167.900000120.1
228S26Very low28Very low114 Ų114130 Ų13080%0.79777%0.772SS**  trans-133.7-168.6-179.772.80000111
229P32.5Very low28Very low114 Ų114129.8 Ų129.874%0.7477%0.771SS**PPolyproline II helix-93.9160.1-118.339.6-35.9000115.8
230T29Very low28.1Very low133 Ų133127 Ų12782%0.81676%0.763SS**PPolyproline II helixtrans-103.4116172-52.20000111.7
231T25.1Very low28.2Very low112 Ų112128.2 Ų128.269%0.68776%0.76SS**PPolyproline II helixtrans-77.1143.6169.3-58.70000110.8
232L26.8Very low28.2Very low150 Ų150133.6 Ų133.679%0.78577%0.767SS**  trans-123.6103.5164.7-74.6178.9000111.2
233T23.3Very low28.5Very low123 Ų123135.8 Ų135.876%0.75577%0.77SS**  trans-142.8111.4164.320.20000109.3
234F27.7Very low28.4Very low209 Ų209135.9 Ų135.992%0.91777%0.77SS**  trans-118153.6160.5-77.9-80.5000107.8
235G25Very low28.6Very low72 Ų72133.4 Ų133.474%0.74276%0.764SS**  trans-165.8-161.9-179.100000113.7
236H28.3Very low28.4Very low160 Ų160135.5 Ų135.574%0.74177%0.768SS**  trans85.1114.9176.1-90.9-118.1000120
237E26.1Very low28.7Very low158 Ų158134.8 Ų134.874%0.73876%0.764SS**  trans65.8135.1132.4-68.6175.6143.900121.7
238S26.5Very low28.6Very low84 Ų84134.6 Ų134.659%0.58776%0.755SS**  cis172.2167.4-2.955.10000108.3
239N26Very low28.9Very low143 Ų143134.8 Ų134.877%0.76575%0.747SS**  trans68.7142.3154.4-60.3-30.4000119.2
240T32.1Very low28.7Very low118 Ų118137.2 Ų137.272%0.72475%0.749SS**  cis-143.114123.245.80000116.3
241N27.8Very low28.5Very low135 Ų135135.2 Ų135.272%0.72274%0.741SS**  trans55.3104.9133.2-55.4-6.4000123.3
242K31.9Very low28.6Very low202 Ų202137.5 Ų137.588%0.87875%0.748SS**  -178.7150.4126.1-99155.5-168.4175.20110.3
243I32.5Very low28.7Very low142 Ų142136.1 Ų136.173%0.72875%0.751SS**  cis-145.4-170.4-7.9-154.2164.9000109.3
244D28.5Very low28.8Very low146 Ų146138.7 Ų138.778%0.78176%0.756SS**  trans-73.7151.5-159.9-53.3-68.7000118
245P34.6Very low29.1Very low115 Ų115133.8 Ų133.875%0.74775%0.745SS**  trans-108.1179.317242.2-35.1000113.5
246L31.2Very low29.1Very low156 Ų156138.5 Ų138.582%0.81775%0.752SS**  trans-141.5124.9162-76.1179.2000113.5
247L31.6Very low29.1Very low148 Ų148134.4 Ų134.478%0.77575%0.747SS**  trans56.8139.4135.7-60174.3000121.3
248C28.9Very low29.2Very low92 Ų92134.7 Ų134.762%0.62275%0.753SS**  cis-166.4144.4-18.4-145.30000111.8
249N30.9Very low29.4Very low118 Ų118134.3 Ų134.363%0.63176%0.755SS**  trans38.3125.6140.9-66.57000121.4
250Q28.9Very low29.5Very low166 Ų166134.8 Ų134.878%0.77676%0.758SS**  65.3144.970.4-65.7173.73.700114.7
251S25Very low29.4Very low91 Ų91135.7 Ų135.764%0.63676%0.757SS**  cis-178.8161.1-24.455.70000110.9
252L26.7Very low29.2Very low160 Ų160135.6 Ų135.684%0.83876%0.757SS**  trans85.1138.3157.7-61.3170000122.3
253S28.4Very low29.1Very low121 Ų121131 Ų13185%0.84675%0.75SS**  trans86.9155.1152.671.70000121.1
254M26.1Very low28.9Very low177 Ų177132 Ų13287%0.87276%0.755SS**  trans-126.2-168.2-162.2-49.5171.364.600109.5
255P34Very low28.7Very low106 Ų106132.3 Ų132.369%0.68876%0.756SS**  cis-142.9-178.8-2.240.8-20.3000118.1
256L25.3Very low28.4Very low170 Ų170132.3 Ų132.389%0.8976%0.756SS**  trans92.4138.8139.7-137.175.1000122.8
257A28.2Very low28.2Very low75 Ų75131.5 Ų131.562%0.6276%0.756SS**  trans84.9115.3148.200000122.5
258N27.7Very low27.9Very low163 Ų163131.8 Ų131.887%0.87276%0.757SS**  trans61.4141.4138.1-61.61.1000121
259A30.9Very low28Very low77 Ų77132.4 Ų132.464%0.63676%0.76SS**  cis-170.6157.8-10.100000110.8
260N27.8Very low27.7Very low153 Ų153138.3 Ų138.382%0.81877%0.774SS**  trans63153.5160.1-63.2-6.7000118.1
261L30.7Very low27.7Very low136 Ų136138.7 Ų138.771%0.71278%0.78SS**  cis-145.7150.71.9-154.788.2000110.6
262D24.4Very low27.6Very low134 Ų134141.4 Ų141.472%0.71779%0.787SS**  trans17.1128.7158.8-52.7-21.5000122.1
263S29.3Very low27.6Very low105 Ų105142 Ų14273%0.73479%0.785SS**  171.4141.892.647.90000116.2
264I27.9Very low27.4Very low162 Ų162142.2 Ų142.283%0.83179%0.787SS**  trans69.5135.8155-63.1161.4000119.2
265I24Very low27.4Very low154 Ų154143.2 Ų143.279%0.7979%0.786SS**  trans-116134.6-176.6-66161.8000109.7
266P29.3Very low26.9Very low115 Ų115143 Ų14375%0.74778%0.783SS**  -142.4145.5121.536.4-23.1000114
267V26.3Very low26.8Very low138 Ų138146.3 Ų146.384%0.83679%0.786SS**  trans-133148.5173.3179.90000110.5
268I25.1Very low26.7Very low155 Ų155153.4 Ų153.480%0.79580%0.796SS**  trans-114155.1-165.4-69172.2000109.1
269P32.2Very low26.5Very low105 Ų105151.2 Ų151.268%0.68279%0.794SS**  trans-114.4-164.8-138.243.4-38.3000117.1
270W24.5Very low26.3Very low241 Ų241151.1 Ų151.191%0.91379%0.793SS**  trans83118171.7-71.833.5000117.9
271I28.2Very low26.2Very low175 Ų175151.6 Ų151.690%0.89780%0.795SS**  -170.3170.5110.7-97.2167.1000110.2
272D23.8Very low26.1Very low147 Ų147150.1 Ų150.179%0.78680%0.803SS**  trans-99.3-178.8-159.6-167.713.6000114.7
273Q24.6Very low26.1Very low173 Ų173150.4 Ų150.481%0.80881%0.809SS**  trans94.6125.8164-53.9-171.57.100120.1
274S26.3Very low25.9Very low125 Ų125152 Ų15287%0.87481%0.814SS**  -166.3149.8127.234.50000110.6
275F25.4Very low25.6Very low198 Ų198150.8 Ų150.887%0.86881%0.809SS**  trans-137119.8-171.7-141.5-97.8000111.7
276V23.4Very low25.7Very low103 Ų103151 Ų15162%0.62481%0.812SS**  trans53.4128.5150.6179.30000120.6
277Y23.5Very low25.5Very low239 Ų239150.9 Ų150.994%0.93781%0.808SS**  trans-130.2166.7134-136.8-99.1000110
278R24.8Very low25.4Very low223 Ų223149.3 Ų149.384%0.84280%0.804SS**  trans-141.8166.3-158.8-152.9-173.4-165.8-162.78113.3
279S25Very low25.5Very low117 Ų117147 Ų14782%0.81880%0.8SS**  trans86.8137.7165.3-151.80000116
280A26.9Very low25.1Very low75 Ų75148.4 Ų148.462%0.6280%0.802SS**  cis-165.8171.7-16.600000112.4
281N25.5Very low25.1Very low163 Ų163142.9 Ų142.987%0.87280%0.795SS**  trans59.5108.5156.6-62.9-8.4000121.4
282A28.7Very low24.9Very low105 Ų105140.2 Ų140.287%0.86879%0.787SS**  -171.7158.4126.500000110.9
283V23Very low25.2Very low140 Ų140139.1 Ų139.185%0.84879%0.791SS**  trans-125.9125179.5175.50000111
284V25.9Very low25.4Very low139 Ų139139.1 Ų139.184%0.84279%0.791SS**  trans-142.8141.4150.3-177.40000108
285N20.7Very low25.6Very low136 Ų136138.6 Ų138.673%0.72778%0.784SS**  trans-123.2119.8177.4174.332.9000109.1
286L27Very low25.5Very low160 Ų160136.8 Ų136.884%0.83878%0.782SS**  trans-146.9158.4169.7-84.5-174.5000111.6
287T25Very low25.6Very low111 Ų111138.4 Ų138.468%0.68179%0.792SS**  trans-116.9150.4-160.250.70000114.2
288S23.7Very low25.7Very low106 Ų106131.6 Ų131.674%0.74179%0.786SS**  trans67.5154.1146.856.80000121.3
289C26.7Very low25.6Very low105 Ų105129.9 Ų129.971%0.70979%0.787SS**  trans79.397.4163.1-69.50000120.5
290D24.7Very low25.8Very low135 Ų135129.6 Ų129.672%0.72279%0.785SS**  64.6104111-50.4-34.1000121.1
291T24.6Very low25.7Very low126 Ų126133 Ų13377%0.77379%0.793SS**  trans41.8118.9131.165.30000120.4
292V24Very low26Very low119 Ų119132.7 Ų132.772%0.72179%0.791SS**  173141.999155.20000109.4
293S28.8Very low25.9Very low124 Ų124132.8 Ų132.887%0.86778%0.781SS**  trans-152.598.6158-72.90000110.2
294Q29Very low26Very low173 Ų173132.7 Ų132.781%0.80878%0.775SS**  trans-90.4175.1163.2-70.1-175.6-20.400110
295P30.8Very low26.2Very low114 Ų114134.3 Ų134.374%0.7477%0.774SS**  trans-137.5126.2131.733-19.4000115.7
