A0A087XRS3_POEFO Loading...

TNF receptor superfamily member 11b

AlphaFold DB , UniProt , Accession A0A087XRS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 411 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
1M39.6Very low46Very low242 Ų242148.3 Ų148.3100%1.19279%0.785SS**  0102.50-79.8170.2161.400107.9
2S31.6Very low46.9Very low125 Ų125147.7 Ų147.787%0.87478%0.778SS**  trans-116.5105.2169.8-74.50000108.4R4S2-R4 PolarHBondContact O-N 2.77Å
3T40.3Very low47.7Very low134 Ų134147.1 Ų147.182%0.82277%0.765SS**  trans-67.7118.5171.835.50000109.3
4R38.6Very low48.3Very low245 Ų245144 Ų14493%0.92575%0.749SS**  trans-85.3112.9168.4-75.9-171.8-169.6-170.83.7108.9S2 M6S2-R4 PolarHBondContact O-N 2.77Å; R4-M6 PolarHBondContact O-N 3.18Å
5I48.1Very low49.3Very low155 Ų155141.5 Ų141.580%0.79574%0.736SS**  trans-73.7117.3165.8-63.8170.7000107.6K7I5-K7 PolarHBondContact O-N 3.1Å
6M41.9Very low50.3Low186 Ų186138.3 Ų138.392%0.91672%0.723SS**  trans-71112.9173.4-107.8153.264.200109.7R4R4-M6 PolarHBondContact O-N 3.18Å
7K48.1Very low50.7Low203 Ų203136.9 Ų136.988%0.88372%0.716SS**PPolyproline II helixtrans-75.7120.2168.8-90.5179.3174177.80109.6I5 N9I5-K7 PolarHBondContact O-N 3.1Å; K7-N9 PolarHBondContact O-N 3.42Å
8S53.9Low51Low90 Ų90136.3 Ų136.363%0.62971%0.707SS**PPolyproline II helixtrans-60.3122.6173.4171.20000111
9N49.6Very low51.3Low102 Ų102133.3 Ų133.355%0.54570%0.695SS.*PPolyproline II helixtrans-82.4122.9-179.4-169.7-15.4000110.8K7 A11 M12K7-N9 PolarHBondContact O-N 3.42Å; N9-A11 PolarHBondContact O-N 3.25Å; N9-A11 PolarHBondContact OD1-N 3.13Å; N9-M12 WeakPolarHBondContact O-CB 3.4Å; N9-M12 PolarHBondContact O-N 2.75Å; N9-M12 VanDerWaalsContact O-N 3.1Å
10P57.8Low51.6Low99 Ų99129.1 Ų129.164%0.64368%0.681SS**Hα-helixtrans-60.8-24.5-178.723.7-34.4000114M12 K13 L14P10-M12 VanDerWaalsContact C-N 3.27Å; P10-M12 PolarHBondContact O-N 3.48Å; P10-K13 PolarHBondContact O-N 3.39Å; P10-L14 PolarHBondContact O-N 2.78Å
11A57.2Low51.9Low50 Ų50126.6 Ų126.641%0.41367%0.674SS.*Hα-helixtrans-63.1-32.6175.400000112.9N9 L14 I15N9-A11 PolarHBondContact O-N 3.25Å; N9-A11 PolarHBondContact OD1-N 3.13Å; A11-L14 PolarHBondContact O-N 2.81Å; A11-I15 WeakPolarHBondContact O-CD1 3.46Å; A11-I15 WeakPolarHBondContact O-CG1 3.41Å; A11-I15 PolarHBondContact O-N 3.27Å; A11-I15 VanDerWaalsContact O-N 3.15Å
12M56.6Low52.6Low141 Ų141121.6 Ų121.670%0.69565%0.646SS**Hα-helixtrans-71.7-31.1-179-165.2173-114.600112N9 P10 V16N9-M12 WeakPolarHBondContact O-CB 3.4Å; N9-M12 PolarHBondContact O-N 2.75Å; N9-M12 VanDerWaalsContact O-N 3.1Å; P10-M12 VanDerWaalsContact C-N 3.27Å; P10-M12 PolarHBondContact O-N 3.48Å; M12-V16 VanDerWaalsContact O-CG2 3.29Å; M12-V16 WeakPolarHBondContact O-CG2 3.45Å; M12-V16 PolarHBondContact O-N 2.04Å
13K56.4Low53.5Low140 Ų140119 Ų11961%0.60963%0.628SS**Hα-helixtrans-72.4-36.1174-70.8-173.8176.4-175.60112.2P10 V16 L17P10-K13 PolarHBondContact O-N 3.39Å; K13-V16 PolarHBondContact O-N 2.86Å; K13-L17 WeakPolarHBondContact O-CG 3.38Å; K13-L17 PolarHBondContact O-N 2.87Å; K13-L17 VanDerWaalsContact O-N 3.16Å
