G4V7I4_SCHMA Loading...

Putative calcium-activated potassium channel alpha subunit

AlphaFold DB , UniProt , Accession G4V7I4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 482 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
1M39.4Very low57.7Low98 Ų9896.6 Ų96.648%0.48348%0.478SS..  0-53.30-148.3-179.4-77.800112.8E3 I5M1-E3 PolarHBondContact O-N 2.91Å; M1-I5 HydrophobicContact CG-CD1 4.08Å; M1-I5 WeakPolarHBondContact O-CD1 3.37Å; M1-I5 VanDerWaalsContact O-CG1 3.32Å; M1-I5 WeakPolarHBondContact O-CG1 3.47Å; M1-I5 PolarHBondContact O-N 2.87Å
2K37.3Very low60.6Low177 Ų17788.6 Ų88.677%0.7744%0.439SS*.Hα-helixtrans-60.2-40.1179.4-79.6-175.9176.3178.70114.7R6K2-R6 WeakPolarHBondContact O-CG 3.37Å; K2-R6 PolarHBondContact O-N 3.18Å
3E42.6Very low63.2Low99 Ų9982.9 Ų82.946%0.46341%0.411SS..Hα-helixtrans-70.6-43-178-66.2-78.6108.800112.6M1 I5 R6 C7 I319M1-E3 PolarHBondContact O-N 2.91Å; E3-I5 VanDerWaalsContact C-N 3.34Å; E3-I5 PolarHBondContact O-N 2.93Å; E3-R6 WeakPolarHBondContact O-CA 3.49Å; E3-R6 VanDerWaalsContact O-CB 3.29Å; E3-R6 WeakPolarHBondContact O-CB 3.41Å; E3-R6 PolarHBondContact O-N 3.4Å; E3-R6 IonicContact OE1-NH1 3.13Å; E3-R6 PolarHBondContact OE1-NH1 3.16Å; E3-R6 VanDerWaalsContact OE1-NH1 3.13Å; E3-C7 PolarHBondContact O-N 3.39Å; E3-I319 HydrophobicContact CB-CD1 3.69Å; E3-I319 HydrophobicContact CG-CD1 4.34Å
4M49.6Very low65.4Low14 Ų1477 Ų777%0.06938%0.381CS..Hα-helixtrans-71.2-25.8176.8-77.7-174.255.200114.2R6 C7 F9 I49 F73 I319M4-R6 PolarHBondContact O-N 2.85Å; M4-C7 CarbonylContact O-C 3.5Å; M4-C7 PolarHBondContact O-N 3.32Å; M4-F9 HydrophobicContact CE-CE2 4.45Å; M4-F9 HydrophobicContact CG-CE2 4.44Å; M4-I49 HydrophobicContact CE-CD1 4.33Å; M4-I49 HydrophobicContact CE-CG2 3.94Å; M4-F73 HydrophobicContact CE-CB 4.04Å; M4-F73 HydrophobicContact CE-CD2 3.7Å; M4-F73 HydrophobicContact CE-CG 4.25Å; M4-F73 HydrophobicContact SD-CB 4.07Å; M4-F73 HydrophobicContact SD-CD2 3.51Å; M4-F73 VanDerWaalsContact SD-CD2 3.51Å; M4-F73 HydrophobicContact SD-CE2 4.46Å; M4-F73 HydrophobicContact SD-CG 4.26Å; M4-I319 HydrophobicContact CG-CD1 4.4Å
5I51.7Low67.4Low107 Ų10772 Ų7255%0.54936%0.357SS..Hα-helixtrans-69-26.7169.6-66.3167000110.6M1 E3M1-I5 HydrophobicContact CG-CD1 4.08Å; M1-I5 WeakPolarHBondContact O-CD1 3.37Å; M1-I5 VanDerWaalsContact O-CG1 3.32Å; M1-I5 WeakPolarHBondContact O-CG1 3.47Å; M1-I5 PolarHBondContact O-N 2.87Å; E3-I5 VanDerWaalsContact C-N 3.34Å; E3-I5 PolarHBondContact O-N 2.93Å
6R47.6Very low69.1Low183 Ų18367.5 Ų67.569%0.69133%0.334SS*.Hα-helixtrans-77.1-36.5174.2-70.4170.3169.4-177.4-10111.9K2 E3 M4 Q8K2-R6 WeakPolarHBondContact O-CG 3.37Å; K2-R6 PolarHBondContact O-N 3.18Å; E3-R6 WeakPolarHBondContact O-CA 3.49Å; E3-R6 VanDerWaalsContact O-CB 3.29Å; E3-R6 WeakPolarHBondContact O-CB 3.41Å; E3-R6 PolarHBondContact O-N 3.4Å; E3-R6 IonicContact OE1-NH1 3.13Å; E3-R6 PolarHBondContact OE1-NH1 3.16Å; E3-R6 VanDerWaalsContact OE1-NH1 3.13Å; M4-R6 PolarHBondContact O-N 2.85Å; R6-Q8 PolarHBondContact O-N 3.23Å; R6-Q8 VanDerWaalsContact O-N 3.13Å
7C56.1Low70.4Confident62 Ų6263.8 Ų63.842%0.41932%0.316SS..SBendtrans-79.692.4174.3-60.40000110.1E3 M4 F9E3-C7 PolarHBondContact O-N 3.39Å; M4-C7 CarbonylContact O-C 3.5Å; M4-C7 PolarHBondContact O-N 3.32Å; C7-F9 VanDerWaalsContact C-N 3.28Å; C7-F9 HydrophobicContact CB-CD2 4.03Å; C7-F9 HydrophobicContact CB-CE1 4.36Å; C7-F9 HydrophobicContact CB-CE2 3.44Å; C7-F9 VanDerWaalsContact CB-CE2 3.44Å; C7-F9 HydrophobicContact CB-CZ 3.64Å; C7-F9 WeakPolarHBondContact O-CD2 3.21Å; C7-F9 PolarHBondContact O-N 3.37Å
8Q66.3Low71.3Confident149 Ų14960.4 Ų60.470%0.69630%0.3SS*.  trans-71.886171.4-67.7-167.518.300110R6R6-Q8 PolarHBondContact O-N 3.23Å; R6-Q8 VanDerWaalsContact O-N 3.13Å
9F74.7Confident71.5Confident31 Ų3163.6 Ų63.614%0.13631%0.311CS..  trans-68.6135.4172.6-61.2-78.5000110.3M4 C7 H12 P47 I49 Y71M4-F9 HydrophobicContact CE-CE2 4.45Å; M4-F9 HydrophobicContact CG-CE2 4.44Å; C7-F9 VanDerWaalsContact C-N 3.28Å; C7-F9 HydrophobicContact CB-CD2 4.03Å; C7-F9 HydrophobicContact CB-CE1 4.36Å; C7-F9 HydrophobicContact CB-CE2 3.44Å; C7-F9 VanDerWaalsContact CB-CE2 3.44Å; C7-F9 HydrophobicContact CB-CZ 3.64Å; C7-F9 WeakPolarHBondContact O-CD2 3.21Å; C7-F9 PolarHBondContact O-N 3.37Å; F9-H12 HydrophobicContact CB-CB 4.41Å; F9-P47 HydrophobicContact CD1-CB 4.49Å; F9-I49 HydrophobicContact CB-CD1 4.16Å; F9-I49 HydrophobicContact CD1-CD1 4.45Å; F9-I49 HydrophobicContact CD2-CD1 3.63Å; F9-I49 HydrophobicContact CE2-CD1 4.08Å; F9-I49 HydrophobicContact CG-CD1 3.83Å; F9-Y71 HydrophobicContact CE1-CD2 4.01Å; F9-Y71 AromaticContact CE1-CE2 3.79Å; F9-Y71 HydrophobicContact CE1-CE2 3.79Å; F9-Y71 HydrophobicContact CZ-CD1 4.3Å; F9-Y71 HydrophobicContact CZ-CD2 4.15Å; F9-Y71 HydrophobicContact CZ-CE1 4.37Å; F9-Y71 HydrophobicContact CZ-CE2 4.22Å; F9-Y71 HydrophobicContact CZ-CG 4.18Å
10G81.9Confident71.5Confident45 Ų4561.9 Ų61.946%0.46430%0.302SS..  trans-136.5150.9169.700000109.4H12G10-H12 PolarHBondContact O-N 3.38Å
11N87.9Confident71.2Confident98 Ų9860.7 Ų60.752%0.52430%0.3SS..SBendtrans55.730.7-178.1-166.329.8000114K46 R90 S92N11-K46 PolarHBondContact OD1-NZ 3.15Å; N11-R90 PolarHBondContact N-O 3.12Å; N11-S92 WeakPolarHBondContact OD1-CB 3.2Å
12H92Very high72.4Confident0 Ų065.9 Ų65.90%032%0.319CS..  trans-94172.9176.659.9-71.4000112.1F9 G10 P47 I49 A86 G87 C91 S92F9-H12 HydrophobicContact CB-CB 4.41Å; G10-H12 PolarHBondContact O-N 3.38Å; H12-P47 WeakPolarHBondContact CA-O 3.37Å; H12-P47 HydrophobicContact CB-CB 4.05Å; H12-P47 HydrophobicContact CB-CG 4.49Å; H12-P47 WeakPolarHBondContact CB-O 3.29Å; H12-I49 WeakPolarHBondContact CD2-CD1 3Å; H12-A86 PolarHBondContact NE2-O 2.81Å; H12-G87 PolarHBondContact CE1-O 3.19Å; H12-G87 VanDerWaalsContact CE1-O 3.3Å; H12-C91 WeakPolarHBondContact O-CB 3.48Å; H12-S92 PolarHBondContact O-N 3.35Å; H12-S92 PolarHBondContact O-OG 3.12Å; H12-S92 VanDerWaalsContact O-OG 3.08Å
13I94.4Very high73.5Confident15 Ų1560.8 Ų60.88%0.07732%0.317CS..EExtended strand (participates in β ladder)trans-107.9132.1173.8-59.5172000107.9V15 L35 K46 P47 I48 I49 T93I13-V15 HydrophobicContact CG2-CG2 4.28Å; I13-L35 HydrophobicContact CD1-CD1 4.02Å; I13-K46 HydrophobicContact CD1-CB 4.08Å; I13-K46 HydrophobicContact CD1-CD 4.33Å; I13-K46 HydrophobicContact CG1-CB 4.11Å; I13-K46 HydrophobicContact CG1-CD 4.2Å; I13-P47 PolarHBondContact N-O 3.43Å; I13-I48 HydrophobicContact CB-CG1 4.19Å; I13-I48 HydrophobicContact CD1-CG1 4.39Å; I13-I48 CarbonylContact O-C 3.59Å; I13-I48 WeakPolarHBondContact O-CA 3.36Å; I13-I49 PolarHBondContact O-N 3.42Å; I13-T93 CarbonylContact C-O 3.54Å; I13-T93 WeakPolarHBondContact CA-O 3.32Å
14I94.6Very high74.6Confident0 Ų058.8 Ų58.80%031%0.309CS..EExtended strand (participates in β ladder)trans-108.9129.1173.4-59.5177.3000108.6I49 A86 V88 C91 T93 C94 V95I14-I49 CarbonylContact C-O 3.54Å; I14-I49 WeakPolarHBondContact CA-O 3.45Å; I14-A86 HydrophobicContact CD1-CB 4.16Å; I14-A86 WeakPolarHBondContact CD1-O 3.11Å; I14-V88 HydrophobicContact CD1-CB 4.07Å; I14-V88 HydrophobicContact CD1-CG2 4.42Å; I14-C91 HydrophobicContact CD1-CB 3.8Å; I14-C91 HydrophobicContact CG1-CB 3.89Å; I14-T93 PolarHBondContact N-O 2.84Å; I14-C94 CarbonylContact O-C 3.53Å; I14-C94 WeakPolarHBondContact O-CA 3.39Å; I14-V95 PolarHBondContact O-N 3.13Å
15V94.8Very high75.6Confident2 Ų265.1 Ų65.11%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-113.5105.8174.9-174.60000108.5I13 I17 F31 I48 I49 L51 V95 L97I13-V15 HydrophobicContact CG2-CG2 4.28Å; V15-I17 HydrophobicContact CG1-CG1 4.23Å; V15-F31 HydrophobicContact CG2-CD1 4.16Å; V15-F31 HydrophobicContact CG2-CE1 3.39Å; V15-F31 HydrophobicContact CG2-CZ 3.91Å; V15-I48 HydrophobicContact CG2-CG2 3.95Å; V15-I49 PolarHBondContact N-O 2.95Å; V15-L51 PolarHBondContact O-N 3.02Å; V15-V95 CarbonylContact C-O 3.57Å; V15-L97 HydrophobicContact CG1-CD1 3.63Å; V15-L97 HydrophobicContact CG1-CG 4.13Å
16C94.4Very high76.7Confident0 Ų062 Ų620%032%0.323CS..EExtended strand (participates in β ladder)trans-90.2114.7176.6-64.20000109.6M18 P77 V95 V96 L97C16-M18 HydrophobicContact CB-CE 3.66Å; C16-P77 HydrophobicContact CB-CB 3.74Å; C16-P77 HydrophobicContact CB-CG 4.33Å; C16-V95 PolarHBondContact N-O 2.83Å; C16-V96 HydrophobicContact CB-CG2 4.39Å; C16-L97 PolarHBondContact O-N 3.22Å
17I91.1Very high78.2Confident4 Ų454.7 Ų54.72%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-100.8118.1179-53.2172.8000108.1V15 Q20 L28 I50 L51 C52 V56 L97V15-I17 HydrophobicContact CG1-CG1 4.23Å; I17-Q20 HydrophobicContact CG2-CG 4.36Å; I17-L28 HydrophobicContact CD1-CD1 3.44Å; I17-L28 VanDerWaalsContact CD1-CD1 3.44Å; I17-L28 HydrophobicContact CD1-CD2 3.46Å; I17-L28 VanDerWaalsContact CD1-CD2 3.46Å; I17-L28 HydrophobicContact CD1-CG 4.03Å; I17-L28 HydrophobicContact CG1-CD2 4.22Å; I17-I50 HydrophobicContact CD1-CG2 3.52Å; I17-I50 HydrophobicContact CG1-CG2 4.27Å; I17-L51 PolarHBondContact N-O 3.33Å; I17-C52 HydrophobicContact CB-CB 3.86Å; I17-C52 HydrophobicContact CD1-CB 3.96Å; I17-C52 HydrophobicContact CG1-CB 4.26Å; I17-V56 HydrophobicContact CD1-CG1 4.46Å; I17-V56 HydrophobicContact CG2-CG1 4.24Å; I17-L97 HydrophobicContact CG1-CD1 4.49Å
18M87.8Confident79.6Confident4 Ų451.9 Ų51.92%0.0228%0.284CS..PPolyproline II helixtrans-71.3169176-61.2-49.5102.700110.7C16 Q20 P77 V96 L97 C99 E114 C118C16-M18 HydrophobicContact CB-CE 3.66Å; M18-Q20 PolarHBondContact O-N 3.13Å; M18-P77 HydrophobicContact CE-CB 3.75Å; M18-P77 HydrophobicContact CE-CG 3.18Å; M18-P77 HydrophobicContact SD-CG 3.88Å; M18-V96 HydrophobicContact CE-CG1 3.87Å; M18-V96 HydrophobicContact CG-CG1 4.44Å; M18-V96 HydrophobicContact SD-CG1 4.43Å; M18-L97 WeakPolarHBondContact CG-O 3.21Å; M18-L97 PolarHBondContact N-O 3.47Å; M18-C99 WeakPolarHBondContact O-CB 3.25Å; M18-E114 HydrophobicContact CB-CB 4.12Å; M18-E114 HydrophobicContact CG-CB 3.99Å; M18-E114 HydrophobicContact SD-CB 4.1Å; M18-C118 HydrophobicContact CE-CB 4Å; M18-C118 HydrophobicContact SD-CB 3.75Å
19K74.8Confident80.4Confident120 Ų12045.5 Ų45.552%0.52226%0.257SS..PPolyproline II helixtrans-63.8125.8-171.2-171.6176.6-178.9176.70110.6E114K19-E114 VanDerWaalsContact CB-OE2 3.27Å; K19-E114 WeakPolarHBondContact CB-OE2 3.41Å; K19-E114 PolarHBondContact N-OE2 3.08Å
20Q70.2Confident80.8Confident29 Ų2948.2 Ų48.214%0.13628%0.28CS..PPolyproline II helixtrans-90.3145.6176.9-49.9-150.5-71.700111.7I17 M18 I24 T26 V56 C99I17-Q20 HydrophobicContact CG2-CG 4.36Å; M18-Q20 PolarHBondContact O-N 3.13Å; Q20-I24 PolarHBondContact OE1-O 3.1Å; Q20-T26 VanDerWaalsContact CD-OG1 3.26Å; Q20-T26 PolarHBondContact NE2-OG1 3.48Å; Q20-T26 PolarHBondContact OE1-OG1 3.04Å; Q20-V56 HydrophobicContact CB-CG2 4.31Å; Q20-V56 HydrophobicContact CG-CG1 4.18Å; Q20-V56 HydrophobicContact CG-CG2 3.85Å; Q20-C99 HydrophobicContact CB-CB 4.3Å; Q20-C99 HydrophobicContact CG-CB 3.63Å; Q20-C99 PolarHBondContact NE2-SG 3.41Å
21P65.5Low81.1Confident38 Ų3848.8 Ų48.825%0.24727%0.27CS..PPolyproline II helixtrans-56.3145.9158-18.428.6000110.1G23 I24 C99P21-G23 PolarHBondContact O-N 3.03Å; P21-I24 HydrophobicContact CB-CD1 3.85Å; P21-I24 HydrophobicContact CB-CG1 4.36Å; P21-I24 HydrophobicContact CG-CD1 3.82Å; P21-C99 WeakPolarHBondContact CD-O 3.5Å
22K64.8Low81.1Confident206 Ų20644.2 Ų44.290%0.89625%0.245SC*.THydrogen-bonded Turntrans-57.9127.8179.6-66.3-179.2-179.6178.10110.4
23G61Low80.8Confident70 Ų7046.4 Ų46.472%0.72226%0.257SS*.THydrogen-bonded Turntrans92.2-1.9169.600000116.2P21P21-G23 PolarHBondContact O-N 3.03Å
24I66.2Low80.5Confident57 Ų5747.7 Ų47.729%0.29227%0.266SS..  trans-89.8129.5174.5-55.8-178.7000108.8Q20 P21Q20-I24 PolarHBondContact OE1-O 3.1Å; P21-I24 HydrophobicContact CB-CD1 3.85Å; P21-I24 HydrophobicContact CB-CG1 4.36Å; P21-I24 HydrophobicContact CG-CD1 3.82Å
25K70.7Confident80.3Confident148 Ų14850.3 Ų50.364%0.64328%0.28SS*.  trans-87.9127.6172.3-76.3-176-178.2-179.80109G27 E60K25-G27 PolarHBondContact O-N 3.27Å; K25-E60 VanDerWaalsContact C-OE1 3.26Å; K25-E60 WeakPolarHBondContact CA-OE1 3.4Å; K25-E60 WeakPolarHBondContact CB-OE1 3.44Å; K25-E60 WeakPolarHBondContact CG-OE1 3.32Å
26T74.5Confident79.9Confident42 Ų4251.6 Ų51.626%0.25829%0.285SS..  trans-68.9-24.8172.4-28.60000111Q20 L28 E60 L97Q20-T26 VanDerWaalsContact CD-OG1 3.26Å; Q20-T26 PolarHBondContact NE2-OG1 3.48Å; Q20-T26 PolarHBondContact OE1-OG1 3.04Å; T26-L28 HydrophobicContact CG2-CD2 4.19Å; T26-E60 PolarHBondContact N-OE1 2.98Å; T26-L97 HydrophobicContact CG2-CD1 4.46Å
27G78.9Confident79.4Confident28 Ų2852.2 Ų52.229%0.28929%0.289SS..  trans73.348.1-170.500000111.5K25 A29 S30 E60K25-G27 PolarHBondContact O-N 3.27Å; G27-A29 PolarHBondContact O-N 3Å; G27-S30 PolarHBondContact O-N 2.83Å; G27-S30 PolarHBondContact O-OG 3.46Å; G27-E60 PolarHBondContact N-OE1 3.12Å
28L85.5Confident78.9Confident3 Ų359.1 Ų59.12%0.01633%0.331CS..Hα-helixtrans-59.8-24.5-175.5-65.9174.7000113.3I17 T26 S30 F31 V32 I50 I57 E60 L64 L97I17-L28 HydrophobicContact CD1-CD1 3.44Å; I17-L28 VanDerWaalsContact CD1-CD1 3.44Å; I17-L28 HydrophobicContact CD1-CD2 3.46Å; I17-L28 VanDerWaalsContact CD1-CD2 3.46Å; I17-L28 HydrophobicContact CD1-CG 4.03Å; I17-L28 HydrophobicContact CG1-CD2 4.22Å; T26-L28 HydrophobicContact CG2-CD2 4.19Å; L28-S30 VanDerWaalsContact C-N 3.32Å; L28-S30 PolarHBondContact O-N 3.12Å; L28-F31 PolarHBondContact O-N 3.29Å; L28-V32 WeakPolarHBondContact O-CG2 3.43Å; L28-V32 PolarHBondContact O-N 3.07Å; L28-I50 HydrophobicContact CD1-CD1 4.48Å; L28-I50 HydrophobicContact CD1-CG2 4.47Å; L28-I57 HydrophobicContact CD1-CD1 4.46Å; L28-E60 HydrophobicContact CD1-CB 3.97Å; L28-E60 HydrophobicContact CD1-CG 4.04Å; L28-E60 HydrophobicContact CG-CB 4.48Å; L28-E60 HydrophobicContact CG-CG 4.24Å; L28-E60 PolarHBondContact N-OE2 3.41Å; L28-E60 VanDerWaalsContact N-OE2 3.11Å; L28-L64 HydrophobicContact CB-CD1 4.02Å; L28-L64 HydrophobicContact CB-CD2 4.31Å; L28-L64 HydrophobicContact CD1-CD1 4.16Å; L28-L97 HydrophobicContact CD2-CD1 4.15Å
29A83.1Confident78.5Confident16 Ų1663.2 Ų63.213%0.13236%0.36CS..Hα-helixtrans-58.1-42.1173.100000112.2G27 F31 V32 L33G27-A29 PolarHBondContact O-N 3Å; A29-F31 PolarHBondContact O-N 3.25Å; A29-V32 PolarHBondContact O-N 3.3Å; A29-L33 HydrophobicContact CB-CD1 4.37Å; A29-L33 VanDerWaalsContact O-CB 3.29Å; A29-L33 WeakPolarHBondContact O-CB 3.42Å; A29-L33 WeakPolarHBondContact O-CG 3.29Å; A29-L33 PolarHBondContact O-N 3.3Å
30S82.6Confident79Confident88 Ų8860.3 Ų60.362%0.61535%0.35SS*.Hα-helixtrans-64.8-29.2-179.767.10000112.4G27 L28 P34G27-S30 PolarHBondContact O-N 2.83Å; G27-S30 PolarHBondContact O-OG 3.46Å; L28-S30 VanDerWaalsContact C-N 3.32Å; L28-S30 PolarHBondContact O-N 3.12Å; S30-P34 WeakPolarHBondContact O-CD 3.42Å
31F88.2Confident79.8Confident57 Ų5761.4 Ų61.425%0.2536%0.36CS..Hα-helixtrans-74.2-43.4173.6179.6-89.5000112.2V15 L28 A29 L35 V95V15-F31 HydrophobicContact CG2-CD1 4.16Å; V15-F31 HydrophobicContact CG2-CE1 3.39Å; V15-F31 HydrophobicContact CG2-CZ 3.91Å; L28-F31 PolarHBondContact O-N 3.29Å; A29-F31 PolarHBondContact O-N 3.25Å; F31-L35 HydrophobicContact CD1-CD1 4.4Å; F31-L35 HydrophobicContact CE1-CD1 3.82Å; F31-L35 HydrophobicContact CZ-CD1 4.23Å; F31-V95 HydrophobicContact CE2-CG1 4.09Å; F31-V95 HydrophobicContact CE2-CG2 4.33Å; F31-V95 HydrophobicContact CZ-CB 4.3Å; F31-V95 HydrophobicContact CZ-CG1 4.33Å; F31-V95 HydrophobicContact CZ-CG2 3.94Å
32V89.1Confident80.6Confident1 Ų164.7 Ų64.71%0.00638%0.379CS..Hα-helixtrans-82-32.1-172.5-178.80000112.8L28 A29 L35 R36 I48 L64 L67 I70L28-V32 WeakPolarHBondContact O-CG2 3.43Å; L28-V32 PolarHBondContact O-N 3.07Å; A29-V32 PolarHBondContact O-N 3.3Å; V32-L35 WeakPolarHBondContact O-CB 3.37Å; V32-L35 PolarHBondContact O-N 3.09Å; V32-L35 VanDerWaalsContact O-N 3.09Å; V32-R36 HydrophobicContact CG1-CG 4.01Å; V32-R36 PolarHBondContact O-N 3.19Å; V32-I48 HydrophobicContact CG1-CD1 3.78Å; V32-I48 HydrophobicContact CG2-CD1 4.36Å; V32-L64 HydrophobicContact CB-CD2 4.1Å; V32-L64 HydrophobicContact CG2-CD2 3.93Å; V32-L67 HydrophobicContact CB-CD1 4.25Å; V32-L67 HydrophobicContact CG1-CD1 3.79Å; V32-I70 HydrophobicContact CG1-CD1 3.65Å; V32-I70 HydrophobicContact CG1-CG1 4.33Å
33L85.7Confident81.7Confident46 Ų4662.9 Ų62.924%0.24137%0.374CS..THydrogen-bonded Turntrans-58.3-47.4-174.9-75.7173.4000114A29 L35 R36 S37 L67 F217 F223A29-L33 HydrophobicContact CB-CD1 4.37Å; A29-L33 VanDerWaalsContact O-CB 3.29Å; A29-L33 WeakPolarHBondContact O-CB 3.42Å; A29-L33 WeakPolarHBondContact O-CG 3.29Å; A29-L33 PolarHBondContact O-N 3.3Å; L33-L35 PolarHBondContact O-N 3.47Å; L33-R36 CarbonylContact O-C 3.6Å; L33-R36 WeakPolarHBondContact O-CA 3.43Å; L33-R36 PolarHBondContact O-N 2.99Å; L33-S37 PolarHBondContact O-N 3.38Å; L33-L67 HydrophobicContact CD2-CD1 3.94Å; L33-L67 HydrophobicContact CD2-CD2 3.85Å; L33-L67 HydrophobicContact CD2-CG 4.5Å; L33-F217 HydrophobicContact CD1-CE2 4.3Å; L33-F217 HydrophobicContact CD1-CZ 4.02Å; L33-F223 HydrophobicContact CD1-CE2 4.43Å; L33-F223 HydrophobicContact CD2-CD2 4.11Å; L33-F223 HydrophobicContact CD2-CE2 3.45Å; L33-F223 VanDerWaalsContact CD2-CE2 3.45Å; L33-F223 HydrophobicContact CD2-CZ 4.4Å
34P87.2Confident82.9Confident43 Ų4366.1 Ų66.128%0.27937%0.37SS..G310 helixtrans-54.2-40.3172.9-32.139.8000113.8S30 R36 S37 L205S30-P34 WeakPolarHBondContact O-CD 3.42Å; P34-R36 PolarHBondContact O-N 3.22Å; P34-S37 WeakPolarHBondContact O-CB 3.03Å; P34-S37 PolarHBondContact O-N 2.99Å; P34-L205 WeakPolarHBondContact CB-O 3.33Å; P34-L205 VanDerWaalsContact CG-O 3.27Å; P34-L205 WeakPolarHBondContact CG-O 3.35Å
35L90.1Very high84Confident54 Ų5464.5 Ų64.528%0.28336%0.362SS..G310 helixtrans-74.7-2.9-179.5-58.3177000113.4I13 F31 V32 L33 I48I13-L35 HydrophobicContact CD1-CD1 4.02Å; F31-L35 HydrophobicContact CD1-CD1 4.4Å; F31-L35 HydrophobicContact CE1-CD1 3.82Å; F31-L35 HydrophobicContact CZ-CD1 4.23Å; V32-L35 WeakPolarHBondContact O-CB 3.37Å; V32-L35 PolarHBondContact O-N 3.09Å; V32-L35 VanDerWaalsContact O-N 3.09Å; L33-L35 PolarHBondContact O-N 3.47Å; L35-I48 HydrophobicContact CB-CD1 4.13Å; L35-I48 HydrophobicContact CD1-CD1 3.84Å
36R87.2Confident85Confident29 Ų2960.9 Ų60.911%0.10935%0.346CS..G310 helixtrans-123.618175.7-61.1-62.6-179.3-102.46.7111.5V32 L33 P34 K46 L67 P68 N69V32-R36 HydrophobicContact CG1-CG 4.01Å; V32-R36 PolarHBondContact O-N 3.19Å; L33-R36 CarbonylContact O-C 3.6Å; L33-R36 WeakPolarHBondContact O-CA 3.43Å; L33-R36 PolarHBondContact O-N 2.99Å; P34-R36 PolarHBondContact O-N 3.22Å; R36-K46 PolarHBondContact NH1-O 3.47Å; R36-K46 VanDerWaalsContact NH1-O 3.12Å; R36-K46 PolarHBondContact NH2-O 3Å; R36-L67 HydrophobicContact CB-CD2 4.29Å; R36-P68 PolarHBondContact NE-O 2.93Å; R36-P68 PolarHBondContact NH2-O 3.37Å; R36-N69 PolarHBondContact NH2-O 3.14Å
37S83.4Confident85.8Confident13 Ų1360.4 Ų60.49%0.09134%0.344CS..  trans-55.1142.8173.1175.80000110.3L33 P34 S39 I40 G207L33-S37 PolarHBondContact O-N 3.38Å; P34-S37 WeakPolarHBondContact O-CB 3.03Å; P34-S37 PolarHBondContact O-N 2.99Å; S37-S39 WeakPolarHBondContact CB-OG 3.26Å; S37-S39 PolarHBondContact O-N 3.44Å; S37-S39 VanDerWaalsContact O-N 3.11Å; S37-S39 PolarHBondContact OG-N 2.95Å; S37-S39 PolarHBondContact OG-OG 2.99Å; S37-I40 PolarHBondContact O-N 3.46Å; S37-I40 VanDerWaalsContact O-N 3.07Å; S37-G207 PolarHBondContact OG-O 2.84Å
38T80.1Confident86.5Confident149 Ų14959 Ų5991%0.91433%0.33SS*.THydrogen-bonded Turntrans-65.2-9.6174.352.70000113.2
39S80.3Confident86.8Confident90 Ų9058.9 Ų58.963%0.62933%0.329SS*.THydrogen-bonded Turntrans-69.4-20.5170.861.10000113.4S37S37-S39 WeakPolarHBondContact CB-OG 3.26Å; S37-S39 PolarHBondContact O-N 3.44Å; S37-S39 VanDerWaalsContact O-N 3.11Å; S37-S39 PolarHBondContact OG-N 2.95Å; S37-S39 PolarHBondContact OG-OG 2.99Å
40I84.8Confident87.2Confident59 Ų5958.2 Ų58.230%0.30332%0.323SS..SBendtrans-99.2124.5-180-54171.4000108.6S37 E44 L45S37-I40 PolarHBondContact O-N 3.46Å; S37-I40 VanDerWaalsContact O-N 3.07Å; I40-E44 HydrophobicContact CG2-CB 4.14Å; I40-L45 HydrophobicContact CB-CD2 4.05Å; I40-L45 HydrophobicContact CG2-CD2 3.79Å; I40-L45 HydrophobicContact CG2-CG 4.49Å
41P86.6Confident87.6Confident53 Ų5354 Ų5434%0.34429%0.294SS..  trans-65.4148.7178.128.1-33.2000110.8E43 E44 L45P41-E43 PolarHBondContact O-N 3.13Å; P41-E43 VanDerWaalsContact O-N 3.13Å; P41-E44 HydrophobicContact CG-CB 3.92Å; P41-E44 HydrophobicContact CG-CG 3.73Å; P41-E44 PolarHBondContact O-N 2.88Å; P41-L45 PolarHBondContact O-N 3.41Å
42V83.9Confident87.7Confident106 Ų10651.3 Ų51.364%0.64228%0.282SS*.G310 helixtrans-59.2-32.2-172.6178.70000111.5E44 L45V42-E44 VanDerWaalsContact C-N 3.31Å; V42-E44 PolarHBondContact O-N 3.42Å; V42-L45 HydrophobicContact CB-CD1 4.48Å; V42-L45 HydrophobicContact CG1-CD1 4.38Å; V42-L45 WeakPolarHBondContact O-CB 3.07Å; V42-L45 PolarHBondContact O-N 3.25Å
43E86.2Confident87.5Confident168 Ų16854.9 Ų54.979%0.78530%0.298SS*.G310 helixtrans-69.3-26.9179.8-58.274.5-16100113P41P41-E43 PolarHBondContact O-N 3.13Å; P41-E43 VanDerWaalsContact O-N 3.13Å
44E87.8Confident87.4Confident139 Ų13954.8 Ų54.865%0.6531%0.305SS*.G310 helixtrans-93.9-3.6178.9-66.6-179.4-173.200112.7I40 P41 V42 K46I40-E44 HydrophobicContact CG2-CB 4.14Å; P41-E44 HydrophobicContact CG-CB 3.92Å; P41-E44 HydrophobicContact CG-CG 3.73Å; P41-E44 PolarHBondContact O-N 2.88Å; V42-E44 VanDerWaalsContact C-N 3.31Å; V42-E44 PolarHBondContact O-N 3.42Å; E44-K46 PolarHBondContact O-N 3Å
45L89.1Confident87.2Confident22 Ų2260 Ų6012%0.11532%0.323CS..  trans-65.9108.9179.7-69.5179000111.4I40 P41 V42 P68I40-L45 HydrophobicContact CB-CD2 4.05Å; I40-L45 HydrophobicContact CG2-CD2 3.79Å; I40-L45 HydrophobicContact CG2-CG 4.49Å; P41-L45 PolarHBondContact O-N 3.41Å; V42-L45 HydrophobicContact CB-CD1 4.48Å; V42-L45 HydrophobicContact CG1-CD1 4.38Å; V42-L45 WeakPolarHBondContact O-CB 3.07Å; V42-L45 PolarHBondContact O-N 3.25Å; L45-P68 HydrophobicContact CD1-CG 4.19Å
46K90.9Very high86.7Confident72 Ų7257.9 Ų57.931%0.31331%0.312SS..  trans-68130.6174.4-62.9-172.9175.9-171.60111.1N11 I13 R36 E44 S92N11-K46 PolarHBondContact OD1-NZ 3.15Å; I13-K46 HydrophobicContact CD1-CB 4.08Å; I13-K46 HydrophobicContact CD1-CD 4.33Å; I13-K46 HydrophobicContact CG1-CB 4.11Å; I13-K46 HydrophobicContact CG1-CD 4.2Å; R36-K46 PolarHBondContact NH1-O 3.47Å; R36-K46 VanDerWaalsContact NH1-O 3.12Å; R36-K46 PolarHBondContact NH2-O 3Å; E44-K46 PolarHBondContact O-N 3Å; K46-S92 PolarHBondContact NZ-OG 3.3Å
47P91.5Very high86.5Confident32 Ų3257.4 Ų57.421%0.20831%0.312CS..  trans-57139.2170-24.534.3000111.3F9 H12 I13 N69 Y71F9-P47 HydrophobicContact CD1-CB 4.49Å; H12-P47 WeakPolarHBondContact CA-O 3.37Å; H12-P47 HydrophobicContact CB-CB 4.05Å; H12-P47 HydrophobicContact CB-CG 4.49Å; H12-P47 WeakPolarHBondContact CB-O 3.29Å; I13-P47 PolarHBondContact N-O 3.43Å; P47-N69 WeakPolarHBondContact CA-O 3.23Å; P47-Y71 HydrophobicContact CB-CD2 4.36Å; P47-Y71 HydrophobicContact CB-CE2 4.09Å