296L23.3Very low26.5Very low159 Ų159132.6 Ų132.683%0.83277%0.772SS**  trans56.1138.5140.4-78.672.5000121.9
297V25.6Very low26.5Very low137 Ų137134.1 Ų134.183%0.8378%0.775SS**  -165.7144.5104.2143.40000111.7
298A26.4Very low26.8Very low97 Ų97134.2 Ų134.280%0.80278%0.777SS**  trans68.8155.3165.900000120.4
299Q23.1Very low27.1Very low187 Ų187136 Ų13687%0.87478%0.784SS**  trans-133.3153.9-174.2-55.2165.3-70.800110.5
300S27.7Very low27Very low110 Ų110139.3 Ų139.377%0.76979%0.788SS**  171.7122.9118.743.80000115.5
301N26.1Very low27.1Very low148 Ų148137.1 Ų137.179%0.79178%0.783SS**  trans21.6120.9140.9-48.7-14000121.3
302L30.3Very low27.2Very low156 Ų156138.1 Ų138.182%0.81778%0.784SS**  170.4116.4103-93.2156.1000115.4
303T27.4Very low27.3Very low107 Ų107139.7 Ų139.766%0.65679%0.788SS**  trans41.9123.814052.70000124.6
304N26.1Very low27.3Very low138 Ų138137.7 Ų137.774%0.73879%0.787SS**  97.2129.9123.7-72-5000124
305Q29.5Very low27.2Very low173 Ų173137.5 Ų137.581%0.80879%0.79SS**  trans90110141-77.8178.614.700123.3
306S27.4Very low27.2Very low99 Ų99139.4 Ų139.469%0.69279%0.794SS**  trans62.3110.4130.963.40000123.7
307E26.2Very low27.3Very low193 Ų193139.8 Ų139.890%0.90279%0.792SS**  trans71.1154.1132.8-63.4-151140.500122.1
308P31.4Very low27.5Very low112 Ų112139.1 Ų139.173%0.72779%0.788SS**  trans-126.5149.9-153.539.4-23000116.5
309V29.2Very low27.3Very low145 Ų145142.4 Ų142.488%0.87978%0.784SS**  trans-140.1150.7162.3-173.60000110.4
310H25.6Very low27.5Very low173 Ų173139.2 Ų139.280%0.80178%0.781SS**  trans-47.7157.6166.6-90-113.3000114.3
311S26.2Very low27.3Very low89 Ų89140.7 Ų140.762%0.62279%0.785SS**  cis179.8137.5-16.249.90000109.8
312D27Very low27.3Very low148 Ų148137 Ų13779%0.79178%0.782SS**  trans-169.5161.4136.4-122.6-30.9000115.7
313L26.1Very low27.1Very low151 Ų151137.8 Ų137.879%0.79178%0.781SS**  trans33.8103.6156.8-64.2170.8000120.5
314G28.8Very low27.1Very low82 Ų82138.1 Ų138.185%0.84579%0.785SS**  trans-137.5127.9157.300000111.4
315L27.4Very low27.4Very low169 Ų169137.3 Ų137.389%0.88579%0.79SS**  trans-82.2141.1178.9-76.7159.6000111.5
316N30.3Very low27.4Very low155 Ų155133.8 Ų133.883%0.82979%0.79SS**  -172.9109.8128.4-95.5-30.1000111.8
317Q26.3Very low27.4Very low167 Ų167135.2 Ų135.278%0.7880%0.799SS**  trans-88.9134.3151.7-73.6-178.4-18.800107.7
318V28.7Very low27.5Very low122 Ų122132 Ų13274%0.73980%0.797SS**  trans-114.698.4165.3-179.50000108.3
319F21.6Very low27.4Very low166 Ų166132.6 Ų132.673%0.72880%0.801SS**  trans-82.9136.9157.6-87.3-93.1000108.6
320C27.2Very low27.2Very low120 Ų120131.2 Ų131.281%0.81180%0.797SS**  trans-122.7138.2158.4-67.40000108.7
321V24Very low27.3Very low142 Ų142133.1 Ų133.186%0.86180%0.804SS**  trans-122.5138.8-171.5175.90000109.2
322G26.7Very low27.4Very low69 Ų69137.4 Ų137.471%0.71182%0.816SS**  trans134.1130.3179.200000111.2
323H26.8Very low27.4Very low173 Ų173135.7 Ų135.780%0.80181%0.813SS**  cis-150.5130.80.3-158-63000109.2
324P27.4Very low27.5Very low115 Ų115138 Ų13875%0.74782%0.82SS**  trans-81149.6170.933.2-33.2000110.7
325S31Very low27.3Very low121 Ų121139.5 Ų139.585%0.84681%0.812SS**  trans-146.389.6171.748.30000111.1
326A30Very low27.4Very low98 Ų98143.1 Ų143.181%0.8182%0.816SS**  trans-125.9116.817200000109.1
327C27.9Very low27.3Very low130 Ų130138.7 Ų138.788%0.87881%0.807SS**  trans-95.6106179.5-69.70000110.9
328C27.8Very low27.3Very low126 Ų126138 Ų13885%0.85181%0.807SS**  trans-129.1109.2164.6-77.40000109
329P28.9Very low27.3Very low124 Ų124140 Ų14081%0.80581%0.808SS**  trans-93.8107.8-178.733.5-30.2000112
330S25.9Very low27.7Very low116 Ų116137.8 Ų137.881%0.81180%0.804SS**  trans-17298.6156.4-90.30000111.3
331F27.4Very low27.7Very low212 Ų212141.1 Ų141.193%0.9380%0.801SS**  -176.2146.7126.8-119.3-96.8000109.2
332M28.4Very low27.9Very low180 Ų180141.5 Ų141.589%0.88780%0.797SS**  trans-87.6148.3176.9-83.5-169.116500111.8
333P26.6Very low28.3Very low112 Ų112143.6 Ų143.673%0.72780%0.798SS**  trans-82150178.633.9-34.9000112.5
334Q29.1Very low28.5Very low200 Ų200144.5 Ų144.594%0.93580%0.802SS**  trans-120.6144.8149.6-75.1-168.6-17.300109
335T23.8Very low28.6Very low112 Ų112144 Ų14469%0.68780%0.802SS**  trans-109.7127.3-163.249.10000112.7
336Y29.7Very low28.3Very low246 Ų246145.8 Ų145.897%0.96580%0.801SS**  trans-174154.3147-76.7-58.8000106.5
337G28.1Very low28.1Very low62 Ų62148.8 Ų148.864%0.63980%0.8SS**  cis170.966.8-1.200000114.8
338I25.8Very low28.1Very low152 Ų152151.5 Ų151.578%0.77980%0.797SS**  trans71.7131.3146.9-62.4174.7000119.9
339Q28.8Very low28.1Very low164 Ų164151.4 Ų151.477%0.76679%0.792SS**  trans70.5152.6160.6-74.5169.39.600118.6
340N29.9Very low28.1Very low120 Ų120153.2 Ų153.264%0.64280%0.795SS**  cis-159.1160.1-0.8-119.9-20.3000114.9
341Y28.3Very low28.3Very low190 Ų190151 Ų15175%0.74579%0.791SS**  trans60.9100.5155.2-84.9-104.8000125.2
342I28.6Very low28.1Very low149 Ų149150.9 Ų150.976%0.76479%0.79SS**  53.6139.1111.5-64.5174000122.8
343P34.8Very low28Very low114 Ų114150.5 Ų150.574%0.7479%0.79SS**  trans-128.1-177.4-169.746.3-32.3000117.7
344Q29.8Very low27.8Very low191 Ų191150.4 Ų150.489%0.89379%0.792SS**  trans-171.4161.1157.1-104.9171.432.100109.9
345S29.5Very low27.5Very low106 Ų106147.7 Ų147.774%0.74179%0.788SS**  cis-160.8-173.20.349.80000112.8
346L26.4Very low27.5Very low157 Ų157146.3 Ų146.382%0.82279%0.788SS**  trans-100.2169-170.5-79.777.6000114.1
347M25.4Very low27.5Very low161 Ų161140 Ų14079%0.79378%0.778SS**  cis136.4106.4-15.2179.3-172.4161.700113.1
348K26.7Very low27.2Very low188 Ų188143.1 Ų143.182%0.81778%0.784SS**  trans-174.6152.7162.9-104.7162.6-176.21790109.8
349V29.1Very low27.3Very low123 Ų123144 Ų14475%0.74579%0.79SS**  cis85.711911.8-176.10000113.9
350N27.5Very low27.2Very low162 Ų162140.2 Ų140.287%0.86679%0.786SS**  cis-158.2172.26.3-157.9-5.2000113.1
351G30.6Very low27.2Very low70 Ų70140.1 Ų140.172%0.72279%0.792SS**  trans-176.6137.2170.400000116.5
352K24Very low27.2Very low210 Ų210139.1 Ų139.191%0.91380%0.798SS**  trans-93.3147.1-169.1-59172.7178.4174.80116
353I26.2Very low27Very low171 Ų171137.8 Ų137.888%0.87780%0.797SS**  trans-143157.2137.5-66.5-166.9000108.5
354S20.9Very low26.6Very low111 Ų111141.4 Ų141.478%0.77680%0.804SS**  trans-150.3132.6-175.3154.80000113.2
355V24.4Very low26.2Very low142 Ų142138.5 Ų138.586%0.86180%0.799SS**  trans-146.8155.8159.1-169.30000109.2
356A22.3Very low26Very low83 Ų83140.1 Ų140.169%0.68681%0.805SS**  trans-123-151.2-176.700000111.4
357P30.2Very low25.7Very low114 Ų114137.7 Ų137.774%0.7480%0.797SS**  -126.1-174.9-81.136-20.5000115.3
358T22.9Very low25.6Very low127 Ų127139.6 Ų139.678%0.77980%0.803SS**  trans86.6116.1152.1-500000119.5
359L28.1Very low25.5Very low172 Ų172136.9 Ų136.990%0.90180%0.797SS**  trans-163.8150.9133.2-108168.5000110.8
360A24.7Very low25.2Very low83 Ų83137.8 Ų137.869%0.68680%0.802SS**  trans-161.6-175.7179.300000107.9
361P30.8Very low25.2Very low119 Ų119135.6 Ų135.677%0.77380%0.797SS**  cis-126.1169.3-18.540.1-26.7000113.1
362I28.5Very low24.8Very low169 Ų169140.1 Ų140.187%0.86780%0.804SS**  trans-136.1147154.3-63.9-173.7000109.9
363T24.7Very low24.8Very low121 Ų121134.8 Ų134.874%0.74279%0.793SS**  trans-59.1143.8-172.853.50000116.5