14L57.1Low53.9Low104 Ų104123 Ų12355%0.54563%0.628SS.*Hα-helixtrans-64-46.2176.5-130.185.6000111P10 A11 V16 L17 F18P10-L14 PolarHBondContact O-N 2.78Å; A11-L14 PolarHBondContact O-N 2.81Å; L14-V16 VanDerWaalsContact C-N 3.34Å; L14-V16 PolarHBondContact O-N 2.03Å; L14-L17 PolarHBondContact O-N 2.85Å; L14-F18 HydrophobicContact CD2-CD2 4.49Å; L14-F18 HydrophobicContact CD2-CE2 3.84Å; L14-F18 HydrophobicContact CG-CD2 4.38Å; L14-F18 HydrophobicContact CG-CE2 4.04Å; L14-F18 WeakPolarHBondContact O-CD2 3.05Å; L14-F18 PolarHBondContact O-N 2.81Å
15I63.6Low54.3Low107 Ų107114.9 Ų114.955%0.54961%0.613SS.*Hα-helixtrans-60.1-43.2178.9-67.7160.9000111.1A11 L17 F18 T19A11-I15 WeakPolarHBondContact O-CD1 3.46Å; A11-I15 WeakPolarHBondContact O-CG1 3.41Å; A11-I15 PolarHBondContact O-N 3.27Å; A11-I15 VanDerWaalsContact O-N 3.15Å; I15-L17 PolarHBondContact O-N 2.86Å; I15-F18 PolarHBondContact O-N 3.17Å; I15-T19 WeakPolarHBondContact O-CG2 3.38Å; I15-T19 PolarHBondContact O-N 2.88Å; I15-T19 PolarHBondContact O-OG1 2.86Å
16V64.1Low54.4Low89 Ų89115.9 Ų115.954%0.53961%0.612SS.*Hα-helixtrans-63.9-40.8178.61730000111.8M12 K13 L14 T19 A20M12-V16 VanDerWaalsContact O-CG2 3.29Å; M12-V16 WeakPolarHBondContact O-CG2 3.45Å; M12-V16 PolarHBondContact O-N 2.04Å; K13-V16 PolarHBondContact O-N 2.86Å; L14-V16 VanDerWaalsContact C-N 3.34Å; L14-V16 PolarHBondContact O-N 2.03Å; V16-T19 WeakPolarHBondContact CA-OG1 3.04Å; V16-T19 PolarHBondContact O-N 3.45Å; V16-T19 PolarHBondContact O-OG1 3.39Å; V16-A20 WeakPolarHBondContact O-CB 3.22Å; V16-A20 PolarHBondContact O-N 2.91Å
17L58.3Low54.7Low115 Ų115114.8 Ų114.860%0.60261%0.605SS**Hα-helixtrans-65-42.4175.1-72.2167.1000111.7K13 L14 I15 T19 A20 S21K13-L17 WeakPolarHBondContact O-CG 3.38Å; K13-L17 PolarHBondContact O-N 2.87Å; K13-L17 VanDerWaalsContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 2.85Å; I15-L17 PolarHBondContact O-N 2.86Å; L17-T19 PolarHBondContact O-N 3.09Å; L17-A20 PolarHBondContact O-N 2.84Å; L17-S21 PolarHBondContact O-N 2.74Å; L17-S21 PolarHBondContact O-OG 3.45Å
18F55.8Low54.9Low127 Ų127113.3 Ų113.356%0.55760%0.601SS**Hα-helixtrans-62.9-39.6175.6-84-69.8000112.7L14 I15 S21 F22L14-F18 HydrophobicContact CD2-CD2 4.49Å; L14-F18 HydrophobicContact CD2-CE2 3.84Å; L14-F18 HydrophobicContact CG-CD2 4.38Å; L14-F18 HydrophobicContact CG-CE2 4.04Å; L14-F18 WeakPolarHBondContact O-CD2 3.05Å; L14-F18 PolarHBondContact O-N 2.81Å; I15-F18 PolarHBondContact O-N 3.17Å; F18-S21 PolarHBondContact O-N 3.18Å; F18-F22 PolarHBondContact O-N 3.29Å; F18-F22 VanDerWaalsContact O-N 3.14Å
19T57.1Low55Low78 Ų78117.6 Ų117.648%0.47961%0.611SS.*Hα-helixtrans-68.7-33.4176.3530000113.1I15 V16 L17 S23I15-T19 WeakPolarHBondContact O-CG2 3.38Å; I15-T19 PolarHBondContact O-N 2.88Å; I15-T19 PolarHBondContact O-OG1 2.86Å; V16-T19 WeakPolarHBondContact CA-OG1 3.04Å; V16-T19 PolarHBondContact O-N 3.45Å; V16-T19 PolarHBondContact O-OG1 3.39Å; L17-T19 PolarHBondContact O-N 3.09Å; T19-S23 PolarHBondContact O-N 3.47Å; T19-S23 VanDerWaalsContact O-N 3.11Å; T19-S23 PolarHBondContact O-OG 3.15Å