48I92.7Very high86.5Confident0 Ų062.8 Ų62.80%034%0.335CS..EExtended strand (participates in β ladder)trans-110.6123.3176.1-64.6167.4000108.3I13 V15 V32 L35 I50 N69 Y71I13-I48 HydrophobicContact CB-CG1 4.19Å; I13-I48 HydrophobicContact CD1-CG1 4.39Å; I13-I48 CarbonylContact O-C 3.59Å; I13-I48 WeakPolarHBondContact O-CA 3.36Å; V15-I48 HydrophobicContact CG2-CG2 3.95Å; V32-I48 HydrophobicContact CG1-CD1 3.78Å; V32-I48 HydrophobicContact CG2-CD1 4.36Å; L35-I48 HydrophobicContact CB-CD1 4.13Å; L35-I48 HydrophobicContact CD1-CD1 3.84Å; I48-I50 HydrophobicContact CG2-CG1 4.07Å; I48-N69 PolarHBondContact N-O 3.25Å; I48-Y71 PolarHBondContact O-N 2.85Å
49I91.9Very high86.3Confident0 Ų059 Ų590%031%0.31CS..EExtended strand (participates in β ladder)trans-108.1111.9175.1-53.9-176.4000108.5M4 F9 H12 I13 I14 V15 Y71 F73 A86M4-I49 HydrophobicContact CE-CD1 4.33Å; M4-I49 HydrophobicContact CE-CG2 3.94Å; F9-I49 HydrophobicContact CB-CD1 4.16Å; F9-I49 HydrophobicContact CD1-CD1 4.45Å; F9-I49 HydrophobicContact CD2-CD1 3.63Å; F9-I49 HydrophobicContact CE2-CD1 4.08Å; F9-I49 HydrophobicContact CG-CD1 3.83Å; H12-I49 WeakPolarHBondContact CD2-CD1 3Å; I13-I49 PolarHBondContact O-N 3.42Å; I14-I49 CarbonylContact C-O 3.54Å; I14-I49 WeakPolarHBondContact CA-O 3.45Å; V15-I49 PolarHBondContact N-O 2.95Å; I49-Y71 CarbonylContact C-O 3.55Å; I49-Y71 WeakPolarHBondContact CA-O 3.46Å; I49-F73 HydrophobicContact CG2-CB 4.44Å; I49-A86 HydrophobicContact CG2-CB 4.33Å
50I91.8Very high86.3Confident1 Ų155 Ų551%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-91.2117177.3-55.9177.1000108.6I17 L28 I48 C52 I57 L64 I70 Y71 V72 F73I17-I50 HydrophobicContact CD1-CG2 3.52Å; I17-I50 HydrophobicContact CG1-CG2 4.27Å; L28-I50 HydrophobicContact CD1-CD1 4.48Å; L28-I50 HydrophobicContact CD1-CG2 4.47Å; I48-I50 HydrophobicContact CG2-CG1 4.07Å; I50-C52 HydrophobicContact CG2-CB 4.42Å; I50-I57 HydrophobicContact CD1-CD1 4.48Å; I50-L64 HydrophobicContact CD1-CD1 3.66Å; I50-I70 HydrophobicContact CD1-CG2 3.94Å; I50-I70 HydrophobicContact CG1-CG2 4.47Å; I50-Y71 PolarHBondContact N-O 2.96Å; I50-V72 HydrophobicContact CB-CG2 4.48Å; I50-V72 WeakPolarHBondContact O-CA 3.35Å; I50-F73 PolarHBondContact O-N 3.37Å
51L91.7Very high86.3Confident0 Ų055.3 Ų55.30%028%0.278CS..EExtended strand (participates in β ladder)trans-104.7104.5178.6177.558.2000109.6V15 I17 F73 P77 N82 L83V15-L51 PolarHBondContact O-N 3.02Å; I17-L51 PolarHBondContact N-O 3.33Å; L51-F73 HydrophobicContact CD1-CB 4.15Å; L51-F73 HydrophobicContact CD1-CD1 3.22Å; L51-F73 HydrophobicContact CD1-CE1 3.95Å; L51-F73 HydrophobicContact CD1-CG 4.06Å; L51-P77 HydrophobicContact CD2-CB 3.77Å; L51-P77 HydrophobicContact CG-CB 3.94Å; L51-N82 HydrophobicContact CD1-CB 4.11Å; L51-L83 HydrophobicContact CD2-CD2 3.67Å; L51-L83 HydrophobicContact CD2-CG 4.35Å
52C89.3Confident85.9Confident0 Ų060.9 Ų60.90%029%0.293CS..EExtended strand (participates in β ladder)trans-152.9168.7-175.468.90000112.7I17 I50 V56 F73 S74 G75I17-C52 HydrophobicContact CB-CB 3.86Å; I17-C52 HydrophobicContact CD1-CB 3.96Å; I17-C52 HydrophobicContact CG1-CB 4.26Å; I50-C52 HydrophobicContact CG2-CB 4.42Å; C52-V56 HydrophobicContact CB-CB 4.42Å; C52-F73 PolarHBondContact N-O 3.11Å; C52-S74 CarbonylContact O-C 3.57Å; C52-S74 WeakPolarHBondContact O-CA 2.98Å; C52-G75 CarbonylContact C-O 3.56Å; C52-G75 VanDerWaalsContact C-O 3.27Å; C52-G75 PolarHBondContact O-N 3.09Å
53E85.1Confident85.5Confident76 Ų7657.8 Ų57.836%0.35528%0.276SS..  trans-67.3146.9167.9-64.9-174.9-174.400110.9K55 V56E53-K55 PolarHBondContact O-N 3.37Å; E53-K55 VanDerWaalsContact O-N 3.16Å; E53-V56 HydrophobicContact CB-CG2 4.49Å; E53-V56 PolarHBondContact O-N 2.98Å
54A84.7Confident85.2Confident45 Ų4549.8 Ų49.837%0.37224%0.238SC..Hα-helixtrans-56.3-35.2-176.800000113.3V56 I57 E58A54-V56 VanDerWaalsContact C-N 3.26Å; A54-V56 PolarHBondContact O-N 3.19Å; A54-I57 WeakPolarHBondContact O-CG2 3.22Å; A54-I57 PolarHBondContact O-N 3.11Å; A54-E58 WeakPolarHBondContact O-CG 2.98Å; A54-E58 PolarHBondContact O-N 3.1Å
55K81.9Confident84.8Confident151 Ų15148.6 Ų48.666%0.65723%0.231SC*.Hα-helixtrans-64.6-28.3-179.9-63.8179.6-179.4175.50113.6E53E53-K55 PolarHBondContact O-N 3.37Å; E53-K55 VanDerWaalsContact O-N 3.16Å
56V80.4Confident84.1Confident11 Ų1149.9 Ų49.97%0.06724%0.238CC..Hα-helixtrans-74.8-46.8-179.5176.30000109.6I17 Q20 C52 E53 A54 E58 N59I17-V56 HydrophobicContact CD1-CG1 4.46Å; I17-V56 HydrophobicContact CG2-CG1 4.24Å; Q20-V56 HydrophobicContact CB-CG2 4.31Å; Q20-V56 HydrophobicContact CG-CG1 4.18Å; Q20-V56 HydrophobicContact CG-CG2 3.85Å; C52-V56 HydrophobicContact CB-CB 4.42Å; E53-V56 HydrophobicContact CB-CG2 4.49Å; E53-V56 PolarHBondContact O-N 2.98Å; A54-V56 VanDerWaalsContact C-N 3.26Å; A54-V56 PolarHBondContact O-N 3.19Å; V56-E58 PolarHBondContact O-N 3.44Å; V56-N59 PolarHBondContact O-N 3.47Å
57I83Confident83.7Confident18 Ų1847.5 Ų47.59%0.09223%0.229CC..Hα-helixtrans-68.5-35.4-176.6-164.671.7000112.4L28 I50 A54 N59 E60 W61 L64 V72L28-I57 HydrophobicContact CD1-CD1 4.46Å; I50-I57 HydrophobicContact CD1-CD1 4.48Å; A54-I57 WeakPolarHBondContact O-CG2 3.22Å; A54-I57 PolarHBondContact O-N 3.11Å; I57-N59 PolarHBondContact O-N 2.87Å; I57-N59 VanDerWaalsContact O-N 3.1Å; I57-E60 PolarHBondContact O-N 3.39Å; I57-W61 HydrophobicContact CD1-CE3 4Å; I57-W61 HydrophobicContact CG1-CB 4.37Å; I57-W61 HydrophobicContact CG1-CE3 3.93Å; I57-W61 VanDerWaalsContact O-CB 3.26Å; I57-W61 WeakPolarHBondContact O-CB 3.45Å; I57-W61 PolarHBondContact O-N 3.04Å; I57-L64 HydrophobicContact CD1-CD1 4.04Å; I57-V72 HydrophobicContact CB-CG1 4.13Å; I57-V72 HydrophobicContact CD1-CG1 4.23Å; I57-V72 HydrophobicContact CD1-CG2 3.72Å; I57-V72 HydrophobicContact CG1-CB 4.41Å; I57-V72 HydrophobicContact CG1-CG1 3.81Å; I57-V72 HydrophobicContact CG1-CG2 3.8Å; I57-V72 HydrophobicContact CG2-CG1 4.08Å
58E82.1Confident83.4Confident127 Ų12748.4 Ų48.459%0.59323%0.234SC*.Hα-helixtrans-54.7-33.6178.8-76.3169.4-167.300112.9A54 V56A54-E58 WeakPolarHBondContact O-CG 2.98Å; A54-E58 PolarHBondContact O-N 3.1Å; V56-E58 PolarHBondContact O-N 3.44Å
59N77.4Confident83.1Confident70 Ų7051 Ų5137%0.37425%0.248SC..Hα-helixtrans-79.5-29.5179.6-69-25.8000113.5V56 I57V56-N59 PolarHBondContact O-N 3.47Å; I57-N59 PolarHBondContact O-N 2.87Å; I57-N59 VanDerWaalsContact O-N 3.1Å
60E80.4Confident82.9Confident5 Ų551.8 Ų51.82%0.02325%0.252CS..Hα-helixtrans-101.7-19.5-173-67-77.1166.100112.8K25 T26 G27 L28 I57 R62 S63K25-E60 VanDerWaalsContact C-OE1 3.26Å; K25-E60 WeakPolarHBondContact CA-OE1 3.4Å; K25-E60 WeakPolarHBondContact CB-OE1 3.44Å; K25-E60 WeakPolarHBondContact CG-OE1 3.32Å; T26-E60 PolarHBondContact N-OE1 2.98Å; G27-E60 PolarHBondContact N-OE1 3.12Å; L28-E60 HydrophobicContact CD1-CB 3.97Å; L28-E60 HydrophobicContact CD1-CG 4.04Å; L28-E60 HydrophobicContact CG-CB 4.48Å; L28-E60 HydrophobicContact CG-CG 4.24Å; L28-E60 PolarHBondContact N-OE2 3.41Å; L28-E60 VanDerWaalsContact N-OE2 3.11Å; I57-E60 PolarHBondContact O-N 3.39Å; E60-R62 PolarHBondContact O-N 2.9Å; E60-R62 VanDerWaalsContact O-N 3.13Å; E60-S63 PolarHBondContact O-N 2.75Å
61W83Confident82.7Confident65 Ų6554.8 Ų54.825%0.24626%0.264CS..Hα-helixtrans-59.1-32.5-172.4-171.4-116.6000113.1I57 S63 L64 K65 I70 V72I57-W61 HydrophobicContact CD1-CE3 4Å; I57-W61 HydrophobicContact CG1-CB 4.37Å; I57-W61 HydrophobicContact CG1-CE3 3.93Å; I57-W61 VanDerWaalsContact O-CB 3.26Å; I57-W61 WeakPolarHBondContact O-CB 3.45Å; I57-W61 PolarHBondContact O-N 3.04Å; W61-S63 PolarHBondContact O-N 2.91Å; W61-L64 HydrophobicContact CE3-CB 4.23Å; W61-L64 HydrophobicContact CZ3-CB 4.46Å; W61-L64 PolarHBondContact O-N 2.84Å; W61-K65 WeakPolarHBondContact O-CB 3.46Å; W61-K65 PolarHBondContact O-N 3.34Å; W61-I70 HydrophobicContact CZ3-CG2 4.33Å; W61-V72 HydrophobicContact CE3-CG2 3.93Å; W61-V72 HydrophobicContact CH2-CG2 4.15Å; W61-V72 HydrophobicContact CZ3-CG2 3.38Å
62R78.9Confident82.5Confident171 Ų17156.3 Ų56.365%0.64527%0.273SS*.Hα-helixtrans-55.5-34177.1-67.1-171.7-179.595.6-2.8112.7E60E60-R62 PolarHBondContact O-N 2.9Å; E60-R62 VanDerWaalsContact O-N 3.13Å
63S75.9Confident82.4Confident41 Ų4157 Ų5729%0.28728%0.276SS..Hα-helixtrans-87-21.8-179.3-50.20000112.9E60 W61E60-S63 PolarHBondContact O-N 2.75Å; W61-S63 PolarHBondContact O-N 2.91Å
64L80.4Confident82.5Confident0 Ų055.3 Ų55.30%027%0.273CS..Hα-helixtrans-96.7-26.7-175.9-63.5177.6000113.8L28 V32 I50 I57 W61 N66 L67 I70L28-L64 HydrophobicContact CB-CD1 4.02Å; L28-L64 HydrophobicContact CB-CD2 4.31Å; L28-L64 HydrophobicContact CD1-CD1 4.16Å; V32-L64 HydrophobicContact CB-CD2 4.1Å; V32-L64 HydrophobicContact CG2-CD2 3.93Å; I50-L64 HydrophobicContact CD1-CD1 3.66Å; I57-L64 HydrophobicContact CD1-CD1 4.04Å; W61-L64 HydrophobicContact CE3-CB 4.23Å; W61-L64 HydrophobicContact CZ3-CB 4.46Å; W61-L64 PolarHBondContact O-N 2.84Å; L64-N66 PolarHBondContact O-N 3.29Å; L64-L67 HydrophobicContact CD2-CD1 4.32Å; L64-L67 WeakPolarHBondContact O-CB 3.37Å; L64-L67 PolarHBondContact O-N 3.35Å; L64-I70 HydrophobicContact CB-CD1 4.29Å; L64-I70 HydrophobicContact CD2-CD1 4.35Å
65K78.5Confident82.6Confident113 Ų11354 Ų5449%0.49126%0.263SS..THydrogen-bonded Turntrans-54.4-22.7-171.465.3175.8-175.6172.30115.7W61W61-K65 WeakPolarHBondContact O-CB 3.46Å; W61-K65 PolarHBondContact O-N 3.34Å
66N75.3Confident83Confident50 Ų5048.8 Ų48.827%0.26725%0.246SC..THydrogen-bonded Turntrans-97.14.6-175.8-60.8-37.6000113.1L64 F223L64-N66 PolarHBondContact O-N 3.29Å; N66-F223 HydrophobicContact CB-CB 4.35Å; N66-F223 VanDerWaalsContact CB-O 3.28Å; N66-F223 WeakPolarHBondContact CB-O 3.42Å; N66-F223 PolarHBondContact ND2-O 3.24Å
67L82.1Confident83.5Confident22 Ų2248.5 Ų48.512%0.11524%0.244CC..SBendtrans-105.1137.8-177.8-63.1172.9000110.5V32 L33 R36 L64 I70V32-L67 HydrophobicContact CB-CD1 4.25Å; V32-L67 HydrophobicContact CG1-CD1 3.79Å; L33-L67 HydrophobicContact CD2-CD1 3.94Å; L33-L67 HydrophobicContact CD2-CD2 3.85Å; L33-L67 HydrophobicContact CD2-CG 4.5Å; R36-L67 HydrophobicContact CB-CD2 4.29Å; L64-L67 HydrophobicContact CD2-CD1 4.32Å; L64-L67 WeakPolarHBondContact O-CB 3.37Å; L64-L67 PolarHBondContact O-N 3.35Å; L67-I70 HydrophobicContact CB-CD1 3.43Å; L67-I70 VanDerWaalsContact CB-CD1 3.43Å; L67-I70 HydrophobicContact CB-CG1 4.31Å; L67-I70 HydrophobicContact CD1-CD1 4.09Å; L67-I70 HydrophobicContact CG-CD1 4.38Å
68P84.2Confident84Confident50 Ų5050.5 Ų50.533%0.32526%0.255SS..SBendtrans-75.2156.6-174.130.5-35.4000112.8R36 L45 I70R36-P68 PolarHBondContact NE-O 2.93Å; R36-P68 PolarHBondContact NH2-O 3.37Å; L45-P68 HydrophobicContact CD1-CG 4.19Å; P68-I70 VanDerWaalsContact C-N 3.31Å; P68-I70 PolarHBondContact O-N 2.6Å
69N86.1Confident84.4Confident54 Ų5448.2 Ų48.229%0.28925%0.247SC..SBendtrans53.642.4172.7-58.2-11.8000113.7R36 P47 I48R36-N69 PolarHBondContact NH2-O 3.14Å; P47-N69 WeakPolarHBondContact CA-O 3.23Å; I48-N69 PolarHBondContact N-O 3.25Å
70I88.1Confident85.1Confident18 Ų1850.1 Ų50.19%0.09225%0.249CC..EExtended strand (participates in β ladder)trans-108.8125.6172.1-56.9-179.3000108.7V32 I50 W61 L64 L67 P68V32-I70 HydrophobicContact CG1-CD1 3.65Å; V32-I70 HydrophobicContact CG1-CG1 4.33Å; I50-I70 HydrophobicContact CD1-CG2 3.94Å; I50-I70 HydrophobicContact CG1-CG2 4.47Å; W61-I70 HydrophobicContact CZ3-CG2 4.33Å; L64-I70 HydrophobicContact CB-CD1 4.29Å; L64-I70 HydrophobicContact CD2-CD1 4.35Å; L67-I70 HydrophobicContact CB-CD1 3.43Å; L67-I70 VanDerWaalsContact CB-CD1 3.43Å; L67-I70 HydrophobicContact CB-CG1 4.31Å; L67-I70 HydrophobicContact CD1-CD1 4.09Å; L67-I70 HydrophobicContact CG-CD1 4.38Å; P68-I70 VanDerWaalsContact C-N 3.31Å; P68-I70 PolarHBondContact O-N 2.6Å
71Y88.9Confident85.5Confident64 Ų6452.6 Ų52.625%0.25127%0.27SS..EExtended strand (participates in β ladder)trans-121142.6177.3-57.7-82.3000109.2F9 P47 I48 I49 I50F9-Y71 HydrophobicContact CE1-CD2 4.01Å; F9-Y71 AromaticContact CE1-CE2 3.79Å; F9-Y71 HydrophobicContact CE1-CE2 3.79Å; F9-Y71 HydrophobicContact CZ-CD1 4.3Å; F9-Y71 HydrophobicContact CZ-CD2 4.15Å; F9-Y71 HydrophobicContact CZ-CE1 4.37Å; F9-Y71 HydrophobicContact CZ-CE2 4.22Å; F9-Y71 HydrophobicContact CZ-CG 4.18Å; P47-Y71 HydrophobicContact CB-CD2 4.36Å; P47-Y71 HydrophobicContact CB-CE2 4.09Å; I48-Y71 PolarHBondContact O-N 2.85Å; I49-Y71 CarbonylContact C-O 3.55Å; I49-Y71 WeakPolarHBondContact CA-O 3.46Å; I50-Y71 PolarHBondContact N-O 2.96Å
72V87.2Confident85.9Confident32 Ų3250.2 Ų50.219%0.19426%0.262CS..EExtended strand (participates in β ladder)trans-117.5127.3178.5-179.90000108.9I50 I57 W61I50-V72 HydrophobicContact CB-CG2 4.48Å; I50-V72 WeakPolarHBondContact O-CA 3.35Å; I57-V72 HydrophobicContact CB-CG1 4.13Å; I57-V72 HydrophobicContact CD1-CG1 4.23Å; I57-V72 HydrophobicContact CD1-CG2 3.72Å; I57-V72 HydrophobicContact CG1-CB 4.41Å; I57-V72 HydrophobicContact CG1-CG1 3.81Å; I57-V72 HydrophobicContact CG1-CG2 3.8Å; I57-V72 HydrophobicContact CG2-CG1 4.08Å; W61-V72 HydrophobicContact CE3-CG2 3.93Å; W61-V72 HydrophobicContact CH2-CG2 4.15Å; W61-V72 HydrophobicContact CZ3-CG2 3.38Å
73F86.3Confident86.4Confident13 Ų1342 Ų426%0.05723%0.231CC..EExtended strand (participates in β ladder)trans-109.3110.5169.8-172.4-83.6000109.2M4 I49 I50 L51 C52 G75 N82 A85M4-F73 HydrophobicContact CE-CB 4.04Å; M4-F73 HydrophobicContact CE-CD2 3.7Å; M4-F73 HydrophobicContact CE-CG 4.25Å; M4-F73 HydrophobicContact SD-CB 4.07Å; M4-F73 HydrophobicContact SD-CD2 3.51Å; M4-F73 VanDerWaalsContact SD-CD2 3.51Å; M4-F73 HydrophobicContact SD-CE2 4.46Å; M4-F73 HydrophobicContact SD-CG 4.26Å; I49-F73 HydrophobicContact CG2-CB 4.44Å; I50-F73 PolarHBondContact O-N 3.37Å; L51-F73 HydrophobicContact CD1-CB 4.15Å; L51-F73 HydrophobicContact CD1-CD1 3.22Å; L51-F73 HydrophobicContact CD1-CE1 3.95Å; L51-F73 HydrophobicContact CD1-CG 4.06Å; C52-F73 PolarHBondContact N-O 3.11Å; F73-G75 PolarHBondContact O-N 3.11Å; F73-N82 HydrophobicContact CD1-CB 4.3Å; F73-N82 HydrophobicContact CE1-CB 3.53Å; F73-N82 VanDerWaalsContact CE1-CG 3.43Å; F73-N82 WeakPolarHBondContact CE1-OD1 3.29Å; F73-N82 HydrophobicContact CZ-CB 4.19Å; F73-A85 HydrophobicContact CE2-CB 4.04Å; F73-A85 HydrophobicContact CZ-CB 4.11Å
74S86.5Confident87.1Confident42 Ų4246.7 Ų46.729%0.29424%0.243SC..EExtended strand (participates in β ladder)trans-72.8114174.552.80000110.4C52C52-S74 CarbonylContact O-C 3.57Å; C52-S74 WeakPolarHBondContact O-CA 2.98Å
75G87.6Confident87.4Confident16 Ų1647.7 Ų47.717%0.16525%0.251CS..SBendtrans166.4157.9179.300000112.7C52 F73C52-G75 CarbonylContact C-O 3.56Å; C52-G75 VanDerWaalsContact C-O 3.27Å; C52-G75 PolarHBondContact O-N 3.09Å; F73-G75 PolarHBondContact O-N 3.11Å
76S90.1Very high87.8Confident43 Ų4342.4 Ų42.430%0.30123%0.228SC..  trans-70.9132.8174.1178.40000110.6L78 N79 N82S76-L78 PolarHBondContact O-N 3.32Å; S76-L78 PolarHBondContact OG-N 3.27Å; S76-N79 PolarHBondContact O-N 2.94Å; S76-N82 PolarHBondContact N-ND2 3.07Å; S76-N82 PolarHBondContact O-ND2 3.44Å
77P91.7Very high88.4Confident4 Ų440.7 Ų40.73%0.02622%0.222CC..THydrogen-bonded Turntrans-70.5-10.8173.427-32.5000113.7C16 M18 L51 N79 L83C16-P77 HydrophobicContact CB-CB 3.74Å; C16-P77 HydrophobicContact CB-CG 4.33Å; M18-P77 HydrophobicContact CE-CB 3.75Å; M18-P77 HydrophobicContact CE-CG 3.18Å; M18-P77 HydrophobicContact SD-CG 3.88Å; L51-P77 HydrophobicContact CD2-CB 3.77Å; L51-P77 HydrophobicContact CG-CB 3.94Å; P77-N79 VanDerWaalsContact C-N 3.29Å; P77-L83 WeakPolarHBondContact O-CD1 3.32Å; P77-L83 WeakPolarHBondContact O-CG 3.4Å
78L92.3Very high88.8Confident61 Ų6139.7 Ų39.732%0.31922%0.217SC..THydrogen-bonded Turntrans-75.4-20.8172.5-64.2174.2000112.3S76 R80 L117 C118 N121S76-L78 PolarHBondContact O-N 3.32Å; S76-L78 PolarHBondContact OG-N 3.27Å; L78-R80 PolarHBondContact O-N 2.93Å; L78-L117 HydrophobicContact CD2-CB 4.05Å; L78-C118 HydrophobicContact CD2-CB 3.93Å; L78-N121 PolarHBondContact O-ND2 3.33Å
79N92.2Very high89Confident79 Ų7940.5 Ų40.542%0.42222%0.217SC..  trans-80.2117.3177.6-175.7-5.1000110.7S76 P77 A81 N82 L83S76-N79 PolarHBondContact O-N 2.94Å; P77-N79 VanDerWaalsContact C-N 3.29Å; N79-A81 PolarHBondContact O-N 3.26Å; N79-A81 WeakPolarHBondContact OD1-CB 3.5Å; N79-A81 PolarHBondContact OD1-N 3.19Å; N79-N82 HydrophobicContact CB-CB 4.36Å; N79-N82 WeakPolarHBondContact O-CB 3.43Å; N79-N82 PolarHBondContact O-N 2.84Å; N79-L83 PolarHBondContact O-N 2.92Å
80R90.8Very high89Confident110 Ų11044.4 Ų44.442%0.41523%0.227SC..Hα-helixtrans-56.7-34.3178.2-69.5-176.6174-173.1-4.8113.5L78 N82 L83 R84 N121 L125L78-R80 PolarHBondContact O-N 2.93Å; R80-N82 VanDerWaalsContact C-N 3.28Å; R80-N82 PolarHBondContact O-N 3.18Å; R80-L83 PolarHBondContact O-N 3.24Å; R80-R84 WeakPolarHBondContact O-CG 3.17Å; R80-R84 PolarHBondContact O-N 3.46Å; R80-N121 VanDerWaalsContact CG-OD1 3.29Å; R80-N121 WeakPolarHBondContact CG-OD1 3.47Å; R80-N121 PolarHBondContact NE-OD1 2.97Å; R80-N121 PolarHBondContact NH2-OD1 2.82Å; R80-L125 HydrophobicContact CB-CD1 4.31Å; R80-L125 HydrophobicContact CB-CD2 4.28Å; R80-L125 HydrophobicContact CG-CD1 4.15Å; R80-L125 HydrophobicContact CG-CD2 4.17Å; R80-L125 HydrophobicContact CG-CG 4.33Å
81A89.9Confident89.2Confident57 Ų5743.9 Ų43.947%0.47123%0.225SC..Hα-helixtrans-63.9-37.317900000111.6N79 A85N79-A81 PolarHBondContact O-N 3.26Å; N79-A81 WeakPolarHBondContact OD1-CB 3.5Å; N79-A81 PolarHBondContact OD1-N 3.19Å; A81-A85 VanDerWaalsContact O-CB 3.29Å; A81-A85 WeakPolarHBondContact O-CB 3.31Å; A81-A85 PolarHBondContact O-N 3.14Å
82N90.5Very high89.4Confident14 Ų1442 Ų428%0.07522%0.221CC..Hα-helixtrans-69.9-43.8177.9-64.6-13.3000111.2L51 F73 S76 N79 R80 R84 A85 A86L51-N82 HydrophobicContact CD1-CB 4.11Å; F73-N82 HydrophobicContact CD1-CB 4.3Å; F73-N82 HydrophobicContact CE1-CB 3.53Å; F73-N82 VanDerWaalsContact CE1-CG 3.43Å; F73-N82 WeakPolarHBondContact CE1-OD1 3.29Å; F73-N82 HydrophobicContact CZ-CB 4.19Å; S76-N82 PolarHBondContact N-ND2 3.07Å; S76-N82 PolarHBondContact O-ND2 3.44Å; N79-N82 HydrophobicContact CB-CB 4.36Å; N79-N82 WeakPolarHBondContact O-CB 3.43Å; N79-N82 PolarHBondContact O-N 2.84Å; R80-N82 VanDerWaalsContact C-N 3.28Å; R80-N82 PolarHBondContact O-N 3.18Å; N82-R84 VanDerWaalsContact C-N 3.34Å; N82-R84 PolarHBondContact O-N 2.93Å; N82-A85 PolarHBondContact O-N 2.98Å; N82-A86 WeakPolarHBondContact O-CB 3.45Å; N82-A86 PolarHBondContact O-N 3.28Å
83L90.8Very high89.7Confident0 Ų041.5 Ų41.50%022%0.218CC..Hα-helixtrans-60.7-41.9175.8-70.2172.3000112.3L51 P77 N79 R80 A86 G87 V88 I122 L125L51-L83 HydrophobicContact CD2-CD2 3.67Å; L51-L83 HydrophobicContact CD2-CG 4.35Å; P77-L83 WeakPolarHBondContact O-CD1 3.32Å; P77-L83 WeakPolarHBondContact O-CG 3.4Å; N79-L83 PolarHBondContact O-N 2.92Å; R80-L83 PolarHBondContact O-N 3.24Å; L83-A86 PolarHBondContact O-N 3.2Å; L83-G87 PolarHBondContact O-N 3.03Å; L83-V88 HydrophobicContact CB-CB 4.45Å; L83-V88 HydrophobicContact CB-CG1 4.14Å; L83-V88 PolarHBondContact O-N 3.19Å; L83-V88 VanDerWaalsContact O-N 3.11Å; L83-I122 HydrophobicContact CD1-CG1 3.81Å; L83-I122 HydrophobicContact CD2-CD1 4.35Å; L83-I122 HydrophobicContact CD2-CG1 4.1Å; L83-L125 HydrophobicContact CB-CD1 3.86Å; L83-L125 HydrophobicContact CD1-CD1 3.72Å; L83-L125 HydrophobicContact CG-CD1 4.47Å
84R88.9Confident90.1Very high139 Ų13940.9 Ų40.953%0.52522%0.215SC..Hα-helixtrans-66.3-42.7174.6-74.7-177.4176.9166.62.6112.1R80 N82 A86 G87 L125R80-R84 WeakPolarHBondContact O-CG 3.17Å; R80-R84 PolarHBondContact O-N 3.46Å; N82-R84 VanDerWaalsContact C-N 3.34Å; N82-R84 PolarHBondContact O-N 2.93Å; R84-A86 VanDerWaalsContact C-N 3.27Å; R84-A86 PolarHBondContact O-N 2.74Å; R84-G87 PolarHBondContact O-N 3.08Å; R84-L125 HydrophobicContact CG-CD2 4.45Å
85A87.1Confident90.6Very high21 Ų2139.5 Ų39.517%0.17421%0.205CC..Hα-helixtrans-64.7-31.8176.500000112.7F73 A81 N82 G87F73-A85 HydrophobicContact CE2-CB 4.04Å; F73-A85 HydrophobicContact CZ-CB 4.11Å; A81-A85 VanDerWaalsContact O-CB 3.29Å; A81-A85 WeakPolarHBondContact O-CB 3.31Å; A81-A85 PolarHBondContact O-N 3.14Å; N82-A85 PolarHBondContact O-N 2.98Å; A85-G87 PolarHBondContact O-N 2.82Å
86A87Confident90.9Very high1 Ų138.8 Ų38.81%0.00820%0.198CC..THydrogen-bonded Turntrans-76.9-7.1172.200000113.3H12 I14 I49 N82 L83 R84H12-A86 PolarHBondContact NE2-O 2.81Å; I14-A86 HydrophobicContact CD1-CB 4.16Å; I14-A86 WeakPolarHBondContact CD1-O 3.11Å; I49-A86 HydrophobicContact CG2-CB 4.33Å; N82-A86 WeakPolarHBondContact O-CB 3.45Å; N82-A86 PolarHBondContact O-N 3.28Å; L83-A86 PolarHBondContact O-N 3.2Å; R84-A86 VanDerWaalsContact C-N 3.27Å; R84-A86 PolarHBondContact O-N 2.74Å
87G87.9Confident91Very high15 Ų1537.7 Ų37.716%0.15519%0.188CC..THydrogen-bonded Turntrans74.239.5177.300000114.3H12 L83 R84 A85 E89 R90 C91H12-G87 PolarHBondContact CE1-O 3.19Å; H12-G87 VanDerWaalsContact CE1-O 3.3Å; L83-G87 PolarHBondContact O-N 3.03Å; R84-G87 PolarHBondContact O-N 3.08Å; A85-G87 PolarHBondContact O-N 2.82Å; G87-E89 PolarHBondContact O-N 3.16Å; G87-E89 VanDerWaalsContact O-N 3.08Å; G87-R90 PolarHBondContact O-N 3.08Å; G87-C91 PolarHBondContact O-N 3.3Å; G87-C91 VanDerWaalsContact O-N 3.16Å
88V90.4Very high90.5Very high0 Ų038 Ų380%019%0.191CC..THydrogen-bonded Turntrans-55.1-27179.372.40000114.1I14 L83 R90 C91 I122 L125I14-V88 HydrophobicContact CD1-CB 4.07Å; I14-V88 HydrophobicContact CD1-CG2 4.42Å; L83-V88 HydrophobicContact CB-CB 4.45Å; L83-V88 HydrophobicContact CB-CG1 4.14Å; L83-V88 PolarHBondContact O-N 3.19Å; L83-V88 VanDerWaalsContact O-N 3.11Å; V88-R90 VanDerWaalsContact C-N 3.27Å; V88-R90 PolarHBondContact O-N 3.11Å; V88-C91 PolarHBondContact O-SG 3.4Å; V88-I122 HydrophobicContact CG2-CG1 4.42Å; V88-I122 HydrophobicContact CG2-CG2 3.78Å; V88-L125 HydrophobicContact CG1-CD1 4.35Å
89E87.7Confident89.4Confident68 Ų6835.3 Ų35.332%0.31818%0.177SC..THydrogen-bonded Turntrans-75.7-16.5179.3-60.3170.9-157.400112.9G87 T129G87-E89 PolarHBondContact O-N 3.16Å; G87-E89 VanDerWaalsContact O-N 3.08Å; E89-T129 HydrophobicContact CB-CG2 4.39Å; E89-T129 HydrophobicContact CG-CG2 4.31Å; E89-T129 WeakPolarHBondContact CG-OG1 3.49Å; E89-T129 PolarHBondContact OE1-OG1 3.23Å; E89-T129 WeakPolarHBondContact OE2-CG2 3.22Å; E89-T129 PolarHBondContact OE2-OG1 3.17Å
90R87.7Confident88Confident136 Ų13633.1 Ų33.151%0.51317%0.168SC..THydrogen-bonded Turntrans-118.1-0.9-176.1-54.6179.4-170-172.3-0.4113.1N11 G87 V88N11-R90 PolarHBondContact N-O 3.12Å; G87-R90 PolarHBondContact O-N 3.08Å; V88-R90 VanDerWaalsContact C-N 3.27Å; V88-R90 PolarHBondContact O-N 3.11Å
91C92Very high86.5Confident6 Ų633 Ų334%0.04117%0.17CC..  trans-72.4158.7177.972.30000110.3H12 I14 G87 V88 P143H12-C91 WeakPolarHBondContact O-CB 3.48Å; I14-C91 HydrophobicContact CD1-CB 3.8Å; I14-C91 HydrophobicContact CG1-CB 3.89Å; G87-C91 PolarHBondContact O-N 3.3Å; G87-C91 VanDerWaalsContact O-N 3.16Å; V88-C91 PolarHBondContact O-SG 3.4Å; C91-P143 WeakPolarHBondContact O-CB 3.5Å; C91-P143 VanDerWaalsContact SG-CB 3.53Å