364Q25.7Very low24.9Very low190 Ų190133.7 Ų133.789%0.88879%0.789SS**  -159.8131.3107.9-108.9174.5600111.8
365T21.7Very low25.1Very low129 Ų129134.5 Ų134.579%0.79178%0.784SS**  trans-98.7135.4170.914.20000109.6
366T24.6Very low25.2Very low141 Ų141138.3 Ų138.387%0.86579%0.785SS**  trans-122.3114.1160.6-32.70000107.9
367V21Very low25.4Very low106 Ų106142.2 Ų142.264%0.64278%0.783SS**  trans-113.9120175.2169.70000106.1I369V367-I369 HydrophobicContact CG1-CD1 3.68Å; V367-I369 HydrophobicContact CG1-CG1 3.75Å
368E23.4Very low25.1Very low200 Ų200146.8 Ų146.894%0.93579%0.791SS**  trans-101120.5168.7-119.9177.2-172.800109.3
369I23.7Very low25.5Very low132 Ų132146.8 Ų146.868%0.67779%0.785SS**  trans-114.2137.7179.8-77.4155.4000107.1V367 P371V367-I369 HydrophobicContact CG1-CD1 3.68Å; V367-I369 HydrophobicContact CG1-CG1 3.75Å; I369-P371 VanDerWaalsContact O-CD 3.25Å; I369-P371 WeakPolarHBondContact O-CD 3.36Å
370T23.4Very low26Very low141 Ų141144.6 Ų144.687%0.86578%0.781SS**  trans-88.3120.3164.849.90000110.6
371P27.3Very low26.3Very low117 Ų117144.4 Ų144.476%0.7679%0.788SS**  trans-107.2157.915836.7-30.8000111.6I369I369-P371 VanDerWaalsContact O-CD 3.25Å; I369-P371 WeakPolarHBondContact O-CD 3.36Å
372L23.4Very low26.2Very low165 Ų165142.1 Ų142.186%0.86479%0.785SS**  trans-106.9158.8174.5-85.9162000111.2
373S23.5Very low26.3Very low98 Ų98142.9 Ų142.969%0.68579%0.785SS**  trans52.4115153.2550000120.6
374D27.8Very low26.7Very low147 Ų147145.5 Ų145.579%0.78679%0.789SS**  179.1135.4111.8-83.6-15.7000108.5
375L24.4Very low27Very low128 Ų128140 Ų14067%0.6778%0.783SS**  cis95.870.123.4-148.6178.3000115.2Y377L375-Y377 HydrophobicContact CD2-CD2 3.9Å; L375-Y377 HydrophobicContact CD2-CE2 4.11Å
376Y27.4Very low27.4Very low223 Ų223140.9 Ų140.988%0.87578%0.783SS**  trans-140.4124.2150-87.2-92.8000108.1
377Y25.6Very low27.7Very low165 Ų165139.8 Ų139.865%0.64778%0.781SS**  84.4111.156-98.5-64.3000116.1L375 I379L375-Y377 HydrophobicContact CD2-CD2 3.9Å; L375-Y377 HydrophobicContact CD2-CE2 4.11Å; Y377-I379 HydrophobicContact CD1-CD1 3.77Å; Y377-I379 HydrophobicContact CD1-CG1 3.78Å; Y377-I379 HydrophobicContact CE1-CD1 3.68Å; Y377-I379 HydrophobicContact CE1-CG1 4.07Å
378F25.1Very low27.8Very low209 Ų209140.5 Ų140.592%0.91779%0.789SS**  trans-147.1147.4150.1-121.4-88000108.4
379I31.1Very low28.1Very low127 Ų127138.9 Ų138.965%0.65179%0.786SS**  trans-134.3-171.6-167.4-13.6179.5000111.4Y377Y377-I379 HydrophobicContact CD1-CD1 3.77Å; Y377-I379 HydrophobicContact CD1-CG1 3.78Å; Y377-I379 HydrophobicContact CE1-CD1 3.68Å; Y377-I379 HydrophobicContact CE1-CG1 4.07Å
380P39.3Very low28.2Very low127 Ų127138 Ų13883%0.82579%0.787SS**  -128.5-172.8-121.745.2-27.1000116.1
381G30.2Very low28.5Very low79 Ų79137 Ų13781%0.81478%0.781SS**  trans131.8148.2160.700000114
382G29Very low28.6Very low70 Ų70140.4 Ų140.472%0.72279%0.787SS**  cis167.9148.8-9.100000113.3
383Q31.1Very low28.8Very low186 Ų186135.7 Ų135.787%0.86978%0.778SS**  trans64.3163.9177.4-52.1-171-10.600114.7
384Q32.6Very low29.2Very low176 Ų176138.4 Ų138.482%0.82279%0.785SS**  cis-152.1154.38.8-156.117211.400109.5
385G31.4Very low29.2Very low73 Ų73139.4 Ų139.475%0.75378%0.782SS**  trans157.7115.6173.100000115
386D30.8Very low29.4Very low149 Ų149139 Ų13980%0.79779%0.785SS**  trans-90.2167.1-161-63.2-71.8000117.9
387S30.7Very low29.3Very low118 Ų118136 Ų13683%0.82578%0.779SS**  trans98.4137.8141.479.20000120.5
388C23.8Very low29.1Very low121 Ų121133.6 Ų133.682%0.81879%0.785SS**  trans-120.2145.6161.4-63.70000107.6
389L29.5Very low29.1Very low165 Ų165129.3 Ų129.386%0.86478%0.781SS**  trans171.5123.5137-93.5161.3000112.9
390T24.3Very low29.1Very low113 Ų113129.8 Ų129.869%0.69379%0.789SS**  trans21.4121.3139.4-40.20000120.9
391T30.2Very low28.7Very low121 Ų121129.5 Ų129.574%0.74279%0.788SS**  179.5154.8114.726.60000114.5
392Q29.6Very low28.6Very low188 Ų188130.8 Ų130.888%0.87978%0.784SS**  trans13.2144.6150.5-57.8167.7-3.800120.7
393G27.3Very low28.6Very low67 Ų67135.2 Ų135.269%0.69179%0.786SS**  cis132.4105.5-2.100000114.7
394N31.5Very low28.5Very low155 Ų155132.7 Ų132.783%0.82978%0.779SS**  trans-171.6126159.2-96.1-46.4000108.4
395K27.8Very low28.4Very low167 Ų167128.4 Ų128.473%0.72677%0.768SS**  68.1119.587-150.6-176.4-177.5-176.50111.9
396V29.5Very low28.4Very low119 Ų119134.2 Ų134.272%0.72177%0.767SS**  -151.6128.260.51670000108
397E25Very low28.5Very low161 Ų161132.2 Ų132.275%0.75276%0.756SS**  74.5160.885.7-134.3168.5172.600115.7
398C22Very low28.6Very low115 Ų115132.7 Ų132.778%0.77775%0.75SS**  trans-102.7159.1-149.7-530000116.2
399S24.5Very low29.1Very low119 Ų119134 Ų13483%0.83275%0.749SS**  trans143.2158.3134.8-63.90000114.3
400V31.9Very low29.2Very low136 Ų136135 Ų13582%0.82475%0.749SS**  trans-98.6150-179-164.40000110.4
401P29.7Very low29.5Very low122 Ų122135.1 Ų135.179%0.79275%0.754SS**  trans-113.9148.115236-27.8000112.4
402S27.6Very low29.3Very low106 Ų106137.3 Ų137.374%0.74176%0.755SS**  trans-126.4-153.1-178.758.90000110.8
403E29Very low29.3Very low163 Ų163134.1 Ų134.176%0.76275%0.754SS**  trans80150.6174.1-62.2-170.3-16200117
404N30Very low29.2Very low133 Ų133141.3 Ų141.371%0.71176%0.76SS**  cis-140.7156.34.9-116.8-43.6000109.3
405S30.7Very low28.9Very low85 Ų85143.8 Ų143.859%0.59476%0.76SS**  cis-154.5-155.96.952.30000108.6
406R31.5Very low29Very low196 Ų196144 Ų14474%0.7476%0.761SS**  cis-167.2172.212.9-140.3-168.4165.972.811.9112.5
407D32Very low28.8Very low106 Ų106143.5 Ų143.557%0.56776%0.763SS**  trans18.2138.3144.3-61.50.7000120.9
408N33.7Very low28.9Very low128 Ų128139.6 Ų139.668%0.68477%0.766SS**  cis-163.9166.25.2-128.2-35.6000115.8
409N33.2Very low29.2Very low150 Ų150143.7 Ų143.780%0.80277%0.773SS**  trans79.4157.6157.6-76.6-19.2000123.5
410Q31.6Very low29.3Very low186 Ų186143.8 Ų143.887%0.86977%0.774SS**  trans-112.5-175.7-161.6-60.2172.3-14.700110.8
411S31Very low29Very low114 Ų114142.8 Ų142.880%0.79777%0.768SS**  cis-165.6176.932.8610000115.8
412H26.7Very low28.9Very low167 Ų167144.2 Ų144.277%0.77377%0.769SS**  trans-70.1156.8-169.2-73.3-172000117.9
413S29.1Very low28.9Very low122 Ų122144.4 Ų144.485%0.85377%0.77SS**  -164.9167.3113.545.40000112.4
414R24.3Very low28.6Very low217 Ų217141.4 Ų141.482%0.81977%0.773SS**  trans-122.4167.5-177.7-50.3172.7-172.2152.50.4109.3
415Y27.1Very low28.4Very low207 Ų207144.2 Ų144.281%0.81278%0.779SS**  -174116.7125.9-109.5-82000113.2
416F29.4Very low28Very low173 Ų173146.4 Ų146.476%0.75979%0.789SS**  trans59.8102144.2-80.7-119000123.9
417S25Very low27.8Very low108 Ų108145.8 Ų145.876%0.75580%0.795SS**  41.7131.111763.70000123.5
418G28Very low27.3Very low79 Ų79146.2 Ų146.281%0.81481%0.806SS**  trans-158142.4152.200000109.9
419E26.3Very low26.9Very low201 Ų201146.6 Ų146.694%0.93981%0.813SS**  trans-106146.2-163.6-59.4173.7127.900114.7
420S26.9Very low26.4Very low120 Ų120146.7 Ų146.784%0.83981%0.812SS**  trans-164.9148.9134.1-169.50000109.5
421V26.1Very low25.8Very low115 Ų115143.6 Ų143.670%0.69781%0.811SS**  trans-114.5179.7-177.9-68.30000112.2
422D26.8Very low25.2Very low153 Ų153144.4 Ų144.482%0.81881%0.811SS**  trans71.8136.2169.7-59.2-28000117.8
423S28.1Very low24.9Very low110 Ų110145.4 Ų145.477%0.76981%0.813SS**  cis-148.3148.1-6.656.80000111.7