20A57.1Low55.9Low49 Ų49117.3 Ų117.341%0.40562%0.615SS.*Hα-helixtrans-69.3-40.7176.100000111.8V16 L17 S23 W24V16-A20 WeakPolarHBondContact O-CB 3.22Å; V16-A20 PolarHBondContact O-N 2.91Å; L17-A20 PolarHBondContact O-N 2.84Å; A20-S23 PolarHBondContact O-N 2.88Å; A20-W24 PolarHBondContact O-N 2.82Å
21S57Low57.1Low77 Ų77118.7 Ų118.754%0.53862%0.621SS.*Hα-helixtrans-65.1-40.3176.6-51.40000112.6L17 F18 W24 A25L17-S21 PolarHBondContact O-N 2.74Å; L17-S21 PolarHBondContact O-OG 3.45Å; F18-S21 PolarHBondContact O-N 3.18Å; S21-W24 PolarHBondContact O-N 2.67Å; S21-A25 PolarHBondContact O-N 2.88Å
22F53.5Low58.6Low137 Ų137118.3 Ų118.360%0.60162%0.615SS**Hα-helixtrans-67.2-35.7175-98.6-83.5000112.4F18 W24 A25 F26F18-F22 PolarHBondContact O-N 3.29Å; F18-F22 VanDerWaalsContact O-N 3.14Å; F22-W24 VanDerWaalsContact C-N 3.28Å; F22-W24 PolarHBondContact O-N 3.49Å; F22-A25 PolarHBondContact O-N 2.87Å; F22-F26 HydrophobicContact CD1-CE2 4.15Å; F22-F26 WeakPolarHBondContact O-CD2 3.26Å; F22-F26 PolarHBondContact O-N 2.87Å
23S52.3Low60.4Low72 Ų72114 Ų11450%0.50360%0.597SS.*Hα-helixtrans-65.4-31.8176.8-56.10000112.3T19 A20T19-S23 PolarHBondContact O-N 3.47Å; T19-S23 VanDerWaalsContact O-N 3.11Å; T19-S23 PolarHBondContact O-OG 3.15Å; A20-S23 PolarHBondContact O-N 2.88Å
24W47.6Very low62.3Low218 Ų218113 Ų11383%0.82659%0.593SS**Hα-helixtrans-75.9-32.3174.8-84.850.3000113.1A20 S21 F22 F26 Q27A20-W24 PolarHBondContact O-N 2.82Å; S21-W24 PolarHBondContact O-N 2.67Å; F22-W24 VanDerWaalsContact C-N 3.28Å; F22-W24 PolarHBondContact O-N 3.49Å; W24-F26 VanDerWaalsContact C-N 3.28Å; W24-F26 PolarHBondContact O-N 2.76Å; W24-Q27 PolarHBondContact O-N 2.79Å
25A48.2Very low64.2Low74 Ų74109 Ų10961%0.61257%0.57SS**Hα-helixtrans-70.7-21.3176.800000113.6S21 F22S21-A25 PolarHBondContact O-N 2.88Å; F22-A25 PolarHBondContact O-N 2.87Å
26F49.4Very low65.8Low176 Ų176111.8 Ų111.877%0.77258%0.581SS**THydrogen-bonded Turntrans-93.46.4178.1-87.8-81.1000114.3F22 W24F22-F26 HydrophobicContact CD1-CE2 4.15Å; F22-F26 WeakPolarHBondContact O-CD2 3.26Å; F22-F26 PolarHBondContact O-N 2.87Å; W24-F26 VanDerWaalsContact C-N 3.28Å; W24-F26 PolarHBondContact O-N 2.76Å
27Q47.4Very low67.3Low162 Ų162110 Ų11076%0.75757%0.565SS**  trans-10924.5-177.1-155.9151.4-12.700113.8W24W24-Q27 PolarHBondContact O-N 2.79Å
28E52.1Low69Low172 Ų172112.3 Ų112.380%0.80457%0.566SS**  trans-85.1110.5160.3-75.8-176.9165.900108.5
29Q56.6Low70.8Confident180 Ų180107.4 Ų107.484%0.84155%0.546SS*.  trans-60.4127.8164.4-75.1-164.5-47.600107.9V31Q29-V31 PolarHBondContact O-N 3.45Å
30P68Low72.4Confident96 Ų96108.4 Ų108.462%0.62355%0.554SS**  trans-61.9114.7179.523-30.4000108.7P32 W81P30-P32 WeakPolarHBondContact O-CD 3.21Å; P30-W81 HydrophobicContact CB-CZ2 4.44Å