92S92.8Very high84.8Confident24 Ų2434.2 Ų34.217%0.16817%0.169CC..SBendtrans-89.2-37.1172.262.40000111.8N11 H12 K46 P143 M144N11-S92 WeakPolarHBondContact OD1-CB 3.2Å; H12-S92 PolarHBondContact O-N 3.35Å; H12-S92 PolarHBondContact O-OG 3.12Å; H12-S92 VanDerWaalsContact O-OG 3.08Å; K46-S92 PolarHBondContact NZ-OG 3.3Å; S92-P143 WeakPolarHBondContact O-CA 3.31Å; S92-M144 PolarHBondContact O-N 3.04Å
93T94Very high83Confident22 Ų2240.6 Ų40.614%0.13520%0.202CC..EExtended strand (participates in β ladder)trans-138.1136.3179.8-52.90000109.4I13 I14 V95 M144I13-T93 CarbonylContact C-O 3.54Å; I13-T93 WeakPolarHBondContact CA-O 3.32Å; I14-T93 PolarHBondContact N-O 2.84Å; T93-V95 HydrophobicContact CG2-CG2 3.91Å; T93-M144 CarbonylContact C-O 3.55Å; T93-M144 VanDerWaalsContact CA-O 3.31Å; T93-M144 WeakPolarHBondContact CA-O 3.48Å; T93-M144 HydrophobicContact CG2-CB 4.43Å; T93-M144 HydrophobicContact CG2-CE 3.58Å
94C95.2Very high81.2Confident0 Ų044 Ų440%023%0.225CC..EExtended strand (participates in β ladder)trans-121.6123.5169.4-173.20000108.7I14 M144 L145 V146I14-C94 CarbonylContact O-C 3.53Å; I14-C94 WeakPolarHBondContact O-CA 3.39Å; C94-M144 PolarHBondContact N-O 2.96Å; C94-L145 HydrophobicContact CB-CD1 3.95Å; C94-L145 WeakPolarHBondContact O-CA 3.21Å; C94-V146 PolarHBondContact O-N 2.83Å
95V95.6Very high79.3Confident14 Ų1440.8 Ų40.89%0.08524%0.235CC..EExtended strand (participates in β ladder)trans-112.2126.9-179.7-175.90000108.8I14 V15 C16 F31 T93 L97 V146I14-V95 PolarHBondContact O-N 3.13Å; V15-V95 CarbonylContact C-O 3.57Å; C16-V95 PolarHBondContact N-O 2.83Å; F31-V95 HydrophobicContact CE2-CG1 4.09Å; F31-V95 HydrophobicContact CE2-CG2 4.33Å; F31-V95 HydrophobicContact CZ-CB 4.3Å; F31-V95 HydrophobicContact CZ-CG1 4.33Å; F31-V95 HydrophobicContact CZ-CG2 3.94Å; T93-V95 HydrophobicContact CG2-CG2 3.91Å; V95-L97 HydrophobicContact CG1-CD2 3.72Å; V95-L97 HydrophobicContact CG1-CG 4.13Å; V95-V146 CarbonylContact C-O 3.39Å; V95-V146 WeakPolarHBondContact CA-O 3.45Å
96V94.6Very high77.6Confident0 Ų047.3 Ų47.30%026%0.26CS..EExtended strand (participates in β ladder)trans-107.4107.7175.9178.70000107.4C16 M18 C118 I122 L145 V146 T147 E148C16-V96 HydrophobicContact CB-CG2 4.39Å; M18-V96 HydrophobicContact CE-CG1 3.87Å; M18-V96 HydrophobicContact CG-CG1 4.44Å; M18-V96 HydrophobicContact SD-CG1 4.43Å; V96-C118 HydrophobicContact CG1-CB 4.2Å; V96-I122 HydrophobicContact CG2-CD1 3.86Å; V96-L145 HydrophobicContact CG2-CD1 4.04Å; V96-V146 PolarHBondContact N-O 2.89Å; V96-T147 HydrophobicContact CB-CG2 4.17Å; V96-T147 HydrophobicContact CG1-CG2 4.19Å; V96-E148 PolarHBondContact O-N 3.03Å
97L90.9Very high76Confident20 Ų2053.3 Ų53.311%0.10530%0.299CS..EExtended strand (participates in β ladder)trans-91.9128.9179.3-62.8179.6000110.2V15 C16 I17 M18 T26 L28 V95V15-L97 HydrophobicContact CG1-CD1 3.63Å; V15-L97 HydrophobicContact CG1-CG 4.13Å; C16-L97 PolarHBondContact O-N 3.22Å; I17-L97 HydrophobicContact CG1-CD1 4.49Å; M18-L97 WeakPolarHBondContact CG-O 3.21Å; M18-L97 PolarHBondContact N-O 3.47Å; T26-L97 HydrophobicContact CG2-CD1 4.46Å; L28-L97 HydrophobicContact CD2-CD1 4.15Å; V95-L97 HydrophobicContact CG1-CD2 3.72Å; V95-L97 HydrophobicContact CG1-CG 4.13Å
98S82.1Confident74.7Confident11 Ų1154.4 Ų54.48%0.07730%0.304CS..  trans-81.9132.1176.9-162.90000108.4D112 S115 E148S98-D112 PolarHBondContact OG-OD1 2.96Å; S98-S115 WeakPolarHBondContact CA-OG 3.38Å; S98-S115 WeakPolarHBondContact CB-OG 3.31Å; S98-S115 PolarHBondContact OG-OG 3.01Å; S98-E148 PolarHBondContact N-OE2 3Å
99C68.5Low73.5Confident4 Ų461.2 Ų61.23%0.02734%0.34CS..  trans-129.517.5-178.8-75.30000113.4M18 Q20 P21 F101M18-C99 WeakPolarHBondContact O-CB 3.25Å; Q20-C99 HydrophobicContact CB-CB 4.3Å; Q20-C99 HydrophobicContact CG-CB 3.63Å; Q20-C99 PolarHBondContact NE2-SG 3.41Å; P21-C99 WeakPolarHBondContact CD-O 3.5Å; C99-F101 PolarHBondContact O-N 2.86Å
100S63.4Low72.9Confident33 Ų3363.9 Ų63.923%0.23135%0.354CS..  trans-92.896.4177.447.40000109.6I111S100-I111 WeakPolarHBondContact CB-O 3.42Å; S100-I111 WeakPolarHBondContact O-CD1 3.39Å; S100-I111 WeakPolarHBondContact O-CG1 3.22Å; S100-I111 PolarHBondContact OG-O 2.93Å
101F60.2Low72.6Confident107 Ų10758.2 Ų58.247%0.46933%0.334SS..  trans-100.8113.1156.9-67.6-81.4000107.5C99 I103 Y150C99-F101 PolarHBondContact O-N 2.86Å; F101-I103 PolarHBondContact O-N 3.11Å; F101-Y150 HydrophobicContact CD1-CE2 4.39Å; F101-Y150 HydrophobicContact CE1-CD2 4.07Å; F101-Y150 AromaticContact CE1-CE2 3.86Å; F101-Y150 HydrophobicContact CE1-CE2 3.86Å
102D53.3Low72.3Confident84 Ų8458 Ų5845%0.44933%0.332SS..  trans-76.6104.7168.9-152.6-26.7000107.2S104 G105D102-S104 PolarHBondContact O-N 3.41Å; D102-S104 WeakPolarHBondContact OD1-CB 3.22Å; D102-S104 PolarHBondContact OD1-N 3.26Å; D102-S104 PolarHBondContact OD1-OG 3.45Å; D102-S104 PolarHBondContact OD2-OG 2.99Å; D102-G105 PolarHBondContact O-N 2.93Å
103I52.3Low72.1Confident148 Ų14861.9 Ų61.976%0.75935%0.346SS*.THydrogen-bonded Turntrans-56.6-16.1177.4-59170.5000110.6F101 G105F101-I103 PolarHBondContact O-N 3.11Å; I103-G105 PolarHBondContact O-N 3.13Å
104S52.8Low71.9Confident70 Ų7063 Ų6349%0.4935%0.349SS..THydrogen-bonded Turntrans-73.3-1.8-179.769.80000115.7D102 K106D102-S104 PolarHBondContact O-N 3.41Å; D102-S104 WeakPolarHBondContact OD1-CB 3.22Å; D102-S104 PolarHBondContact OD1-N 3.26Å; D102-S104 PolarHBondContact OD1-OG 3.45Å; D102-S104 PolarHBondContact OD2-OG 2.99Å; S104-K106 PolarHBondContact O-N 3.3Å
105G50.9Low71.7Confident72 Ų7263 Ų6374%0.74235%0.35SS*.  trans63.58173.300000114.8D102 I103D102-G105 PolarHBondContact O-N 2.93Å; I103-G105 PolarHBondContact O-N 3.13Å
106K50Low71.5Confident159 Ų15963.1 Ų63.169%0.69135%0.35SS*.  trans-91.7120.7172.7-71-177.6-178.8177.90107.9S104 S108S104-K106 PolarHBondContact O-N 3.3Å; K106-S108 VanDerWaalsContact C-N 3.3Å; K106-S108 PolarHBondContact O-N 3.42Å
107P53.5Low71.4Confident126 Ų12667.9 Ų67.982%0.81838%0.375SS*.  trans-63.398.417026.2-31.1000107.2
108S61.3Low71.5Confident39 Ų3967 Ų6727%0.27337%0.37SS..  trans-83.4126.3172.5105.40000106.6K106 M110 I111K106-S108 VanDerWaalsContact C-N 3.3Å; K106-S108 PolarHBondContact O-N 3.42Å; S108-M110 PolarHBondContact O-N 3.09Å; S108-M110 PolarHBondContact OG-N 3.19Å; S108-I111 WeakPolarHBondContact O-CB 3.46Å; S108-I111 PolarHBondContact O-N 3.39Å; S108-I111 PolarHBondContact OG-N 3.43Å; S108-I111 VanDerWaalsContact OG-N 3.14Å
109L64.3Low72.1Confident143 Ų14366.4 Ų66.475%0.74937%0.366SS*.THydrogen-bonded Turntrans-53.5-11.2167.1-70.5162.1000112.5
110M76Confident73.3Confident123 Ų12369.9 Ų69.961%0.60638%0.384SS*.THydrogen-bonded Turntrans-100.89.2-178.9-58.6-173.272.800113.6S108 D112 K113S108-M110 PolarHBondContact O-N 3.09Å; S108-M110 PolarHBondContact OG-N 3.19Å; M110-D112 PolarHBondContact O-N 2.97Å; M110-K113 HydrophobicContact CB-CD 4.36Å; M110-K113 HydrophobicContact CE-CD 4.15Å; M110-K113 WeakPolarHBondContact O-CB 3.43Å; M110-K113 WeakPolarHBondContact O-CG 3.3Å; M110-K113 PolarHBondContact O-N 3.13Å
111I80.6Confident74.7Confident18 Ų1869.3 Ų69.39%0.09238%0.378CS..THydrogen-bonded Turntrans-58.7-50.8-177.9-164160.7000110.2S100 S108 K113 Y150S100-I111 WeakPolarHBondContact CB-O 3.42Å; S100-I111 WeakPolarHBondContact O-CD1 3.39Å; S100-I111 WeakPolarHBondContact O-CG1 3.22Å; S100-I111 PolarHBondContact OG-O 2.93Å; S108-I111 WeakPolarHBondContact O-CB 3.46Å; S108-I111 PolarHBondContact O-N 3.39Å; S108-I111 PolarHBondContact OG-N 3.43Å; S108-I111 VanDerWaalsContact OG-N 3.14Å; I111-K113 PolarHBondContact O-N 3.12Å; I111-K113 VanDerWaalsContact O-N 3.14Å; I111-Y150 HydrophobicContact CD1-CD1 3.66Å; I111-Y150 HydrophobicContact CD1-CE1 4.09Å; I111-Y150 HydrophobicContact CD1-CG 3.89Å; I111-Y150 HydrophobicContact CG2-CD1 4.16Å
112D86.6Confident76.3Confident1 Ų164.2 Ų64.21%0.00536%0.356CS..THydrogen-bonded Turntrans-83.212.2-176.9-61.1-47.1000114.7S98 M110 E114 S115 I116 L149 Y150 D151 N154S98-D112 PolarHBondContact OG-OD1 2.96Å; M110-D112 PolarHBondContact O-N 2.97Å; D112-E114 VanDerWaalsContact C-N 3.27Å; D112-E114 PolarHBondContact O-N 3.39Å; D112-S115 PolarHBondContact O-N 2.92Å; D112-I116 HydrophobicContact CB-CD1 3.84Å; D112-I116 HydrophobicContact CB-CG1 4.15Å; D112-I116 WeakPolarHBondContact O-CB 3.44Å; D112-I116 WeakPolarHBondContact O-CD1 3.29Å; D112-I116 VanDerWaalsContact O-CG1 3.25Å; D112-I116 WeakPolarHBondContact O-CG1 3.47Å; D112-I116 PolarHBondContact O-N 3.31Å; D112-L149 HydrophobicContact CB-CD2 3.79Å; D112-Y150 WeakPolarHBondContact OD1-CB 3.33Å; D112-Y150 PolarHBondContact OD1-N 3.43Å; D112-Y150 PolarHBondContact OD2-N 2.72Å; D112-D151 PolarHBondContact OD2-N 3.26Å; D112-N154 PolarHBondContact OD2-ND2 2.9Å
113K88.3Confident78.1Confident105 Ų10563.8 Ų63.846%0.45735%0.348SS..Hα-helixtrans-55.7-41.4-171.773.5-173.7-179.1-176.30112.6M110 I111 L117M110-K113 HydrophobicContact CB-CD 4.36Å; M110-K113 HydrophobicContact CE-CD 4.15Å; M110-K113 WeakPolarHBondContact O-CB 3.43Å; M110-K113 WeakPolarHBondContact O-CG 3.3Å; M110-K113 PolarHBondContact O-N 3.13Å; I111-K113 PolarHBondContact O-N 3.12Å; I111-K113 VanDerWaalsContact O-N 3.14Å; K113-L117 VanDerWaalsContact O-CB 3.29Å; K113-L117 WeakPolarHBondContact O-CB 3.39Å; K113-L117 WeakPolarHBondContact O-CD1 3.21Å; K113-L117 WeakPolarHBondContact O-CG 3.36Å; K113-L117 PolarHBondContact O-N 2.89Å
114E89.3Confident80Confident46 Ų4660.6 Ų60.622%0.21533%0.33CS..Hα-helixtrans-73.6-42.9-176.2-63.8-168.7158.300110.9M18 K19 D112 I116 L117 C118M18-E114 HydrophobicContact CB-CB 4.12Å; M18-E114 HydrophobicContact CG-CB 3.99Å; M18-E114 HydrophobicContact SD-CB 4.1Å; K19-E114 VanDerWaalsContact CB-OE2 3.27Å; K19-E114 WeakPolarHBondContact CB-OE2 3.41Å; K19-E114 PolarHBondContact N-OE2 3.08Å; D112-E114 VanDerWaalsContact C-N 3.27Å; D112-E114 PolarHBondContact O-N 3.39Å; E114-I116 PolarHBondContact O-N 2.81Å; E114-L117 PolarHBondContact O-N 3.36Å; E114-C118 VanDerWaalsContact O-CB 3.24Å; E114-C118 WeakPolarHBondContact O-CB 3.37Å; E114-C118 PolarHBondContact O-N 2.89Å
115S91.2Very high81.7Confident1 Ų157.2 Ų57.21%0.00731%0.306CS..Hα-helixtrans-61.5-44.3176.9-52.80000111.4S98 D112 T119S98-S115 WeakPolarHBondContact CA-OG 3.38Å; S98-S115 WeakPolarHBondContact CB-OG 3.31Å; S98-S115 PolarHBondContact OG-OG 3.01Å; D112-S115 PolarHBondContact O-N 2.92Å; S115-T119 VanDerWaalsContact O-CB 3.3Å; S115-T119 WeakPolarHBondContact O-CB 3.33Å; S115-T119 PolarHBondContact O-N 2.93Å; S115-T119 PolarHBondContact O-OG1 3.49Å
116I91.3Very high83.6Confident16 Ų1654.6 Ų54.68%0.08228%0.275CS..Hα-helixtrans-64.9-49.2177-65164.9000110.6D112 E114 C118 T119 L120 L149 N154 L157 L158D112-I116 HydrophobicContact CB-CD1 3.84Å; D112-I116 HydrophobicContact CB-CG1 4.15Å; D112-I116 WeakPolarHBondContact O-CB 3.44Å; D112-I116 WeakPolarHBondContact O-CD1 3.29Å; D112-I116 VanDerWaalsContact O-CG1 3.25Å; D112-I116 WeakPolarHBondContact O-CG1 3.47Å; D112-I116 PolarHBondContact O-N 3.31Å; E114-I116 PolarHBondContact O-N 2.81Å; I116-C118 VanDerWaalsContact C-N 3.33Å; I116-C118 PolarHBondContact O-N 3.43Å; I116-T119 PolarHBondContact O-N 2.82Å; I116-L120 HydrophobicContact CG2-CD1 3.99Å; I116-L120 HydrophobicContact CG2-CG 4.36Å; I116-L120 WeakPolarHBondContact O-CG 3.41Å; I116-L120 PolarHBondContact O-N 2.9Å; I116-L149 HydrophobicContact CG1-CD2 4.02Å; I116-N154 HydrophobicContact CD1-CB 3.87Å; I116-L157 HydrophobicContact CD1-CD1 3.85Å; I116-L157 HydrophobicContact CG2-CB 4.41Å; I116-L158 HydrophobicContact CG2-CD2 4.02Å
117L92.5Very high85.3Confident100 Ų10048.9 Ų48.952%0.52426%0.258SS..Hα-helixtrans-60.8-43.1179.1-74.6172000111.7L78 K113 E114 L120 N121L78-L117 HydrophobicContact CD2-CB 4.05Å; K113-L117 VanDerWaalsContact O-CB 3.29Å; K113-L117 WeakPolarHBondContact O-CB 3.39Å; K113-L117 WeakPolarHBondContact O-CD1 3.21Å; K113-L117 WeakPolarHBondContact O-CG 3.36Å; K113-L117 PolarHBondContact O-N 2.89Å; E114-L117 PolarHBondContact O-N 3.36Å; L117-L120 PolarHBondContact O-N 2.91Å; L117-N121 WeakPolarHBondContact O-CB 3.37Å; L117-N121 PolarHBondContact O-N 2.79Å
118C93.8Very high86.9Confident0 Ų045.2 Ų45.20%023%0.231CC..Hα-helixtrans-61.1-47.3176.1-174.30000111.1M18 L78 V96 E114 I116 L120 N121 I122M18-C118 HydrophobicContact CE-CB 4Å; M18-C118 HydrophobicContact SD-CB 3.75Å; L78-C118 HydrophobicContact CD2-CB 3.93Å; V96-C118 HydrophobicContact CG1-CB 4.2Å; E114-C118 VanDerWaalsContact O-CB 3.24Å; E114-C118 WeakPolarHBondContact O-CB 3.37Å; E114-C118 PolarHBondContact O-N 2.89Å; I116-C118 VanDerWaalsContact C-N 3.33Å; I116-C118 PolarHBondContact O-N 3.43Å; C118-L120 PolarHBondContact O-N 2.82Å; C118-N121 WeakPolarHBondContact O-CB 3.39Å; C118-N121 PolarHBondContact O-N 2.78Å; C118-N121 VanDerWaalsContact O-N 3.14Å; C118-I122 WeakPolarHBondContact O-CG1 3.39Å; C118-I122 PolarHBondContact O-N 2.91Å
119T93.8Very high87.9Confident0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-59.9-46.8178.4-57.80000111.8S115 I116 N121 I122 R123 L145 T147 L158S115-T119 VanDerWaalsContact O-CB 3.3Å; S115-T119 WeakPolarHBondContact O-CB 3.33Å; S115-T119 PolarHBondContact O-N 2.93Å; S115-T119 PolarHBondContact O-OG1 3.49Å; I116-T119 PolarHBondContact O-N 2.82Å; T119-N121 VanDerWaalsContact C-N 3.3Å; T119-N121 PolarHBondContact O-N 2.88Å; T119-I122 PolarHBondContact O-N 3.31Å; T119-R123 WeakPolarHBondContact O-CG 3.36Å; T119-R123 PolarHBondContact O-N 3.35Å; T119-L145 HydrophobicContact CG2-CD2 3.72Å; T119-L145 HydrophobicContact CG2-CG 4.33Å; T119-T147 VanDerWaalsContact CG2-OG1 3.3Å; T119-T147 WeakPolarHBondContact CG2-OG1 3.47Å; T119-T147 WeakPolarHBondContact OG1-CG2 3.5Å; T119-T147 PolarHBondContact OG1-OG1 3.39Å; T119-L158 HydrophobicContact CG2-CD1 4.17Å; T119-L158 HydrophobicContact CG2-CD2 3.76Å
120L93.2Very high88.4Confident76 Ų7639.5 Ų39.540%0.39820%0.198SC..Hα-helixtrans-62.8-38.7175.9-69.6176.2000111.6I116 L117 C118 R123 Q124 L158I116-L120 HydrophobicContact CG2-CD1 3.99Å; I116-L120 HydrophobicContact CG2-CG 4.36Å; I116-L120 WeakPolarHBondContact O-CG 3.41Å; I116-L120 PolarHBondContact O-N 2.9Å; L117-L120 PolarHBondContact O-N 2.91Å; C118-L120 PolarHBondContact O-N 2.82Å; L120-R123 PolarHBondContact O-N 2.96Å; L120-Q124 WeakPolarHBondContact O-CB 3.46Å; L120-Q124 PolarHBondContact O-N 3.45Å; L120-L158 HydrophobicContact CD2-CD2 4.08Å; L120-L158 HydrophobicContact CG-CD2 4.15Å
121N93.6Very high88.4Confident21 Ų2140.3 Ų40.311%0.11220%0.197CC..Hα-helixtrans-65.1-44.1178.1-16421.3000112.1L78 R80 L117 C118 T119 Q124 L125L78-N121 PolarHBondContact O-ND2 3.33Å; R80-N121 VanDerWaalsContact CG-OD1 3.29Å; R80-N121 WeakPolarHBondContact CG-OD1 3.47Å; R80-N121 PolarHBondContact NE-OD1 2.97Å; R80-N121 PolarHBondContact NH2-OD1 2.82Å; L117-N121 WeakPolarHBondContact O-CB 3.37Å; L117-N121 PolarHBondContact O-N 2.79Å; C118-N121 WeakPolarHBondContact O-CB 3.39Å; C118-N121 PolarHBondContact O-N 2.78Å; C118-N121 VanDerWaalsContact O-N 3.14Å; T119-N121 VanDerWaalsContact C-N 3.3Å; T119-N121 PolarHBondContact O-N 2.88Å; N121-Q124 PolarHBondContact O-N 2.96Å; N121-L125 WeakPolarHBondContact O-CG 3.42Å; N121-L125 PolarHBondContact O-N 2.89Å
122I93.4Very high87.8Confident0 Ų044.4 Ų44.40%022%0.223CC..Hα-helixtrans-62.4-48.2175.2-68.2161000110.2L83 V88 V96 C118 T119 Q124 L125 L126 L145L83-I122 HydrophobicContact CD1-CG1 3.81Å; L83-I122 HydrophobicContact CD2-CD1 4.35Å; L83-I122 HydrophobicContact CD2-CG1 4.1Å; V88-I122 HydrophobicContact CG2-CG1 4.42Å; V88-I122 HydrophobicContact CG2-CG2 3.78Å; V96-I122 HydrophobicContact CG2-CD1 3.86Å; C118-I122 WeakPolarHBondContact O-CG1 3.39Å; C118-I122 PolarHBondContact O-N 2.91Å; T119-I122 PolarHBondContact O-N 3.31Å; I122-Q124 VanDerWaalsContact C-N 3.27Å; I122-Q124 PolarHBondContact O-N 3.4Å; I122-L125 PolarHBondContact O-N 3.3Å; I122-L125 VanDerWaalsContact O-N 3.14Å; I122-L126 HydrophobicContact CG2-CD1 3.89Å; I122-L126 HydrophobicContact CG2-CG 4.31Å; I122-L126 WeakPolarHBondContact O-CG 3.44Å; I122-L126 PolarHBondContact O-N 2.7Å; I122-L145 HydrophobicContact CB-CD2 4.4Å; I122-L145 HydrophobicContact CD1-CD1 4.13Å; I122-L145 HydrophobicContact CG2-CD1 4.23Å; I122-L145 HydrophobicContact CG2-CD2 4.07Å
123R91.9Very high86.5Confident75 Ų7546.5 Ų46.528%0.28324%0.235SC..Hα-helixtrans-57.2-41.1177-75.2177.6174.7-179.2-1.2112.3T119 L120 A127 L145 L158T119-R123 WeakPolarHBondContact O-CG 3.36Å; T119-R123 PolarHBondContact O-N 3.35Å; L120-R123 PolarHBondContact O-N 2.96Å; R123-A127 WeakPolarHBondContact O-CB 3.3Å; R123-A127 PolarHBondContact O-N 2.9Å; R123-L145 HydrophobicContact CG-CD2 3.8Å; R123-L158 PolarHBondContact NH1-O 2.95Å
124Q90.9Very high84.9Confident81 Ų8148.9 Ų48.938%0.37925%0.247SC..Hα-helixtrans-65.7-44.5176.4-17561.239.100111.9L120 N121 I122 L126 A127 D128L120-Q124 WeakPolarHBondContact O-CB 3.46Å; L120-Q124 PolarHBondContact O-N 3.45Å; N121-Q124 PolarHBondContact O-N 2.96Å; I122-Q124 VanDerWaalsContact C-N 3.27Å; I122-Q124 PolarHBondContact O-N 3.4Å; Q124-L126 VanDerWaalsContact C-N 3.33Å; Q124-L126 PolarHBondContact O-N 3.34Å; Q124-A127 PolarHBondContact O-N 2.8Å; Q124-D128 PolarHBondContact NE2-OD1 3.07Å; Q124-D128 VanDerWaalsContact O-CG 3.23Å; Q124-D128 PolarHBondContact O-N 3.42Å
125L90.4Very high83.2Confident0 Ų054.3 Ų54.30%028%0.277CS..Hα-helixtrans-58.5-46.4176.6-76.9172.7000111.4R80 L83 R84 V88 N121 I122 D128 T129R80-L125 HydrophobicContact CB-CD1 4.31Å; R80-L125 HydrophobicContact CB-CD2 4.28Å; R80-L125 HydrophobicContact CG-CD1 4.15Å; R80-L125 HydrophobicContact CG-CD2 4.17Å; R80-L125 HydrophobicContact CG-CG 4.33Å; L83-L125 HydrophobicContact CB-CD1 3.86Å; L83-L125 HydrophobicContact CD1-CD1 3.72Å; L83-L125 HydrophobicContact CG-CD1 4.47Å; R84-L125 HydrophobicContact CG-CD2 4.45Å; V88-L125 HydrophobicContact CG1-CD1 4.35Å; N121-L125 WeakPolarHBondContact O-CG 3.42Å; N121-L125 PolarHBondContact O-N 2.89Å; I122-L125 PolarHBondContact O-N 3.3Å; I122-L125 VanDerWaalsContact O-N 3.14Å; L125-D128 PolarHBondContact O-N 3.42Å; L125-T129 PolarHBondContact O-N 3.11Å; L125-T129 VanDerWaalsContact O-N 3.14Å; L125-T129 PolarHBondContact O-OG1 3.19Å
126L89.7Confident81.2Confident16 Ų1659.7 Ų59.78%0.08431%0.305CS..Hα-helixtrans-61.2-46.7176.6-64.5172000110.8I122 Q124 D128 T129 H130 P143I122-L126 HydrophobicContact CG2-CD1 3.89Å; I122-L126 HydrophobicContact CG2-CG 4.31Å; I122-L126 WeakPolarHBondContact O-CG 3.44Å; I122-L126 PolarHBondContact O-N 2.7Å; Q124-L126 VanDerWaalsContact C-N 3.33Å; Q124-L126 PolarHBondContact O-N 3.34Å; L126-D128 VanDerWaalsContact C-N 3.27Å; L126-D128 PolarHBondContact O-N 3.4Å; L126-T129 PolarHBondContact O-N 2.79Å; L126-H130 PolarHBondContact O-CD2 2.8Å; L126-H130 PolarHBondContact O-N 3.19Å; L126-H130 VanDerWaalsContact O-N 3.09Å; L126-P143 HydrophobicContact CD1-CG 3.58Å; L126-P143 HydrophobicContact CD2-CG 3.66Å; L126-P143 HydrophobicContact CG-CG 4.28Å
127A86.8Confident78.7Confident40 Ų4065.5 Ų65.533%0.33134%0.342SS..Hα-helixtrans-60.2-35.7178.100000113.1R123 Q124 K131R123-A127 WeakPolarHBondContact O-CB 3.3Å; R123-A127 PolarHBondContact O-N 2.9Å; Q124-A127 PolarHBondContact O-N 2.8Å; A127-K131 WeakPolarHBondContact O-CG 3.4Å; A127-K131 PolarHBondContact O-N 3.43Å
128D86.3Confident76.4Confident48 Ų4865.7 Ų65.726%0.25735%0.348SS..Hα-helixtrans-67.8-40.7176.7-68.1-20.9000111.5Q124 L125 L126 H130 K131 T132Q124-D128 PolarHBondContact NE2-OD1 3.07Å; Q124-D128 VanDerWaalsContact O-CG 3.23Å; Q124-D128 PolarHBondContact O-N 3.42Å; L125-D128 PolarHBondContact O-N 3.42Å; L126-D128 VanDerWaalsContact C-N 3.27Å; L126-D128 PolarHBondContact O-N 3.4Å; D128-H130 VanDerWaalsContact C-N 3.34Å; D128-H130 PolarHBondContact O-N 2.99Å; D128-K131 PolarHBondContact O-N 3.07Å; D128-T132 PolarHBondContact O-N 3.22Å
129T82.6Confident74.3Confident17 Ų1774.9 Ų74.910%0.10439%0.39CS..Hα-helixtrans-64.4-36.6176.1-57.10000112.7E89 L125 L126 T132 N133E89-T129 HydrophobicContact CB-CG2 4.39Å; E89-T129 HydrophobicContact CG-CG2 4.31Å; E89-T129 WeakPolarHBondContact CG-OG1 3.49Å; E89-T129 PolarHBondContact OE1-OG1 3.23Å; E89-T129 WeakPolarHBondContact OE2-CG2 3.22Å; E89-T129 PolarHBondContact OE2-OG1 3.17Å; L125-T129 PolarHBondContact O-N 3.11Å; L125-T129 VanDerWaalsContact O-N 3.14Å; L125-T129 PolarHBondContact O-OG1 3.19Å; L126-T129 PolarHBondContact O-N 2.79Å; T129-T132 PolarHBondContact O-N 3.01Å; T129-T132 PolarHBondContact O-OG1 3.33Å; T129-N133 WeakPolarHBondContact O-CB 3.41Å; T129-N133 VanDerWaalsContact O-CG 3.32Å; T129-N133 PolarHBondContact O-N 2.84Å; T129-N133 VanDerWaalsContact O-N 3.16Å; T129-N133 PolarHBondContact O-ND2 3.06Å
130H74.8Confident72.4Confident46 Ų4678.9 Ų78.921%0.21341%0.409CS..Hα-helixtrans-64.2-40.2175.5-81.3-71.6000112.4L126 D128 T132 N133 H134 H142L126-H130 PolarHBondContact O-CD2 2.8Å; L126-H130 PolarHBondContact O-N 3.19Å; L126-H130 VanDerWaalsContact O-N 3.09Å; D128-H130 VanDerWaalsContact C-N 3.34Å; D128-H130 PolarHBondContact O-N 2.99Å; H130-T132 VanDerWaalsContact C-N 3.31Å; H130-T132 PolarHBondContact O-N 3.27Å; H130-N133 PolarHBondContact O-N 3.3Å; H130-H134 PolarHBondContact O-N 2.82Å; H130-H142 AromaticContact CD2-CE1 3.25Å; H130-H142 PolarHBondContact CD2-CE1 2.92Å; H130-H142 AromaticContact CD2-ND1 3.77Å; H130-H142 AromaticContact CE1-CE1 3.29Å; H130-H142 PolarHBondContact CE1-CE1 2.84Å; H130-H142 AromaticContact CE1-ND1 3.85Å; H130-H142 AromaticContact CE1-NE2 3.41Å; H130-H142 PolarHBondContact CE1-NE2 3.42Å; H130-H142 AromaticContact CG-CE1 3.94Å; H130-H142 AromaticContact ND1-CE1 3.96Å; H130-H142 AromaticContact NE2-CE1 2.83Å; H130-H142 PolarHBondContact NE2-CE1 3.26Å; H130-H142 AromaticContact NE2-CG 3.91Å; H130-H142 AromaticContact NE2-ND1 3.12Å; H130-H142 PolarHBondContact NE2-ND1 3.39Å; H130-H142 VanDerWaalsContact NE2-ND1 3.12Å; H130-H142 AromaticContact NE2-NE2 3.46Å; H130-H142 PolarHBondContact NE2-NE2 3.02Å
131K75.5Confident70.8Confident139 Ų13982.5 Ų82.560%0.60443%0.429SS*.Hα-helixtrans-62.7-38.2177.5-71.3174.2-175.71720112.5A127 D128 N133A127-K131 WeakPolarHBondContact O-CG 3.4Å; A127-K131 PolarHBondContact O-N 3.43Å; D128-K131 PolarHBondContact O-N 3.07Å; K131-N133 VanDerWaalsContact C-N 3.34Å
132T68.4Low70.1Confident104 Ų10487.5 Ų87.564%0.63845%0.451SS*.Hα-helixtrans-73.1-27.7178.851.70000112.8D128 T129 H130D128-T132 PolarHBondContact O-N 3.22Å; T129-T132 PolarHBondContact O-N 3.01Å; T129-T132 PolarHBondContact O-OG1 3.33Å; H130-T132 VanDerWaalsContact C-N 3.31Å; H130-T132 PolarHBondContact O-N 3.27Å
133N58.7Low69.7Low46 Ų4688.1 Ų88.125%0.24646%0.455CS..THydrogen-bonded Turntrans-91.53.3-175.4-69.9-16.5000114.4T129 H130 K131 L135 N136 Q140T129-N133 WeakPolarHBondContact O-CB 3.41Å; T129-N133 VanDerWaalsContact O-CG 3.32Å; T129-N133 PolarHBondContact O-N 2.84Å; T129-N133 VanDerWaalsContact O-N 3.16Å; T129-N133 PolarHBondContact O-ND2 3.06Å; H130-N133 PolarHBondContact O-N 3.3Å; K131-N133 VanDerWaalsContact C-N 3.34Å; N133-L135 PolarHBondContact O-N 2.81Å; N133-N136 PolarHBondContact O-N 2.81Å; N133-Q140 PolarHBondContact ND2-NE2 2.9Å; N133-Q140 VanDerWaalsContact ND2-NE2 3.15Å; N133-Q140 PolarHBondContact ND2-OE1 3.09Å; N133-Q140 VanDerWaalsContact ND2-OE1 3.12Å