424A22.6Very low24.6Very low99 Ų99146.6 Ų146.682%0.81881%0.809SS**  trans-122.1128.2167.100000108.5
425F26.2Very low24.4Very low193 Ų193144.6 Ų144.685%0.84681%0.809SS**  trans-127.5120.8175-117.1-85.7000109.7
426T23.1Very low24.1Very low131 Ų131140.8 Ų140.880%0.80481%0.813SS**  trans-120.5117.8170.6490000108.6
427E27.4Very low23.7Very low183 Ų183138.1 Ų138.186%0.85582%0.816SS**  trans-125.6145.9151.9-77.4-150.5137.300109.3
428S20.6Very low23.7Very low114 Ų114138 Ų13880%0.79782%0.821SS**  trans-132.3118.7-177.2-66.30000108.7
429V25.8Very low23.4Very low137 Ų137142.9 Ų142.983%0.8382%0.823SS**  trans-130.5141.9165.4-1750000109.9
430L21.5Very low23.1Very low152 Ų152140.3 Ų140.380%0.79682%0.816SS**  trans-61.6148.7-167.8-67.261.5000113.8
431S20.8Very low23Very low121 Ų121145 Ų14585%0.84682%0.821SS**  -165.8150.3108-800000112
432V18.6Very low22.8Very low130 Ų130147.2 Ų147.279%0.78883%0.826SS**  trans-143.2143.7-172.6170.40000109.7
433K20.3Very low22.6Very low189 Ų189144.6 Ų144.682%0.82282%0.82SS**  trans69.6155.5173.3-88.1171.1180178.20115
434L21.4Very low22.3Very low146 Ų146145.9 Ų145.976%0.76482%0.818SS**  cis-138.3-175.512.3-125.9172000111.9
435Q20.1Very low22.3Very low175 Ų175147.2 Ų147.282%0.81881%0.81SS**  trans-88.4150.7179.4-59151-10100113.1
436S22.2Very low22.1Very low127 Ų127146.5 Ų146.589%0.88881%0.807SS**  trans-166.1166.4135.258.60000111
437S20.1Very low22.3Very low118 Ų118147.9 Ų147.983%0.82581%0.809SS**  trans-127.5139.2-178.854.20000111.1
438A24.6Very low22.2Very low105 Ų105147.5 Ų147.587%0.86881%0.807SS**  trans-172.7158.3150.500000111.4
439E22.2Very low22.4Very low181 Ų181150 Ų15085%0.84681%0.806SS**  trans-74.9160.1-170.2-66.1147169.400115.9
440D20.9Very low22.4Very low148 Ų148149.6 Ų149.679%0.79181%0.807SS**  trans31.4124.9143.8-59.7-3.3000121.9
441F24.1Very low22.3Very low218 Ų218146.7 Ų146.796%0.95680%0.798SS**  -160.5167.4109.4-124.2-96.6000110.9
442M22Very low22.4Very low162 Ų162151.3 Ų151.380%0.79880%0.798SS**  trans-103.6155-174.5-144.3-149.9-5300113.6
443S22.6Very low22.8Very low98 Ų98151.6 Ų151.669%0.68579%0.791SS**  trans73.4150.8170.7-46.80000115.2
444D22.3Very low23Very low136 Ų136149.7 Ų149.773%0.72779%0.785SS**  cis-157.3173.49.9-141.9-20.7000114.3
445L22.5Very low23.2Very low127 Ų127150.4 Ų150.467%0.66579%0.789SS**  trans67.5127.9158.7-93.569.7000122.6
446F22.1Very low23.3Very low179 Ų179151.9 Ų151.979%0.78579%0.793SS**  trans30122.3151.3-62.8-75.1000122.7
447L26.8Very low23.4Very low160 Ų160155 Ų15584%0.83879%0.79SS**  -148.3158105.4-139.773000113.7
448Q25.6Very low23.5Very low174 Ų174155.6 Ų155.681%0.81379%0.789SS**  trans-57.6144.5-166.5-61.5155.2-33.100116.8
449Q23.5Very low23.3Very low166 Ų166155.7 Ų155.778%0.77678%0.783SS**  trans-101.3160.6141-73.3-171.5-9.100109.6C451Q449-C451 PolarHBondContact OE1-SG 3.37Å
450P25.6Very low23.2Very low130 Ų130155.8 Ų155.884%0.84478%0.783SS**  trans-126.5135.8132.635-28.3000112.6
451C20.7Very low23.1Very low90 Ų90157.5 Ų157.561%0.60878%0.784SS**  trans-91.2155.4179.8-49.30000112.1Q449Q449-C451 PolarHBondContact OE1-SG 3.37Å
452Y23Very low22.9Very low218 Ų218155.1 Ų155.186%0.85578%0.776SS**  trans178.8150.6139.3-89.9-53.5000107.9
453H26Very low22.9Very low136 Ų136153 Ų15363%0.6377%0.772SS**  cis-151.6159.29.3-142.1-9.4000112
454Q24.6Very low22.7Very low149 Ų149156.3 Ų156.370%0.69678%0.779SS**  trans52.1105154-71.7170.650.500120.3
455N26.6Very low22.7Very low161 Ų161155.8 Ų155.886%0.86178%0.78SS**  -145.3105.5127.6-124.1-52000110.2K457N455-K457 PolarHBondContact O-N 2.77Å
456K22.2Very low22.8Very low207 Ų207154.4 Ų154.490%0.978%0.781SS**  trans-76.3103.8179.2-79.1-175.6176.2179.30109.8
457K24.4Very low22.8Very low191 Ų191150.5 Ų150.583%0.8377%0.774SS**  trans-102118.1157.7-75.4-171.8175.7-1790109.4N455 C459N455-K457 PolarHBondContact O-N 2.77Å; K457-C459 PolarHBondContact O-N 3.27Å
458T20.8Very low22.5Very low131 Ų131150.6 Ų150.680%0.80478%0.775SS**  trans-71.1111.1174.727.40000110.4Q460T458-Q460 PolarHBondContact O-N 2.89Å
459C20.3Very low22.4Very low108 Ų108147 Ų14773%0.7377%0.769SS**  trans-7295.3166-66.10000109.6K457 F461K457-C459 PolarHBondContact O-N 3.27Å; C459-F461 HydrophobicContact CB-CD2 4.26Å; C459-F461 HydrophobicContact CB-CE2 3.99Å; C459-F461 PolarHBondContact O-N 3.39Å; C459-F461 VanDerWaalsContact O-N 3.16Å
460Q19.9Very low22.3Very low183 Ų183145.8 Ų145.886%0.85577%0.773SS**  trans-72.4100.4164.3-76.9-175.6-40.300109.1T458 Q462T458-Q460 PolarHBondContact O-N 2.89Å; Q460-Q462 PolarHBondContact O-N 2.64Å; Q460-Q462 VanDerWaalsContact O-N 3.14Å
461F20.1Very low22.2Very low183 Ų183150.1 Ų150.180%0.80377%0.774SS**  trans-74.795.8164.8-78.5-86000109C459 T463C459-F461 HydrophobicContact CB-CD2 4.26Å; C459-F461 HydrophobicContact CB-CE2 3.99Å; C459-F461 PolarHBondContact O-N 3.39Å; C459-F461 VanDerWaalsContact O-N 3.16Å; F461-T463 PolarHBondContact O-N 3.33Å; F461-T463 VanDerWaalsContact O-N 3.17Å
462Q20.2Very low22.1Very low168 Ų168150.8 Ų150.879%0.78578%0.779SS**  trans-81.889.7172.7-173.3169-2.100109.8Q460 M464Q460-Q462 PolarHBondContact O-N 2.64Å; Q460-Q462 VanDerWaalsContact O-N 3.14Å; Q462-M464 PolarHBondContact O-N 3.24Å
463T20.6Very low22.1Very low117 Ų117147 Ų14772%0.71878%0.778SS**  trans-6693.3175.4-49.80000110.5F461 V465F461-T463 PolarHBondContact O-N 3.33Å; F461-T463 VanDerWaalsContact O-N 3.17Å; T463-V465 HydrophobicContact CG2-CG2 3.9Å; T463-V465 PolarHBondContact O-N 3.1Å; T463-V465 VanDerWaalsContact O-N 3.07Å
464M19.9Very low21.9Very low169 Ų169145.9 Ų145.983%0.83379%0.785SS**  trans-75.892.2168-69.5-152.4-59.300109.8Q462 S466Q462-M464 PolarHBondContact O-N 3.24Å; M464-S466 PolarHBondContact O-N 2.83Å; M464-S466 VanDerWaalsContact O-N 3.14Å
465V22.2Very low21.8Very low125 Ų125144.3 Ų144.376%0.75879%0.79SS**  trans-70.7102.7171.1-177.30000108.8T463T463-V465 HydrophobicContact CG2-CG2 3.9Å; T463-V465 PolarHBondContact O-N 3.1Å; T463-V465 VanDerWaalsContact O-N 3.07Å
466S22.8Very low21.6Very low98 Ų98141.4 Ų141.469%0.68578%0.782SS**  trans-77.1134.7160.9-175.10000108.8M464M464-S466 PolarHBondContact O-N 2.83Å; M464-S466 VanDerWaalsContact O-N 3.14Å
467P23.8Very low21.6Very low97 Ų97138.1 Ų138.163%0.6378%0.78SS**SBendtrans-64.4162.7161.230.3-33.8000110.2
468N20.8Very low21.5Very low162 Ų162138.3 Ų138.387%0.86678%0.784SS**SBendtrans72.849.7167.7-53.6-14.8000118.2
469S22.5Very low21.7Very low98 Ų98137.1 Ų137.169%0.68578%0.781SS**  trans-153.6136.3139.155.80000111.5
470V21.3Very low21.8Very low140 Ų140138.6 Ų138.685%0.84879%0.791SS**  trans-112.4107.8172.1177.50000107.6
471Y23.1Very low22.1Very low222 Ų222139 Ų13987%0.87179%0.793SS**  trans-136.6127.9166.4-77.3-75.2000108.8
472S19.9Very low22.3Very low103 Ų103141.5 Ų141.572%0.7280%0.797SS**  trans-129.2110.6172.3-178.80000108.5
473V22.6Very low22.5Very low138 Ų138138.8 Ų138.884%0.83680%0.796SS**  trans-140104.5159.5-177.90000106.3
474C21.1Very low22.7Very low114 Ų114138.9 Ų138.977%0.7780%0.802SS**  trans-87.1132.8168-71.50000109.4
475S22.7Very low22.9Very low115 Ų115134.8 Ų134.880%0.80480%0.795SS**  trans-146.959.3163.164.20000110.6
476S21.8Very low23Very low100 Ų100135.2 Ų135.270%0.69980%0.801SS**  trans-111.491.8169.7550000109.4E478S476-E478 PolarHBondContact O-N 2.72Å; S476-E478 VanDerWaalsContact O-N 3.08Å