31V83.9Confident74Confident129 Ų129112.2 Ų112.278%0.78257%0.572SS**PPolyproline II helixtrans-62.8121.1173.4179.50000107.3Q29Q29-V31 PolarHBondContact O-N 3.45Å
32P88.7Confident75.7Confident42 Ų42111.9 Ų111.927%0.27357%0.566SS.*PPolyproline II helixtrans-65.1130.3-175.324.2-32.2000110.2P30 D49 W81P30-P32 WeakPolarHBondContact O-CD 3.21Å; P32-D49 HydrophobicContact CB-CB 4.08Å; P32-D49 HydrophobicContact CG-CB 4.08Å; P32-W81 HydrophobicContact CB-CE3 4.29Å; P32-W81 HydrophobicContact CB-CH2 3.78Å; P32-W81 HydrophobicContact CB-CZ3 3.49Å; P32-W81 VanDerWaalsContact CB-CZ3 3.49Å
33P95.1Very high77.5Confident50 Ų50108.6 Ų108.633%0.32556%0.56SS.*PPolyproline II helixtrans-57.8151.5171.6-22.133.8000110.5Q50 W81P33-Q50 HydrophobicContact CB-CG 4.34Å; P33-Q50 VanDerWaalsContact O-CB 3.31Å; P33-Q50 WeakPolarHBondContact O-CB 3.22Å; P33-Q50 VanDerWaalsContact O-CG 3.3Å; P33-Q50 WeakPolarHBondContact O-CG 3.03Å; P33-Q50 PolarHBondContact O-N 3.08Å; P33-W81 VanDerWaalsContact CD-CD2 3.43Å; P33-W81 HydrophobicContact CG-CB 3.93Å; P33-W81 HydrophobicContact CG-CD2 4.09Å; P33-W81 HydrophobicContact CG-CG 3.83Å
34K96Very high79.5Confident119 Ų119110.7 Ų110.752%0.51756%0.562SS.*EExtended strand (participates in β ladder)trans-107.6159.1-178.9-58-158178.6-130.30112.8S47 C48 D49 Q50K34-S47 WeakPolarHBondContact CD-OG 3.34Å; K34-C48 CarbonylContact C-O 3.55Å; K34-C48 WeakPolarHBondContact CA-O 3.17Å; K34-C48 WeakPolarHBondContact CB-O 3.46Å; K34-D49 WeakPolarHBondContact CE-OD1 3.49Å; K34-D49 IonicContact NZ-OD1 2.8Å; K34-D49 PolarHBondContact NZ-OD1 3.1Å; K34-Q50 PolarHBondContact O-NE2 2.04Å; K34-Q50 VanDerWaalsContact O-NE2 3.08Å
35Y96.2Very high81.7Confident19 Ų19104.6 Ų104.68%0.07555%0.549CS..EExtended strand (participates in β ladder)trans-138.4157.3171.175.7-78.7000110.3Y37 C48 D49 Q50 H60 W83Y35-Y37 HydrophobicContact CE2-CD2 4.45Å; Y35-Y37 HydrophobicContact CE2-CG 4.43Å; Y35-C48 HydrophobicContact CD1-CB 3.9Å; Y35-C48 WeakPolarHBondContact CD1-O 3.17Å; Y35-C48 HydrophobicContact CE1-CB 3.35Å; Y35-C48 HydrophobicContact CE2-CB 4.26Å; Y35-C48 PolarHBondContact N-O 3.01Å; Y35-C48 PolarHBondContact O-N 2.86Å; Y35-D49 WeakPolarHBondContact CE1-O 3.05Å; Y35-Q50 HydrophobicContact CD1-CG 3.79Å; Y35-Q50 HydrophobicContact CG-CG 4.41Å; Y35-H60 AromaticContact CE2-ND1 3.9Å; Y35-H60 AromaticContact CZ-ND1 3.68Å; Y35-H60 PolarHBondContact OH-ND1 2.84Å; Y35-W83 HydrophobicContact CD1-CB 3.55Å; Y35-W83 HydrophobicContact CD1-CG 4.41Å; Y35-W83 HydrophobicContact CD2-CB 3.54Å; Y35-W83 AromaticContact CD2-CG 3.8Å; Y35-W83 HydrophobicContact CD2-CG 3.8Å; Y35-W83 HydrophobicContact CE1-CB 3.76Å; Y35-W83 HydrophobicContact CE2-CB 3.78Å; Y35-W83 HydrophobicContact CE2-CG 4.37Å; Y35-W83 HydrophobicContact CG-CB 3.44Å; Y35-W83 VanDerWaalsContact CG-CB 3.44Å; Y35-W83 HydrophobicContact CG-CD2 4.32Å; Y35-W83 AromaticContact CG-CG 3.84Å; Y35-W83 HydrophobicContact CG-CG 3.84Å