134H55.5Low69.7Low155 Ų15589.3 Ų89.372%0.71847%0.465SS*.THydrogen-bonded Turntrans-59.6-3.2179.3-90.5-53.9000116H130H130-H134 PolarHBondContact O-N 2.82Å
135L53.5Low69.9Low159 Ų15986 Ų8683%0.83245%0.45SS*.THydrogen-bonded Turntrans-85.8-14.4167.9-78.9117000114.2N133N133-L135 PolarHBondContact O-N 2.81Å
136N48.8Very low70.1Confident114 Ų11487.4 Ų87.461%0.6146%0.458SS*.  trans-11794.2-178.8-66.3-14.2000110N133 T138N133-N136 PolarHBondContact O-N 2.81Å; N136-T138 PolarHBondContact O-N 3.23Å
137T39Very low70.2Confident139 Ų13986.7 Ų86.785%0.85346%0.455SS*.  trans-73.356.7-179.848.40000113.3
138T43.3Very low70.5Confident104 Ų10486.7 Ų86.764%0.63845%0.448SS*.SBendtrans-134.1108.8173.956.70000109.5N136 Q140N136-T138 PolarHBondContact O-N 3.23Å; T138-Q140 PolarHBondContact O-N 3.05Å
139E50Low70.6Confident192 Ų19284.4 Ų84.490%0.89744%0.436SS*.  trans0.781.3162.8-58.5-172.8164.700115.2N141E139-N141 PolarHBondContact O-N 3.21Å
140Q53.7Low70.6Confident85 Ų8587.7 Ų87.740%0.39745%0.447SS..  trans-79105.1168.9-71.2-150.4-8.800108.3N133 T138 H142N133-Q140 PolarHBondContact ND2-NE2 2.9Å; N133-Q140 VanDerWaalsContact ND2-NE2 3.15Å; N133-Q140 PolarHBondContact ND2-OE1 3.09Å; N133-Q140 VanDerWaalsContact ND2-OE1 3.12Å; T138-Q140 PolarHBondContact O-N 3.05Å; Q140-H142 PolarHBondContact O-N 3.3Å
141N61Low71Confident151 Ų15187.6 Ų87.681%0.80745%0.448SS*.  trans-50.9109.3170.2-86.9-18.1000109.4E139E139-N141 PolarHBondContact O-N 3.21Å
142H77.4Confident71.2Confident127 Ų12781.7 Ų81.759%0.58842%0.424SS*.PPolyproline II helixtrans-66.3132.4171.8-74.7-93.1000108.9H130 Q140 M144H130-H142 AromaticContact CD2-CE1 3.25Å; H130-H142 PolarHBondContact CD2-CE1 2.92Å; H130-H142 AromaticContact CD2-ND1 3.77Å; H130-H142 AromaticContact CE1-CE1 3.29Å; H130-H142 PolarHBondContact CE1-CE1 2.84Å; H130-H142 AromaticContact CE1-ND1 3.85Å; H130-H142 AromaticContact CE1-NE2 3.41Å; H130-H142 PolarHBondContact CE1-NE2 3.42Å; H130-H142 AromaticContact CG-CE1 3.94Å; H130-H142 AromaticContact ND1-CE1 3.96Å; H130-H142 AromaticContact NE2-CE1 2.83Å; H130-H142 PolarHBondContact NE2-CE1 3.26Å; H130-H142 AromaticContact NE2-CG 3.91Å; H130-H142 AromaticContact NE2-ND1 3.12Å; H130-H142 PolarHBondContact NE2-ND1 3.39Å; H130-H142 VanDerWaalsContact NE2-ND1 3.12Å; H130-H142 AromaticContact NE2-NE2 3.46Å; H130-H142 PolarHBondContact NE2-NE2 3.02Å; Q140-H142 PolarHBondContact O-N 3.3Å; H142-M144 PolarHBondContact O-N 3.19Å
143P85.9Confident71.9Confident13 Ų1379.9 Ų79.98%0.08441%0.412CS..PPolyproline II helixtrans-61.1138.7175.224.5-32.8000110.1C91 S92 L126 L145C91-P143 WeakPolarHBondContact O-CB 3.5Å; C91-P143 VanDerWaalsContact SG-CB 3.53Å; S92-P143 WeakPolarHBondContact O-CA 3.31Å; L126-P143 HydrophobicContact CD1-CG 3.58Å; L126-P143 HydrophobicContact CD2-CG 3.66Å; L126-P143 HydrophobicContact CG-CG 4.28Å; P143-L145 PolarHBondContact O-N 2.93Å
144M91.8Very high73Confident99 Ų9978.2 Ų78.249%0.48840%0.403SS..EExtended strand (participates in β ladder)trans-67.2117.4169.8-175.4177.373.300108.5S92 T93 C94 H142 V146S92-M144 PolarHBondContact O-N 3.04Å; T93-M144 CarbonylContact C-O 3.55Å; T93-M144 VanDerWaalsContact CA-O 3.31Å; T93-M144 WeakPolarHBondContact CA-O 3.48Å; T93-M144 HydrophobicContact CG2-CB 4.43Å; T93-M144 HydrophobicContact CG2-CE 3.58Å; C94-M144 PolarHBondContact N-O 2.96Å; H142-M144 PolarHBondContact O-N 3.19Å; M144-V146 HydrophobicContact CE-CG2 3.98Å; M144-V146 HydrophobicContact CG-CG2 4.11Å; M144-V146 HydrophobicContact SD-CG2 4.41Å
145L94.1Very high74.4Confident13 Ų1370.8 Ų70.87%0.06837%0.369CS..EExtended strand (participates in β ladder)trans-105.1111.9-179.8178.460.3000109.4C94 V96 T119 I122 R123 P143 N177C94-L145 HydrophobicContact CB-CD1 3.95Å; C94-L145 WeakPolarHBondContact O-CA 3.21Å; V96-L145 HydrophobicContact CG2-CD1 4.04Å; T119-L145 HydrophobicContact CG2-CD2 3.72Å; T119-L145 HydrophobicContact CG2-CG 4.33Å; I122-L145 HydrophobicContact CB-CD2 4.4Å; I122-L145 HydrophobicContact CD1-CD1 4.13Å; I122-L145 HydrophobicContact CG2-CD1 4.23Å; I122-L145 HydrophobicContact CG2-CD2 4.07Å; R123-L145 HydrophobicContact CG-CD2 3.8Å; P143-L145 PolarHBondContact O-N 2.93Å; L145-N177 WeakPolarHBondContact O-CA 3.21Å; L145-N177 WeakPolarHBondContact O-CB 3.3Å; L145-N177 PolarHBondContact O-OD1 3.36Å
146V94.6Very high75.7Confident28 Ų2866.4 Ų66.417%0.1735%0.351CS..EExtended strand (participates in β ladder)trans-110.3124.1178.3-174.40000109C94 V95 V96 M144 N177C94-V146 PolarHBondContact O-N 2.83Å; V95-V146 CarbonylContact C-O 3.39Å; V95-V146 WeakPolarHBondContact CA-O 3.45Å; V96-V146 PolarHBondContact N-O 2.89Å; M144-V146 HydrophobicContact CE-CG2 3.98Å; M144-V146 HydrophobicContact CG-CG2 4.11Å; M144-V146 HydrophobicContact SD-CG2 4.41Å; V146-N177 CarbonylContact C-O 3.59Å; V146-N177 WeakPolarHBondContact CA-O 3.36Å
147T93.6Very high77.3Confident1 Ų165.9 Ų65.91%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-116.9124.2179.7-55.10000109.8V96 T119 L149 N177 I178 F179V96-T147 HydrophobicContact CB-CG2 4.17Å; V96-T147 HydrophobicContact CG1-CG2 4.19Å; T119-T147 VanDerWaalsContact CG2-OG1 3.3Å; T119-T147 WeakPolarHBondContact CG2-OG1 3.47Å; T119-T147 WeakPolarHBondContact OG1-CG2 3.5Å; T119-T147 PolarHBondContact OG1-OG1 3.39Å; T147-L149 HydrophobicContact CG2-CD2 3.98Å; T147-L149 HydrophobicContact CG2-CG 4.39Å; T147-N177 PolarHBondContact N-O 2.75Å; T147-I178 WeakPolarHBondContact O-CA 3.22Å; T147-F179 PolarHBondContact O-N 3.34Å
148E91.4Very high79.5Confident41 Ų4159.7 Ų59.719%0.19231%0.31CS..EExtended strand (participates in β ladder)trans-76131167.1-174.6-177.3-166.800110V96 S98 F179 S181V96-E148 PolarHBondContact O-N 3.03Å; S98-E148 PolarHBondContact N-OE2 3Å; E148-F179 CarbonylContact C-O 3.38Å; E148-F179 VanDerWaalsContact CA-O 3.29Å; E148-F179 WeakPolarHBondContact CA-O 3.18Å; E148-S181 PolarHBondContact OE1-OG 3.42Å
149L88.7Confident80.9Confident0 Ų055.5 Ų55.50%029%0.285CS..EExtended strand (participates in β ladder)trans-123.9141.4171.5-61.9-179.4000109.5D112 I116 T147 A155 L158 I178 F179 E180 S181D112-L149 HydrophobicContact CB-CD2 3.79Å; I116-L149 HydrophobicContact CG1-CD2 4.02Å; T147-L149 HydrophobicContact CG2-CD2 3.98Å; T147-L149 HydrophobicContact CG2-CG 4.39Å; L149-A155 HydrophobicContact CD1-CB 4.08Å; L149-L158 HydrophobicContact CD1-CD1 4.34Å; L149-I178 HydrophobicContact CB-CG2 4.44Å; L149-I178 HydrophobicContact CD1-CD1 4.18Å; L149-I178 HydrophobicContact CD1-CG2 3.67Å; L149-I178 HydrophobicContact CG-CG2 4.03Å; L149-F179 PolarHBondContact N-O 3.18Å; L149-E180 VanDerWaalsContact O-CA 3.29Å; L149-E180 WeakPolarHBondContact O-CA 3.34Å; L149-S181 PolarHBondContact O-N 2.96Å
150Y84.1Confident81.6Confident86 Ų8652.5 Ų52.534%0.33728%0.28SS..SBendtrans-81-40.5172-175-94000111.5F101 I111 D112 N182F101-Y150 HydrophobicContact CD1-CE2 4.39Å; F101-Y150 HydrophobicContact CE1-CD2 4.07Å; F101-Y150 AromaticContact CE1-CE2 3.86Å; F101-Y150 HydrophobicContact CE1-CE2 3.86Å; I111-Y150 HydrophobicContact CD1-CD1 3.66Å; I111-Y150 HydrophobicContact CD1-CE1 4.09Å; I111-Y150 HydrophobicContact CD1-CG 3.89Å; I111-Y150 HydrophobicContact CG2-CD1 4.16Å; D112-Y150 WeakPolarHBondContact OD1-CB 3.33Å; D112-Y150 PolarHBondContact OD1-N 3.43Å; D112-Y150 PolarHBondContact OD2-N 2.72Å; Y150-N182 PolarHBondContact O-ND2 2.94Å
151D81.8Confident81.8Confident44 Ų4457.5 Ų57.524%0.23530%0.3CS..  trans-110.7113.5178-176.9-11.4000110.4D112 T153 N154D112-D151 PolarHBondContact OD2-N 3.26Å; D151-T153 PolarHBondContact O-N 3.05Å; D151-T153 VanDerWaalsContact O-N 3.12Å; D151-T153 WeakPolarHBondContact OD1-CB 3.36Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.24Å; D151-T153 PolarHBondContact OD1-N 2.91Å; D151-T153 PolarHBondContact OD1-OG1 3.28Å; D151-T153 PolarHBondContact OD2-OG1 2.77Å; D151-N154 WeakPolarHBondContact O-CB 3.46Å; D151-N154 PolarHBondContact O-N 2.85Å; D151-N154 VanDerWaalsContact O-N 3.09Å
152V81Confident81.6Confident15 Ų1552 Ų529%0.09127%0.273CS..G310 helixtrans-56.8-28.3179.566.50000112.6N154 A155 T167 I173 E180V152-N154 PolarHBondContact O-N 3.48Å; V152-A155 WeakPolarHBondContact O-CB 3.47Å; V152-A155 PolarHBondContact O-N 3.43Å; V152-T167 HydrophobicContact CB-CG2 3.95Å; V152-T167 HydrophobicContact CG1-CG2 3.74Å; V152-T167 HydrophobicContact CG2-CG2 3.52Å; V152-T167 WeakPolarHBondContact O-CG2 3.39Å; V152-I173 HydrophobicContact CG2-CD1 3.47Å; V152-I173 VanDerWaalsContact CG2-CD1 3.47Å; V152-E180 HydrophobicContact CB-CB 4.4Å; V152-E180 HydrophobicContact CB-CG 3.87Å
153T81.3Confident80.5Confident66 Ų6654.1 Ų54.141%0.40528%0.281SS..G310 helixtrans-63-27.9-179.566.90000112.4D151 A155 S156D151-T153 PolarHBondContact O-N 3.05Å; D151-T153 VanDerWaalsContact O-N 3.12Å; D151-T153 WeakPolarHBondContact OD1-CB 3.36Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.24Å; D151-T153 PolarHBondContact OD1-N 2.91Å; D151-T153 PolarHBondContact OD1-OG1 3.28Å; D151-T153 PolarHBondContact OD2-OG1 2.77Å; T153-A155 PolarHBondContact O-N 3.5Å; T153-S156 PolarHBondContact O-N 3.13Å; T153-S156 PolarHBondContact O-OG 3.38Å
154N83.5Confident78.8Confident10 Ų1064.1 Ų64.15%0.05332%0.318CS..G310 helixtrans-68.8-15.6175.4-69-30.8000113.2D112 I116 D151 V152 S156 L157D112-N154 PolarHBondContact OD2-ND2 2.9Å; I116-N154 HydrophobicContact CD1-CB 3.87Å; D151-N154 WeakPolarHBondContact O-CB 3.46Å; D151-N154 PolarHBondContact O-N 2.85Å; D151-N154 VanDerWaalsContact O-N 3.09Å; V152-N154 PolarHBondContact O-N 3.48Å; N154-S156 PolarHBondContact O-N 3.15Å; N154-S156 VanDerWaalsContact O-N 3.11Å; N154-L157 HydrophobicContact CB-CD1 4.41Å; N154-L157 VanDerWaalsContact O-CB 3.29Å; N154-L157 WeakPolarHBondContact O-CB 3.47Å; N154-L157 PolarHBondContact O-N 2.77Å
155A83.3Confident77Confident0 Ų062 Ų620%032%0.323CS..G310 helixtrans-59-25174.800000112.6L149 V152 T153 L157 L158 S159 N170 I173 I178L149-A155 HydrophobicContact CD1-CB 4.08Å; V152-A155 WeakPolarHBondContact O-CB 3.47Å; V152-A155 PolarHBondContact O-N 3.43Å; T153-A155 PolarHBondContact O-N 3.5Å; A155-L157 PolarHBondContact O-N 3.31Å; A155-L158 PolarHBondContact O-N 2.81Å; A155-S159 PolarHBondContact O-N 3.13Å; A155-N170 VanDerWaalsContact C-ND2 3.32Å; A155-N170 VanDerWaalsContact CB-ND2 3.34Å; A155-N170 WeakPolarHBondContact CB-ND2 3.34Å; A155-N170 PolarHBondContact O-ND2 2.67Å; A155-N170 VanDerWaalsContact O-ND2 3.16Å; A155-I173 HydrophobicContact CB-CD1 4.33Å; A155-I178 HydrophobicContact CB-CD1 3.6Å
156S81Confident75.3Confident66 Ų6666 Ų6646%0.46235%0.348SS..G310 helixtrans-63.4-27.5173.963.90000113T153 N154 L158 S159T153-S156 PolarHBondContact O-N 3.13Å; T153-S156 PolarHBondContact O-OG 3.38Å; N154-S156 PolarHBondContact O-N 3.15Å; N154-S156 VanDerWaalsContact O-N 3.11Å; S156-L158 PolarHBondContact O-N 3.02Å; S156-S159 PolarHBondContact O-N 3.2Å
157L83.4Confident73.7Confident104 Ų10467 Ų6755%0.54535%0.354SS..G310 helixtrans-72.5-20.7177.9-59.8172.8000112.4I116 N154 A155I116-L157 HydrophobicContact CD1-CD1 3.85Å; I116-L157 HydrophobicContact CG2-CB 4.41Å; N154-L157 HydrophobicContact CB-CD1 4.41Å; N154-L157 VanDerWaalsContact O-CB 3.29Å; N154-L157 WeakPolarHBondContact O-CB 3.47Å; N154-L157 PolarHBondContact O-N 2.77Å; A155-L157 PolarHBondContact O-N 3.31Å
158L83.9Confident72.4Confident9 Ų973.8 Ų73.85%0.04738%0.38CS..THydrogen-bonded Turntrans-93.2-21.1176.2-64.1177.4000112.7I116 T119 L120 R123 L149 A155 S156 L172 I178I116-L158 HydrophobicContact CG2-CD2 4.02Å; T119-L158 HydrophobicContact CG2-CD1 4.17Å; T119-L158 HydrophobicContact CG2-CD2 3.76Å; L120-L158 HydrophobicContact CD2-CD2 4.08Å; L120-L158 HydrophobicContact CG-CD2 4.15Å; R123-L158 PolarHBondContact NH1-O 2.95Å; L149-L158 HydrophobicContact CD1-CD1 4.34Å; A155-L158 PolarHBondContact O-N 2.81Å; S156-L158 PolarHBondContact O-N 3.02Å; L158-L172 HydrophobicContact CB-CD1 3.58Å; L158-I178 HydrophobicContact CB-CD1 4.42Å; L158-I178 HydrophobicContact CD1-CD1 3.82Å; L158-I178 HydrophobicContact CD1-CG1 4.18Å
159S74.4Confident71.4Confident15 Ų1579.8 Ų79.811%0.10541%0.406CS..  trans-111.6110.5-177.7177.40000110.8A155 S156 K161 S162A155-S159 PolarHBondContact O-N 3.13Å; S156-S159 PolarHBondContact O-N 3.2Å; S159-K161 PolarHBondContact O-N 3.4Å; S159-K161 PolarHBondContact OG-N 3.24Å; S159-S162 PolarHBondContact OG-OG 3.26Å; S159-S162 VanDerWaalsContact OG-OG 3.13Å
160T63.3Low70.9Confident129 Ų12980.2 Ų80.279%0.79141%0.408SS*.SBendtrans-74.5-9.4174.855.70000113.3
161K59.1Low70.7Confident191 Ų19179.3 Ų79.383%0.8341%0.413SS*.SBendtrans-104.9-15-165.8-66.9-171.8178.1-176.90115.4S159S159-K161 PolarHBondContact O-N 3.4Å; S159-K161 PolarHBondContact OG-N 3.24Å
162S55.6Low70.9Confident34 Ų3478.3 Ų78.324%0.23841%0.408CS..  trans-115.475-176.559.80000111.3S159 Y164S159-S162 PolarHBondContact OG-OG 3.26Å; S159-S162 VanDerWaalsContact OG-OG 3.13Å; S162-Y164 VanDerWaalsContact C-N 3.27Å
163K54.6Low71.1Confident172 Ų17279.5 Ų79.575%0.74841%0.413SS*.SBendtrans-76.9-13.3174.9-71.7-174.1178.3-178.50113.6
164Y51.1Low71.2Confident223 Ų22380.4 Ų80.488%0.87543%0.427SS*.SBendtrans-14089.5-174-56.9-75.9000109.4S162S162-Y164 VanDerWaalsContact C-N 3.27Å
165G54Low71.3Confident56 Ų5683.1 Ų83.158%0.57745%0.447SS*.SBendtrans-172.1135.4176.700000110.9T167G165-T167 PolarHBondContact O-N 2.9Å
166T58.5Low71.5Confident97 Ų9785 Ų8560%0.59547%0.467SS*.  trans-47.7136.6164.340.10000109.6Y168 F169T166-Y168 PolarHBondContact O-N 3.18Å; T166-F169 PolarHBondContact O-N 3.09Å; T166-F169 WeakPolarHBondContact OG1-CD2 3.43Å
167T60.8Low71.9Confident48 Ų4883.9 Ų83.929%0.29446%0.455SS..G310 helixtrans-56.2-31.9-161.6-25.50000114.5V152 G165 F169 N170 I173V152-T167 HydrophobicContact CB-CG2 3.95Å; V152-T167 HydrophobicContact CG1-CG2 3.74Å; V152-T167 HydrophobicContact CG2-CG2 3.52Å; V152-T167 WeakPolarHBondContact O-CG2 3.39Å; G165-T167 PolarHBondContact O-N 2.9Å; T167-F169 VanDerWaalsContact C-N 3.32Å; T167-F169 PolarHBondContact O-N 2.76Å; T167-N170 WeakPolarHBondContact O-CB 3.3Å; T167-N170 PolarHBondContact O-N 3.47Å; T167-I173 VanDerWaalsContact O-CD1 3.29Å; T167-I173 WeakPolarHBondContact O-CD1 3.38Å
168Y65.9Low72.2Confident143 Ų14379.3 Ų79.356%0.56143%0.431SS*.G310 helixtrans-67.6-23.6177-71-76.3000115.3T166 N170 V183T166-Y168 PolarHBondContact O-N 3.18Å; Y168-N170 PolarHBondContact O-N 2.89Å; Y168-V183 HydrophobicContact CE1-CG2 4.33Å
169F70.4Confident72.5Confident167 Ų16783.3 Ų83.373%0.73245%0.449SS*.G310 helixtrans-91.415.5178.1-66.9-92.1000112.2T166 T167T166-F169 PolarHBondContact O-N 3.09Å; T166-F169 WeakPolarHBondContact OG1-CD2 3.43Å; T167-F169 VanDerWaalsContact C-N 3.32Å; T167-F169 PolarHBondContact O-N 2.76Å
170N77.1Confident73Confident9 Ų983.1 Ų83.15%0.04845%0.446CS..  trans-63.6126.5171.1-171.6-35.7000108.8A155 T167 Y168 L172 I173 A174A155-N170 VanDerWaalsContact C-ND2 3.32Å; A155-N170 VanDerWaalsContact CB-ND2 3.34Å; A155-N170 WeakPolarHBondContact CB-ND2 3.34Å; A155-N170 PolarHBondContact O-ND2 2.67Å; A155-N170 VanDerWaalsContact O-ND2 3.16Å; T167-N170 WeakPolarHBondContact O-CB 3.3Å; T167-N170 PolarHBondContact O-N 3.47Å; Y168-N170 PolarHBondContact O-N 2.89Å; N170-L172 PolarHBondContact O-N 2.87Å; N170-L172 PolarHBondContact OD1-N 2.94Å; N170-L172 VanDerWaalsContact OD1-N 3.09Å; N170-I173 HydrophobicContact CB-CD1 4.02Å; N170-I173 HydrophobicContact CB-CG1 4.18Å; N170-I173 PolarHBondContact O-N 2.75Å; N170-A174 PolarHBondContact O-N 2.83Å; N170-A174 VanDerWaalsContact O-N 3.07Å
171P81.8Confident73.9Confident67 Ų6778.1 Ų78.144%0.43542%0.416SS..Hα-helixtrans-56.1-27.6-178.221.6-34.7000113.4S175P171-S175 VanDerWaalsContact O-CB 3.24Å; P171-S175 WeakPolarHBondContact O-CB 3.33Å; P171-S175 PolarHBondContact O-N 3.14Å; P171-S175 PolarHBondContact O-OG 3.47Å
172L84.6Confident74.9Confident24 Ų2471.1 Ų71.113%0.12639%0.388CS..Hα-helixtrans-72.8-30.3177.5-67178.7000113.5L158 N170 S175 N177 I178L158-L172 HydrophobicContact CB-CD1 3.58Å; N170-L172 PolarHBondContact O-N 2.87Å; N170-L172 PolarHBondContact OD1-N 2.94Å; N170-L172 VanDerWaalsContact OD1-N 3.09Å; L172-S175 PolarHBondContact O-OG 2.89Å; L172-N177 HydrophobicContact CD2-CB 4.37Å; L172-N177 WeakPolarHBondContact O-CA 3.27Å; L172-N177 WeakPolarHBondContact O-CB 3.2Å; L172-N177 PolarHBondContact O-N 3.25Å; L172-I178 HydrophobicContact CB-CD1 3.52Å; L172-I178 HydrophobicContact CB-CG1 3.93Å; L172-I178 HydrophobicContact CD1-CD1 3.85Å; L172-I178 HydrophobicContact CG-CD1 4.35Å; L172-I178 PolarHBondContact O-N 3.45Å
173I84.8Confident76.1Confident40 Ų4072.3 Ų72.321%0.20539%0.393CS..Hα-helixtrans-75.8-46.5173.7-62.3173000108.6V152 A155 T167 N170 S175 G176 I178V152-I173 HydrophobicContact CG2-CD1 3.47Å; V152-I173 VanDerWaalsContact CG2-CD1 3.47Å; A155-I173 HydrophobicContact CB-CD1 4.33Å; T167-I173 VanDerWaalsContact O-CD1 3.29Å; T167-I173 WeakPolarHBondContact O-CD1 3.38Å; N170-I173 HydrophobicContact CB-CD1 4.02Å; N170-I173 HydrophobicContact CB-CG1 4.18Å; N170-I173 PolarHBondContact O-N 2.75Å; I173-S175 PolarHBondContact O-N 2.92Å; I173-G176 PolarHBondContact O-N 2.84Å; I173-I178 HydrophobicContact CG1-CB 3.86Å; I173-I178 HydrophobicContact CG1-CG2 3.92Å
174A83.9Confident77.5Confident85 Ų8568.7 Ų68.770%0.70238%0.382SS*.Hα-helixtrans-60-31.1176.800000112.9N170 G176N170-A174 PolarHBondContact O-N 2.83Å; N170-A174 VanDerWaalsContact O-N 3.07Å; A174-G176 VanDerWaalsContact C-N 3.31Å
175S85.6Confident79.1Confident66 Ų6664 Ų6446%0.46237%0.368SS..THydrogen-bonded Turntrans-83.40.1175.478.30000114.2P171 L172 I173 N177P171-S175 VanDerWaalsContact O-CB 3.24Å; P171-S175 WeakPolarHBondContact O-CB 3.33Å; P171-S175 PolarHBondContact O-N 3.14Å; P171-S175 PolarHBondContact O-OG 3.47Å; L172-S175 PolarHBondContact O-OG 2.89Å; I173-S175 PolarHBondContact O-N 2.92Å; S175-N177 VanDerWaalsContact C-N 3.3Å; S175-N177 PolarHBondContact O-N 3.46Å; S175-N177 PolarHBondContact OG-ND2 3.43Å; S175-N177 VanDerWaalsContact OG-ND2 3.13Å
176G87Confident80.5Confident41 Ų4164.3 Ų64.342%0.42336%0.361SS..THydrogen-bonded Turntrans72.913.8-177.400000115.4I173 A174I173-G176 PolarHBondContact O-N 2.84Å; A174-G176 VanDerWaalsContact C-N 3.31Å
177N90.1Very high81.9Confident42 Ų4261.3 Ų61.323%0.22534%0.341CS..SBendtrans-85.7-15179.2-72.8-17.2000113L145 V146 T147 L172 S175L145-N177 WeakPolarHBondContact O-CA 3.21Å; L145-N177 WeakPolarHBondContact O-CB 3.3Å; L145-N177 PolarHBondContact O-OD1 3.36Å; V146-N177 CarbonylContact C-O 3.59Å; V146-N177 WeakPolarHBondContact CA-O 3.36Å; T147-N177 PolarHBondContact N-O 2.75Å; L172-N177 HydrophobicContact CD2-CB 4.37Å; L172-N177 WeakPolarHBondContact O-CA 3.27Å; L172-N177 WeakPolarHBondContact O-CB 3.2Å; L172-N177 PolarHBondContact O-N 3.25Å; S175-N177 VanDerWaalsContact C-N 3.3Å; S175-N177 PolarHBondContact O-N 3.46Å; S175-N177 PolarHBondContact OG-ND2 3.43Å; S175-N177 VanDerWaalsContact OG-ND2 3.13Å
178I90.1Very high83.1Confident7 Ų763 Ų634%0.03636%0.355CS..EExtended strand (participates in β ladder)trans-125.8127.8175.8-65.7175.5000107.8T147 L149 A155 L158 L172 I173T147-I178 WeakPolarHBondContact O-CA 3.22Å; L149-I178 HydrophobicContact CB-CG2 4.44Å; L149-I178 HydrophobicContact CD1-CD1 4.18Å; L149-I178 HydrophobicContact CD1-CG2 3.67Å; L149-I178 HydrophobicContact CG-CG2 4.03Å; A155-I178 HydrophobicContact CB-CD1 3.6Å; L158-I178 HydrophobicContact CB-CD1 4.42Å; L158-I178 HydrophobicContact CD1-CD1 3.82Å; L158-I178 HydrophobicContact CD1-CG1 4.18Å; L172-I178 HydrophobicContact CB-CD1 3.52Å; L172-I178 HydrophobicContact CB-CG1 3.93Å; L172-I178 HydrophobicContact CD1-CD1 3.85Å; L172-I178 HydrophobicContact CG-CD1 4.35Å; L172-I178 PolarHBondContact O-N 3.45Å; I173-I178 HydrophobicContact CG1-CB 3.86Å; I173-I178 HydrophobicContact CG1-CG2 3.92Å
179F89.8Confident84.1Confident94 Ų9458.9 Ų58.941%0.41235%0.347SS..EExtended strand (participates in β ladder)trans-112.2128169.8-178.2-100.9000108.5T147 E148 L149 L184T147-F179 PolarHBondContact O-N 3.34Å; E148-F179 CarbonylContact C-O 3.38Å; E148-F179 VanDerWaalsContact CA-O 3.29Å; E148-F179 WeakPolarHBondContact CA-O 3.18Å; L149-F179 PolarHBondContact N-O 3.18Å; F179-L184 HydrophobicContact CZ-CD1 4.43Å; F179-L184 HydrophobicContact CZ-CD2 4.28Å; F179-L184 HydrophobicContact CZ-CG 4.27Å
180E85Confident85Confident11 Ų1154.8 Ų54.85%0.05133%0.332CS..EExtended strand (participates in β ladder)trans-106.9129.2177.3-173-123.5-161.100110.6L149 V152 N182 V183L149-E180 VanDerWaalsContact O-CA 3.29Å; L149-E180 WeakPolarHBondContact O-CA 3.34Å; V152-E180 HydrophobicContact CB-CB 4.4Å; V152-E180 HydrophobicContact CB-CG 3.87Å; E180-N182 VanDerWaalsContact C-N 3.27Å; E180-N182 PolarHBondContact O-N 3.44Å; E180-N182 VanDerWaalsContact OE1-CB 3.26Å; E180-N182 WeakPolarHBondContact OE1-CB 3.46Å; E180-N182 PolarHBondContact OE1-ND2 2.98Å; E180-N182 WeakPolarHBondContact OE2-CB 3.18Å; E180-V183 HydrophobicContact CB-CG2 4.16Å; E180-V183 WeakPolarHBondContact O-CB 3.24Å; E180-V183 WeakPolarHBondContact O-CG2 3.33Å; E180-V183 PolarHBondContact O-N 2.76Å; E180-V183 WeakPolarHBondContact OE2-CG2 3.11Å; E180-V183 PolarHBondContact OE2-N 3.11Å
181S82Confident85.5Confident24 Ų2456.4 Ų56.417%0.16834%0.343CS..G310 helixtrans-64.6-30.3-174.8-40.90000112.5E148 L149 V183 L184E148-S181 PolarHBondContact OE1-OG 3.42Å; L149-S181 PolarHBondContact O-N 2.96Å; S181-V183 VanDerWaalsContact C-N 3.27Å; S181-V183 PolarHBondContact O-N 3.2Å; S181-L184 WeakPolarHBondContact O-CB 3.37Å; S181-L184 PolarHBondContact O-N 3.45Å
182N79.4Confident85.8Confident44 Ų4460 Ų6024%0.23536%0.358CS..G310 helixtrans-73-15.7-178.8-54.2-42.1000113.7Y150 E180 L184 H185Y150-N182 PolarHBondContact O-ND2 2.94Å; E180-N182 VanDerWaalsContact C-N 3.27Å; E180-N182 PolarHBondContact O-N 3.44Å; E180-N182 VanDerWaalsContact OE1-CB 3.26Å; E180-N182 WeakPolarHBondContact OE1-CB 3.46Å; E180-N182 PolarHBondContact OE1-ND2 2.98Å; E180-N182 WeakPolarHBondContact OE2-CB 3.18Å; N182-L184 PolarHBondContact O-N 3.32Å; N182-L184 VanDerWaalsContact O-N 3.11Å; N182-H185 VanDerWaalsContact O-CB 3.31Å; N182-H185 WeakPolarHBondContact O-CB 3.27Å; N182-H185 PolarHBondContact O-N 3.27Å
183V81.6Confident86.1Confident58 Ų5867.3 Ų67.335%0.35239%0.389SS..G310 helixtrans-53.9-32.1170.5178.80000110.4Y168 E180 S181 H185 S186Y168-V183 HydrophobicContact CE1-CG2 4.33Å; E180-V183 HydrophobicContact CB-CG2 4.16Å; E180-V183 WeakPolarHBondContact O-CB 3.24Å; E180-V183 WeakPolarHBondContact O-CG2 3.33Å; E180-V183 PolarHBondContact O-N 2.76Å; E180-V183 WeakPolarHBondContact OE2-CG2 3.11Å; E180-V183 PolarHBondContact OE2-N 3.11Å; S181-V183 VanDerWaalsContact C-N 3.27Å; S181-V183 PolarHBondContact O-N 3.2Å; V183-H185 PolarHBondContact O-N 3.09Å; V183-S186 WeakPolarHBondContact O-CB 3.48Å; V183-S186 PolarHBondContact O-N 2.87Å; V183-S186 VanDerWaalsContact O-N 3.15Å; V183-S186 PolarHBondContact O-OG 3.23Å