477T23.6Very low23Very low139 Ų139136 Ų13685%0.85381%0.806SS**  trans-83.367.9173.150.90000110.7
478E22Very low23.2Very low194 Ų194141 Ų14191%0.90782%0.821SS**  trans-86.3100157.5-74.7-166.4142.500108.5S476S476-E478 PolarHBondContact O-N 2.72Å; S476-E478 VanDerWaalsContact O-N 3.08Å
479S25.6Very low23.3Very low107 Ų107142.5 Ų142.575%0.74882%0.82SS**  trans-120.368.817746.50000111.6E481S479-E481 PolarHBondContact O-N 2.81Å
480C21.3Very low23.3Very low139 Ų139146 Ų14694%0.93983%0.829SS**  trans-79.882.4165.1-86.40000111
481E25.9Very low23.6Very low190 Ų190146.4 Ų146.489%0.88883%0.826SS**  trans-108.5162.3162-73.5-139.7117.400112.1S479S479-E481 PolarHBondContact O-N 2.81Å
482R24.2Very low23.7Very low236 Ų236141 Ų14189%0.89182%0.816SS**  trans-101.7127.2-154.9-76.2179.4166.7177.9-4115.1
483S24.2Very low24Very low111 Ų111143.3 Ų143.378%0.77682%0.82SS**  trans57.4128.313567.90000121
484S25Very low24.1Very low119 Ų119141.7 Ų141.783%0.83282%0.816SS**  trans-135.3114.7150.652.20000110.8
485A24Very low24.5Very low84 Ų84143.3 Ų143.369%0.69481%0.812SS**  trans62.8157-175.800000114.6
486P25.4Very low24.6Very low134 Ų134147.8 Ų147.887%0.8781%0.811SS**  cis-100.6161.344.636.3-37.8000115.8
487S21.4Very low24.9Very low113 Ų113148 Ų14879%0.7981%0.812SS**  trans-81.5122.8178.1-54.90000112.8
488Q28.1Very low25.2Very low202 Ų202147 Ų14794%0.94480%0.802SS**  trans-151.3150.6149.7-117.2172.356.100112.1
489K22.9Very low25.4Very low195 Ų195148.1 Ų148.185%0.84880%0.798SS**  trans-86.9142.1-173.5-56.2168.1-179173.40110.7
490L23.6Very low25.5Very low170 Ų170151.4 Ų151.489%0.8980%0.801SS**  -160.8166.3122.3-133.675000112.5
491L26.5Very low25.6Very low150 Ų150152.1 Ų152.179%0.78580%0.796SS**  trans-101.2135.8-176.7-104.773.5000112.5
492V25.6Very low26.2Very low109 Ų109147.6 Ų147.666%0.66178%0.783SS**  50.2119.2123.1-178.40000120.1
493N26.9Very low26.2Very low150 Ų150143.2 Ų143.280%0.80278%0.776SS**  trans67.2137.7155-65.6-16.4000119.8
494S25Very low26.4Very low105 Ų105144.8 Ų144.873%0.73478%0.781SS**  cis109.810213.9-177.20000114.4
495Q28.5Very low26.6Very low147 Ų147144.8 Ų144.869%0.68777%0.772SS**  trans-167.7152.4150-75.7-146.113.100107.6
496R24.5Very low26.7Very low210 Ų210147.2 Ų147.279%0.79277%0.773SS**  cis-165.9144.3-14.2-113.3-174-175.2148.5-13.2108.5
497S28.2Very low26.8Very low104 Ų104148.7 Ų148.773%0.72777%0.768SS**  trans-163.7116.3135-1630000111.9
498N29.5Very low26.9Very low118 Ų118147.5 Ų147.563%0.63176%0.76SS**  trans39.3114.8146.1-62.7-35.3000120.4
499R27.3Very low27Very low217 Ų217145.5 Ų145.582%0.81976%0.756SS**  70.2130.584.2-70.6175.1-179.3-174.2-0.1112.1
500Q27.7Very low27.1Very low176 Ų176142.2 Ų142.282%0.82275%0.748SS**  cis-153.5171.814.4-122.8158.5-44.300111.9
501N22.4Very low27.4Very low154 Ų154140.7 Ų140.782%0.82474%0.74SS**  trans-149.9169.5175.5-135.2-1.1000106.3
502P38.9Very low27.5Very low95 Ų95140.6 Ų140.662%0.61773%0.734SS**  cis-135.8-156.1-8.135.2-11.5000113.1
503L24.5Very low27.6Very low144 Ų144142.8 Ų142.875%0.75474%0.742SS**  trans75.7116.2158.6-66.4159.8000120.2
504V29.5Very low27.4Very low144 Ų144145.8 Ų145.887%0.87374%0.742SS**  -163.7159.8112.5141.90000109
505N27.7Very low27.5Very low120 Ų120146.4 Ų146.464%0.64275%0.746SS**  trans-97.1160.3-167.2-49.4-28.3000113.5
506N26.4Very low27.4Very low134 Ų134144.1 Ų144.172%0.71775%0.747SS**  trans62160.1144.8-63.615.4000117.8
507E27.7Very low27.3Very low165 Ų165139 Ų13977%0.77174%0.743SS**  cis-148.1176.6-1.3-135.2150.2-126.800111.9
508S23.9Very low27.1Very low88 Ų88142 Ų14262%0.61575%0.751SS**  trans-57.3155.6179.647.70000116.6
509N29.6Very low26.7Very low161 Ų161144.4 Ų144.486%0.86176%0.758SS**  trans-150.8135.3134.4-115.2-43.9000111.8
510D25Very low26.5Very low126 Ų126142.6 Ų142.667%0.67476%0.763SS**  trans-84.8165.4-176.5-62-86.2000113.1
511N29.9Very low26.1Very low137 Ų137141.1 Ų141.173%0.73376%0.756SS**  -179.9129.4107.3-92.6-63000113.9
512F27.9Very low25.9Very low148 Ų148140.1 Ų140.165%0.64976%0.756SS**  trans41.2119146.3-76.8-107.8000120.9
513N28Very low25.1Very low156 Ų156140.6 Ų140.683%0.83476%0.761SS**  -151.7154.787-117.9-36.8000114.6
514R24.5Very low24.9Very low212 Ų212142.3 Ų142.380%0.877%0.765SS**  trans-82.5167.9168.5-59.5171.8172.4169.4-4.8108.1
515S25.9Very low24.5Very low118 Ų118145.6 Ų145.683%0.82577%0.768SS**  cis-156.7178.219.460.30000108.8
516S25.9Very low24.2Very low100 Ų100144.4 Ų144.470%0.69978%0.775SS**  cis-150.1141.37.551.40000112.2
517S22.8Very low23.9Very low102 Ų102143.7 Ų143.771%0.71378%0.779SS**  trans-7.9129.115953.50000120.4
518N23.6Very low23.6Very low168 Ų168144 Ų14490%0.89879%0.785SS**  -153.1125.5110.9-104.5-15000110.9
519Q22Very low23.8Very low167 Ų167145 Ų14578%0.7879%0.789SS**  trans-123.2134172.4-90.5-176.7-46.500109
520I22.2Very low23.5Very low180 Ų180144 Ų14492%0.92379%0.79SS**  trans-132143.9149.8-62.6-176.2000105.8
521Q19.3Very low23.3Very low145 Ų145145.6 Ų145.668%0.67880%0.798SS**  trans-140.7153.7-163.6-166.2-174.6-4.500110
522T19.9Very low22.9Very low132 Ų132144.7 Ų144.781%0.8180%0.803SS**  trans69.2155.5178.376.50000113.8
523S20.9Very low22.7Very low105 Ų105149.5 Ų149.573%0.73482%0.818SS**  cis-117.7143.719.155.40000116
524E19.5Very low22.4Very low181 Ų181145.2 Ų145.285%0.84681%0.811SS**  trans-73.3156.4156-62.6166.1100.400110.7
525F22.8Very low22.4Very low213 Ų213140.5 Ų140.593%0.93481%0.811SS**  trans-150.4157146.6-108.5-74.7000110
526A20.7Very low22.3Very low95 Ų95141.5 Ų141.579%0.78581%0.812SS**  trans-103.4175.5-157.700000115.8
527C20.7Very low22.4Very low118 Ų118141.6 Ų141.680%0.79781%0.808SS**  trans-56.9159-172.9-44.50000116.2
528L21Very low22.5Very low172 Ų172140.3 Ų140.390%0.90181%0.811SS**  -167148108-97.3171.1000111.2
529P26.8Very low22.9Very low108 Ų108135.7 Ų135.770%0.70180%0.803SS**  trans-109.7149.8178.938.9-30.8000114
530T23.9Very low23.8Very low141 Ų141134.5 Ų134.587%0.86580%0.8SS**  trans-153.2135.3161.747.10000111.1
531D20.5Very low24.6Very low160 Ų160132.6 Ų132.686%0.85679%0.791SS**  trans-68.7139.5170.6-50.7-89000112.4
532S23Very low26Very low118 Ų118128.4 Ų128.483%0.82577%0.773SS**  trans-174.6152.6145.9-87.60000113.1G534S532-G534 PolarHBondContact O-N 3.08Å
533Y22Very low27.5Very low248 Ų248128.4 Ų128.497%0.97377%0.772SS**  trans-43.5125.8173.7-72.7-104.2000114
534G23.4Very low29.2Very low67 Ų67125.1 Ų125.169%0.69176%0.755SS**  trans-162.8126.9173.100000113.3S532 T536S532-G534 PolarHBondContact O-N 3.08Å; G534-T536 PolarHBondContact O-N 3.44Å
535S23.7Very low31Very low113 Ų113120.4 Ų120.479%0.7974%0.739SS**  trans-68.9116.4175.3179.40000111V537S535-V537 PolarHBondContact O-N 2.93Å
536T24.8Very low32.7Very low139 Ų139116.3 Ų116.385%0.85373%0.731SS**  trans-78.584176.6350000111.5G534 G538G534-T536 PolarHBondContact O-N 3.44Å; T536-G538 PolarHBondContact O-N 3.43Å
537V26.7Very low34.1Very low102 Ų102117.3 Ų117.362%0.61872%0.72SS**  trans-69.794171.6-177.20000109.9S535 G539S535-V537 PolarHBondContact O-N 2.93Å; V537-G539 PolarHBondContact O-N 2.79Å; V537-G539 VanDerWaalsContact O-N 3.11Å
538G26.1Very low35.5Very low75 Ų75116.9 Ų116.977%0.77371%0.706SS**  trans-73.693.617700000112.7T536T536-G538 PolarHBondContact O-N 3.43Å