36Q96.6Very high83.9Confident166 Ų166102.3 Ų102.378%0.77653%0.525SS*.EExtended strand (participates in β ladder)trans-90.6127.3176.1-68.4-174.2-8.700110.1V45 H46Q36-V45 HydrophobicContact CB-CG1 4.14Å; Q36-V45 HydrophobicContact CG-CG1 4.45Å; Q36-H46 WeakPolarHBondContact CA-O 3.16Å
37Y95.8Very high86.1Confident53 Ų5397.7 Ų97.721%0.20852%0.515CS..EExtended strand (participates in β ladder)trans-121.4132.7176179.2-114.4000110.1Y35 D39 P40 V45 H46 H60Y35-Y37 HydrophobicContact CE2-CD2 4.45Å; Y35-Y37 HydrophobicContact CE2-CG 4.43Å; Y37-D39 HydrophobicContact CE1-CB 4.46Å; Y37-P40 WeakPolarHBondContact OH-CD 3.19Å; Y37-V45 CarbonylContact O-C 3.57Å; Y37-V45 WeakPolarHBondContact O-CA 3.09Å; Y37-H46 PolarHBondContact N-O 2.91Å; Y37-H46 PolarHBondContact O-N 3.19Å; Y37-H60 HydrophobicContact CD1-CB 3.53Å; Y37-H60 HydrophobicContact CD2-CB 4.02Å; Y37-H60 AromaticContact CD2-CD2 3.83Å; Y37-H60 AromaticContact CD2-CG 3.62Å; Y37-H60 AromaticContact CD2-ND1 3.79Å; Y37-H60 HydrophobicContact CE1-CB 3.41Å; Y37-H60 VanDerWaalsContact CE1-CB 3.41Å; Y37-H60 AromaticContact CE1-CG 3.9Å; Y37-H60 HydrophobicContact CE2-CB 3.92Å; Y37-H60 AromaticContact CE2-CD2 3.16Å; Y37-H60 WeakPolarHBondContact CE2-CD2 3.44Å; Y37-H60 AromaticContact CE2-CE1 3.99Å; Y37-H60 AromaticContact CE2-CG 3.41Å; Y37-H60 VanDerWaalsContact CE2-CG 3.41Å; Y37-H60 AromaticContact CE2-ND1 3.93Å; Y37-H60 AromaticContact CE2-NE2 3.56Å; Y37-H60 HydrophobicContact CG-CB 3.83Å; Y37-H60 AromaticContact CG-CG 3.95Å; Y37-H60 AromaticContact CZ-CD2 3.3Å; Y37-H60 AromaticContact CZ-CG 3.55Å; Y37-H60 PolarHBondContact OH-CD2 3.31Å
38R95.6Very high88.5Confident162 Ų16290 Ų9061%0.61148%0.479SS*.EExtended strand (participates in β ladder)trans-99.1115.4172.5-170.1177.9-173-156.2-0.7109.1P40 S43 Q44 V45R38-P40 WeakPolarHBondContact O-CD 3.4Å; R38-S43 PolarHBondContact NE-O 2.8Å; R38-Q44 CarbonylContact C-O 3.41Å; R38-Q44 WeakPolarHBondContact CA-O 3.34Å; R38-V45 HydrophobicContact CB-CG2 4.35Å; R38-V45 HydrophobicContact CG-CG2 4.24Å
39D91.8Very high90.6Very high25 Ų2584.1 Ų84.113%0.13445%0.453CS..  trans-63.3121.3177.6176.1-7.8000109.6Y37 V41 T42 S43 Q44Y37-D39 HydrophobicContact CE1-CB 4.46Å; D39-V41 PolarHBondContact O-N 2.9Å; D39-V41 WeakPolarHBondContact OD1-CB 3.39Å; D39-V41 PolarHBondContact OD1-N 2.02Å; D39-T42 WeakPolarHBondContact CB-OG1 3.07Å; D39-T42 PolarHBondContact OD1-N 2.97Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.32Å; D39-T42 PolarHBondContact OD2-OG1 2.83Å; D39-S43 WeakPolarHBondContact O-CA 3.3Å; D39-S43 PolarHBondContact O-N 2.78Å; D39-Q44 PolarHBondContact N-O 3.27Å
40P91.3Very high92.5Very high99 Ų9976.6 Ų76.664%0.64342%0.418SS*.THydrogen-bonded Turntrans-66.2-21-178.426.4-34.6000113.5Y37 R38Y37-P40 WeakPolarHBondContact OH-CD 3.19Å; R38-P40 WeakPolarHBondContact O-CD 3.4Å
41V91.4Very high93.9Very high129 Ų12972 Ų7278%0.78239%0.388SS*.THydrogen-bonded Turntrans-87.6-50.8-179.4-176.40000110.8D39D39-V41 PolarHBondContact O-N 2.9Å; D39-V41 WeakPolarHBondContact OD1-CB 3.39Å; D39-V41 PolarHBondContact OD1-N 2.02Å