184L83.6Confident86.3Confident96 Ų9668.6 Ų68.650%0.50340%0.396SS..G310 helixtrans-66.8-19.1177.3-60.1178.9000113.6F179 S181 N182 S186 L187F179-L184 HydrophobicContact CZ-CD1 4.43Å; F179-L184 HydrophobicContact CZ-CD2 4.28Å; F179-L184 HydrophobicContact CZ-CG 4.27Å; S181-L184 WeakPolarHBondContact O-CB 3.37Å; S181-L184 PolarHBondContact O-N 3.45Å; N182-L184 PolarHBondContact O-N 3.32Å; N182-L184 VanDerWaalsContact O-N 3.11Å; L184-S186 PolarHBondContact O-N 3.17Å; L184-L187 WeakPolarHBondContact O-CB 3.48Å; L184-L187 PolarHBondContact O-N 3.32Å
185H84.4Confident86.5Confident126 Ų12668.6 Ų68.658%0.58339%0.389SS*.Hα-helixtrans-64.8-29.6172.6-70.3-57.1000112.5N182 V183 L187 S188N182-H185 VanDerWaalsContact O-CB 3.31Å; N182-H185 WeakPolarHBondContact O-CB 3.27Å; N182-H185 PolarHBondContact O-N 3.27Å; V183-H185 PolarHBondContact O-N 3.09Å; H185-L187 PolarHBondContact O-N 3.26Å; H185-S188 WeakPolarHBondContact O-CB 3.22Å; H185-S188 PolarHBondContact O-N 3.28Å
186S84.7Confident86.6Confident61 Ų6169.7 Ų69.743%0.42739%0.393SS..Hα-helixtrans-65.8-25173.972.30000112.5V183 L184 S188 S189 N190V183-S186 WeakPolarHBondContact O-CB 3.48Å; V183-S186 PolarHBondContact O-N 2.87Å; V183-S186 VanDerWaalsContact O-N 3.15Å; V183-S186 PolarHBondContact O-OG 3.23Å; L184-S186 PolarHBondContact O-N 3.17Å; S186-S188 VanDerWaalsContact C-N 3.29Å; S186-S188 PolarHBondContact O-N 3.04Å; S186-S189 PolarHBondContact O-N 2.8Å; S186-S189 PolarHBondContact O-OG 2.82Å; S186-N190 PolarHBondContact O-N 2.99Å; S186-N190 PolarHBondContact O-ND2 3.35Å
187L87.1Confident86.7Confident35 Ų3569.7 Ų69.718%0.18338%0.384CS..Hα-helixtrans-64.8-35.9175.3-172.959.5000111L184 H185 S189 N190 V191 V197 I198 I201L184-L187 WeakPolarHBondContact O-CB 3.48Å; L184-L187 PolarHBondContact O-N 3.32Å; H185-L187 PolarHBondContact O-N 3.26Å; L187-S189 VanDerWaalsContact C-N 3.3Å; L187-S189 PolarHBondContact O-N 2.96Å; L187-N190 PolarHBondContact O-N 2.96Å; L187-V191 HydrophobicContact CD1-CG2 4.17Å; L187-V191 HydrophobicContact CG-CG2 4.11Å; L187-V191 VanDerWaalsContact O-CG2 3.28Å; L187-V191 WeakPolarHBondContact O-CG2 3.33Å; L187-V191 PolarHBondContact O-N 3.23Å; L187-V197 HydrophobicContact CD1-CG1 4.14Å; L187-I198 HydrophobicContact CD2-CD1 3.95Å; L187-I198 HydrophobicContact CG-CD1 4.37Å; L187-I201 HydrophobicContact CD1-CD1 3.56Å
188S85.4Confident86.5Confident83 Ų8370.3 Ų70.358%0.5839%0.387SS*.Hα-helixtrans-59.5-40.3177.6-53.70000112.4H185 S186 L192H185-S188 WeakPolarHBondContact O-CB 3.22Å; H185-S188 PolarHBondContact O-N 3.28Å; S186-S188 VanDerWaalsContact C-N 3.29Å; S186-S188 PolarHBondContact O-N 3.04Å; S188-L192 PolarHBondContact O-N 3.02Å
189S88.4Confident86.2Confident57 Ų5773 Ų7340%0.39940%0.404SS..Hα-helixtrans-67.5-38.8173.744.20000112.4S186 L187 L192 F193S186-S189 PolarHBondContact O-N 2.8Å; S186-S189 PolarHBondContact O-OG 2.82Å; L187-S189 VanDerWaalsContact C-N 3.3Å; L187-S189 PolarHBondContact O-N 2.96Å; S189-L192 WeakPolarHBondContact O-CB 3.28Å; S189-L192 PolarHBondContact O-N 2.95Å; S189-F193 WeakPolarHBondContact O-CD2 3.43Å; S189-F193 PolarHBondContact O-N 3.17Å
190N87.9Confident86.1Confident80 Ų8074 Ų7443%0.42841%0.408SS..Hα-helixtrans-65.8-42.3178.7-68.9-32.1000111.7S186 L187 L192 F193 D194 V197S186-N190 PolarHBondContact O-N 2.99Å; S186-N190 PolarHBondContact O-ND2 3.35Å; L187-N190 PolarHBondContact O-N 2.96Å; N190-L192 VanDerWaalsContact C-N 3.26Å; N190-L192 PolarHBondContact O-N 2.91Å; N190-F193 PolarHBondContact O-N 2.99Å; N190-F193 VanDerWaalsContact O-N 3.14Å; N190-D194 PolarHBondContact O-N 3.08Å; N190-V197 HydrophobicContact CB-CG1 4.38Å
191V88.1Confident86.2Confident43 Ų4376 Ų7626%0.26142%0.419SS..Hα-helixtrans-65.3-30.3178174.70000112.1L187 F193 D194 I198L187-V191 HydrophobicContact CD1-CG2 4.17Å; L187-V191 HydrophobicContact CG-CG2 4.11Å; L187-V191 VanDerWaalsContact O-CG2 3.28Å; L187-V191 WeakPolarHBondContact O-CG2 3.33Å; L187-V191 PolarHBondContact O-N 3.23Å; V191-F193 VanDerWaalsContact C-N 3.32Å; V191-D194 CarbonylContact O-C 3.53Å; V191-I198 HydrophobicContact CG2-CB 3.94Å; V191-I198 HydrophobicContact CG2-CD1 3.84Å
192L88.1Confident86.2Confident143 Ų14379.4 Ų79.475%0.74943%0.432SS*.Hα-helixtrans-64.1-37.3173.7-177.368.5000112.2S188 S189 N190S188-L192 PolarHBondContact O-N 3.02Å; S189-L192 WeakPolarHBondContact O-CB 3.28Å; S189-L192 PolarHBondContact O-N 2.95Å; N190-L192 VanDerWaalsContact C-N 3.26Å; N190-L192 PolarHBondContact O-N 2.91Å
193F90.5Very high86.3Confident177 Ų17780.2 Ų80.278%0.77644%0.439SS*.Hα-helixtrans-83.3-41.1179.5-71.5-69.6000112.6S189 N190 V191S189-F193 WeakPolarHBondContact O-CD2 3.43Å; S189-F193 PolarHBondContact O-N 3.17Å; N190-F193 PolarHBondContact O-N 2.99Å; N190-F193 VanDerWaalsContact O-N 3.14Å; V191-F193 VanDerWaalsContact C-N 3.32Å
194D89.9Confident86.5Confident68 Ų6882.6 Ų82.636%0.36445%0.448SS..  trans-142108.5177.8-17911.3000110.8N190 V191 T196 V197N190-D194 PolarHBondContact O-N 3.08Å; V191-D194 CarbonylContact O-C 3.53Å; D194-T196 PolarHBondContact O-N 2.69Å; D194-T196 WeakPolarHBondContact OD1-CB 3.32Å; D194-T196 PolarHBondContact OD1-N 2.84Å; D194-T196 PolarHBondContact OD1-OG1 2.87Å; D194-V197 HydrophobicContact CB-CG2 3.91Å; D194-V197 WeakPolarHBondContact O-CB 3.45Å; D194-V197 WeakPolarHBondContact O-CG2 3.48Å; D194-V197 PolarHBondContact O-N 3.35Å
195P87.7Confident86.5Confident85 Ų8583.5 Ų83.555%0.55245%0.453SS*.THydrogen-bonded Turntrans-67.6-19.2177.328.7-34.5000112.4V197 I198P195-V197 PolarHBondContact O-N 2.98Å; P195-I198 WeakPolarHBondContact O-CG2 3.25Å; P195-I198 PolarHBondContact O-N 2.84Å
196T88.6Confident85.9Confident88 Ų8879.6 Ų79.654%0.5445%0.447SS..Hα-helixtrans-63.3-26.2178.5-40.10000111.8D194 I198 T199 F200D194-T196 PolarHBondContact O-N 2.69Å; D194-T196 WeakPolarHBondContact OD1-CB 3.32Å; D194-T196 PolarHBondContact OD1-N 2.84Å; D194-T196 PolarHBondContact OD1-OG1 2.87Å; T196-I198 VanDerWaalsContact C-N 3.3Å; T196-I198 PolarHBondContact O-N 2.96Å; T196-T199 PolarHBondContact O-N 2.97Å; T196-F200 WeakPolarHBondContact O-CB 3.12Å; T196-F200 PolarHBondContact O-N 3.09Å
197V88.4Confident85.1Confident41 Ų4178.3 Ų78.325%0.24844%0.443CS..Hα-helixtrans-58.6-40.7179.5176.90000111.5L187 N190 D194 P195 I201L187-V197 HydrophobicContact CD1-CG1 4.14Å; N190-V197 HydrophobicContact CB-CG1 4.38Å; D194-V197 HydrophobicContact CB-CG2 3.91Å; D194-V197 WeakPolarHBondContact O-CB 3.45Å; D194-V197 WeakPolarHBondContact O-CG2 3.48Å; D194-V197 PolarHBondContact O-N 3.35Å; P195-V197 PolarHBondContact O-N 2.98Å; V197-I201 HydrophobicContact CG1-CD1 3.75Å; V197-I201 HydrophobicContact CG1-CG1 4.5Å; V197-I201 WeakPolarHBondContact O-CB 3.34Å; V197-I201 VanDerWaalsContact O-CG1 3.26Å; V197-I201 WeakPolarHBondContact O-CG1 3.35Å; V197-I201 PolarHBondContact O-N 3.29Å
198I85.9Confident84.1Confident56 Ų5677.9 Ų77.929%0.28745%0.447SS..Hα-helixtrans-68.6-46.8180-158.5116000111L187 V191 P195 T196 F200 I201 E202L187-I198 HydrophobicContact CD2-CD1 3.95Å; L187-I198 HydrophobicContact CG-CD1 4.37Å; V191-I198 HydrophobicContact CG2-CB 3.94Å; V191-I198 HydrophobicContact CG2-CD1 3.84Å; P195-I198 WeakPolarHBondContact O-CG2 3.25Å; P195-I198 PolarHBondContact O-N 2.84Å; T196-I198 VanDerWaalsContact C-N 3.3Å; T196-I198 PolarHBondContact O-N 2.96Å; I198-F200 VanDerWaalsContact C-N 3.26Å; I198-F200 PolarHBondContact O-N 3.44Å; I198-I201 PolarHBondContact O-N 3.16Å; I198-I201 VanDerWaalsContact O-N 3.16Å; I198-E202 HydrophobicContact CG1-CG 4.39Å; I198-E202 WeakPolarHBondContact O-CB 3.49Å; I198-E202 WeakPolarHBondContact O-CG 3.35Å; I198-E202 PolarHBondContact O-N 2.79Å
199T84Confident82.6Confident64 Ų6476.2 Ų76.239%0.39344%0.435SS..Hα-helixtrans-61.4-38179.9-51.10000111.3T196 T203T196-T199 PolarHBondContact O-N 2.97Å; T199-T203 WeakPolarHBondContact O-CB 3.25Å; T199-T203 PolarHBondContact O-N 3.39Å; T199-T203 PolarHBondContact O-OG1 3.11Å
200F87.1Confident81.3Confident113 Ų11375.2 Ų75.250%0.49643%0.433SS..Hα-helixtrans-64.2-48.9174.8177.3-106.6000112.1T196 I198 E202 T203 I204T196-F200 WeakPolarHBondContact O-CB 3.12Å; T196-F200 PolarHBondContact O-N 3.09Å; I198-F200 VanDerWaalsContact C-N 3.26Å; I198-F200 PolarHBondContact O-N 3.44Å; F200-E202 PolarHBondContact O-N 2.95Å; F200-T203 PolarHBondContact O-N 3.04Å; F200-I204 HydrophobicContact CD1-CD1 4.02Å; F200-I204 HydrophobicContact CD2-CD1 4.14Å; F200-I204 HydrophobicContact CE1-CD1 3.41Å; F200-I204 VanDerWaalsContact CE1-CD1 3.41Å; F200-I204 HydrophobicContact CE2-CD1 3.54Å; F200-I204 HydrophobicContact CE2-CG1 4.33Å; F200-I204 HydrophobicContact CG-CD1 4.37Å; F200-I204 HydrophobicContact CZ-CD1 3.16Å; F200-I204 HydrophobicContact CZ-CG1 4.35Å; F200-I204 WeakPolarHBondContact O-CG1 3.49Å; F200-I204 PolarHBondContact O-N 3.07Å
201I86.9Confident80.2Confident54 Ų5476.2 Ų76.228%0.27744%0.435SS..Hα-helixtrans-62.3-44.1178.4-71168.9000110.9L187 V197 I198 T203 I204 L205L187-I201 HydrophobicContact CD1-CD1 3.56Å; V197-I201 HydrophobicContact CG1-CD1 3.75Å; V197-I201 HydrophobicContact CG1-CG1 4.5Å; V197-I201 WeakPolarHBondContact O-CB 3.34Å; V197-I201 VanDerWaalsContact O-CG1 3.26Å; V197-I201 WeakPolarHBondContact O-CG1 3.35Å; V197-I201 PolarHBondContact O-N 3.29Å; I198-I201 PolarHBondContact O-N 3.16Å; I198-I201 VanDerWaalsContact O-N 3.16Å; I201-T203 VanDerWaalsContact C-N 3.31Å; I201-T203 PolarHBondContact O-N 3.32Å; I201-I204 PolarHBondContact O-N 3.37Å; I201-L205 HydrophobicContact CG2-CD1 3.52Å; I201-L205 HydrophobicContact CG2-CG 4.08Å; I201-L205 WeakPolarHBondContact O-CB 3.08Å; I201-L205 WeakPolarHBondContact O-CG 3.29Å; I201-L205 PolarHBondContact O-N 3.22Å
202E82.4Confident79.1Confident95 Ų9577.1 Ų77.144%0.44444%0.436SS..Hα-helixtrans-61.5-39.1176.8-74.3176.1164.500112.1I198 F200 G206I198-E202 HydrophobicContact CG1-CG 4.39Å; I198-E202 WeakPolarHBondContact O-CB 3.49Å; I198-E202 WeakPolarHBondContact O-CG 3.35Å; I198-E202 PolarHBondContact O-N 2.79Å; F200-E202 PolarHBondContact O-N 2.95Å; E202-G206 VanDerWaalsContact O-CA 3.28Å; E202-G206 WeakPolarHBondContact O-CA 3.29Å; E202-G206 PolarHBondContact O-N 3.38Å
203T82.5Confident78.1Confident62 Ų6273.2 Ų73.238%0.3842%0.418SS..Hα-helixtrans-68-42.3178.1-57.50000111.5T199 F200 I201 G207 G208T199-T203 WeakPolarHBondContact O-CB 3.25Å; T199-T203 PolarHBondContact O-N 3.39Å; T199-T203 PolarHBondContact O-OG1 3.11Å; F200-T203 PolarHBondContact O-N 3.04Å; I201-T203 VanDerWaalsContact C-N 3.31Å; I201-T203 PolarHBondContact O-N 3.32Å; T203-G207 PolarHBondContact O-N 2.94Å; T203-G208 PolarHBondContact O-N 3.33Å
204I84.7Confident77.1Confident107 Ų10770.3 Ų70.355%0.54941%0.407SS..Hα-helixtrans-69.4-48.5179-71.5-179.1000111.3F200 I201F200-I204 HydrophobicContact CD1-CD1 4.02Å; F200-I204 HydrophobicContact CD2-CD1 4.14Å; F200-I204 HydrophobicContact CE1-CD1 3.41Å; F200-I204 VanDerWaalsContact CE1-CD1 3.41Å; F200-I204 HydrophobicContact CE2-CD1 3.54Å; F200-I204 HydrophobicContact CE2-CG1 4.33Å; F200-I204 HydrophobicContact CG-CD1 4.37Å; F200-I204 HydrophobicContact CZ-CD1 3.16Å; F200-I204 HydrophobicContact CZ-CG1 4.35Å; F200-I204 WeakPolarHBondContact O-CG1 3.49Å; F200-I204 PolarHBondContact O-N 3.07Å; I201-I204 PolarHBondContact O-N 3.37Å
205L83.1Confident75.9Confident116 Ų11672.7 Ų72.761%0.60741%0.414SS*.Hα-helixtrans-75.4-39.7-176.8-65.4-178.8000111.9P34 I201 G207P34-L205 WeakPolarHBondContact CB-O 3.33Å; P34-L205 VanDerWaalsContact CG-O 3.27Å; P34-L205 WeakPolarHBondContact CG-O 3.35Å; I201-L205 HydrophobicContact CG2-CD1 3.52Å; I201-L205 HydrophobicContact CG2-CG 4.08Å; I201-L205 WeakPolarHBondContact O-CB 3.08Å; I201-L205 WeakPolarHBondContact O-CG 3.29Å; I201-L205 PolarHBondContact O-N 3.22Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 2.96Å
206G71.9Confident75Confident43 Ų4371.9 Ų71.944%0.44341%0.408SS..Hα-helixtrans-76.2-12.9179.600000114E202 G208E202-G206 VanDerWaalsContact O-CA 3.28Å; E202-G206 WeakPolarHBondContact O-CA 3.29Å; E202-G206 PolarHBondContact O-N 3.38Å; G206-G208 VanDerWaalsContact C-N 3.28Å; G206-G208 PolarHBondContact O-N 3.32Å
207G67.9Low74Confident34 Ų3470.5 Ų70.535%0.35139%0.394SS..THydrogen-bonded Turntrans67.128.6-17900000113.3S37 T203 L205S37-G207 PolarHBondContact OG-O 2.84Å; T203-G207 PolarHBondContact O-N 2.94Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 2.96Å
208G66Low72.9Confident26 Ų2672.8 Ų72.827%0.26842%0.417SS..SBendtrans159.2171.7179.400000114.1T203 G206 G210T203-G208 PolarHBondContact O-N 3.33Å; G206-G208 VanDerWaalsContact C-N 3.28Å; G206-G208 PolarHBondContact O-N 3.32Å; G208-G210 PolarHBondContact O-N 3.5Å; G208-G210 VanDerWaalsContact O-N 3.08Å
209P55.4Low71.6Confident49 Ų4975.5 Ų75.532%0.31843%0.431SS..  trans-70.2106.3-176.423.8-27.2000110.8H211 F350P209-H211 VanDerWaalsContact C-N 3.34Å; P209-H211 PolarHBondContact O-N 3.43Å; P209-F350 HydrophobicContact CB-CD1 3.99Å; P209-F350 HydrophobicContact CB-CE1 3.57Å; P209-F350 HydrophobicContact CB-CE2 4.13Å; P209-F350 HydrophobicContact CB-CG 4.44Å; P209-F350 HydrophobicContact CB-CZ 3.64Å; P209-F350 HydrophobicContact CG-CD1 4.01Å; P209-F350 HydrophobicContact CG-CD2 3.65Å; P209-F350 HydrophobicContact CG-CE1 3.65Å; P209-F350 HydrophobicContact CG-CE2 3.24Å; P209-F350 HydrophobicContact CG-CG 4.01Å; P209-F350 HydrophobicContact CG-CZ 3.24Å
210G61.3Low70.1Confident35 Ų3574.9 Ų74.936%0.36143%0.426SS..Hα-helixtrans-60.2-36.1-173.900000114.3G208 E212 V213 E214G208-G210 PolarHBondContact O-N 3.5Å; G208-G210 VanDerWaalsContact O-N 3.08Å; G210-E212 VanDerWaalsContact C-N 3.32Å; G210-E212 PolarHBondContact O-N 2.87Å; G210-E212 VanDerWaalsContact O-N 3.13Å; G210-V213 CarbonylContact O-C 3.55Å; G210-V213 PolarHBondContact O-N 3.49Å; G210-V213 VanDerWaalsContact O-N 3.08Å; G210-E214 VanDerWaalsContact O-CB 3.24Å; G210-E214 WeakPolarHBondContact O-CB 3.29Å; G210-E214 PolarHBondContact O-N 3.02Å
211H64.2Low68.6Low102 Ų10274.6 Ų74.647%0.47244%0.437SS..Hα-helixtrans-58.7-34.8-168-68.5-53000115.6P209 E214 K215P209-H211 VanDerWaalsContact C-N 3.34Å; P209-H211 PolarHBondContact O-N 3.43Å; H211-E214 IonicContact ND1-OE2 3.59Å; H211-E214 PolarHBondContact ND1-OE2 3.27Å; H211-K215 VanDerWaalsContact O-CG 3.24Å; H211-K215 WeakPolarHBondContact O-CG 3.35Å; H211-K215 PolarHBondContact O-N 3.24Å
212E64.8Low67Low61 Ų6172.2 Ų72.229%0.28543%0.427SS..Hα-helixtrans-77.9-35.6-179.6-68.1-62.4132.700112G210 K215 V216 K348G210-E212 VanDerWaalsContact C-N 3.32Å; G210-E212 PolarHBondContact O-N 2.87Å; G210-E212 VanDerWaalsContact O-N 3.13Å; E212-K215 IonicContact OE1-NZ 3.39Å; E212-K215 PolarHBondContact OE1-NZ 3.04Å; E212-V216 WeakPolarHBondContact O-CG2 3.49Å; E212-V216 PolarHBondContact O-N 2.93Å; E212-K348 HydrophobicContact CG-CD 4.03Å; E212-K348 WeakPolarHBondContact OE2-CE 3.39Å; E212-K348 IonicContact OE2-NZ 2.89Å; E212-K348 PolarHBondContact OE2-NZ 3.16Å
213V67.7Low65.7Low62 Ų6271.7 Ų71.738%0.37642%0.423SS..Hα-helixtrans-70.2-41.5173.8171.90000109.6G210 K215 V216 F217 F223G210-V213 CarbonylContact O-C 3.55Å; G210-V213 PolarHBondContact O-N 3.49Å; G210-V213 VanDerWaalsContact O-N 3.08Å; V213-K215 PolarHBondContact O-N 2.85Å; V213-V216 WeakPolarHBondContact O-CB 3.44Å; V213-V216 PolarHBondContact O-N 3.24Å; V213-V216 VanDerWaalsContact O-N 3.13Å; V213-F217 HydrophobicContact CG1-CD2 3.52Å; V213-F217 HydrophobicContact CG1-CE2 3.42Å; V213-F217 VanDerWaalsContact CG1-CE2 3.42Å; V213-F217 WeakPolarHBondContact O-CD2 3.38Å; V213-F217 PolarHBondContact O-N 3.01Å; V213-F223 HydrophobicContact CG1-CE1 4.03Å; V213-F223 HydrophobicContact CG1-CE2 4.46Å; V213-F223 HydrophobicContact CG1-CZ 3.54Å
214E67.8Low64.3Low116 Ų11673.8 Ų73.854%0.54243%0.427SS..Hα-helixtrans-61.6-41.2176.3-171.8-178.9-165.500112.2G210 H211 V216 F217 A218G210-E214 VanDerWaalsContact O-CB 3.24Å; G210-E214 WeakPolarHBondContact O-CB 3.29Å; G210-E214 PolarHBondContact O-N 3.02Å; H211-E214 IonicContact ND1-OE2 3.59Å; H211-E214 PolarHBondContact ND1-OE2 3.27Å; E214-V216 VanDerWaalsContact C-N 3.32Å; E214-V216 PolarHBondContact O-N 3.38Å; E214-F217 CarbonylContact O-C 3.56Å; E214-F217 PolarHBondContact O-N 3.1Å; E214-A218 VanDerWaalsContact O-CB 3.31Å; E214-A218 WeakPolarHBondContact O-CB 3.13Å; E214-A218 PolarHBondContact O-N 2.7Å
215K66.5Low62.2Low117 Ų11774 Ų7451%0.50944%0.435SS..Hα-helixtrans-57.6-44.9171.1-77.5169.8-171.5173.60111.8H211 E212 V213 A218 I219H211-K215 VanDerWaalsContact O-CG 3.24Å; H211-K215 WeakPolarHBondContact O-CG 3.35Å; H211-K215 PolarHBondContact O-N 3.24Å; E212-K215 IonicContact OE1-NZ 3.39Å; E212-K215 PolarHBondContact OE1-NZ 3.04Å; V213-K215 PolarHBondContact O-N 2.85Å; K215-A218 PolarHBondContact O-N 3.25Å; K215-I219 WeakPolarHBondContact O-CG1 3.49Å; K215-I219 PolarHBondContact O-N 2.91Å; K215-I219 VanDerWaalsContact O-N 3.11Å
216V66.9Low60.1Low69 Ų6971.8 Ų71.842%0.41844%0.44SS..Hα-helixtrans-63.8-45.1176.3175.80000110E212 V213 E214 A218 I219 D220E212-V216 WeakPolarHBondContact O-CG2 3.49Å; E212-V216 PolarHBondContact O-N 2.93Å; V213-V216 WeakPolarHBondContact O-CB 3.44Å; V213-V216 PolarHBondContact O-N 3.24Å; V213-V216 VanDerWaalsContact O-N 3.13Å; E214-V216 VanDerWaalsContact C-N 3.32Å; E214-V216 PolarHBondContact O-N 3.38Å; V216-A218 VanDerWaalsContact C-N 3.26Å; V216-A218 PolarHBondContact O-N 3Å; V216-I219 PolarHBondContact O-N 2.73Å; V216-D220 WeakPolarHBondContact O-CA 3.48Å; V216-D220 WeakPolarHBondContact O-CB 3.25Å; V216-D220 PolarHBondContact O-N 2.79Å; V216-D220 VanDerWaalsContact O-O 3.1Å
217F68.1Low58.5Low59 Ų5973.9 Ų73.926%0.25944%0.441SS..Hα-helixtrans-61.1-32.1175.6-87.7-72.9000114.2L33 V213 E214 D220 F223L33-F217 HydrophobicContact CD1-CE2 4.3Å; L33-F217 HydrophobicContact CD1-CZ 4.02Å; V213-F217 HydrophobicContact CG1-CD2 3.52Å; V213-F217 HydrophobicContact CG1-CE2 3.42Å; V213-F217 VanDerWaalsContact CG1-CE2 3.42Å; V213-F217 WeakPolarHBondContact O-CD2 3.38Å; V213-F217 PolarHBondContact O-N 3.01Å; E214-F217 CarbonylContact O-C 3.56Å; E214-F217 PolarHBondContact O-N 3.1Å; F217-D220 CarbonylContact C-O 3.41Å; F217-D220 WeakPolarHBondContact CA-O 3.4Å; F217-D220 CarbonylContact O-C 3.6Å; F217-D220 VanDerWaalsContact O-O 3.08Å; F217-F223 HydrophobicContact CE1-CD2 4.27Å; F217-F223 HydrophobicContact CE1-CE2 4.34Å; F217-F223 AromaticContact CE2-CD2 3.92Å; F217-F223 HydrophobicContact CE2-CD2 3.92Å; F217-F223 HydrophobicContact CE2-CE1 4.31Å; F217-F223 AromaticContact CE2-CE2 3.25Å; F217-F223 HydrophobicContact CE2-CE2 3.25Å; F217-F223 AromaticContact CE2-CZ 3.5Å; F217-F223 HydrophobicContact CE2-CZ 3.5Å; F217-F223 VanDerWaalsContact CE2-CZ 3.5Å; F217-F223 AromaticContact CZ-CD2 3.4Å; F217-F223 HydrophobicContact CZ-CD2 3.4Å; F217-F223 AromaticContact CZ-CE2 3.13Å; F217-F223 HydrophobicContact CZ-CE2 3.13Å; F217-F223 HydrophobicContact CZ-CG 4.32Å; F217-F223 AromaticContact CZ-CZ 3.89Å; F217-F223 HydrophobicContact CZ-CZ 3.89Å
218A64.7Low56.7Low88 Ų8884.2 Ų84.273%0.72747%0.469SS*.Hα-helixtrans-73.5-34.6178.500000112.1E214 K215 V216E214-A218 VanDerWaalsContact O-CB 3.31Å; E214-A218 WeakPolarHBondContact O-CB 3.13Å; E214-A218 PolarHBondContact O-N 2.7Å; K215-A218 PolarHBondContact O-N 3.25Å; V216-A218 VanDerWaalsContact C-N 3.26Å; V216-A218 PolarHBondContact O-N 3Å
219I60.3Low55.1Low114 Ų11486.5 Ų86.559%0.58549%0.493SS*.Hα-helixtrans-74.7-46173.5-63.1164000109.4K215 V216K215-I219 WeakPolarHBondContact O-CG1 3.49Å; K215-I219 PolarHBondContact O-N 2.91Å; K215-I219 VanDerWaalsContact O-N 3.11Å; V216-I219 PolarHBondContact O-N 2.73Å
220D52.4Low53.9Low51 Ų5190.6 Ų90.627%0.27351%0.508SS..SBendtrans-135.2113.8-163.4-84.2-28.6000108.3V216 F217 G222 F224V216-D220 WeakPolarHBondContact O-CA 3.48Å; V216-D220 WeakPolarHBondContact O-CB 3.25Å; V216-D220 PolarHBondContact O-N 2.79Å; V216-D220 VanDerWaalsContact O-O 3.1Å; F217-D220 CarbonylContact C-O 3.41Å; F217-D220 WeakPolarHBondContact CA-O 3.4Å; F217-D220 CarbonylContact O-C 3.6Å; F217-D220 VanDerWaalsContact O-O 3.08Å; D220-G222 PolarHBondContact O-N 3.06Å; D220-F224 HydrophobicContact CB-CD2 3.92Å; D220-F224 HydrophobicContact CB-CE2 3.51Å; D220-F224 VanDerWaalsContact CG-CE2 3.49Å
221S54.1Low52.2Low106 Ų10694.1 Ų94.174%0.74152%0.524SS*.SBendtrans-68.435.5-173.947.60000115.4
222G53.8Low50.6Low5 Ų594.5 Ų94.55%0.05253%0.533CS..SBendtrans173.1165.9173.300000114.2D220 F224D220-G222 PolarHBondContact O-N 3.06Å; G222-F224 PolarHBondContact O-N 2.9Å
223F55.6Low48.8Very low83 Ų8395.7 Ų95.736%0.36455%0.549SS..  trans-72.5103.9171.8-77.2-76.3000111.1L33 N66 V213 F217 P225L33-F223 HydrophobicContact CD1-CE2 4.43Å; L33-F223 HydrophobicContact CD2-CD2 4.11Å; L33-F223 HydrophobicContact CD2-CE2 3.45Å; L33-F223 VanDerWaalsContact CD2-CE2 3.45Å; L33-F223 HydrophobicContact CD2-CZ 4.4Å; N66-F223 HydrophobicContact CB-CB 4.35Å; N66-F223 VanDerWaalsContact CB-O 3.28Å; N66-F223 WeakPolarHBondContact CB-O 3.42Å; N66-F223 PolarHBondContact ND2-O 3.24Å; V213-F223 HydrophobicContact CG1-CE1 4.03Å; V213-F223 HydrophobicContact CG1-CE2 4.46Å; V213-F223 HydrophobicContact CG1-CZ 3.54Å; F217-F223 HydrophobicContact CE1-CD2 4.27Å; F217-F223 HydrophobicContact CE1-CE2 4.34Å; F217-F223 AromaticContact CE2-CD2 3.92Å; F217-F223 HydrophobicContact CE2-CD2 3.92Å; F217-F223 HydrophobicContact CE2-CE1 4.31Å; F217-F223 AromaticContact CE2-CE2 3.25Å; F217-F223 HydrophobicContact CE2-CE2 3.25Å; F217-F223 AromaticContact CE2-CZ 3.5Å; F217-F223 HydrophobicContact CE2-CZ 3.5Å; F217-F223 VanDerWaalsContact CE2-CZ 3.5Å; F217-F223 AromaticContact CZ-CD2 3.4Å; F217-F223 HydrophobicContact CZ-CD2 3.4Å; F217-F223 AromaticContact CZ-CE2 3.13Å; F217-F223 HydrophobicContact CZ-CE2 3.13Å; F217-F223 HydrophobicContact CZ-CG 4.32Å; F217-F223 AromaticContact CZ-CZ 3.89Å; F217-F223 HydrophobicContact CZ-CZ 3.89Å; F223-P225 WeakPolarHBondContact O-CD 3.28Å
224F53Low46.8Very low107 Ų10798.9 Ų98.947%0.46957%0.568SS.*  trans-77.3124.1178.2-72.9-70.3000112.7D220 G222 G226D220-F224 HydrophobicContact CB-CD2 3.92Å; D220-F224 HydrophobicContact CB-CE2 3.51Å; D220-F224 VanDerWaalsContact CG-CE2 3.49Å; G222-F224 PolarHBondContact O-N 2.9Å; F224-G226 PolarHBondContact O-N 3.25Å; F224-G226 VanDerWaalsContact O-N 3.08Å
225P40.6Very low44.9Very low111 Ų111100.5 Ų100.572%0.72158%0.58SS**THydrogen-bonded Turntrans-80.486.6170.932.7-29.1000108.2F223F223-P225 WeakPolarHBondContact O-CD 3.28Å
226G38.8Very low42.9Very low69 Ų69100.7 Ų100.771%0.71159%0.591SS**THydrogen-bonded Turntrans177-19.3179.200000116.8F224 R228F224-G226 PolarHBondContact O-N 3.25Å; F224-G226 VanDerWaalsContact O-N 3.08Å; G226-R228 VanDerWaalsContact C-N 3.32Å; G226-R228 PolarHBondContact O-N 3.08Å
227L38.2Very low40.9Very low88 Ų88105.9 Ų105.946%0.46161%0.608SS.*  trans-91.550.4-177.5-69.6166.5000113.1G229 Q230L227-G229 VanDerWaalsContact C-N 3.28Å; L227-G229 PolarHBondContact O-N 3.29Å; L227-Q230 HydrophobicContact CD2-CB 4.09Å
228R29.6Very low39.1Very low251 Ų251108.7 Ų108.795%0.94763%0.633SS**SBendtrans-7388.9161.4-86.4-170.4173.3-177.3-0.7108.3G226G226-R228 VanDerWaalsContact C-N 3.32Å; G226-R228 PolarHBondContact O-N 3.08Å