539G31.6Very low37.3Very low70 Ų70110.9 Ų110.972%0.72268%0.675SS**  trans-81.4133.8172.200000112.7V537V537-G539 PolarHBondContact O-N 2.79Å; V537-G539 VanDerWaalsContact O-N 3.11Å
540I40.3Very low39Very low143 Ų143110.5 Ų110.573%0.73366%0.663SS**  trans-92.6112.1173.1-59.5176.4000109L542I540-L542 HydrophobicContact CG2-CD2 3.96Å; I540-L542 HydrophobicContact CG2-CG 4.26Å; I540-L542 PolarHBondContact O-N 2.55Å
541L39Very low40.8Very low139 Ų139108 Ų10873%0.72864%0.644SS**  trans-77.8113.6171.9-178.763.3000110.1V543L541-V543 HydrophobicContact CD2-CG2 4.43Å; L541-V543 HydrophobicContact CG-CG2 4.17Å
542L49.3Very low42.9Very low58 Ų58102.3 Ų102.330%0.30462%0.616SS.*  trans-98.8127.8173.7-63.6174.6000110I540 L549 T552 L556I540-L542 HydrophobicContact CG2-CD2 3.96Å; I540-L542 HydrophobicContact CG2-CG 4.26Å; I540-L542 PolarHBondContact O-N 2.55Å; L542-L549 HydrophobicContact CB-CD2 3.66Å; L542-T552 HydrophobicContact CD1-CG2 3.67Å; L542-T552 HydrophobicContact CD2-CG2 4.28Å; L542-L556 HydrophobicContact CD1-CD1 4.21Å
543V51.4Low45Very low131 Ų131100.2 Ų100.279%0.79460%0.595SS**  trans-122.3129.3176-175.60000109.1L541L541-V543 HydrophobicContact CD2-CG2 4.43Å; L541-V543 HydrophobicContact CG-CG2 4.17Å
544G56Low47.1Very low36 Ų3691.6 Ų91.637%0.37157%0.566SS.*SBendtrans175.7179-178.800000111.4
545T57.3Low49.1Very low83 Ų8392.9 Ų92.951%0.50955%0.552SS.*  trans-64.5157.5170.961.90000111.2Q547 Q548 L549T545-Q547 PolarHBondContact O-N 3.05Å; T545-Q547 VanDerWaalsContact O-N 3.12Å; T545-Q548 WeakPolarHBondContact O-CA 3.36Å; T545-Q548 WeakPolarHBondContact O-CB 3.5Å; T545-Q548 PolarHBondContact O-N 3.45Å; T545-Q548 VanDerWaalsContact OG1-CD 3.29Å; T545-Q548 VanDerWaalsContact OG1-CG 3.32Å; T545-Q548 WeakPolarHBondContact OG1-CG 3.32Å; T545-Q548 PolarHBondContact OG1-N 3.43Å; T545-Q548 PolarHBondContact OG1-OE1 2.93Å; T545-L549 PolarHBondContact O-N 3.23Å
546V57.7Low50.8Low126 Ų12691.2 Ų91.276%0.76453%0.534SS*.Hα-helixtrans-51.8-39.4179.5-179.30000112.1H550V546-H550 VanDerWaalsContact O-CB 3.29Å; V546-H550 WeakPolarHBondContact O-CB 3.42Å; V546-H550 PolarHBondContact O-N 2.9Å
547Q50.8Low52.5Low117 Ų11789.2 Ų89.255%0.54752%0.515SS..Hα-helixtrans-69.1-38.1176.5-166.665.760.800112.9T545 N551T545-Q547 PolarHBondContact O-N 3.05Å; T545-Q547 VanDerWaalsContact O-N 3.12Å; Q547-N551 PolarHBondContact NE2-OD1 2.91Å; Q547-N551 VanDerWaalsContact O-CB 3.24Å; Q547-N551 WeakPolarHBondContact O-CB 3.44Å; Q547-N551 PolarHBondContact O-N 2.64Å; Q547-N551 PolarHBondContact O-ND2 2.83Å; Q547-N551 PolarHBondContact O-OD1 2.88Å
548Q49.7Very low54.5Low108 Ų10891.1 Ų91.151%0.50551%0.511SS..Hα-helixtrans-67-41.7175.6-74164.6-39.600111.3T545 T552T545-Q548 WeakPolarHBondContact O-CA 3.36Å; T545-Q548 WeakPolarHBondContact O-CB 3.5Å; T545-Q548 PolarHBondContact O-N 3.45Å; T545-Q548 VanDerWaalsContact OG1-CD 3.29Å; T545-Q548 VanDerWaalsContact OG1-CG 3.32Å; T545-Q548 WeakPolarHBondContact OG1-CG 3.32Å; T545-Q548 PolarHBondContact OG1-N 3.43Å; T545-Q548 PolarHBondContact OG1-OE1 2.93Å; Q548-T552 WeakPolarHBondContact O-CB 3.28Å; Q548-T552 PolarHBondContact O-N 2.71Å; Q548-T552 PolarHBondContact O-OG1 3.29Å
549L59Low55.8Low47 Ų4790.9 Ų90.925%0.24649%0.49CS..Hα-helixtrans-64.5-47.9175.7-65.7176.8000111L542 T545 N551 T552 L553L542-L549 HydrophobicContact CB-CD2 3.66Å; T545-L549 PolarHBondContact O-N 3.23Å; L549-N551 PolarHBondContact O-N 3.44Å; L549-T552 PolarHBondContact O-N 3.31Å; L549-L553 WeakPolarHBondContact O-CB 3.07Å; L549-L553 PolarHBondContact O-N 3Å
550H62.8Low56.9Low100 Ų10090.2 Ų90.246%0.46348%0.477SS..Hα-helixtrans-61.1-44.3176.8-176.664.9000112.3V546 T552 L553 N554V546-H550 VanDerWaalsContact O-CB 3.29Å; V546-H550 WeakPolarHBondContact O-CB 3.42Å; V546-H550 PolarHBondContact O-N 2.9Å; H550-T552 VanDerWaalsContact C-N 3.33Å; H550-T552 PolarHBondContact O-N 3.4Å; H550-L553 PolarHBondContact O-N 3.32Å; H550-N554 PolarHBondContact CD2-ND2 3.48Å; H550-N554 PolarHBondContact CE1-ND2 3.44Å; H550-N554 PolarHBondContact NE2-ND2 3.33Å; H550-N554 WeakPolarHBondContact O-CB 3.38Å; H550-N554 PolarHBondContact O-N 3.04Å; H550-N554 PolarHBondContact O-ND2 3.47Å
551N62.1Low57.8Low87 Ų8789.7 Ų89.747%0.46547%0.47SS..Hα-helixtrans-62.7-39.7175.9-69.9-0.6000112Q547 L549 F555Q547-N551 PolarHBondContact NE2-OD1 2.91Å; Q547-N551 VanDerWaalsContact O-CB 3.24Å; Q547-N551 WeakPolarHBondContact O-CB 3.44Å; Q547-N551 PolarHBondContact O-N 2.64Å; Q547-N551 PolarHBondContact O-ND2 2.83Å; Q547-N551 PolarHBondContact O-OD1 2.88Å; L549-N551 PolarHBondContact O-N 3.44Å; N551-F555 WeakPolarHBondContact O-CB 3.47Å; N551-F555 PolarHBondContact O-N 3.05Å
552T64.5Low58.4Low42 Ų4289.1 Ų89.126%0.25846%0.464SS..Hα-helixtrans-68.8-40.7177.3-53.60000111.5L542 Q548 L549 H550 F555 L556L542-T552 HydrophobicContact CD1-CG2 3.67Å; L542-T552 HydrophobicContact CD2-CG2 4.28Å; Q548-T552 WeakPolarHBondContact O-CB 3.28Å; Q548-T552 PolarHBondContact O-N 2.71Å; Q548-T552 PolarHBondContact O-OG1 3.29Å; L549-T552 PolarHBondContact O-N 3.31Å; H550-T552 VanDerWaalsContact C-N 3.33Å; H550-T552 PolarHBondContact O-N 3.4Å; T552-F555 PolarHBondContact O-N 3Å; T552-L556 HydrophobicContact CG2-CD1 4.16Å; T552-L556 WeakPolarHBondContact O-CG 3.24Å; T552-L556 PolarHBondContact O-N 3.36Å
553L65.9Low58.1Low73 Ų7392.3 Ų92.338%0.38248%0.477SS..Hα-helixtrans-63.1-47.5176.8-155.289000111.1L549 H550 F555 L556 E557L549-L553 WeakPolarHBondContact O-CB 3.07Å; L549-L553 PolarHBondContact O-N 3Å; H550-L553 PolarHBondContact O-N 3.32Å; L553-F555 VanDerWaalsContact C-N 3.26Å; L553-F555 PolarHBondContact O-N 2.9Å; L553-L556 PolarHBondContact O-N 3.21Å; L553-E557 WeakPolarHBondContact O-CB 3.32Å; L553-E557 PolarHBondContact O-N 2.82Å
554N66.4Low57.4Low68 Ų6894.2 Ų94.236%0.36448%0.477SS..Hα-helixtrans-60.3-36.2175.9-67-18000111.9H550 W558H550-N554 PolarHBondContact CD2-ND2 3.48Å; H550-N554 PolarHBondContact CE1-ND2 3.44Å; H550-N554 PolarHBondContact NE2-ND2 3.33Å; H550-N554 WeakPolarHBondContact O-CB 3.38Å; H550-N554 PolarHBondContact O-N 3.04Å; H550-N554 PolarHBondContact O-ND2 3.47Å; N554-W558 VanDerWaalsContact O-CB 3.23Å; N554-W558 WeakPolarHBondContact O-CB 3.4Å; N554-W558 PolarHBondContact O-N 3.14Å
555F65.1Low56.1Low94 Ų94100.5 Ų100.541%0.41250%0.501SS..Hα-helixtrans-67.9-45.7175176.7-95.2000112.1N551 T552 L553 W558 Q559N551-F555 WeakPolarHBondContact O-CB 3.47Å; N551-F555 PolarHBondContact O-N 3.05Å; T552-F555 PolarHBondContact O-N 3Å; L553-F555 VanDerWaalsContact C-N 3.26Å; L553-F555 PolarHBondContact O-N 2.9Å; F555-W558 PolarHBondContact O-N 2.96Å; F555-Q559 VanDerWaalsContact CE1-OE1 3.31Å; F555-Q559 WeakPolarHBondContact O-CB 3.26Å; F555-Q559 PolarHBondContact O-N 2.64Å
556L61Low54.5Low78 Ų78103.6 Ų103.641%0.40851%0.514SS..Hα-helixtrans-64.9-40.9177.3-71170.5000111.9L542 T552 L553 Q559 A560L542-L556 HydrophobicContact CD1-CD1 4.21Å; T552-L556 HydrophobicContact CG2-CD1 4.16Å; T552-L556 WeakPolarHBondContact O-CG 3.24Å; T552-L556 PolarHBondContact O-N 3.36Å; L553-L556 PolarHBondContact O-N 3.21Å; L556-Q559 PolarHBondContact O-N 3.31Å; L556-A560 WeakPolarHBondContact O-CB 3.15Å; L556-A560 PolarHBondContact O-N 3.37Å