42T92.7Very high94.5Very high70 Ų7068.1 Ų68.143%0.42937%0.365SS..THydrogen-bonded Turntrans-93.4-11.8-174.764.70000113.7D39 Q44D39-T42 WeakPolarHBondContact CB-OG1 3.07Å; D39-T42 PolarHBondContact OD1-N 2.97Å; D39-T42 WeakPolarHBondContact OD2-CG2 3.32Å; D39-T42 PolarHBondContact OD2-OG1 2.83Å; T42-Q44 PolarHBondContact O-N 3.31Å; T42-Q44 VanDerWaalsContact O-N 3.09Å; T42-Q44 PolarHBondContact OG1-N 2.83Å
43S91.8Very high95Very high67 Ų6768.3 Ų68.347%0.46937%0.367SS..  trans60.17-172-72.50000115.4R38 D39R38-S43 PolarHBondContact NE-O 2.8Å; D39-S43 WeakPolarHBondContact O-CA 3.3Å; D39-S43 PolarHBondContact O-N 2.78Å
44Q92.9Very high95.1Very high116 Ų11666.2 Ų66.254%0.54235%0.354SS..  trans-76.8152.4176.9-65.3-173.9100111.4R38 D39 T42R38-Q44 CarbonylContact C-O 3.41Å; R38-Q44 WeakPolarHBondContact CA-O 3.34Å; D39-Q44 PolarHBondContact N-O 3.27Å; T42-Q44 PolarHBondContact O-N 3.31Å; T42-Q44 VanDerWaalsContact O-N 3.09Å; T42-Q44 PolarHBondContact OG1-N 2.83Å
45V95.1Very high95.2Very high90 Ų9061.9 Ų61.955%0.54534%0.338SS..EExtended strand (participates in β ladder)trans-103.9125177.3-179.20000109.4Q36 Y37 R38Q36-V45 HydrophobicContact CB-CG1 4.14Å; Q36-V45 HydrophobicContact CG-CG1 4.45Å; Y37-V45 CarbonylContact O-C 3.57Å; Y37-V45 WeakPolarHBondContact O-CA 3.09Å; R38-V45 HydrophobicContact CB-CG2 4.35Å; R38-V45 HydrophobicContact CG-CG2 4.24Å
46H94.2Very high95.3Very high26 Ų2661.1 Ų61.112%0.1234%0.335CS..EExtended strand (participates in β ladder)trans-111.7148.8177.8-57.1-63.9000111Q36 Y37Q36-H46 WeakPolarHBondContact CA-O 3.16Å; Y37-H46 PolarHBondContact N-O 2.91Å; Y37-H46 PolarHBondContact O-N 3.19Å
47S95.9Very high95.3Very high79 Ų7953.4 Ų53.455%0.55230%0.3SS*.EExtended strand (participates in β ladder)trans-95.998.2170.6-173.20000108.8K34K34-S47 WeakPolarHBondContact CD-OG 3.34Å
48C96.2Very high95.4Very high2 Ų256.6 Ų56.61%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-96.6150.3-174.5-61.30000111.2K34 Y35 C61K34-C48 CarbonylContact C-O 3.55Å; K34-C48 WeakPolarHBondContact CA-O 3.17Å; K34-C48 WeakPolarHBondContact CB-O 3.46Å; Y35-C48 HydrophobicContact CD1-CB 3.9Å; Y35-C48 WeakPolarHBondContact CD1-O 3.17Å; Y35-C48 HydrophobicContact CE1-CB 3.35Å; Y35-C48 HydrophobicContact CE2-CB 4.26Å; Y35-C48 PolarHBondContact N-O 3.01Å; Y35-C48 PolarHBondContact O-N 2.86Å; C48-C61 WeakPolarHBondContact CA-SG 3.35Å; C48-C61 HydrophobicContact CB-CB 3.72Å; C48-C61 WeakPolarHBondContact CB-SG 3.07Å; C48-C61 WeakPolarHBondContact SG-CB 3.35Å; C48-C61 CovalentContact SG-SG 2.03Å; C48-C61 PolarHBondContact SG-SG 2.93Å