229G33.5Very low37.4Very low74 Ų74111.9 Ų111.976%0.76364%0.637SS**SBendtrans10017.1161.700000118.5L227L227-G229 VanDerWaalsContact C-N 3.28Å; L227-G229 PolarHBondContact O-N 3.29Å
230Q29.3Very low36Very low134 Ų134115.6 Ų115.663%0.62665%0.646SS**  trans-103.2126.7170-79.7-172.2-22.500111.7L227L227-Q230 HydrophobicContact CD2-CB 4.09Å
231P27Very low34.9Very low109 Ų109121.5 Ų121.571%0.70868%0.676SS**  trans-68.1131173.327.7-30.9000109.6S233P231-S233 VanDerWaalsContact C-N 3.26Å; P231-S233 PolarHBondContact O-N 3.35Å
232V29.8Very low33.8Very low110 Ų110122.4 Ų122.467%0.66768%0.678SS**SBendtrans-70.683.3-179.7-178.10000109.4
233S26.4Very low32.4Very low87 Ų87125.5 Ų125.561%0.60871%0.709SS**  trans-150.4108.616445.40000107P231P231-S233 VanDerWaalsContact C-N 3.26Å; P231-S233 PolarHBondContact O-N 3.35Å
234T25.7Very low31.3Very low128 Ų128128.9 Ų128.979%0.78573%0.731SS**  trans89.788.6170.3-30.40000115.9
235L27.7Very low30.1Very low150 Ų150131.1 Ų131.179%0.78575%0.746SS**  trans-138.6116.9148.9-77.9178.4000110.9
236T25.5Very low29.4Very low122 Ų122131.9 Ų131.975%0.74875%0.751SS**PPolyproline II helixtrans-70.5134.2174.8430000111P238T236-P238 WeakPolarHBondContact O-CD 3.37Å
237F25.7Very low29.1Very low177 Ų177133.7 Ų133.778%0.77675%0.753SS**PPolyproline II helixtrans-64.3126.8174.7-65.3-82.5000111.1
238P29.6Very low28.7Very low119 Ų119138.1 Ų138.177%0.77377%0.771SS**PPolyproline II helixtrans-77.3131.8162-6.724.6000109.1T236T236-P238 WeakPolarHBondContact O-CD 3.37Å
239D29.8Very low28.7Very low154 Ų154131.1 Ų131.182%0.82476%0.756SS**PPolyproline II helixtrans-50.2133.4-176.1-67.7-50.4000113.6L241D239-L241 PolarHBondContact O-N 3.24Å; D239-L241 VanDerWaalsContact O-N 3.13Å
240Y30.4Very low28.5Very low193 Ų193134.2 Ų134.276%0.75776%0.755SS**  trans-58.8115.3165.5-57.3-88.5000108.4T242Y240-T242 VanDerWaalsContact C-N 3.26Å; Y240-T242 PolarHBondContact O-N 3.26Å
241L28.3Very low28.5Very low175 Ų175134.4 Ų134.492%0.91676%0.761SS**  trans-55.288.2169.8-70.1164.9000110D239 G243D239-L241 PolarHBondContact O-N 3.24Å; D239-L241 VanDerWaalsContact O-N 3.13Å; L241-G243 PolarHBondContact O-N 3.44Å
242T30.7Very low28.7Very low125 Ų125137.4 Ų137.477%0.76776%0.763SS**  trans-62.1115.5152.844.30000106.7Y240 N244Y240-T242 VanDerWaalsContact C-N 3.26Å; Y240-T242 PolarHBondContact O-N 3.26Å; T242-N244 PolarHBondContact O-N 2.96Å
243G25.8Very low28.7Very low69 Ų69138.5 Ų138.571%0.71177%0.765SS**  trans-52.6129.8179.700000111.7L241L241-G243 PolarHBondContact O-N 3.44Å
244N31.3Very low28.8Very low155 Ų155142.5 Ų142.583%0.82977%0.774SS**  trans-135.8127.4150.4-86.1-31.2000108.4T242T242-N244 PolarHBondContact O-N 2.96Å
245I29.3Very low29Very low153 Ų153143 Ų14379%0.78577%0.77SS**  trans-59.7139-171.2-63.3147.8000111.4S247I245-S247 PolarHBondContact O-N 2.83Å
246P25Very low28.9Very low127 Ų127142.3 Ų142.383%0.82577%0.768SS**  trans-85.7107.7170.131.9-26.4000109.7
247S32.8Very low29Very low108 Ų108144.7 Ų144.776%0.75577%0.77SS**  trans-98.198.3164.660.30000109.9I245I245-S247 PolarHBondContact O-N 2.83Å
248Q29.3Very low29.1Very low180 Ų180141.5 Ų141.584%0.84177%0.767SS**  29.6131.3129.7-105.1-167.98.600120.4
249V29.4Very low29Very low105 Ų105146.4 Ų146.464%0.63677%0.772SS**  trans114.5115.1132177.10000117.2
250D30.2Very low28.8Very low138 Ų138143.7 Ų143.774%0.73877%0.765SS**  trans78.8101.1146.2-62-10.4000123
251D28.4Very low28.7Very low138 Ų138145.7 Ų145.774%0.73877%0.771SS**  36.8103.2106.2-91.64.7000117.8
252K32.4Very low28.6Very low172 Ų172145.5 Ų145.575%0.74877%0.765SS**  155.8134.3110.3-88.2160.5-174175.10113.6
253N29.5Very low28.6Very low134 Ų134146.1 Ų146.172%0.71777%0.769SS**  trans70.3107.1143.8-57.9-9.4000117.5
254E27.8Very low28.6Very low171 Ų171150.6 Ų150.680%0.79977%0.771SS**  72.912686.8-125.4-177.1-160.100112.6
255I29.3Very low28.4Very low138 Ų138149.9 Ų149.971%0.70877%0.768SS**  trans135.899.4144.1-68.3157000113.5
256N26.6Very low28.1Very low136 Ų136148.3 Ų148.373%0.72777%0.765SS**  72.1118.6129.5-62.9-15.9000123.2
257Q27.3Very low28.3Very low171 Ų171150.3 Ų150.380%0.79977%0.768SS**  104.8127.4122.5-87.6-1794.200119.6
258P28.8Very low27.9Very low110 Ų110149.6 Ų149.671%0.71476%0.763SS**  trans-96149.7174.237.9-30.6000111.4
259Y26.1Very low27.7Very low222 Ų222146.3 Ų146.387%0.87176%0.756SS**  trans-159.2134.8156.1-107.8-77.3000113.7
260S25.7Very low27.5Very low98 Ų98148 Ų14869%0.68577%0.766SS**  trans-37.8154.2171.1-43.10000119.2
261R29Very low27.4Very low234 Ų234144.7 Ų144.788%0.88377%0.765SS**  175.7144.1101.9-97.9177.5178172.70.4114.1
262E25.4Very low27.4Very low171 Ų171143.5 Ų143.580%0.79977%0.767SS**  trans-58.9159.7172.7-56.8132.514500113
263V30.7Very low27.2Very low139 Ų139143 Ų14384%0.84277%0.771SS**  -166.1135.8123.6168.40000109.8
264Q26.1Very low27Very low162 Ų162140.5 Ų140.576%0.75776%0.764SS**  trans-65.9157.3-179.6-58.1154.1-42.900114.3
265N27.7Very low26.9Very low141 Ų141138.8 Ų138.875%0.75476%0.761SS**  172.4130.5108.2-85.1-28.9000114.3
266T23.5Very low27Very low119 Ų119140 Ų14073%0.7377%0.767SS**  trans-47.6150.7162.134.80000115.9
267L28.4Very low27Very low169 Ų169140.2 Ų140.289%0.88577%0.768SS**  -178.4156.9114.9-106.2125.5000113.2
268S23.6Very low26.9Very low93 Ų93138.1 Ų138.165%0.6576%0.762SS**  trans-92.9-175.9-157.749.30000116.8
269T26.6Very low27Very low112 Ų112139.3 Ų139.369%0.68776%0.763SS**  trans113.1101.2132.320000120.1
270T23.9Very low26.9Very low139 Ų139136.1 Ų136.185%0.85376%0.756SS**  55.5140.6125.861.70000125.9
271G29.4Very low27Very low69 Ų69138.8 Ų138.871%0.71176%0.757SS**  trans12893.7144.300000114
272S27Very low26.7Very low114 Ų114134.3 Ų134.380%0.79775%0.751SS**  72.7139.974.9-61.70000117.2
273I28.4Very low26.8Very low162 Ų162135.5 Ų135.583%0.83175%0.753SS**  trans84.4138.2158.8-49.1179.5000116.1
274S26.1Very low26.3Very low81 Ų81134.7 Ų134.757%0.56675%0.748SS**  cis-174.9166.4-24.966.10000107.3
275D25.8Very low26.2Very low135 Ų135136.1 Ų136.172%0.72275%0.752SS**  trans59.9125.8148.1-49.2-35.4000123.2
276L31.7Very low25.9Very low162 Ų162134 Ų13485%0.84875%0.748SS**  155.793.4125.9-85.5148.6000109.4
277L25.6Very low25.9Very low142 Ų142137 Ų13774%0.74375%0.752SS**  51.8118.689.1-81.3164000116.1
278N25.6Very low25.6Very low127 Ų127136.7 Ų136.768%0.67975%0.746SS**  trans103.8133.9131.4-72.9-14.3000122.4
279N29.9Very low25.6Very low135 Ų135139.2 Ų139.272%0.72275%0.752SS**  trans86.2104.6149.4-62.7-10.6000117.2
280E25.1Very low25.4Very low154 Ų154138 Ų13872%0.7275%0.748SS**  63.9109.682.3-76.7-142.9167.200113.4
281H28.2Very low25.4Very low155 Ų155138.6 Ų138.672%0.71875%0.745SS**  163.6121113.1-86.8-35000112.6
282N23Very low25.1Very low140 Ų140142.7 Ų142.775%0.74975%0.75SS**  trans24.2119.5130.1-65.7-34.1000118.8
283K25.7Very low25.1Very low195 Ų195139.7 Ų139.785%0.84874%0.738SS**  170.2121.3109.8-99.3170.6175.3172.30112.5
284V21.5Very low24.9Very low123 Ų123139.3 Ų139.375%0.74574%0.737SS**  4.2121.1129.5-178.60000114.4
285F23.2Very low24.8Very low192 Ų192140.7 Ų140.784%0.84274%0.737SS**  trans-172.3122.2133.6-109.1-75.3000112
286S21.3Very low24.8Very low96 Ų96142.6 Ų142.667%0.67174%0.739SS**  trans-53142.3161.452.80000113.5
287K23.8Very low24.4Very low183 Ų183141.6 Ų141.680%0.79673%0.731SS**  trans-179.8114.8144.1-103.7164.9178.7-178.80108.6
288Q23.1Very low24.3Very low162 Ų162142.4 Ų142.476%0.75773%0.728SS**  53.6116.997.3-85.3-176.3-19.800113.6
289N23.7Very low24.2Very low146 Ų146143 Ų14378%0.78173%0.731SS**  trans166.7107.2132.7-83.5-19.2000108
290S22.4Very low23.9Very low87 Ų87144.4 Ų144.461%0.60873%0.734SS**  82147.471.472.60000113.1
291L23.6Very low23.8Very low150 Ų150145.3 Ų145.379%0.78574%0.738SS**  trans85.2139.5166.2-58137.5000116.2
292N22.4Very low23.6Very low155 Ų155146.5 Ų146.583%0.82975%0.749SS**  cis175.8155.5-21.3-127.2-2.3000104.2
293G27Very low23.5Very low52 Ų52150.7 Ų150.754%0.53675%0.754SS.*  trans123.2102.7156.500000113.5
294N24.7Very low23.3Very low153 Ų153146.1 Ų146.182%0.81875%0.747SS**  100.5135.386.2-80.7-3.5000109.2
295I23.4Very low23.3Very low111 Ų111149.7 Ų149.757%0.56975%0.747SS**  cis172.7161.33.5-116.4169.8000106.6
296F26Very low23.3Very low174 Ų174147.7 Ų147.776%0.76374%0.74SS**  trans76.5116.7168.2-58.7-50.7000118.8
297Q23.4Very low23.3Very low142 Ų142147.8 Ų147.866%0.66474%0.74SS**  cis92.4140.338.9-162.7179.2-4.200113.7
298F24.1Very low23.2Very low159 Ų159143.7 Ų143.770%0.69774%0.735SS**  trans94.9134.1167.8-65.2-79.5000116.9
299D22.9Very low23.1Very low139 Ų139143.4 Ų143.474%0.74374%0.739SS**  cis-164.5163.2-12.7-151.2-12.4000108.6
300E23.4Very low23Very low165 Ų165142.1 Ų142.177%0.77174%0.74SS**  trans-70.9171.1175.2-120.3177163.600113
301Q23Very low23Very low173 Ų173148.7 Ų148.781%0.80875%0.753SS**  trans89.199.8167-47.8-179.116.900116.9
302L24.8Very low22.9Very low179 Ų179148.1 Ų148.194%0.93776%0.755SS**  -166.3121.3110.9-97.8156.8000111
303R20.5Very low23Very low229 Ų229149.8 Ų149.886%0.86476%0.758SS**  trans-66.8144.9177.3-79.5174.1168.3-143.70111.7
304S22Very low22.8Very low99 Ų99150.4 Ų150.469%0.69276%0.764SS**  76.2141.9129730000121
305R21.9Very low22.9Very low197 Ų197150.4 Ų150.474%0.74377%0.765SS**  trans92.7109.4156.3-61.6174.888.3151.72.3114.8
306E22Very low23Very low150 Ų150154.4 Ų154.470%0.70178%0.778SS**  84.7130.8113.7-71167.9-154.400108.6
307S21.5Very low23Very low98 Ų98150.1 Ų150.169%0.68576%0.763SS**  cis179.61453.934.40000103.1
308S21.3Very low23.2Very low98 Ų98148.5 Ų148.569%0.68576%0.758SS**  trans42.1107155.459.30000118.3
309D21.9Very low23.4Very low155 Ų155144.2 Ų144.283%0.82974%0.741SS**  -161.9131.8124.5-95.5-25.2000111.8
310C20.2Very low23.6Very low120 Ų120144.8 Ų144.881%0.81173%0.734SS**  trans-69.8127.4-179.9-650000110.1
311Y23.4Very low23.7Very low225 Ų225142.3 Ų142.388%0.88273%0.726SS**  trans-124.6125159.1-92.3-86.6000111.3
312V21.9Very low24Very low137 Ų137139.7 Ų139.783%0.8372%0.717SS**  trans-82.6117.9-177.2172.10000108
313E24.7Very low24Very low190 Ų190138.9 Ų138.989%0.88871%0.706SS**  trans-115.8105.7170.8-140.2164.5-157.100109.5N315E313-N315 PolarHBondContact O-N 3.04Å
314G22.7Very low24.3Very low65 Ų65135.7 Ų135.767%0.6771%0.706SS**  trans-75.6110.5-170.600000113K316G314-K316 PolarHBondContact O-N 2.61Å
315N26.4Very low24.5Very low154 Ų154138.8 Ų138.882%0.82472%0.715SS**  trans-68.897.5166.5-84-23.3000110.7E313 N317E313-N315 PolarHBondContact O-N 3.04Å; N315-N317 PolarHBondContact O-N 3.08Å
316K25.8Very low24.7Very low195 Ų195133.4 Ų133.485%0.84871%0.712SS**  trans-67.4107.2165.2-75-179.6177.9176.50109G314 I318G314-K316 PolarHBondContact O-N 2.61Å; K316-I318 PolarHBondContact O-N 3.11Å
317N26.2Very low24.9Very low83 Ų83134.5 Ų134.544%0.44472%0.718SS.*  trans-71.7103.8167.9-70.5-42.6000108.9N315N315-N317 PolarHBondContact O-N 3.08Å
318I27.1Very low24.9Very low109 Ų109137.1 Ų137.156%0.55972%0.723SS**  trans-85.3121175.4-58.7172000108.1K316 Y320K316-I318 PolarHBondContact O-N 3.11Å; I318-Y320 HydrophobicContact CG2-CD2 4.13Å; I318-Y320 HydrophobicContact CG2-CE1 4.33Å; I318-Y320 HydrophobicContact CG2-CE2 3.71Å
319I27.2Very low25.2Very low69 Ų69140.4 Ų140.435%0.35473%0.732SS.*  trans-105124.7167.6-66.2168.9000105.4E3 M4E3-I319 HydrophobicContact CB-CD1 3.69Å; E3-I319 HydrophobicContact CG-CD1 4.34Å; M4-I319 HydrophobicContact CG-CD1 4.4Å
320Y27.9Very low25.3Very low150 Ų150141.8 Ų141.859%0.58873%0.731SS**  trans-89.8107.1168.8-69.3-82.2000107.7I318 I322I318-Y320 HydrophobicContact CG2-CD2 4.13Å; I318-Y320 HydrophobicContact CG2-CE1 4.33Å; I318-Y320 HydrophobicContact CG2-CE2 3.71Å; Y320-I322 HydrophobicContact CD1-CD1 4.33Å
321D26.4Very low25.6Very low113 Ų113143.5 Ų143.560%0.60473%0.727SS**  trans-111.194.8167.7-147-1.8000105.6
322I27.5Very low25.7Very low119 Ų119140.1 Ų140.161%0.6172%0.716SS**  trans-109.363.1-177.8-47.8176.5000107.9Y320Y320-I322 HydrophobicContact CD1-CD1 4.33Å
323F26.2Very low25.9Very low161 Ų161139 Ų13971%0.70671%0.71SS**SBendtrans-142.265.4163.2-82.6-78.3000107.3
324N26.7Very low26Very low163 Ų163136.4 Ų136.487%0.87270%0.702SS**  trans-179.569.4160.2-90.4-27.3000110.7
325D25.7Very low26.1Very low163 Ų163137.7 Ų137.787%0.87270%0.701SS**  trans-144.2126.1156.5-79.7-37.6000103.3
326A26.3Very low25.9Very low84 Ų84137 Ų13769%0.69470%0.697SS**  cis-151.7129.54.600000105
327E25.2Very low26Very low174 Ų174139.2 Ų139.281%0.81370%0.702SS**  61.195.694.5-130.3174.5-164.600113.8L329E327-L329 PolarHBondContact O-N 3.06Å
328L23.2Very low25.9Very low153 Ų153142.5 Ų142.580%0.80172%0.718SS**  30.383.1124.6-94.2143.1000116.2
329L26.3Very low25.8Very low167 Ų167143 Ų14387%0.87473%0.727SS**  trans-122.782.8149.5-80.2168.1000109.1E327E327-L329 PolarHBondContact O-N 3.06Å
330K23.7Very low25.7Very low184 Ų184144.1 Ų144.180%0.874%0.741SS**  trans-69.8121.9147.5-82.6179.5174.7177.80106.8
331E26.7Very low25.6Very low155 Ų155143 Ų14372%0.72475%0.745SS**  trans156139153.8-92.6-17015000105.7
332K26.1Very low25.5Very low154 Ų154145.9 Ų145.967%0.6775%0.754SS**  cis-177.7146.9-7.8-125.9173.6-170.1152.80102.2
333T25.1Very low25.5Very low113 Ų113148.4 Ų148.469%0.69376%0.764SS**  trans58.3128148510000117.9
334D26.8Very low25.4Very low136 Ų136150.2 Ų150.273%0.72777%0.774SS**  cis-166.3131.134.6-88.1-34.2000108.6
335S25Very low25.4Very low93 Ų93149.9 Ų149.965%0.6577%0.771SS**  79.8116.2109.1870000117.5
336N23.9Very low25.4Very low139 Ų139149.6 Ų149.674%0.74377%0.769SS**  trans65.1104.9139.4-57.6-19.4000119.2
337Y26.9Very low25.7Very low241 Ų241149.9 Ų149.995%0.94576%0.762SS**  -155.2119.1118.7-89.6-73.6000109.5
338I23.6Very low25.9Very low152 Ų152147.5 Ų147.578%0.77975%0.749SS**  trans-87131.5166-63.9167.3000106.2
339T26Very low26.3Very low121 Ų121142.8 Ų142.874%0.74273%0.729SS**  163.8121.5123.5430000111.7
340S24.3Very low26.9Very low92 Ų92139.7 Ų139.764%0.64371%0.709SS**  trans60.8130.3138.6650000121.8
341D25.1Very low27.4Very low127 Ų127135.3 Ų135.368%0.67969%0.693SS**  trans107.2112.5141-61.1-21.2000119.1
342H26Very low27.9Very low173 Ų173132.6 Ų132.680%0.80169%0.691SS**  trans55.5117.9141.7-54.9-57.4000116.9
343E26.8Very low28.5Very low172 Ų172131 Ų13180%0.80468%0.682SS**  cis-163.9131.847.6-84.7170.1141.700108.3
344Q24.7Very low29Very low199 Ų199133.6 Ų133.693%0.9368%0.684SS**  trans-109.198161.2-88.6-176.7-6.800107.6
345I26.7Very low30Very low156 Ų156128.6 Ų128.680%0.866%0.658SS**  trans-132.8101.5164.4-57.2178.6000107.8
346N25.5Very low30.9Very low157 Ų157134.2 Ų134.284%0.8467%0.674SS**  trans-135149.5166.6-160.1-9.3000108.3
347V31.5Very low32.2Very low90 Ų90132.9 Ų132.955%0.54567%0.671SS.*  trans96.789179.4-158.90000116R364V347-R364 VanDerWaalsContact CG1-NH2 3.33Å
348K29.8Very low32.8Very low124 Ų124124 Ų12454%0.53965%0.653SS.*  trans-52128.4168.6-69.2162.2168153.70113.4E212 F350E212-K348 HydrophobicContact CG-CD 4.03Å; E212-K348 WeakPolarHBondContact OE2-CE 3.39Å; E212-K348 IonicContact OE2-NZ 2.89Å; E212-K348 PolarHBondContact OE2-NZ 3.16Å; K348-F350 HydrophobicContact CB-CD2 4.1Å; K348-F350 HydrophobicContact CB-CE2 3.4Å; K348-F350 HydrophobicContact CB-CZ 4.06Å; K348-F350 HydrophobicContact CD-CE2 4.21Å; K348-F350 HydrophobicContact CD-CZ 4.13Å; K348-F350 HydrophobicContact CG-CE2 4.34Å
349S31.5Very low33.4Very low53 Ų53120 Ų12037%0.37163%0.631SS.*  trans-107.6139.8168.937.80000109.8V363S349-V363 WeakPolarHBondContact CB-O 3.26Å
350F39.5Very low33.9Very low103 Ų103117.2 Ų117.245%0.45262%0.62SS.*  trans-120.918.5-156.3-86.6-86.5000116.8P209 K348 V363P209-F350 HydrophobicContact CB-CD1 3.99Å; P209-F350 HydrophobicContact CB-CE1 3.57Å; P209-F350 HydrophobicContact CB-CE2 4.13Å; P209-F350 HydrophobicContact CB-CG 4.44Å; P209-F350 HydrophobicContact CB-CZ 3.64Å; P209-F350 HydrophobicContact CG-CD1 4.01Å; P209-F350 HydrophobicContact CG-CD2 3.65Å; P209-F350 HydrophobicContact CG-CE1 3.65Å; P209-F350 HydrophobicContact CG-CE2 3.24Å; P209-F350 HydrophobicContact CG-CG 4.01Å; P209-F350 HydrophobicContact CG-CZ 3.24Å; K348-F350 HydrophobicContact CB-CD2 4.1Å; K348-F350 HydrophobicContact CB-CE2 3.4Å; K348-F350 HydrophobicContact CB-CZ 4.06Å; K348-F350 HydrophobicContact CD-CE2 4.21Å; K348-F350 HydrophobicContact CD-CZ 4.13Å; K348-F350 HydrophobicContact CG-CE2 4.34Å; F350-V363 PolarHBondContact N-O 3.37Å
351L33.9Very low34.6Very low92 Ų92115.9 Ų115.948%0.48261%0.605SS.*EExtended strand (participates in β ladder)trans-129.5105.3162-135.697.3000109.5A362 V363 L365L351-A362 CarbonylContact O-C 3.59Å; L351-A362 WeakPolarHBondContact O-CA 3.43Å; L351-V363 HydrophobicContact CB-CB 4.13Å; L351-V363 PolarHBondContact N-O 3.37Å; L351-V363 PolarHBondContact O-N 3.1Å; L351-L365 HydrophobicContact CD1-CD1 4.41Å
352S37.2Very low35Very low98 Ų98112.5 Ų112.569%0.68560%0.595SS**EExtended strand (participates in β ladder)trans-103123.2169.168.70000109.6I361S352-I361 VanDerWaalsContact CA-O 3.25Å; S352-I361 WeakPolarHBondContact CA-O 3.43Å
353Y38.3Very low35.6Very low120 Ų120105.1 Ų105.147%0.47156%0.562SS.*EExtended strand (participates in β ladder)trans-116.8147.1164.781.7-85.8000109.7T355 A360 I361Y353-T355 HydrophobicContact CE2-CG2 3.83Å; Y353-A360 WeakPolarHBondContact O-CA 3.29Å; Y353-I361 HydrophobicContact CD1-CB 4.1Å; Y353-I361 HydrophobicContact CD1-CG2 4.43Å; Y353-I361 HydrophobicContact CE1-CB 3.74Å; Y353-I361 HydrophobicContact CE1-CD1 4Å; Y353-I361 HydrophobicContact CE1-CG1 4.45Å; Y353-I361 HydrophobicContact CE1-CG2 3.85Å; Y353-I361 HydrophobicContact CE2-CD1 4.25Å; Y353-I361 PolarHBondContact N-O 3.23Å; Y353-I361 PolarHBondContact O-N 3.45Å; Y353-I361 VanDerWaalsContact OH-CD1 3.27Å; Y353-I361 WeakPolarHBondContact OH-CD1 3.1Å
354K35.6Very low36.1Very low167 Ų167102.4 Ų102.473%0.72655%0.545SS*.EExtended strand (participates in β ladder)trans-93.1126.6172-72.8-176.8177.9-178.40108.4E359 A360K354-E359 WeakPolarHBondContact CA-O 3.22Å; K354-A360 HydrophobicContact CG-CB 4.32Å
355T47.1Very low36.8Very low32 Ų3296.9 Ų96.920%0.19652%0.521CS..  trans-66.1163.8168.459.10000110.1Y353 T357 G358 E359 I361Y353-T355 HydrophobicContact CE2-CG2 3.83Å; T355-T357 PolarHBondContact O-N 3.17Å; T355-T357 VanDerWaalsContact O-N 3.12Å; T355-T357 PolarHBondContact OG1-N 3.01Å; T355-T357 PolarHBondContact OG1-OG1 3.13Å; T355-G358 PolarHBondContact O-N 2.69Å; T355-E359 PolarHBondContact N-O 3.03Å; T355-E359 WeakPolarHBondContact OG1-CB 3.45Å; T355-E359 PolarHBondContact OG1-N 2.77Å; T355-E359 VanDerWaalsContact OG1-N 3.1Å; T355-E359 PolarHBondContact OG1-O 3.07Å; T355-I361 HydrophobicContact CG2-CD1 3.5Å; T355-I361 VanDerWaalsContact CG2-CD1 3.5Å; T355-I361 HydrophobicContact CG2-CG1 4.25Å
356E43.9Very low37.7Very low211 Ų21192.4 Ų92.499%0.98650%0.504SS*.THydrogen-bonded Turntrans-58.4-21.2170.5-63.2-175.7169.100112.5G358E356-G358 VanDerWaalsContact C-N 3.29Å
357T52.6Low38.7Very low110 Ų11090.5 Ų90.568%0.67549%0.49SS*.THydrogen-bonded Turntrans-82.4-0.7174.755.70000113.9T355 E359T355-T357 PolarHBondContact O-N 3.17Å; T355-T357 VanDerWaalsContact O-N 3.12Å; T355-T357 PolarHBondContact OG1-N 3.01Å; T355-T357 PolarHBondContact OG1-OG1 3.13Å; T357-E359 VanDerWaalsContact C-N 3.31Å
358G38.3Very low39.6Very low55 Ų5592 Ų9257%0.56749%0.494SS*.SBendtrans83.12.3179.100000114.8T355 E356T355-G358 PolarHBondContact O-N 2.69Å; E356-G358 VanDerWaalsContact C-N 3.29Å
359E36.9Very low40.8Very low69 Ų6992.5 Ų92.532%0.32249%0.492SS..  trans-77.9126.3177.4-62.3179.2145.800109.5K354 T355 T357K354-E359 WeakPolarHBondContact CA-O 3.22Å; T355-E359 PolarHBondContact N-O 3.03Å; T355-E359 WeakPolarHBondContact OG1-CB 3.45Å; T355-E359 PolarHBondContact OG1-N 2.77Å; T355-E359 VanDerWaalsContact OG1-N 3.1Å; T355-E359 PolarHBondContact OG1-O 3.07Å; T357-E359 VanDerWaalsContact C-N 3.31Å
360A35.7Very low42.1Very low62 Ų6293.8 Ų93.851%0.51250%0.495SS..EExtended strand (participates in β ladder)trans-86.3114174.900000109.1Y353 K354Y353-A360 WeakPolarHBondContact O-CA 3.29Å; K354-A360 HydrophobicContact CG-CB 4.32Å
361I40.1Very low43.2Very low63 Ų6390 Ų9032%0.32348%0.479SS..EExtended strand (participates in β ladder)trans-97.4117175-64.6168.8000107.8S352 Y353 T355 V363S352-I361 VanDerWaalsContact CA-O 3.25Å; S352-I361 WeakPolarHBondContact CA-O 3.43Å; Y353-I361 HydrophobicContact CD1-CB 4.1Å; Y353-I361 HydrophobicContact CD1-CG2 4.43Å; Y353-I361 HydrophobicContact CE1-CB 3.74Å; Y353-I361 HydrophobicContact CE1-CD1 4Å; Y353-I361 HydrophobicContact CE1-CG1 4.45Å; Y353-I361 HydrophobicContact CE1-CG2 3.85Å; Y353-I361 HydrophobicContact CE2-CD1 4.25Å; Y353-I361 PolarHBondContact N-O 3.23Å; Y353-I361 PolarHBondContact O-N 3.45Å; Y353-I361 VanDerWaalsContact OH-CD1 3.27Å; Y353-I361 WeakPolarHBondContact OH-CD1 3.1Å; T355-I361 HydrophobicContact CG2-CD1 3.5Å; T355-I361 VanDerWaalsContact CG2-CD1 3.5Å; T355-I361 HydrophobicContact CG2-CG1 4.25Å; I361-V363 HydrophobicContact CG2-CG2 4.32Å
362A34.2Very low44.7Very low57 Ų5787.7 Ų87.747%0.47147%0.47SS..EExtended strand (participates in β ladder)trans-95.9123.2174.200000110.6L351L351-A362 CarbonylContact O-C 3.59Å; L351-A362 WeakPolarHBondContact O-CA 3.43Å
363V37.3Very low46.1Very low18 Ų1883.2 Ų83.211%0.10944%0.438CS..EExtended strand (participates in β ladder)trans-104.4133.9-179.8-175.80000109.9S349 F350 L351 I361 L365 I405S349-V363 WeakPolarHBondContact CB-O 3.26Å; F350-V363 PolarHBondContact N-O 3.37Å; L351-V363 HydrophobicContact CB-CB 4.13Å; L351-V363 PolarHBondContact N-O 3.37Å; L351-V363 PolarHBondContact O-N 3.1Å; I361-V363 HydrophobicContact CG2-CG2 4.32Å; V363-L365 HydrophobicContact CG1-CD2 4.5Å; V363-I405 HydrophobicContact CG1-CD1 3.85Å; V363-I405 HydrophobicContact CG2-CD1 4.14Å
364R37.1Very low47.2Very low115 Ų11582.4 Ų82.443%0.43444%0.44SS..  trans-97.2104178.9-163.8176.5-173.1179.92.4109.6V347 S366V347-R364 VanDerWaalsContact CG1-NH2 3.33Å; R364-S366 PolarHBondContact O-N 3.28Å
365L39.5Very low48.5Very low83 Ų8381.3 Ų81.344%0.43544%0.437SS..  trans-75.3107.6-178.9-54.7172.3000110.9L351 V363 E459L351-L365 HydrophobicContact CD1-CD1 4.41Å; V363-L365 HydrophobicContact CG1-CD2 4.5Å; L365-E459 VanDerWaalsContact CA-OE1 3.3Å; L365-E459 WeakPolarHBondContact CA-OE1 3.47Å; L365-E459 HydrophobicContact CD2-CG 4.3Å; L365-E459 WeakPolarHBondContact CD2-OE1 3.06Å; L365-E459 WeakPolarHBondContact CD2-OE2 3.12Å
366S45.7Very low49.2Very low62 Ų6280.4 Ų80.443%0.43443%0.431SS..  trans-103.5-41.1-178.830.70000115.2R364 C460R364-S366 PolarHBondContact O-N 3.28Å; S366-C460 PolarHBondContact OG-O 3.37Å
367Q47.7Very low50.3Low117 Ų11775 Ų7555%0.54741%0.409SS..  trans-157.8133.9-177.6-64.3-173.4-20.600111.9E459 C460Q367-E459 WeakPolarHBondContact O-CA 3.17Å; Q367-C460 HydrophobicContact CB-CB 4.4Å; Q367-C460 PolarHBondContact O-N 3.43Å
368L49.3Very low51Low120 Ų12078.6 Ų78.663%0.62842%0.415SS*.EExtended strand (participates in β ladder)trans-98130.9171.6-79153000110.2I407 V457L368-I407 HydrophobicContact CD2-CD1 3.63Å; L368-V457 HydrophobicContact CD2-CG1 3.36Å