557E59Low53Low96 Ų96107.8 Ų107.845%0.44952%0.517SS..Hα-helixtrans-66.4-39175.7-161.4-163.4152.100111.6L553 K561L553-E557 WeakPolarHBondContact O-CB 3.32Å; L553-E557 PolarHBondContact O-N 2.82Å; E557-K561 WeakPolarHBondContact O-CB 3.46Å; E557-K561 WeakPolarHBondContact O-CD 3.24Å; E557-K561 VanDerWaalsContact O-CG 3.29Å; E557-K561 WeakPolarHBondContact O-CG 3.47Å; E557-K561 PolarHBondContact O-N 2.85Å; E557-K561 WeakPolarHBondContact OE1-CE 3.29Å; E557-K561 IonicContact OE1-NZ 3.24Å; E557-K561 PolarHBondContact OE1-NZ 2.94Å
558W70.6Confident51.7Low142 Ų142108 Ų10854%0.53853%0.532SS..Hα-helixtrans-63.4-43.3171.7178.684.3000111.8N554 F555 K561 Q562N554-W558 VanDerWaalsContact O-CB 3.23Å; N554-W558 WeakPolarHBondContact O-CB 3.4Å; N554-W558 PolarHBondContact O-N 3.14Å; F555-W558 PolarHBondContact O-N 2.96Å; W558-K561 CarbonylContact O-C 3.52Å; W558-K561 WeakPolarHBondContact O-CB 3.24Å; W558-K561 PolarHBondContact O-N 3.41Å; W558-Q562 HydrophobicContact CD2-CG 4.3Å; W558-Q562 HydrophobicContact CE3-CG 4.49Å; W558-Q562 HydrophobicContact CH2-CG 4.12Å; W558-Q562 HydrophobicContact CZ2-CG 3.91Å; W558-Q562 HydrophobicContact CZ3-CG 4.4Å; W558-Q562 WeakPolarHBondContact O-CG 3.42Å; W558-Q562 PolarHBondContact O-N 2.91Å
559Q53.2Low50.5Low71 Ų71107 Ų10733%0.33254%0.537SS..Hα-helixtrans-66-41.9178.6-170.4174.5-0.200111.7F555 L556 K561 Q562 Q563F555-Q559 VanDerWaalsContact CE1-OE1 3.31Å; F555-Q559 WeakPolarHBondContact O-CB 3.26Å; F555-Q559 PolarHBondContact O-N 2.64Å; L556-Q559 PolarHBondContact O-N 3.31Å; Q559-K561 VanDerWaalsContact C-N 3.3Å; Q559-K561 PolarHBondContact O-N 2.79Å; Q559-Q562 WeakPolarHBondContact O-CA 3.44Å; Q559-Q562 WeakPolarHBondContact O-CB 3.47Å; Q559-Q562 PolarHBondContact O-N 3.21Å; Q559-Q563 PolarHBondContact O-N 2.95Å
560A53.2Low48.9Very low55 Ų55111.9 Ų111.946%0.45557%0.569SS.*Hα-helixtrans-59.8-39.6172.700000112L556 Q562 Q563L556-A560 WeakPolarHBondContact O-CB 3.15Å; L556-A560 PolarHBondContact O-N 3.37Å; A560-Q562 PolarHBondContact O-N 3Å; A560-Q563 PolarHBondContact O-N 3.41Å
561K59Low47.1Very low133 Ų133112 Ų11258%0.57858%0.581SS**THydrogen-bonded Turntrans-69.4-7172.3-72.9167.5176.31720114.3E557 W558 Q559E557-K561 WeakPolarHBondContact O-CB 3.46Å; E557-K561 WeakPolarHBondContact O-CD 3.24Å; E557-K561 VanDerWaalsContact O-CG 3.29Å; E557-K561 WeakPolarHBondContact O-CG 3.47Å; E557-K561 PolarHBondContact O-N 2.85Å; E557-K561 WeakPolarHBondContact OE1-CE 3.29Å; E557-K561 IonicContact OE1-NZ 3.24Å; E557-K561 PolarHBondContact OE1-NZ 2.94Å; W558-K561 CarbonylContact O-C 3.52Å; W558-K561 WeakPolarHBondContact O-CB 3.24Å; W558-K561 PolarHBondContact O-N 3.41Å; Q559-K561 VanDerWaalsContact C-N 3.3Å; Q559-K561 PolarHBondContact O-N 2.79Å
562Q51.7Low45.4Very low127 Ų127110.3 Ų110.359%0.59358%0.584SS**THydrogen-bonded Turntrans-103.2-12.7171.8-66.3-66.3-92.300113.5W558 Q559 A560W558-Q562 HydrophobicContact CD2-CG 4.3Å; W558-Q562 HydrophobicContact CE3-CG 4.49Å; W558-Q562 HydrophobicContact CH2-CG 4.12Å; W558-Q562 HydrophobicContact CZ2-CG 3.91Å; W558-Q562 HydrophobicContact CZ3-CG 4.4Å; W558-Q562 WeakPolarHBondContact O-CG 3.42Å; W558-Q562 PolarHBondContact O-N 2.91Å; Q559-Q562 WeakPolarHBondContact O-CA 3.44Å; Q559-Q562 WeakPolarHBondContact O-CB 3.47Å; Q559-Q562 PolarHBondContact O-N 3.21Å; A560-Q562 PolarHBondContact O-N 3Å
563Q44.4Very low43.6Very low125 Ų125114.7 Ų114.758%0.58460%0.604SS**  trans-104.511.7-176.3-68.3-172.1-76.100114.7Q559 A560 L565 L566Q559-Q563 PolarHBondContact O-N 2.95Å; A560-Q563 PolarHBondContact O-N 3.41Å; Q563-L565 PolarHBondContact O-N 3.21Å; Q563-L566 PolarHBondContact O-N 2.91Å
564Q36.8Very low41.6Very low171 Ų171118.3 Ų118.380%0.79962%0.623SS**THydrogen-bonded Turntrans-71.148.9179.4-82.5-75-26.400114.8
565L27.7Very low39.7Very low168 Ų168120.8 Ų120.888%0.8863%0.634SS**THydrogen-bonded Turntrans-134-12.7165.4-84.9175.5000113.6Q563Q563-L565 PolarHBondContact O-N 3.21Å
566L24.1Very low37.7Very low147 Ų147121.6 Ų121.677%0.7765%0.646SS**SBendtrans-140.1139.7177.7-73.3174.6000112.8Q563Q563-L566 PolarHBondContact O-N 2.91Å
567Y25.3Very low36.2Very low214 Ų214122.5 Ų122.584%0.83966%0.659SS**  trans70.4116.5175.7-78.9-84.9000119.7
568S23.3Very low34.5Very low123 Ų123124.4 Ų124.486%0.8668%0.677SS**  trans-89.796.7162.355.60000110.7
569S25.4Very low32.4Very low85 Ų85124.3 Ų124.359%0.59469%0.687SS**  trans-144112170.6480000111.1S571S569-S571 PolarHBondContact O-N 3.46Å
570T24.7Very low31.1Very low151 Ų151128.1 Ų128.193%0.92671%0.71SS**  trans-80.781.5-170.2-39.60000112.1G572T570-G572 PolarHBondContact O-N 2.88Å
571S26.6Very low29.9Very low101 Ų101131 Ų13171%0.70672%0.715SS**  trans-75.5101.4176.4-62.50000112S569 I573S569-S571 PolarHBondContact O-N 3.46Å; S571-I573 PolarHBondContact O-N 3.12Å
572G24.9Very low28.3Very low52 Ų52130.3 Ų130.354%0.53672%0.721SS.*  trans-72.1121.6173.300000112.1T570T570-G572 PolarHBondContact O-N 2.88Å
573I27.4Very low27.1Very low134 Ų134133 Ų13369%0.68773%0.726SS**  trans-87.1114.5177.4-53.5178.3000109.3S571 M575S571-I573 PolarHBondContact O-N 3.12Å; I573-M575 HydrophobicContact CG2-CG 4.02Å; I573-M575 HydrophobicContact CG2-SD 4.25Å
574I24.5Very low26.2Very low150 Ų150134.5 Ų134.577%0.76974%0.738SS**  trans-97.2112.9172.8-59.3177.4000108.5
575M25.9Very low25.8Very low120 Ų120132.7 Ų132.759%0.59174%0.738SS**  trans-103.3106.3178.1-71-70.6-74.600110.7I573 S577I573-M575 HydrophobicContact CG2-CG 4.02Å; I573-M575 HydrophobicContact CG2-SD 4.25Å; M575-S577 PolarHBondContact O-N 2.94Å
576T24.1Very low25.6Very low110 Ų110129.4 Ų129.468%0.67573%0.729SS**  trans-90.295.4169.753.40000110.1T578T576-T578 PolarHBondContact O-N 2.97Å
577S27.6Very low25.6Very low97 Ų97130 Ų13068%0.67873%0.733SS**  trans-72.4119.2173179.20000110.6M575 N579M575-S577 PolarHBondContact O-N 2.94Å; S577-N579 PolarHBondContact O-N 2.67Å; S577-N579 PolarHBondContact OG-N 3.24Å; S577-N579 PolarHBondContact OG-O 3.43Å
578T24.8Very low25.6Very low136 Ų136128 Ų12883%0.83474%0.736SS**SBendtrans-78.661163.656.30000110.3T576T576-T578 PolarHBondContact O-N 2.97Å
579N25.8Very low25.7Very low140 Ų140127 Ų12775%0.74973%0.726SS**SBendtrans-177.6124.3164.6-95.6-35.6000109.3S577 Q581S577-N579 PolarHBondContact O-N 2.67Å; S577-N579 PolarHBondContact OG-N 3.24Å; S577-N579 PolarHBondContact OG-O 3.43Å; N579-Q581 PolarHBondContact O-N 3.12Å
580D25.2Very low25.8Very low152 Ų152128.7 Ų128.781%0.81374%0.735SS**  trans-77109.5171.3-71.1-66.7000111.2
581Q28Very low25.8Very low116 Ų116127.7 Ų127.754%0.54273%0.729SS.*  trans-15496.6151.2-84.1-47.3-73.200110.1N579 L615N579-Q581 PolarHBondContact O-N 3.12Å; Q581-L615 VanDerWaalsContact NE2-CD2 3.31Å
582V26.2Very low25.6Very low118 Ų118129 Ų12972%0.71573%0.733SS**  trans-87.6123.5168.61770000109.6
583R27.1Very low25.5Very low184 Ų184132.8 Ų132.869%0.69475%0.746SS**  trans-134.4108.1158-82.6-164.8174.1-159.2-1.7111
584N24.9Very low25.3Very low155 Ų155132.5 Ų132.583%0.82975%0.75SS**  trans-69.4125.8159.7-76.1-29.5000109.5
585V27.5Very low25.3Very low134 Ų134129.9 Ų129.981%0.81275%0.751SS**  trans-136.8120.4147.6-177.50000107.5
586S24.4Very low25.2Very low98 Ų98134.5 Ų134.569%0.68576%0.763SS**  trans-70.1139.6174.849.90000111.8
587N24.3Very low25.2Very low160 Ų160136.1 Ų136.186%0.85677%0.768SS**  trans176.8100.1134.7-90.2-19.9000112.1