49D96.6Very high95.5Very high48 Ų4854.2 Ų54.226%0.25731%0.306SS..EExtended strand (participates in β ladder)trans-78.3140.5173-61.5-17.3000109.7P32 K34 Y35 T67P32-D49 HydrophobicContact CB-CB 4.08Å; P32-D49 HydrophobicContact CG-CB 4.08Å; K34-D49 WeakPolarHBondContact CE-OD1 3.49Å; K34-D49 IonicContact NZ-OD1 2.8Å; K34-D49 PolarHBondContact NZ-OD1 3.1Å; Y35-D49 WeakPolarHBondContact CE1-O 3.05Å; D49-T67 PolarHBondContact N-OG1 3.16Å; D49-T67 WeakPolarHBondContact O-CB 3.32Å; D49-T67 PolarHBondContact O-OG1 3.05Å
50Q97.3Very high95.7Very high22 Ų2255.4 Ų55.410%0.10331%0.31CS..PPolyproline II helixtrans-73.5161.5176.2-67.7-177.334.900111.2P33 K34 Y35 W81 W83P33-Q50 HydrophobicContact CB-CG 4.34Å; P33-Q50 VanDerWaalsContact O-CB 3.31Å; P33-Q50 WeakPolarHBondContact O-CB 3.22Å; P33-Q50 VanDerWaalsContact O-CG 3.3Å; P33-Q50 WeakPolarHBondContact O-CG 3.03Å; P33-Q50 PolarHBondContact O-N 3.08Å; K34-Q50 PolarHBondContact O-NE2 2.04Å; K34-Q50 VanDerWaalsContact O-NE2 3.08Å; Y35-Q50 HydrophobicContact CD1-CG 3.79Å; Y35-Q50 HydrophobicContact CG-CG 4.41Å; Q50-W81 HydrophobicContact CB-CB 4.31Å; Q50-W81 HydrophobicContact CB-CE3 4.17Å; Q50-W81 WeakPolarHBondContact O-CZ3 3.38Å; Q50-W81 PolarHBondContact OE1-O 2.8Å; Q50-W83 HydrophobicContact CG-CE3 4.02Å
51C97.3Very high95.9Very high0 Ų051.2 Ų51.20%028%0.283CS..BIsolated β-bridgetrans-85.1140.1173-72.70000111T55 V57 C69 W81 H82C51-T55 WeakPolarHBondContact CB-OG1 3.22Å; C51-V57 HydrophobicContact CB-CG2 4.46Å; C51-C69 WeakPolarHBondContact CA-SG 3.45Å; C51-C69 HydrophobicContact CB-CB 3.89Å; C51-C69 WeakPolarHBondContact CB-SG 3.46Å; C51-C69 VanDerWaalsContact SG-CA 3.59Å; C51-C69 WeakPolarHBondContact SG-CB 3.44Å; C51-C69 CovalentContact SG-SG 2.04Å; C51-C69 PolarHBondContact SG-SG 2.77Å; C51-W81 VanDerWaalsContact O-CA 3.27Å; C51-W81 WeakPolarHBondContact O-CA 3.35Å; C51-H82 PolarHBondContact N-O 3.41Å; C51-H82 PolarHBondContact O-N 3.18Å; C51-H82 VanDerWaalsContact O-N 3.1Å
52P97.2Very high95.9Very high46 Ų4647.6 Ų47.630%0.29926%0.261SS..PPolyproline II helixtrans-70.7164.1179.829.1-35.9000112.4G54 T55 W81P52-G54 PolarHBondContact O-N 3.42Å; P52-T55 VanDerWaalsContact CD-OG1 3.22Å; P52-T55 WeakPolarHBondContact CD-OG1 3.12Å; P52-T55 HydrophobicContact CG-CG2 4.33Å; P52-T55 WeakPolarHBondContact CG-OG1 3.37Å; P52-T55 PolarHBondContact O-N 3.45Å; P52-T55 PolarHBondContact O-OG1 2.95Å; P52-W81 HydrophobicContact CB-CD2 4.35Å; P52-W81 HydrophobicContact CB-CE3 4.12Å; P52-W81 HydrophobicContact CB-CH2 3.81Å; P52-W81 HydrophobicContact CB-CZ2 4.03Å; P52-W81 HydrophobicContact CB-CZ3 3.85Å; P52-W81 HydrophobicContact CG-CZ3 4.43Å
53P97.8Very high95.7Very high47 Ų4747.8 Ų47.831%0.30527%0.27SS..THydrogen-bonded Turntrans-49138.8169.3-26.734.9000111.7A78 E79 T107P53-A78 CarbonylContact C-O 3.48Å; P53-A78 WeakPolarHBondContact CA-O 3.38Å; P53-A78 WeakPolarHBondContact CB-O 3.19Å; P53-E79 WeakPolarHBondContact CB-O 3.16Å; P53-E79 VanDerWaalsContact CG-O 3.26Å; P53-E79 WeakPolarHBondContact CG-O 3.06Å; P53-T107 HydrophobicContact CB-CG2 4.34Å