369R55.2Low52.5Low135 Ų13582.8 Ų82.851%0.50942%0.42SS..EExtended strand (participates in β ladder)trans-124.4132.4173-66.6-173.5-175.5174.73110.1I371 V457 Q458R369-I371 HydrophobicContact CB-CD1 4.26Å; R369-I371 HydrophobicContact CB-CG1 4.21Å; R369-V457 CarbonylContact O-C 3.54Å; R369-Q458 PolarHBondContact N-O 2.73Å; R369-Q458 PolarHBondContact O-N 2.75Å
370L58.4Low54Low81 Ų8180.3 Ų80.342%0.42441%0.409SS..EExtended strand (participates in β ladder)trans-80.7125.9162.9-107.791.7000108.6Y410 M455 K456 V457L370-Y410 HydrophobicContact CD1-CD2 3.92Å; L370-Y410 HydrophobicContact CD1-CE2 3.8Å; L370-Y410 HydrophobicContact CD2-CD1 4.46Å; L370-Y410 HydrophobicContact CD2-CD2 3.88Å; L370-Y410 HydrophobicContact CD2-CE2 4.42Å; L370-Y410 HydrophobicContact CD2-CG 3.91Å; L370-Y410 HydrophobicContact CG-CD2 4.14Å; L370-M455 HydrophobicContact CB-CE 4.31Å; L370-M455 HydrophobicContact CD2-CB 3.98Å; L370-M455 HydrophobicContact CD2-CE 3.84Å; L370-M455 HydrophobicContact CD2-SD 3.83Å; L370-K456 WeakPolarHBondContact CA-O 3.41Å; L370-V457 HydrophobicContact CD1-CG2 3.93Å; L370-V457 HydrophobicContact CG-CG2 4.21Å
371I63.6Low55.6Low22 Ų2280.1 Ų80.111%0.11340%0.397CS..EExtended strand (participates in β ladder)trans-126121.9-179.8-67.4170.7000108.2R369 E375 K456 Q458R369-I371 HydrophobicContact CB-CD1 4.26Å; R369-I371 HydrophobicContact CB-CG1 4.21Å; I371-E375 HydrophobicContact CG2-CB 3.88Å; I371-K456 HydrophobicContact CB-CG 4.09Å; I371-K456 PolarHBondContact N-O 3.24Å; I371-K456 WeakPolarHBondContact O-CG 3.22Å; I371-K456 PolarHBondContact O-N 2.82Å; I371-Q458 HydrophobicContact CD1-CB 3.75Å; I371-Q458 VanDerWaalsContact CD1-CD 3.47Å; I371-Q458 HydrophobicContact CD1-CG 4.15Å
372P65.7Low57Low45 Ų4582.4 Ų82.429%0.29241%0.406SS..EExtended strand (participates in β ladder)trans-56.8141.7171.4-17.327.3000110.6M374 E375 M455P372-M374 PolarHBondContact O-N 3.4Å; P372-E375 PolarHBondContact O-N 2.88Å; P372-M455 HydrophobicContact CG-CE 4.1Å
373L66.1Low58.6Low3 Ų383 Ų832%0.01640%0.401CS..G310 helixtrans-60.6-20.5178.4-83.3160.2000113.6E375 L376 L394 I450 Y451 D454L373-E375 PolarHBondContact O-N 2.99Å; L373-L376 HydrophobicContact CB-CD1 4.49Å; L373-L376 HydrophobicContact CD2-CD1 3.83Å; L373-L376 HydrophobicContact CG-CD1 4.46Å; L373-L376 PolarHBondContact O-N 3.48Å; L373-L376 VanDerWaalsContact O-N 3.12Å; L373-L394 HydrophobicContact CD2-CD1 3.9Å; L373-I450 HydrophobicContact CD1-CG2 3.21Å; L373-I450 HydrophobicContact CD2-CG2 4.07Å; L373-I450 HydrophobicContact CG-CG2 4.32Å; L373-Y451 WeakPolarHBondContact CD1-O 3.28Å; L373-D454 HydrophobicContact CD1-CB 3.76Å; L373-D454 WeakPolarHBondContact CD1-O 3Å; L373-D454 VanDerWaalsContact CG-O 3.31Å; L373-D454 WeakPolarHBondContact CG-O 3.38Å
374M61.1Low60Low104 Ų10482.1 Ų82.151%0.51240%0.396SS..G310 helixtrans-61.7-24.4175.2-58.4-55.9111.100113.6P372 H381 P452P372-M374 PolarHBondContact O-N 3.4Å; M374-H381 WeakPolarHBondContact CE-CD2 3.43Å; M374-H381 WeakPolarHBondContact CE-NE2 3.37Å; M374-H381 PolarHBondContact SD-CD2 3.31Å; M374-H381 PolarHBondContact SD-NE2 2.91Å; M374-P452 HydrophobicContact CE-CB 4.18Å; M374-P452 WeakPolarHBondContact CE-O 3.29Å
375E63.8Low61.6Low143 Ų14380.1 Ų80.167%0.66840%0.399SS*.G310 helixtrans-87.3-4.8178.3-69.1-176.3176.900112.9I371 P372 L373I371-E375 HydrophobicContact CG2-CB 3.88Å; P372-E375 PolarHBondContact O-N 2.88Å; L373-E375 PolarHBondContact O-N 2.99Å
376L61.4Low63.1Low13 Ų1381.3 Ų81.37%0.06840%0.403CS..SBendtrans-78.9162.9169.7-76.789.4000111.9L373 K378 L380 L394 K456L373-L376 HydrophobicContact CB-CD1 4.49Å; L373-L376 HydrophobicContact CD2-CD1 3.83Å; L373-L376 HydrophobicContact CG-CD1 4.46Å; L373-L376 PolarHBondContact O-N 3.48Å; L373-L376 VanDerWaalsContact O-N 3.12Å; L376-K378 PolarHBondContact O-N 2.97Å; L376-L380 HydrophobicContact CB-CB 4.39Å; L376-L380 HydrophobicContact CB-CD1 4.37Å; L376-L380 HydrophobicContact CD2-CD1 3.59Å; L376-L394 HydrophobicContact CD2-CD1 3.53Å; L376-K456 HydrophobicContact CD1-CD 3.68Å; L376-K456 HydrophobicContact CD1-CG 4.17Å; L376-K456 VanDerWaalsContact CD1-NZ 3.34Å; L376-K456 HydrophobicContact CD2-CD 4.22Å; L376-K456 HydrophobicContact CG-CD 4.33Å
377D66.6Low64Low99 Ų9985.1 Ų85.153%0.52941%0.412SS..  trans-40.2136.9172.4-160-10.2000112.5E379 L380 H381D377-E379 PolarHBondContact O-N 2.79Å; D377-E379 VanDerWaalsContact O-N 3.1Å; D377-L380 HydrophobicContact CB-CD1 4.39Å; D377-L380 PolarHBondContact O-N 3.26Å; D377-H381 PolarHBondContact O-N 2.86Å; D377-H381 VanDerWaalsContact O-N 3.11Å
378K68Low65Low184 Ų18482.7 Ų82.780%0.841%0.405SS*.Hα-helixtrans-58.5-29.6-174.1-67.9-178.5179.9177.90111.8L376 H382L376-K378 PolarHBondContact O-N 2.97Å; K378-H382 PolarHBondContact O-N 3.22Å
379E69.9Low66.1Low144 Ų14477.1 Ų77.167%0.67338%0.376SS*.Hα-helixtrans-66.9-44.5175.2-67-166.8166.200112.5D377 H381 H382 L383D377-E379 PolarHBondContact O-N 2.79Å; D377-E379 VanDerWaalsContact O-N 3.1Å; E379-H381 VanDerWaalsContact C-N 3.32Å; E379-H381 PolarHBondContact O-N 3.12Å; E379-H382 PolarHBondContact O-N 3.12Å; E379-L383 WeakPolarHBondContact O-CG 3.07Å; E379-L383 PolarHBondContact O-N 2.93Å
380L67.9Low67.3Low17 Ų1772.6 Ų72.69%0.08936%0.363CS..Hα-helixtrans-65.8-38.3177.2-71.5171000111.1L376 D377 H382 L383 A384 L389 A397L376-L380 HydrophobicContact CB-CB 4.39Å; L376-L380 HydrophobicContact CB-CD1 4.37Å; L376-L380 HydrophobicContact CD2-CD1 3.59Å; D377-L380 HydrophobicContact CB-CD1 4.39Å; D377-L380 PolarHBondContact O-N 3.26Å; L380-H382 VanDerWaalsContact C-N 3.35Å; L380-L383 PolarHBondContact O-N 3.31Å; L380-A384 WeakPolarHBondContact O-CB 3.43Å; L380-A384 PolarHBondContact O-N 3.09Å; L380-L389 HydrophobicContact CD2-CD1 3.71Å; L380-L389 HydrophobicContact CD2-CD2 4.19Å; L380-A397 HydrophobicContact CD1-CB 3.97Å; L380-A397 HydrophobicContact CD2-CB 3.77Å; L380-A397 HydrophobicContact CG-CB 4.4Å
381H68.2Low68.1Low58 Ų5869.7 Ų69.727%0.26935%0.347SS..Hα-helixtrans-62.2-41.6173.2-177-81.4000112M374 D377 E379 A384 S385M374-H381 WeakPolarHBondContact CE-CD2 3.43Å; M374-H381 WeakPolarHBondContact CE-NE2 3.37Å; M374-H381 PolarHBondContact SD-CD2 3.31Å; M374-H381 PolarHBondContact SD-NE2 2.91Å; D377-H381 PolarHBondContact O-N 2.86Å; D377-H381 VanDerWaalsContact O-N 3.11Å; E379-H381 VanDerWaalsContact C-N 3.32Å; E379-H381 PolarHBondContact O-N 3.12Å; H381-A384 PolarHBondContact O-N 3.28Å; H381-S385 WeakPolarHBondContact O-CB 3.33Å; H381-S385 PolarHBondContact O-N 3.35Å
382H71Confident68.5Low111 Ų11170.6 Ų70.651%0.51436%0.355SS..Hα-helixtrans-65-41.1177-16557.8000112.1K378 E379 L380 S385 Q386K378-H382 PolarHBondContact O-N 3.22Å; E379-H382 PolarHBondContact O-N 3.12Å; L380-H382 VanDerWaalsContact C-N 3.35Å; H382-S385 PolarHBondContact O-N 3.45Å; H382-Q386 PolarHBondContact NE2-NE2 2.97Å; H382-Q386 WeakPolarHBondContact O-CG 3.29Å; H382-Q386 PolarHBondContact O-N 2.93Å
383L67.8Low69Low68 Ų6873.1 Ų73.136%0.35636%0.363SS..Hα-helixtrans-67.2-36.6175.6-70.9165.1000112.7E379 L380 Q386 K387 T388 L389E379-L383 WeakPolarHBondContact O-CG 3.07Å; E379-L383 PolarHBondContact O-N 2.93Å; L380-L383 PolarHBondContact O-N 3.31Å; L383-Q386 PolarHBondContact O-N 3.16Å; L383-K387 PolarHBondContact O-N 3.22Å; L383-T388 WeakPolarHBondContact CD2-OG1 3.48Å; L383-T388 PolarHBondContact O-N 2.82Å; L383-T388 VanDerWaalsContact O-N 3.09Å; L383-T388 PolarHBondContact O-OG1 2.78Å; L383-T388 VanDerWaalsContact O-OG1 3.13Å; L383-L389 HydrophobicContact CB-CB 4.08Å; L383-L389 HydrophobicContact CB-CD1 4.25Å; L383-L389 HydrophobicContact CD1-CD1 4.47Å; L383-L389 PolarHBondContact O-N 3.31Å
384A67Low69.5Low1 Ų173 Ų731%0.00836%0.363CS..Hα-helixtrans-66.7-39.9173.200000111.4L380 H381 Q386 K387 L389 I450L380-A384 WeakPolarHBondContact O-CB 3.43Å; L380-A384 PolarHBondContact O-N 3.09Å; H381-A384 PolarHBondContact O-N 3.28Å; A384-Q386 VanDerWaalsContact C-N 3.31Å; A384-Q386 PolarHBondContact O-N 3.02Å; A384-K387 PolarHBondContact O-N 2.88Å; A384-K387 VanDerWaalsContact O-N 3.09Å; A384-L389 HydrophobicContact CB-CD2 4.16Å; A384-I450 HydrophobicContact CB-CG2 4.32Å
385S68.7Low70Confident72 Ų7271 Ų7150%0.50335%0.351SS..Hα-helixtrans-64.4-33.9175.1-174.70000112.6H381 H382 K387H381-S385 WeakPolarHBondContact O-CB 3.33Å; H381-S385 PolarHBondContact O-N 3.35Å; H382-S385 PolarHBondContact O-N 3.45Å; S385-K387 VanDerWaalsContact C-N 3.26Å; S385-K387 PolarHBondContact O-N 3.31Å
386Q72.2Confident70.3Confident109 Ų10969.6 Ų69.651%0.50935%0.345SS..THydrogen-bonded Turntrans-79.90.9174.1-67.9-174.72.400114.1H382 L383 A384 T388H382-Q386 PolarHBondContact NE2-NE2 2.97Å; H382-Q386 WeakPolarHBondContact O-CG 3.29Å; H382-Q386 PolarHBondContact O-N 2.93Å; L383-Q386 PolarHBondContact O-N 3.16Å; A384-Q386 VanDerWaalsContact C-N 3.31Å; A384-Q386 PolarHBondContact O-N 3.02Å; Q386-T388 HydrophobicContact CB-CG2 4.23Å; Q386-T388 PolarHBondContact O-N 2.84Å
387K65.4Low70.8Confident141 Ų14170.5 Ų70.561%0.61335%0.354SS*.THydrogen-bonded Turntrans56.621.3-174.3-58.7-176179.1-177.60114.5L383 A384 S385 Y451L383-K387 PolarHBondContact O-N 3.22Å; A384-K387 PolarHBondContact O-N 2.88Å; A384-K387 VanDerWaalsContact O-N 3.09Å; S385-K387 VanDerWaalsContact C-N 3.26Å; S385-K387 PolarHBondContact O-N 3.31Å; K387-Y451 HydrophobicContact CD-CE1 4.31Å
388T68.2Low70.9Confident67 Ų6766 Ų6641%0.41133%0.329SS..  trans-93.5-14.9-179.952.30000112.8L383 Q386 T390 Q393L383-T388 WeakPolarHBondContact CD2-OG1 3.48Å; L383-T388 PolarHBondContact O-N 2.82Å; L383-T388 VanDerWaalsContact O-N 3.09Å; L383-T388 PolarHBondContact O-OG1 2.78Å; L383-T388 VanDerWaalsContact O-OG1 3.13Å; Q386-T388 HydrophobicContact CB-CG2 4.23Å; Q386-T388 PolarHBondContact O-N 2.84Å; T388-T390 PolarHBondContact O-N 3.49Å; T388-Q393 PolarHBondContact O-OE1 3.48Å
389L72.8Confident70.9Confident2 Ų260.5 Ų60.51%0.0131%0.309CS..  trans-80114.9-177.2-167.270.3000111.5L380 L383 A384 Q393 L394 I450L380-L389 HydrophobicContact CD2-CD1 3.71Å; L380-L389 HydrophobicContact CD2-CD2 4.19Å; L383-L389 HydrophobicContact CB-CB 4.08Å; L383-L389 HydrophobicContact CB-CD1 4.25Å; L383-L389 HydrophobicContact CD1-CD1 4.47Å; L383-L389 PolarHBondContact O-N 3.31Å; A384-L389 HydrophobicContact CB-CD2 4.16Å; L389-Q393 HydrophobicContact CD1-CB 3.82Å; L389-L394 HydrophobicContact CD2-CB 4.24Å; L389-L394 HydrophobicContact CD2-CD1 3.86Å; L389-L394 HydrophobicContact CG-CB 4.43Å; L389-I450 HydrophobicContact CD2-CB 4.42Å; L389-I450 HydrophobicContact CD2-CD1 3.86Å; L389-I450 HydrophobicContact CD2-CG2 4.48Å; L389-I450 HydrophobicContact CG-CD1 3.98Å; L389-I450 PolarHBondContact O-N 3.14Å
390T78.6Confident70.8Confident41 Ų4158 Ų5825%0.25231%0.312SS..BIsolated β-bridgetrans-89.1157.1169.561.90000111T388 S392 Q393 L394 T448T388-T390 PolarHBondContact O-N 3.49Å; T390-S392 PolarHBondContact O-N 3.29Å; T390-Q393 WeakPolarHBondContact O-CB 3.48Å; T390-Q393 PolarHBondContact O-N 3.26Å; T390-Q393 WeakPolarHBondContact OG1-CG 3.35Å; T390-Q393 PolarHBondContact OG1-N 2.72Å; T390-L394 PolarHBondContact O-N 3.21Å; T390-T448 CarbonylContact C-O 3.56Å; T390-T448 WeakPolarHBondContact CA-O 3.36Å
391F76.1Confident70.6Confident19 Ų1960.7 Ų60.78%0.08333%0.333CS..Hα-helixtrans-57.7-36.6176.6-175.3-103.2000112.9Q393 L394 F395 S406 L409 P444 T448F391-Q393 VanDerWaalsContact C-N 3.34Å; F391-Q393 PolarHBondContact O-N 3.39Å; F391-L394 HydrophobicContact CD2-CD2 4.23Å; F391-L394 HydrophobicContact CE2-CD2 4.39Å; F391-L394 PolarHBondContact O-N 2.73Å; F391-F395 HydrophobicContact CE1-CB 4.42Å; F391-F395 HydrophobicContact CE1-CD2 4.19Å; F391-F395 HydrophobicContact CZ-CD2 4.42Å; F391-F395 WeakPolarHBondContact O-CB 3.45Å; F391-F395 PolarHBondContact O-N 3Å; F391-S406 WeakPolarHBondContact CZ-O 3.26Å; F391-L409 HydrophobicContact CD2-CD1 3.98Å; F391-L409 HydrophobicContact CD2-CD2 4.4Å; F391-L409 HydrophobicContact CD2-CG 4.05Å; F391-L409 HydrophobicContact CE2-CG 4.22Å; F391-P444 HydrophobicContact CB-CB 3.9Å; F391-P444 HydrophobicContact CB-CG 3.98Å; F391-P444 HydrophobicContact CD1-CB 4.16Å; F391-P444 HydrophobicContact CD1-CG 3.5Å; F391-P444 HydrophobicContact CD2-CB 4.02Å; F391-P444 HydrophobicContact CD2-CG 3.21Å; F391-P444 HydrophobicContact CE1-CG 3.63Å; F391-P444 HydrophobicContact CE2-CG 3.34Å; F391-P444 HydrophobicContact CG-CB 3.76Å; F391-P444 HydrophobicContact CG-CG 3.26Å; F391-P444 HydrophobicContact CZ-CG 3.53Å; F391-T448 PolarHBondContact N-O 3.18Å
392S72.6Confident70.5Confident41 Ų4161.3 Ų61.329%0.28734%0.34SS..Hα-helixtrans-59.2-43.2173.8176.70000112.3T390 F395 H396 P446T390-S392 PolarHBondContact O-N 3.29Å; S392-F395 PolarHBondContact O-N 3.06Å; S392-H396 WeakPolarHBondContact O-CB 3.5Å; S392-H396 PolarHBondContact O-CD2 2.75Å; S392-H396 PolarHBondContact O-N 3.49Å; S392-P446 VanDerWaalsContact CB-O 3.32Å; S392-P446 WeakPolarHBondContact CB-O 3.34Å; S392-P446 PolarHBondContact N-O 3.06Å
393Q76.5Confident70Confident98 Ų9856.5 Ų56.546%0.45832%0.321SS..Hα-helixtrans-67-42.2177.4-70.8172.1-11.800111.9T388 L389 T390 F391 A397T388-Q393 PolarHBondContact O-OE1 3.48Å; L389-Q393 HydrophobicContact CD1-CB 3.82Å; T390-Q393 WeakPolarHBondContact O-CB 3.48Å; T390-Q393 PolarHBondContact O-N 3.26Å; T390-Q393 WeakPolarHBondContact OG1-CG 3.35Å; T390-Q393 PolarHBondContact OG1-N 2.72Å; F391-Q393 VanDerWaalsContact C-N 3.34Å; F391-Q393 PolarHBondContact O-N 3.39Å; Q393-A397 WeakPolarHBondContact O-CB 3.34Å; Q393-A397 PolarHBondContact O-N 2.79Å
394L75.3Confident69.7Low0 Ų053.9 Ų53.90%031%0.308CS..Hα-helixtrans-61.3-45.5173.4-177.987000111.2L373 L376 L389 T390 F391 A397 Q398 L409 I450 K456L373-L394 HydrophobicContact CD2-CD1 3.9Å; L376-L394 HydrophobicContact CD2-CD1 3.53Å; L389-L394 HydrophobicContact CD2-CB 4.24Å; L389-L394 HydrophobicContact CD2-CD1 3.86Å; L389-L394 HydrophobicContact CG-CB 4.43Å; T390-L394 PolarHBondContact O-N 3.21Å; F391-L394 HydrophobicContact CD2-CD2 4.23Å; F391-L394 HydrophobicContact CE2-CD2 4.39Å; F391-L394 PolarHBondContact O-N 2.73Å; L394-A397 PolarHBondContact O-N 3.21Å; L394-Q398 VanDerWaalsContact O-CB 3.22Å; L394-Q398 WeakPolarHBondContact O-CB 3.27Å; L394-Q398 PolarHBondContact O-N 3.13Å; L394-L409 HydrophobicContact CD2-CD2 4.34Å; L394-I450 HydrophobicContact CB-CD1 3.33Å; L394-I450 HydrophobicContact CD1-CD1 4.13Å; L394-I450 HydrophobicContact CD2-CD1 3.55Å; L394-I450 HydrophobicContact CG-CD1 3.84Å; L394-K456 HydrophobicContact CD2-CB 4.49Å
395F71Confident69.6Low63 Ų6355.3 Ų55.328%0.27632%0.315SS..Hα-helixtrans-59-49.8179.6-178.2-86.6000110.8F391 S392 Q398 L399 I405 S406F391-F395 HydrophobicContact CE1-CB 4.42Å; F391-F395 HydrophobicContact CE1-CD2 4.19Å; F391-F395 HydrophobicContact CZ-CD2 4.42Å; F391-F395 WeakPolarHBondContact O-CB 3.45Å; F391-F395 PolarHBondContact O-N 3Å; S392-F395 PolarHBondContact O-N 3.06Å; F395-Q398 PolarHBondContact O-N 3.02Å; F395-L399 HydrophobicContact CE1-CD2 4.3Å; F395-L399 VanDerWaalsContact O-CB 3.22Å; F395-L399 WeakPolarHBondContact O-CB 3.46Å; F395-L399 PolarHBondContact O-N 3.47Å; F395-I405 HydrophobicContact CE2-CG2 3.59Å; F395-I405 HydrophobicContact CZ-CG2 4.11Å; F395-S406 WeakPolarHBondContact CD2-O 3.49Å
396H71.2Confident69.4Low114 Ų11451.9 Ų51.953%0.52829%0.291SS..Hα-helixtrans-65.7-41.8177-78.3-63.8000112.7S392 L399 A400S392-H396 WeakPolarHBondContact O-CB 3.5Å; S392-H396 PolarHBondContact O-CD2 2.75Å; S392-H396 PolarHBondContact O-N 3.49Å; H396-L399 PolarHBondContact O-N 3.32Å; H396-A400 VanDerWaalsContact O-CB 3.25Å; H396-A400 WeakPolarHBondContact O-CB 3.32Å; H396-A400 PolarHBondContact O-N 3.13Å
397A71.2Confident69Low31 Ų3149.3 Ų49.326%0.25628%0.281SS..Hα-helixtrans-66.6-38.3178.600000112.2L380 Q393 L394 S401L380-A397 HydrophobicContact CD1-CB 3.97Å; L380-A397 HydrophobicContact CD2-CB 3.77Å; L380-A397 HydrophobicContact CG-CB 4.4Å; Q393-A397 WeakPolarHBondContact O-CB 3.34Å; Q393-A397 PolarHBondContact O-N 2.79Å; L394-A397 PolarHBondContact O-N 3.21Å; A397-S401 VanDerWaalsContact O-CB 3.23Å; A397-S401 WeakPolarHBondContact O-CB 3.46Å; A397-S401 PolarHBondContact O-N 3.44Å; A397-S401 PolarHBondContact O-OG 2.84Å
398Q69.7Low68.9Low4 Ų442.6 Ų42.62%0.01925%0.251CS..Hα-helixtrans-68.9-45.1175.5-168.668.92000111L394 F395 A400 S401 T402 G403 T404L394-Q398 VanDerWaalsContact O-CB 3.22Å; L394-Q398 WeakPolarHBondContact O-CB 3.27Å; L394-Q398 PolarHBondContact O-N 3.13Å; F395-Q398 PolarHBondContact O-N 3.02Å; Q398-A400 VanDerWaalsContact C-N 3.27Å; Q398-A400 PolarHBondContact O-N 2.94Å; Q398-S401 PolarHBondContact O-N 3.31Å; Q398-T402 VanDerWaalsContact CD-OG1 3.32Å; Q398-T402 PolarHBondContact NE2-OG1 2.81Å; Q398-T402 PolarHBondContact O-N 3.3Å; Q398-T402 PolarHBondContact O-OG1 3.23Å; Q398-G403 PolarHBondContact O-N 3.3Å; Q398-T404 WeakPolarHBondContact CG-O 3.31Å; Q398-T404 WeakPolarHBondContact CG-OG1 3.04Å; Q398-T404 PolarHBondContact NE2-OG1 3.42Å; Q398-T404 VanDerWaalsContact NE2-OG1 3.11Å
399L67.3Low68.8Low70 Ų7039.4 Ų39.437%0.36623%0.232SC..Hα-helixtrans-60.2-39.9176.8-172.966.7000111.2F395 H396 G403 I405F395-L399 HydrophobicContact CE1-CD2 4.3Å; F395-L399 VanDerWaalsContact O-CB 3.22Å; F395-L399 WeakPolarHBondContact O-CB 3.46Å; F395-L399 PolarHBondContact O-N 3.47Å; H396-L399 PolarHBondContact O-N 3.32Å; L399-G403 VanDerWaalsContact O-CA 3.29Å; L399-G403 WeakPolarHBondContact O-CA 3.24Å; L399-G403 PolarHBondContact O-N 2.99Å; L399-I405 HydrophobicContact CD1-CG1 4.25Å
400A67.2Low68.4Low90 Ų9043.2 Ų43.274%0.74425%0.246SC*.Hα-helixtrans-73.7-37.417800000113.7H396 Q398H396-A400 VanDerWaalsContact O-CB 3.25Å; H396-A400 WeakPolarHBondContact O-CB 3.32Å; H396-A400 PolarHBondContact O-N 3.13Å; Q398-A400 VanDerWaalsContact C-N 3.27Å; Q398-A400 PolarHBondContact O-N 2.94Å
401S65Low67.7Low75 Ų7544.5 Ų44.552%0.52425%0.247SC..Hα-helixtrans-87.2-43.2-173.160.50000114A397 Q398A397-S401 VanDerWaalsContact O-CB 3.23Å; A397-S401 WeakPolarHBondContact O-CB 3.46Å; A397-S401 PolarHBondContact O-N 3.44Å; A397-S401 PolarHBondContact O-OG 2.84Å; Q398-S401 PolarHBondContact O-N 3.31Å
402T65.3Low66.9Low70 Ų7044.8 Ų44.843%0.42925%0.251SS..Hα-helixtrans-115.7-9.4-173.761.50000112.8Q398 T404Q398-T402 VanDerWaalsContact CD-OG1 3.32Å; Q398-T402 PolarHBondContact NE2-OG1 2.81Å; Q398-T402 PolarHBondContact O-N 3.3Å; Q398-T402 PolarHBondContact O-OG1 3.23Å; T402-T404 PolarHBondContact O-N 3.33Å; T402-T404 PolarHBondContact OG1-N 3.11Å; T402-T404 PolarHBondContact OG1-OG1 3.13Å
403G60.7Low66.2Low11 Ų1146.3 Ų46.311%0.11326%0.259CS..SBendtrans6612.7-173.900000114.1Q398 L399 F463Q398-G403 PolarHBondContact O-N 3.3Å; L399-G403 VanDerWaalsContact O-CA 3.29Å; L399-G403 WeakPolarHBondContact O-CA 3.24Å; L399-G403 PolarHBondContact O-N 2.99Å; G403-F463 VanDerWaalsContact CA-CE2 3.44Å; G403-F463 WeakPolarHBondContact O-CE2 3.44Å; G403-F463 WeakPolarHBondContact O-CZ 3.42Å
404T62.5Low65Low12 Ų1249 Ų497%0.07427%0.271CS..PPolyproline II helixtrans-101.7147.8179.559.90000110.6Q398 T402 Q458 E459Q398-T404 WeakPolarHBondContact CG-O 3.31Å; Q398-T404 WeakPolarHBondContact CG-OG1 3.04Å; Q398-T404 PolarHBondContact NE2-OG1 3.42Å; Q398-T404 VanDerWaalsContact NE2-OG1 3.11Å; T402-T404 PolarHBondContact O-N 3.33Å; T402-T404 PolarHBondContact OG1-N 3.11Å; T402-T404 PolarHBondContact OG1-OG1 3.13Å; T404-Q458 HydrophobicContact CG2-CG 4.31Å; T404-Q458 VanDerWaalsContact OG1-CD 3.27Å; T404-Q458 WeakPolarHBondContact OG1-CG 3.33Å; T404-Q458 PolarHBondContact OG1-NE2 2.9Å; T404-Q458 VanDerWaalsContact OG1-NE2 3.11Å; T404-E459 WeakPolarHBondContact CB-O 3.24Å; T404-E459 VanDerWaalsContact CG2-O 3.22Å; T404-E459 WeakPolarHBondContact CG2-O 3.44Å
405I64.6Low63.1Low31 Ų3152.7 Ų52.716%0.15930%0.301CS..EExtended strand (participates in β ladder)trans-90.5135178.3-61.9173.1000108.8V363 F395 L399 I407 E459V363-I405 HydrophobicContact CG1-CD1 3.85Å; V363-I405 HydrophobicContact CG2-CD1 4.14Å; F395-I405 HydrophobicContact CE2-CG2 3.59Å; F395-I405 HydrophobicContact CZ-CG2 4.11Å; L399-I405 HydrophobicContact CD1-CG1 4.25Å; I405-I407 HydrophobicContact CG2-CG1 4.2Å; I405-E459 HydrophobicContact CB-CB 4.43Å; I405-E459 WeakPolarHBondContact O-CB 3.09Å; I405-E459 PolarHBondContact O-N 3.14Å
406S64Low61.3Low1 Ų154.6 Ų54.61%0.00732%0.323CS..EExtended strand (participates in β ladder)trans-94122.1167.9-60.90000108.4F391 F395 V457F391-S406 WeakPolarHBondContact CZ-O 3.26Å; F395-S406 WeakPolarHBondContact CD2-O 3.49Å; S406-V457 CarbonylContact C-O 3.55Å; S406-V457 WeakPolarHBondContact CA-O 3.5Å
407I64.1Low59.5Low55 Ų5555.5 Ų55.528%0.28233%0.331SS..EExtended strand (participates in β ladder)trans-97.7-23.9-171.7-61.5164.6000112L368 I405 Y441 V457 E459L368-I407 HydrophobicContact CD2-CD1 3.63Å; I405-I407 HydrophobicContact CG2-CG1 4.2Å; I407-Y441 PolarHBondContact O-OH 3.04Å; I407-V457 PolarHBondContact N-O 3.25Å; I407-E459 HydrophobicContact CD1-CB 3.82Å; I407-E459 HydrophobicContact CD1-CG 4.09Å; I407-E459 HydrophobicContact CG1-CB 4.48Å
408G63.1Low57.6Low0 Ų061.1 Ų61.10%036%0.357CS..EExtended strand (participates in β ladder)trans-173.2-178.7177.700000114.3V457G408-V457 PolarHBondContact O-N 3.48Å
409L66.8Low55.8Low0 Ų069.4 Ų69.40%040%0.398CS..EExtended strand (participates in β ladder)trans-123.8131.2-178.9-64.8168.5000109.9F391 L394 T442 P444 I450 D454 M455 K456F391-L409 HydrophobicContact CD2-CD1 3.98Å; F391-L409 HydrophobicContact CD2-CD2 4.4Å; F391-L409 HydrophobicContact CD2-CG 4.05Å; F391-L409 HydrophobicContact CE2-CG 4.22Å; L394-L409 HydrophobicContact CD2-CD2 4.34Å; L409-T442 PolarHBondContact N-O 2.75Å; L409-T442 PolarHBondContact O-N 2.88Å; L409-T442 PolarHBondContact O-OG1 3.11Å; L409-T442 VanDerWaalsContact O-OG1 3.09Å; L409-P444 HydrophobicContact CD1-CB 3.95Å; L409-P444 HydrophobicContact CD1-CG 3.98Å; L409-P444 HydrophobicContact CG-CG 4.1Å; L409-I450 HydrophobicContact CD1-CG1 3.8Å; L409-I450 HydrophobicContact CD2-CG1 4.3Å; L409-D454 HydrophobicContact CD2-CB 4.41Å; L409-M455 CarbonylContact C-O 3.59Å; L409-M455 WeakPolarHBondContact CA-O 3.17Å; L409-K456 HydrophobicContact CD2-CB 4.42Å
410Y62.8Low54.1Low81 Ų8172.9 Ų72.932%0.31842%0.417SS..EExtended strand (participates in β ladder)trans-95.7111166.4-93.8-97.8000108.6L370 F439 V440 Y441 D454 M455 V457L370-Y410 HydrophobicContact CD1-CD2 3.92Å; L370-Y410 HydrophobicContact CD1-CE2 3.8Å; L370-Y410 HydrophobicContact CD2-CD1 4.46Å; L370-Y410 HydrophobicContact CD2-CD2 3.88Å; L370-Y410 HydrophobicContact CD2-CE2 4.42Å; L370-Y410 HydrophobicContact CD2-CG 3.91Å; L370-Y410 HydrophobicContact CG-CD2 4.14Å; Y410-F439 HydrophobicContact CD1-CB 3.68Å; Y410-V440 WeakPolarHBondContact CA-O 3.17Å; Y410-Y441 AromaticContact CD2-CD2 3.61Å; Y410-Y441 HydrophobicContact CD2-CD2 3.61Å; Y410-Y441 HydrophobicContact CD2-CE2 4.48Å; Y410-Y441 HydrophobicContact CD2-CG 4.42Å; Y410-Y441 AromaticContact CE2-CD2 3.36Å; Y410-Y441 HydrophobicContact CE2-CD2 3.36Å; Y410-Y441 HydrophobicContact CE2-CE2 4.23Å; Y410-Y441 AromaticContact CE2-CG 3.98Å; Y410-Y441 HydrophobicContact CE2-CG 3.98Å; Y410-D454 CarbonylContact O-C 3.59Å; Y410-D454 WeakPolarHBondContact O-CA 3.31Å; Y410-M455 PolarHBondContact N-O 2.72Å; Y410-M455 PolarHBondContact O-N 3.44Å; Y410-V457 HydrophobicContact CD2-CG2 3.55Å; Y410-V457 HydrophobicContact CE2-CG2 3.79Å