588L26Very low25.1Very low171 Ų171135.2 Ų135.290%0.89577%0.774SS**  trans-142.4138157.2-92.3170.1000107.8
589P25.1Very low25.2Very low102 Ų102136 Ų13666%0.66277%0.773SS**  trans-79.8155.8-175.333.2-35.6000112.1T591P589-T591 PolarHBondContact O-N 3.21Å
590P26.2Very low25.1Very low121 Ų121135.1 Ų135.179%0.78678%0.775SS**  trans-72.7107174.430-33.6000110.8T592P590-T592 PolarHBondContact O-N 2.92Å
591T25.9Very low25Very low130 Ų130134.9 Ų134.980%0.79877%0.772SS**  trans-76.9102.6163.229.60000109.9P589 V593P589-T591 PolarHBondContact O-N 3.21Å; T591-V593 PolarHBondContact O-N 2.89Å
592T21.3Very low24.7Very low129 Ų129136.7 Ų136.779%0.79179%0.785SS**  trans-62.4113.2176.5-26.50000110.8P590P590-T592 PolarHBondContact O-N 2.92Å
593V23.8Very low24.6Very low132 Ų132140.1 Ų140.180%0.879%0.791SS**  trans-106.2109165.5179.70000107.6T591 A595T591-V593 PolarHBondContact O-N 2.89Å; V593-A595 PolarHBondContact O-N 2.98Å
594T22.1Very low24.4Very low127 Ų127137.4 Ų137.478%0.77980%0.799SS**  trans-73.1105.3176.247.20000110.1Y596T594-Y596 PolarHBondContact O-N 3.21Å
595A24.4Very low24.3Very low95 Ų95138.5 Ų138.579%0.78580%0.798SS**  trans-68.5125.3165.200000109.6V593V593-A595 PolarHBondContact O-N 2.98Å
596Y23.5Very low24Very low217 Ų217138.8 Ų138.885%0.85180%0.801SS**SBendtrans-77.6154.4165.3-134.8-97.9000109.2T594T594-Y596 PolarHBondContact O-N 3.21Å
597N25.5Very low23.9Very low145 Ų145139.9 Ų139.978%0.77580%0.804SS**SBendtrans67.8100.1-172.6-53.1-21.9000114
598G25.6Very low23.8Very low77 Ų77138 Ų13879%0.79480%0.803SS**  trans-80.3122.7177.100000113.2
599N25.9Very low23.6Very low153 Ų153139.6 Ų139.682%0.81880%0.803SS**  trans-151.6131.4152.7-96.6-40.6000108.3
600P23.3Very low23.4Very low121 Ų121140.6 Ų140.679%0.78681%0.812SS**  trans-79.2127.5-178.431-33.1000111.4
601I24Very low23.3Very low147 Ų147139.2 Ų139.275%0.75481%0.806SS**  trans-105.2118.9169.7-59.9178.6000108
602N22.5Very low23.2Very low154 Ų154139.9 Ų139.982%0.82480%0.804SS**PPolyproline II helixtrans-73.2133.5178.2-74-37.1000111.3
603F22.9Very low23.4Very low191 Ų191139.7 Ų139.784%0.83880%0.803SS**PPolyproline II helixtrans-96.8134163.4-81.5-90000110
604C23.6Very low23.3Very low126 Ų126138.8 Ų138.885%0.85180%0.802SS**PPolyproline II helixtrans-79.5134.2175.6-71.80000111.2
605H22.2Very low23.3Very low178 Ų178138.6 Ų138.682%0.82480%0.796SS**PPolyproline II helixtrans-78.8127.6167.9-74.3-106.1000110.7
606T22.1Very low23.3Very low140 Ų140143.7 Ų143.786%0.85980%0.8SS**  trans-140.7123.1151.548.10000109.2
607T21.1Very low23.3Very low122 Ų122138.4 Ų138.475%0.74879%0.786SS**  trans-128.7139.617646.40000109.6
608S21.8Very low23.4Very low121 Ų121138.4 Ų138.485%0.84679%0.786SS**  trans-143.5123175560000109.8
609F22.1Very low23.4Very low204 Ų204139.9 Ų139.990%0.89578%0.78SS**  trans-104.6154.8177.1-80.4-91000111.2
610S21.9Very low23.5Very low122 Ų122139.6 Ų139.685%0.85378%0.777SS**  trans-143.2164.5152.1-164.50000108
611S23.9Very low23.6Very low93 Ų93141.6 Ų141.665%0.6578%0.776SS**  trans-129.6178.8-16265.10000115.1
612D24.7Very low23.8Very low144 Ų144140.1 Ų140.177%0.7778%0.775SS**  trans89.7136.9163.6-542.8000117.2
613V23.6Very low24.1Very low125 Ų125144.5 Ų144.576%0.75878%0.781SS**  cis-162.9155-21.1118.20000110.4
614S22.9Very low24.2Very low113 Ų113141.2 Ų141.279%0.7978%0.782SS**  trans75.7151.1164-78.90000121.5
615L22.4Very low24.5Very low123 Ų123142.8 Ų142.864%0.64478%0.78SS**  trans-139.9158.6-176.9-68.1172.8000111.4Q581Q581-L615 VanDerWaalsContact NE2-CD2 3.31Å
616K23Very low24.8Very low201 Ų201140.2 Ų140.287%0.87478%0.779SS**  trans-140.1148.1156.9-160.2171-177.7-1790109.9
617L25.1Very low25.1Very low106 Ų106144.5 Ų144.556%0.55578%0.779SS**  trans-130.4139.9-162.5-177.977.7000111
618D26.7Very low25.5Very low146 Ų146147.8 Ų147.878%0.78179%0.786SS**  trans-155.898.8154.9-109.5-45.4000114.9
619T25.9Very low25.9Very low107 Ų107150.6 Ų150.666%0.65679%0.79SS**  72.6135.3118.8-47.90000123
620I27.6Very low26.3Very low147 Ų147145.1 Ų145.175%0.75478%0.783SS**  trans96.682.2164-39.1-166.5000121.8
621Q25.3Very low26.7Very low163 Ų163145 Ų14576%0.76278%0.779SS**  45.1128.4122.7-58-60.2-29.600124.6
622P28.8Very low27Very low116 Ų116148.4 Ų148.475%0.75379%0.789SS**  trans-119153.9164.840-29000115.3
623W27.9Very low27.1Very low247 Ų247146.7 Ų146.794%0.93679%0.788SS**  trans-125.9133.3174.5-8113.1000113.2
624S26.2Very low27.3Very low122 Ų122148.2 Ų148.285%0.85379%0.792SS**  trans-171110.1163.3-83.30000112.8
625I29.3Very low27.4Very low158 Ų158150.3 Ų150.381%0.8179%0.794SS**  trans-150.3123.9166.3-51.3177.4000110.7
626P29.6Very low27.8Very low125 Ų125151.5 Ų151.581%0.81280%0.8SS**  trans-93.3131.5159.532.3-25.4000111.2
627R28Very low28.2Very low229 Ų229147.7 Ų147.786%0.86480%0.796SS**  trans-81.1140.1172.9-58.1177.5-177.2-179.10.1110
628H28.7Very low28.5Very low192 Ų192150.2 Ų150.289%0.88981%0.808SS**  trans17783.7136.8-97.6-65.7000112.2
629L30.3Very low28.9Very low179 Ų179150.5 Ų150.594%0.93781%0.81SS**  trans-148136.3148.8-99.1174.8000107
630A30.6Very low29.2Very low89 Ų89151.7 Ų151.774%0.73681%0.812SS**  trans-84.3144.1178.900000110.3L632A630-L632 PolarHBondContact O-N 2.89Å
631P30.3Very low29.4Very low120 Ų120153.4 Ų153.478%0.77982%0.817SS**  trans-71.8126.5179.329-33.5000111.1S633P631-S633 PolarHBondContact O-N 3.43Å
632L29.3Very low29.7Very low164 Ų164155.6 Ų155.686%0.85985%0.848SS**  trans-78.8113.6161.5-81.6166.8000108.5A630 L634A630-L632 PolarHBondContact O-N 2.89Å; L632-L634 VanDerWaalsContact C-N 3.35Å; L632-L634 PolarHBondContact O-N 2.9Å
633S27.4Very low29.8Very low108 Ų108157.6 Ų157.676%0.75585%0.852SS**  trans-71.583-179.2-550000112.1P631 N635P631-S633 PolarHBondContact O-N 3.43Å; S633-N635 PolarHBondContact O-N 3.49Å; S633-N635 VanDerWaalsContact O-N 3.17Å
634L28.3Very low29.9Very low158 Ų158152.8 Ų152.883%0.82785%0.848SS**  trans-76.893.7170.2-98.6163.2000110.5L632 L636L632-L634 VanDerWaalsContact C-N 3.35Å; L632-L634 PolarHBondContact O-N 2.9Å; L634-L636 PolarHBondContact O-N 3.17Å
635N25.8Very low30.1Very low156 Ų156154.6 Ų154.683%0.83485%0.848SS**  trans-70.9105.1170.1-84.1-20.6000110.7S633S633-N635 PolarHBondContact O-N 3.49Å; S633-N635 VanDerWaalsContact O-N 3.17Å
636L30.5Very low30.1Very low149 Ų149154.4 Ų154.478%0.7885%0.85SS**  trans-130.5146.7156.3-78.2175.6000109.1L634L634-L636 PolarHBondContact O-N 3.17Å
637P31.4Very low30.1Very low120 Ų120156.2 Ų156.278%0.77985%0.852SS**  trans-76.8133.3-161.729.1-35.1000112.9N639P637-N639 PolarHBondContact O-N 3.2Å
638I31.2Very low30.3Very low160 Ų160151.3 Ų151.382%0.82185%0.852SS**  trans-67.9124.9162.7-61.9170.8000107.7
639N34.9Very low30.4Very low152 Ų152148.4 Ų148.481%0.81385%0.849SS**  trans-115.9146.9160.3-152.50.1000108.1P637P637-N639 PolarHBondContact O-N 3.2Å
640N30.9Very low30.4Very low131 Ų131146.1 Ų146.170%0.70184%0.842SS**  trans-82.5161.6-156.6-63.7-64.1000115.3
641Q33.2Very low30.4Very low184 Ų184150.8 Ų150.886%0.8685%0.851SS**  trans110.7143.6151.5-59.6-174.4-10.800117.9
642C31.3Very low30.4Very low208 Ų208153.6 Ų153.6100%1.40586%0.858SS**  trans69.20-179.3-650000116.1

Retrieved 642 of 642 residues in 221.9 ms (Link to these results)

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