411R64.4Low52.4Low68 Ų6877.4 Ų77.426%0.25742%0.423SS..EExtended strand (participates in β ladder)trans-100.2128-178.6177.1163.7-65.7161.33.4111.2V413 F439 V440 P449 Y451 D454R411-V413 PolarHBondContact O-N 3.28Å; R411-F439 CarbonylContact O-C 3.56Å; R411-F439 WeakPolarHBondContact O-CA 3.43Å; R411-V440 PolarHBondContact N-O 3.32Å; R411-V440 PolarHBondContact O-N 2.89Å; R411-P449 PolarHBondContact NH2-O 3.01Å; R411-Y451 VanDerWaalsContact CZ-CE2 3.44Å; R411-D454 WeakPolarHBondContact CA-OD1 3.45Å; R411-D454 VanDerWaalsContact CB-OD1 3.3Å; R411-D454 WeakPolarHBondContact CB-OD1 3.26Å; R411-D454 VanDerWaalsContact CG-OD1 3.22Å; R411-D454 WeakPolarHBondContact CG-OD1 3.37Å; R411-D454 IonicContact CZ-OD1 3.48Å; R411-D454 IonicContact CZ-OD2 3.96Å; R411-D454 IonicContact NE-OD1 2.73Å; R411-D454 PolarHBondContact NE-OD1 2.99Å; R411-D454 IonicContact NE-OD2 3.03Å; R411-D454 PolarHBondContact NE-OD2 3.19Å; R411-D454 IonicContact NH2-OD1 2.61Å; R411-D454 IonicContact NH2-OD2 3.97Å; R411-D454 PolarHBondContact NH2-OD2 2.87Å
412S60.2Low50.8Low26 Ų2684.3 Ų84.318%0.18244%0.439CS..EExtended strand (participates in β ladder)trans-66.9127171-173.30000110.2R438S412-R438 CarbonylContact C-O 3.27Å; S412-R438 WeakPolarHBondContact CA-O 3.48Å
413V57Low49.3Very low72 Ų7289.1 Ų89.144%0.43646%0.461SS..EExtended strand (participates in β ladder)trans-90.598.4172.4-178.30000106.8R411 A415 R438 V440R411-V413 PolarHBondContact O-N 3.28Å; V413-A415 PolarHBondContact O-N 3.35Å; V413-R438 HydrophobicContact CB-CB 4.22Å; V413-R438 PolarHBondContact N-O 3.34Å; V413-V440 HydrophobicContact CG2-CB 4.28Å; V413-V440 HydrophobicContact CG2-CG2 3.46Å; V413-V440 VanDerWaalsContact CG2-CG2 3.46Å
414E52.1Low47.8Very low155 Ų15593.7 Ų93.772%0.72449%0.491SS*.  trans-62.7125.2164.4-71.8-175.5179.400108.2S416E414-S416 PolarHBondContact O-N 3.07Å
415A34.3Very low46.1Very low77 Ų7797.8 Ų97.864%0.63652%0.52SS*.  trans-61.6101.2170.200000107.7V413 N417V413-A415 PolarHBondContact O-N 3.35Å; A415-N417 VanDerWaalsContact C-N 3.34Å; A415-N417 PolarHBondContact O-N 2.88Å
416S34.7Very low44.4Very low104 Ų104105.4 Ų105.473%0.72755%0.553SS**  trans-63.6100.5168.960.10000107.4E414 N418E414-S416 PolarHBondContact O-N 3.07Å; S416-N418 PolarHBondContact O-N 3.33Å
417N31.4Very low42.8Very low132 Ų132112 Ų11271%0.70659%0.588SS**  trans-62.685.1166.3-69.3-12.7000108.2A415A415-N417 VanDerWaalsContact C-N 3.34Å; A415-N417 PolarHBondContact O-N 2.88Å
418N32.4Very low41Very low149 Ų149117 Ų11780%0.79761%0.613SS**  trans-144.822.6170.9-101.1-4.5000112.5S416S416-N418 PolarHBondContact O-N 3.33Å
419M32.2Very low39.4Very low179 Ų179126.8 Ų126.888%0.88265%0.652SS**SBendtrans-126.528.9173.4-73-70.5-81.900112.6
420D31Very low37.6Very low143 Ų143134.6 Ų134.677%0.76569%0.693SS**  trans-121.167174.7-70.3-33.9000110.5
421E32.1Very low36Very low185 Ų185139.1 Ų139.186%0.86472%0.717SS**SBendtrans-110.53.5163.3-135.9178.2-164.300112.8
422Y31.8Very low34.2Very low219 Ų219141.1 Ų141.186%0.85975%0.748SS**SBendtrans-133.577172.2-84.8-93.8000109.6
423L32.8Very low32.7Very low171 Ų171145.3 Ų145.390%0.89578%0.777SS**  trans176.366.1146.6-91.7154000107.7
424S30.4Very low31.3Very low107 Ų107145 Ų14575%0.74879%0.788SS**  trans-66.7136.1164.41220000109.1
425S26.5Very low30.4Very low98 Ų98147 Ų14769%0.68580%0.795SS**SBendtrans72.984150.8-43.80000117.9
426K28.2Very low30.4Very low192 Ų192150.8 Ų150.884%0.83580%0.803SS**  161.6108.6121.1-90.7165.7178175.80111
427N30.2Very low30.5Very low139 Ų139152 Ų15274%0.74380%0.797SS**  trans145.895.6132.6-74.3-23.8000109.7Y429N427-Y429 HydrophobicContact CB-CD2 4.42Å; N427-Y429 PolarHBondContact O-N 3.07Å; N427-Y429 VanDerWaalsContact O-N 3.11Å
428I26.9Very low30.9Very low160 Ų160154.4 Ų154.482%0.82180%0.796SS**  trans-55.1104.5158.3-64.8159.5000107.1
429Y29.7Very low31.7Very low206 Ų206150.7 Ų150.781%0.80877%0.773SS**  trans-129.1104.6151.3-82.5-79.9000107.4N427 E431N427-Y429 HydrophobicContact CB-CD2 4.42Å; N427-Y429 PolarHBondContact O-N 3.07Å; N427-Y429 VanDerWaalsContact O-N 3.11Å; Y429-E431 PolarHBondContact O-N 3.33Å
430L28.3Very low32.1Very low164 Ų164145.8 Ų145.886%0.85975%0.753SS**  trans-81.895.8178-16197.8000106.8
431E28.6Very low33.1Very low176 Ų176142.2 Ų142.282%0.82273%0.729SS**  trans-149.993172.8-110.4170.9-15400111.4Y429 S433Y429-E431 PolarHBondContact O-N 3.33Å; E431-S433 PolarHBondContact O-N 3.24Å
432A26.9Very low34.2Very low110 Ų110135.8 Ų135.891%0.90970%0.703SS**  trans47.332.6147.800000120.6G434A432-G434 PolarHBondContact O-N 3.43Å; A432-G434 VanDerWaalsContact O-N 3.09Å
433S28.6Very low35.5Very low113 Ų113131.8 Ų131.879%0.7970%0.695SS**  trans-77.790163.854.70000110.3E431 K435E431-S433 PolarHBondContact O-N 3.24Å; S433-K435 PolarHBondContact O-N 2.64Å; S433-K435 VanDerWaalsContact O-N 3.12Å
434G27.9Very low36.8Very low66 Ų66124.4 Ų124.468%0.6866%0.658SS**  trans-53.5119.416400000108.9A432 I436A432-G434 PolarHBondContact O-N 3.43Å; A432-G434 VanDerWaalsContact O-N 3.09Å; G434-I436 PolarHBondContact O-N 3.15Å
435K33.6Very low38.7Very low198 Ų198125.9 Ų125.986%0.86165%0.653SS**  trans-51.2105170.8-81.8176.5170.7-1790108S433 E437S433-K435 PolarHBondContact O-N 2.64Å; S433-K435 VanDerWaalsContact O-N 3.12Å; K435-E437 PolarHBondContact O-N 3.35Å; K435-E437 VanDerWaalsContact O-N 3.08Å
436I33.4Very low40.6Very low156 Ų156125.2 Ų125.280%0.865%0.646SS**  trans-68.2107.1169.1-59.2173.6000106G434 R438G434-I436 PolarHBondContact O-N 3.15Å; I436-R438 PolarHBondContact O-N 3.27Å
437E37.9Very low42.7Very low129 Ų129120.8 Ų120.860%0.60364%0.635SS**  trans-63.1119.4172-68.9-175.3168.500108.6K435 F439K435-E437 PolarHBondContact O-N 3.35Å; K435-E437 VanDerWaalsContact O-N 3.08Å; E437-F439 HydrophobicContact CB-CD2 4.31Å; E437-F439 HydrophobicContact CB-CE2 3.66Å; E437-F439 HydrophobicContact CB-CZ 4.3Å; E437-F439 WeakPolarHBondContact OE2-CZ 3.32Å
438R39.2Very low44.7Very low183 Ų183115.5 Ų115.569%0.69161%0.608SS**EExtended strand (participates in β ladder)trans-87121.2176.3-70.3-180177.1137.9-0.8107.5S412 V413 I436S412-R438 CarbonylContact C-O 3.27Å; S412-R438 WeakPolarHBondContact CA-O 3.48Å; V413-R438 HydrophobicContact CB-CB 4.22Å; V413-R438 PolarHBondContact N-O 3.34Å; I436-R438 PolarHBondContact O-N 3.27Å
439F50.3Low46.9Very low70 Ų70110.4 Ų110.431%0.30759%0.586SS.*EExtended strand (participates in β ladder)trans-104.6138.9171.1-65.2-100.7000110.8Y410 R411 E437 M455Y410-F439 HydrophobicContact CD1-CB 3.68Å; R411-F439 CarbonylContact O-C 3.56Å; R411-F439 WeakPolarHBondContact O-CA 3.43Å; E437-F439 HydrophobicContact CB-CD2 4.31Å; E437-F439 HydrophobicContact CB-CE2 3.66Å; E437-F439 HydrophobicContact CB-CZ 4.3Å; E437-F439 WeakPolarHBondContact OE2-CZ 3.32Å; F439-M455 HydrophobicContact CD1-SD 4.42Å; F439-M455 HydrophobicContact CE1-CG 4.18Å; F439-M455 HydrophobicContact CE1-SD 3.99Å; F439-M455 HydrophobicContact CZ-SD 4.25Å
440V39.4Very low49Very low76 Ų76100.6 Ų100.646%0.46155%0.547SS..EExtended strand (participates in β ladder)trans-108.7123.5173.6173.70000108.3Y410 R411 V413Y410-V440 WeakPolarHBondContact CA-O 3.17Å; R411-V440 PolarHBondContact N-O 3.32Å; R411-V440 PolarHBondContact O-N 2.89Å; V413-V440 HydrophobicContact CG2-CB 4.28Å; V413-V440 HydrophobicContact CG2-CG2 3.46Å; V413-V440 VanDerWaalsContact CG2-CG2 3.46Å
441Y53.3Low51Low68 Ų6897 Ų9727%0.26752%0.523SS..EExtended strand (participates in β ladder)trans-71.5128.1168.6-179.9-107.9000109.3I407 Y410 L443 V457I407-Y441 PolarHBondContact O-OH 3.04Å; Y410-Y441 AromaticContact CD2-CD2 3.61Å; Y410-Y441 HydrophobicContact CD2-CD2 3.61Å; Y410-Y441 HydrophobicContact CD2-CE2 4.48Å; Y410-Y441 HydrophobicContact CD2-CG 4.42Å; Y410-Y441 AromaticContact CE2-CD2 3.36Å; Y410-Y441 HydrophobicContact CE2-CD2 3.36Å; Y410-Y441 HydrophobicContact CE2-CE2 4.23Å; Y410-Y441 AromaticContact CE2-CG 3.98Å; Y410-Y441 HydrophobicContact CE2-CG 3.98Å; Y441-L443 HydrophobicContact CE1-CD1 3.88Å; Y441-L443 HydrophobicContact CE1-CG 3.85Å; Y441-V457 HydrophobicContact CD2-CG2 4.21Å; Y441-V457 HydrophobicContact CE2-CG2 3.87Å
442T54.5Low52.8Low51 Ų5190.5 Ų90.531%0.31350%0.496SS..EExtended strand (participates in β ladder)trans-123.1133.217325.80000107.8L409 P444L409-T442 PolarHBondContact N-O 2.75Å; L409-T442 PolarHBondContact O-N 2.88Å; L409-T442 PolarHBondContact O-OG1 3.11Å; L409-T442 VanDerWaalsContact O-OG1 3.09Å; T442-P444 WeakPolarHBondContact O-CD 3.43Å
443L59.5Low54.8Low134 Ų13490 Ų9070%0.70248%0.478SS*.  trans-8298.3160-86.9135.1000106.1Y441Y441-L443 HydrophobicContact CE1-CD1 3.88Å; Y441-L443 HydrophobicContact CE1-CG 3.85Å
444P60.5Low56.6Low17 Ų1784.8 Ų84.811%0.1144%0.441CS..  trans-72.4134.1-171.728.6-32.4000110.6F391 L409 T442 T448F391-P444 HydrophobicContact CB-CB 3.9Å; F391-P444 HydrophobicContact CB-CG 3.98Å; F391-P444 HydrophobicContact CD1-CB 4.16Å; F391-P444 HydrophobicContact CD1-CG 3.5Å; F391-P444 HydrophobicContact CD2-CB 4.02Å; F391-P444 HydrophobicContact CD2-CG 3.21Å; F391-P444 HydrophobicContact CE1-CG 3.63Å; F391-P444 HydrophobicContact CE2-CG 3.34Å; F391-P444 HydrophobicContact CG-CB 3.76Å; F391-P444 HydrophobicContact CG-CG 3.26Å; F391-P444 HydrophobicContact CZ-CG 3.53Å; L409-P444 HydrophobicContact CD1-CB 3.95Å; L409-P444 HydrophobicContact CD1-CG 3.98Å; L409-P444 HydrophobicContact CG-CG 4.1Å; T442-P444 WeakPolarHBondContact O-CD 3.43Å; P444-T448 WeakPolarHBondContact CA-OG1 3.13Å; P444-T448 HydrophobicContact CB-CG2 3.93Å; P444-T448 WeakPolarHBondContact CB-OG1 3.44Å
445E69.2Low58.2Low137 Ų13783.8 Ų83.864%0.6442%0.419SS*.  trans-58.7153.1160.4-69-177.1176.500109.6T447 T448E445-T447 PolarHBondContact O-N 3.34Å; E445-T448 PolarHBondContact N-OG1 2.94Å; E445-T448 VanDerWaalsContact O-CB 3.25Å; E445-T448 WeakPolarHBondContact O-CB 3.35Å; E445-T448 PolarHBondContact O-N 2.81Å; E445-T448 PolarHBondContact O-OG1 3.24Å
446P66.5Low59.9Low84 Ų8474.5 Ų74.555%0.54538%0.379SS..THydrogen-bonded Turntrans-53.1-28.1-177.6-24.632.2000114.1S392S392-P446 VanDerWaalsContact CB-O 3.32Å; S392-P446 WeakPolarHBondContact CB-O 3.34Å; S392-P446 PolarHBondContact N-O 3.06Å
447T72.5Confident61Low99 Ų9967.6 Ų67.661%0.60734%0.344SS*.THydrogen-bonded Turntrans-87.5-4.2-179.151.10000113.9E445 P449E445-T447 PolarHBondContact O-N 3.34Å; T447-P449 WeakPolarHBondContact O-CD 3.44Å
448T72.4Confident62Low28 Ų2862.4 Ų62.417%0.17232%0.319CS..PPolyproline II helixtrans-65.2123.7-176.3-53.90000110T390 F391 P444 E445T390-T448 CarbonylContact C-O 3.56Å; T390-T448 WeakPolarHBondContact CA-O 3.36Å; F391-T448 PolarHBondContact N-O 3.18Å; P444-T448 WeakPolarHBondContact CA-OG1 3.13Å; P444-T448 HydrophobicContact CB-CG2 3.93Å; P444-T448 WeakPolarHBondContact CB-OG1 3.44Å; E445-T448 PolarHBondContact N-OG1 2.94Å; E445-T448 VanDerWaalsContact O-CB 3.25Å; E445-T448 WeakPolarHBondContact O-CB 3.35Å; E445-T448 PolarHBondContact O-N 2.81Å; E445-T448 PolarHBondContact O-OG1 3.24Å
449P73.8Confident62.7Low54 Ų5453.8 Ų53.835%0.35129%0.287SS..BIsolated β-bridgetrans-72.7140.2175.629.4-33.7000110.6R411 T447R411-P449 PolarHBondContact NH2-O 3.01Å; T447-P449 WeakPolarHBondContact O-CD 3.44Å
450I72.2Confident62.6Low0 Ų052 Ų520%028%0.283CS..PPolyproline II helixtrans-95.1131178.5-68.8160.5000109.8L373 A384 L389 L394 L409L373-I450 HydrophobicContact CD1-CG2 3.21Å; L373-I450 HydrophobicContact CD2-CG2 4.07Å; L373-I450 HydrophobicContact CG-CG2 4.32Å; A384-I450 HydrophobicContact CB-CG2 4.32Å; L389-I450 HydrophobicContact CD2-CB 4.42Å; L389-I450 HydrophobicContact CD2-CD1 3.86Å; L389-I450 HydrophobicContact CD2-CG2 4.48Å; L389-I450 HydrophobicContact CG-CD1 3.98Å; L389-I450 PolarHBondContact O-N 3.14Å; L394-I450 HydrophobicContact CB-CD1 3.33Å; L394-I450 HydrophobicContact CD1-CD1 4.13Å; L394-I450 HydrophobicContact CD2-CD1 3.55Å; L394-I450 HydrophobicContact CG-CD1 3.84Å; L409-I450 HydrophobicContact CD1-CG1 3.8Å; L409-I450 HydrophobicContact CD2-CG1 4.3Å
451Y71.6Confident62.6Low88 Ų8849.6 Ų49.635%0.34527%0.271SS..PPolyproline II helixtrans-98.9152.1173.4-63.2-78.4000111L373 K387 R411 N453 D454L373-Y451 WeakPolarHBondContact CD1-O 3.28Å; K387-Y451 HydrophobicContact CD-CE1 4.31Å; R411-Y451 VanDerWaalsContact CZ-CE2 3.44Å; Y451-N453 PolarHBondContact O-N 3.3Å; Y451-N453 VanDerWaalsContact O-N 3.13Å; Y451-D454 PolarHBondContact N-OD2 3.2Å; Y451-D454 WeakPolarHBondContact O-CB 3.42Å; Y451-D454 PolarHBondContact O-N 3.14Å
452P65.5Low61.6Low40 Ų4050.2 Ų50.226%0.2629%0.285SS..THydrogen-bonded Turntrans-60-25.7-178.920.3-31.2000113.9M374 D454M374-P452 HydrophobicContact CE-CB 4.18Å; M374-P452 WeakPolarHBondContact CE-O 3.29Å; P452-D454 VanDerWaalsContact C-N 3.33Å
453N68.5Low60.4Low99 Ų9954 Ų5453%0.52930%0.297SS..THydrogen-bonded Turntrans-85.8-3.5177.7-62.4-5.9000113.3Y451Y451-N453 PolarHBondContact O-N 3.3Å; Y451-N453 VanDerWaalsContact O-N 3.13Å
454D66.8Low58.8Low3 Ų353.7 Ų53.72%0.01630%0.296CS..  trans-71.4144.1176.2-65.1-20.5000109.3L373 L409 Y410 R411 Y451 P452L373-D454 HydrophobicContact CD1-CB 3.76Å; L373-D454 WeakPolarHBondContact CD1-O 3Å; L373-D454 VanDerWaalsContact CG-O 3.31Å; L373-D454 WeakPolarHBondContact CG-O 3.38Å; L409-D454 HydrophobicContact CD2-CB 4.41Å; Y410-D454 CarbonylContact O-C 3.59Å; Y410-D454 WeakPolarHBondContact O-CA 3.31Å; R411-D454 WeakPolarHBondContact CA-OD1 3.45Å; R411-D454 VanDerWaalsContact CB-OD1 3.3Å; R411-D454 WeakPolarHBondContact CB-OD1 3.26Å; R411-D454 VanDerWaalsContact CG-OD1 3.22Å; R411-D454 WeakPolarHBondContact CG-OD1 3.37Å; R411-D454 IonicContact CZ-OD1 3.48Å; R411-D454 IonicContact CZ-OD2 3.96Å; R411-D454 IonicContact NE-OD1 2.73Å; R411-D454 PolarHBondContact NE-OD1 2.99Å; R411-D454 IonicContact NE-OD2 3.03Å; R411-D454 PolarHBondContact NE-OD2 3.19Å; R411-D454 IonicContact NH2-OD1 2.61Å; R411-D454 IonicContact NH2-OD2 3.97Å; R411-D454 PolarHBondContact NH2-OD2 2.87Å; Y451-D454 PolarHBondContact N-OD2 3.2Å; Y451-D454 WeakPolarHBondContact O-CB 3.42Å; Y451-D454 PolarHBondContact O-N 3.14Å; P452-D454 VanDerWaalsContact C-N 3.33Å
455M62.8Low57.3Low45 Ų4556.8 Ų56.822%0.22232%0.315CS..EExtended strand (participates in β ladder)trans-104.4131.8169.8-57.5179.276.300108.2L370 P372 L409 Y410 F439L370-M455 HydrophobicContact CB-CE 4.31Å; L370-M455 HydrophobicContact CD2-CB 3.98Å; L370-M455 HydrophobicContact CD2-CE 3.84Å; L370-M455 HydrophobicContact CD2-SD 3.83Å; P372-M455 HydrophobicContact CG-CE 4.1Å; L409-M455 CarbonylContact C-O 3.59Å; L409-M455 WeakPolarHBondContact CA-O 3.17Å; Y410-M455 PolarHBondContact N-O 2.72Å; Y410-M455 PolarHBondContact O-N 3.44Å; F439-M455 HydrophobicContact CD1-SD 4.42Å; F439-M455 HydrophobicContact CE1-CG 4.18Å; F439-M455 HydrophobicContact CE1-SD 3.99Å; F439-M455 HydrophobicContact CZ-SD 4.25Å
456K68.2Low55.2Low4 Ų456.4 Ų56.42%0.01731%0.313CS..EExtended strand (participates in β ladder)trans-84.5145.5174.464.7165178.9-173.70110.1L370 I371 L376 L394 L409 Q458L370-K456 WeakPolarHBondContact CA-O 3.41Å; I371-K456 HydrophobicContact CB-CG 4.09Å; I371-K456 PolarHBondContact N-O 3.24Å; I371-K456 WeakPolarHBondContact O-CG 3.22Å; I371-K456 PolarHBondContact O-N 2.82Å; L376-K456 HydrophobicContact CD1-CD 3.68Å; L376-K456 HydrophobicContact CD1-CG 4.17Å; L376-K456 VanDerWaalsContact CD1-NZ 3.34Å; L376-K456 HydrophobicContact CD2-CD 4.22Å; L376-K456 HydrophobicContact CG-CD 4.33Å; L394-K456 HydrophobicContact CD2-CB 4.49Å; L409-K456 HydrophobicContact CD2-CB 4.42Å; K456-Q458 HydrophobicContact CD-CB 4.47Å
457V56.7Low53.2Low10 Ų1060.4 Ų60.46%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-95.7107.5166.4-174.50000107.5L368 R369 L370 S406 I407 G408 Y410 Y441L368-V457 HydrophobicContact CD2-CG1 3.36Å; R369-V457 CarbonylContact O-C 3.54Å; L370-V457 HydrophobicContact CD1-CG2 3.93Å; L370-V457 HydrophobicContact CG-CG2 4.21Å; S406-V457 CarbonylContact C-O 3.55Å; S406-V457 WeakPolarHBondContact CA-O 3.5Å; I407-V457 PolarHBondContact N-O 3.25Å; G408-V457 PolarHBondContact O-N 3.48Å; Y410-V457 HydrophobicContact CD2-CG2 3.55Å; Y410-V457 HydrophobicContact CE2-CG2 3.79Å; Y441-V457 HydrophobicContact CD2-CG2 4.21Å; Y441-V457 HydrophobicContact CE2-CG2 3.87Å
458Q58.8Low51.1Low20 Ų2064.2 Ų64.29%0.09333%0.326CS..EExtended strand (participates in β ladder)trans-101140-178.8-176.9175.6-39.600110.9R369 I371 T404 K456R369-Q458 PolarHBondContact N-O 2.73Å; R369-Q458 PolarHBondContact O-N 2.75Å; I371-Q458 HydrophobicContact CD1-CB 3.75Å; I371-Q458 VanDerWaalsContact CD1-CD 3.47Å; I371-Q458 HydrophobicContact CD1-CG 4.15Å; T404-Q458 HydrophobicContact CG2-CG 4.31Å; T404-Q458 VanDerWaalsContact OG1-CD 3.27Å; T404-Q458 WeakPolarHBondContact OG1-CG 3.33Å; T404-Q458 PolarHBondContact OG1-NE2 2.9Å; T404-Q458 VanDerWaalsContact OG1-NE2 3.11Å; K456-Q458 HydrophobicContact CD-CB 4.47Å
459E53.2Low48.9Very low3 Ų364.4 Ų64.41%0.01433%0.334CS..EExtended strand (participates in β ladder)trans-102.6119.8175.4-163.2-157.6144.900110.9L365 Q367 T404 I405 I407 A461L365-E459 VanDerWaalsContact CA-OE1 3.3Å; L365-E459 WeakPolarHBondContact CA-OE1 3.47Å; L365-E459 HydrophobicContact CD2-CG 4.3Å; L365-E459 WeakPolarHBondContact CD2-OE1 3.06Å; L365-E459 WeakPolarHBondContact CD2-OE2 3.12Å; Q367-E459 WeakPolarHBondContact O-CA 3.17Å; T404-E459 WeakPolarHBondContact CB-O 3.24Å; T404-E459 VanDerWaalsContact CG2-O 3.22Å; T404-E459 WeakPolarHBondContact CG2-O 3.44Å; I405-E459 HydrophobicContact CB-CB 4.43Å; I405-E459 WeakPolarHBondContact O-CB 3.09Å; I405-E459 PolarHBondContact O-N 3.14Å; I407-E459 HydrophobicContact CD1-CB 3.82Å; I407-E459 HydrophobicContact CD1-CG 4.09Å; I407-E459 HydrophobicContact CG1-CB 4.48Å; E459-A461 PolarHBondContact O-N 3.34Å; E459-A461 VanDerWaalsContact O-N 3.07Å
460C48Very low46.7Very low32 Ų3269 Ų6922%0.21636%0.361CS..  trans-78.393.5170.8-75.80000109.4S366 Q367S366-C460 PolarHBondContact OG-O 3.37Å; Q367-C460 HydrophobicContact CB-CB 4.4Å; Q367-C460 PolarHBondContact O-N 3.43Å
461A39.8Very low44.6Very low26 Ų2674.1 Ų74.122%0.21539%0.392CS..  trans-79.6117.6170.200000110.1E459 F463E459-A461 PolarHBondContact O-N 3.34Å; E459-A461 VanDerWaalsContact O-N 3.07Å; A461-F463 PolarHBondContact O-N 3.2Å
462S32.8Very low42.4Very low80 Ų8077.9 Ų77.956%0.55942%0.419SS*.  trans-73104.2154.542.70000107.6L464S462-L464 PolarHBondContact O-N 3.19Å
463F29.2Very low40.5Very low130 Ų13081.9 Ų81.957%0.5744%0.442SS*.  trans-54.3116.9-178.8-83.5-98.3000112.2G403 A461 V465G403-F463 VanDerWaalsContact CA-CE2 3.44Å; G403-F463 WeakPolarHBondContact O-CE2 3.44Å; G403-F463 WeakPolarHBondContact O-CZ 3.42Å; A461-F463 PolarHBondContact O-N 3.2Å; F463-V465 HydrophobicContact CD1-CG2 3.82Å; F463-V465 HydrophobicContact CE1-CG2 4.34Å
464L25.5Very low38.7Very low128 Ų12888.8 Ų88.867%0.6746%0.461SS*.  trans-130.991.4151-114.9156.4000104.9S462 E466S462-L464 PolarHBondContact O-N 3.19Å; L464-E466 PolarHBondContact O-N 2.81Å
465V29.5Very low36.9Very low83 Ų8395.2 Ų95.250%0.50350%0.495SS..  trans-84.898.3170179.60000106F463 F467F463-V465 HydrophobicContact CD1-CG2 3.82Å; F463-V465 HydrophobicContact CE1-CG2 4.34Å; V465-F467 HydrophobicContact CB-CE2 4.33Å; V465-F467 HydrophobicContact CG1-CD2 3.53Å; V465-F467 HydrophobicContact CG1-CE1 4.41Å; V465-F467 HydrophobicContact CG1-CE2 3.38Å; V465-F467 HydrophobicContact CG1-CG 4.12Å; V465-F467 HydrophobicContact CG1-CZ 3.86Å; V465-F467 PolarHBondContact O-N 3.24Å
466E24.5Very low35.2Very low129 Ų12998.5 Ų98.560%0.60352%0.522SS*.  trans-80.6104159.7-81-172.8174.200107.7L464 Y468L464-E466 PolarHBondContact O-N 2.81Å; E466-Y468 HydrophobicContact CB-CD2 4.3Å; E466-Y468 HydrophobicContact CB-CE2 3.91Å; E466-Y468 PolarHBondContact O-N 2.95Å; E466-Y468 VanDerWaalsContact OE2-CE2 3.22Å; E466-Y468 WeakPolarHBondContact OE2-CE2 3.38Å; E466-Y468 PolarHBondContact OE2-OH 3.42Å
467F25.9Very low33.5Very low168 Ų168108.6 Ų108.674%0.73756%0.56SS**  trans-71.5102.3165.2-77.2-85.3000108.4V465 G469V465-F467 HydrophobicContact CB-CE2 4.33Å; V465-F467 HydrophobicContact CG1-CD2 3.53Å; V465-F467 HydrophobicContact CG1-CE1 4.41Å; V465-F467 HydrophobicContact CG1-CE2 3.38Å; V465-F467 HydrophobicContact CG1-CG 4.12Å; V465-F467 HydrophobicContact CG1-CZ 3.86Å; V465-F467 PolarHBondContact O-N 3.24Å; F467-G469 PolarHBondContact O-N 2.68Å; F467-G469 VanDerWaalsContact O-N 3.11Å
468Y27.6Very low32.3Very low178 Ų178117.1 Ų117.170%0.69860%0.599SS**  trans-8364.8156.7-71.5-83.1000108.8E466E466-Y468 HydrophobicContact CB-CD2 4.3Å; E466-Y468 HydrophobicContact CB-CE2 3.91Å; E466-Y468 PolarHBondContact O-N 2.95Å; E466-Y468 VanDerWaalsContact OE2-CE2 3.22Å; E466-Y468 WeakPolarHBondContact OE2-CE2 3.38Å; E466-Y468 PolarHBondContact OE2-OH 3.42Å
469G26.9Very low31.1Very low32 Ų32120.8 Ų120.833%0.3363%0.628SS.*  trans-88.2106.816900000109F467 T471F467-G469 PolarHBondContact O-N 2.68Å; F467-G469 VanDerWaalsContact O-N 3.11Å; G469-T471 PolarHBondContact O-N 3.19Å
470T25.8Very low30Very low150 Ų150129 Ų12992%0.9267%0.666SS**  trans-75.858.8156.643.70000109.1N472T470-N472 PolarHBondContact O-N 3.39Å
471T28.6Very low29.3Very low108 Ų108134.1 Ų134.166%0.66370%0.696SS**  trans-87.692.8168.950.50000108.9G469 V473G469-T471 PolarHBondContact O-N 3.19Å; T471-V473 PolarHBondContact O-N 2.95Å
472N24.9Very low29.8Very low168 Ų168142.5 Ų142.590%0.89875%0.748SS**  trans-67.178.2157.2-109.3-22.3000108.6T470T470-N472 PolarHBondContact O-N 3.39Å
473V27.2Very low29.7Very low124 Ų124145.6 Ų145.675%0.75276%0.758SS**  trans-146.687.1163.2-172.20000108.1T471T471-V473 PolarHBondContact O-N 2.95Å
474R29.4Very low29.7Very low244 Ų244146.4 Ų146.492%0.92177%0.768SS**  trans-91.1106.9153.4-95.3-175.1178.6169.21.2107.8
475D30.3Very low29.9Very low138 Ų138147.4 Ų147.474%0.73877%0.773SS**  trans44.596.4135-68.5-39.7000117.5R477D475-R477 PolarHBondContact O-N 3.24Å
476S27Very low30Very low113 Ų113151.2 Ų151.279%0.7979%0.789SS**  trans-67.4110.9140.937.60000108.9
477R31.3Very low30.3Very low217 Ų217152.6 Ų152.682%0.81980%0.801SS**  trans-172114.3148.7-102.2166.2-151.2-160.77.8110.2D475D475-R477 PolarHBondContact O-N 3.24Å
478Q32.7Very low30.6Very low188 Ų188151.6 Ų151.688%0.87981%0.805SS**  trans70.8129.4154-56.2172.2-9.900114.2
479S32.5Very low30.8Very low98 Ų98149.7 Ų149.769%0.68581%0.813SS**  cis-175.6158.724.743.80000108.8
480E30.2Very low31.1Very low174 Ų174158.8 Ų158.881%0.81385%0.85SS**  trans75.4100.7153.1-69.6168-171.200120.9
481T34.5Very low31.5Very low140 Ų140159.5 Ų159.586%0.85984%0.844SS**  -178.2156.1113.626.20000109
482P49.9Very low31.8Very low202 Ų202164.2 Ų164.2100%1.31286%0.86SS**  -59.40-126.930.1-37000118

Retrieved 482 of 482 residues in 1045.5 ms (Link to these results)

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