54G97.7Very high95.7Very high6 Ų651.8 Ų51.86%0.06229%0.286CS..THydrogen-bonded Turntrans93.2-6.5-17400000115.9P52 C72 A78 S106P52-G54 PolarHBondContact O-N 3.42Å; G54-C72 VanDerWaalsContact C-SG 3.5Å; G54-C72 PolarHBondContact O-N 3.4Å; G54-C72 PolarHBondContact O-SG 3.2Å; G54-A78 PolarHBondContact N-O 3.1Å; G54-S106 WeakPolarHBondContact CA-O 3.42Å
55T98.1Very high95.8Very high27 Ų2748.5 Ų48.517%0.16627%0.274CS..EExtended strand (participates in β ladder)trans-140.4152.9-172.367.90000112.6C51 P52 Q70 H82C51-T55 WeakPolarHBondContact CB-OG1 3.22Å; P52-T55 VanDerWaalsContact CD-OG1 3.22Å; P52-T55 WeakPolarHBondContact CD-OG1 3.12Å; P52-T55 HydrophobicContact CG-CG2 4.33Å; P52-T55 WeakPolarHBondContact CG-OG1 3.37Å; P52-T55 PolarHBondContact O-N 3.45Å; P52-T55 PolarHBondContact O-OG1 2.95Å; T55-Q70 CarbonylContact C-O 3.41Å; T55-Q70 WeakPolarHBondContact CA-O 3.4Å; T55-Q70 WeakPolarHBondContact CB-O 3.26Å; T55-H82 PolarHBondContact O-NE2 2.05Å
56S97.8Very high95.8Very high4 Ų448.7 Ų48.73%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-117.6165.1170.274.30000111.9K58 C69 Q70 D85S56-K58 PolarHBondContact O-N 3Å; S56-C69 CarbonylContact O-C 3.49Å; S56-C69 VanDerWaalsContact O-CA 3.3Å; S56-C69 WeakPolarHBondContact O-CA 3.49Å; S56-Q70 PolarHBondContact N-O 3.37Å; S56-Q70 PolarHBondContact O-N 3.11Å; S56-D85 WeakPolarHBondContact CB-O 3.36Å; S56-D85 PolarHBondContact OG-O 2.99Å
57V98Very high95.9Very high4 Ų448.4 Ų48.42%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-70.1119.3176.6-179.20000109.7C51 T67 G84 D85C51-V57 HydrophobicContact CB-CG2 4.46Å; V57-T67 HydrophobicContact CG1-CG2 4.01Å; V57-T67 HydrophobicContact CG2-CG2 4.13Å; V57-G84 PolarHBondContact N-O 3.2Å; V57-D85 WeakPolarHBondContact O-CA 3.5Å
58K97.6Very high96Very high120 Ų12047.7 Ų47.752%0.52227%0.265SS..EExtended strand (participates in β ladder)trans-88.2-40.5169.4-176.3177.2165.8-153.10111.2S56 E68 Q70S56-K58 PolarHBondContact O-N 3Å; K58-E68 HydrophobicContact CB-CG 4.47Å; K58-E68 WeakPolarHBondContact CB-O 3.45Å; K58-E68 HydrophobicContact CD-CG 4.45Å; K58-E68 WeakPolarHBondContact CD-OE1 3.08Å; K58-E68 WeakPolarHBondContact CE-OE1 3.06Å; K58-E68 PolarHBondContact N-O 2.99Å; K58-E68 IonicContact NZ-OE1 3.95Å; K58-E68 PolarHBondContact NZ-OE1 3.22Å; K58-Q70 HydrophobicContact CB-CB 4Å; K58-Q70 HydrophobicContact CB-CG 3.9Å; K58-Q70 HydrophobicContact CD-CB 4.21Å
59R96.3Very high96.1Very high112 Ų11250 Ų5042%0.42328%0.28SS..EExtended strand (participates in β ladder)trans-147.8129.4178.2-168.3169.16192.22.5109.8T65 E68R59-T65 PolarHBondContact NH1-OG1 3.37Å; R59-E68 HydrophobicContact CB-CB 3.94Å; R59-E68 IonicContact CZ-OE2 3.8Å; R59-E68 PolarHBondContact N-O 3.18Å; R59-E68 IonicContact NE-OE2 3.17Å; R59-E68 PolarHBondContact NE-OE2 3.31Å; R59-E68 VanDerWaalsContact NE-OE2 3.13Å; R59-E68 IonicContact NH2-OE2 3.52Å; R59-E68 PolarHBondContact O-N 2.82Å
60H96.5Very high96.2Very high50 Ų5051.2 Ų51.223%0.23129%0.285CS..  trans-67.7157.1176.2-59.7-70.8000111.4Y35 Y37Y35-H60 AromaticContact CE2-ND1 3.9Å; Y35-H60 AromaticContact CZ-ND1 3.68Å; Y35-H60 PolarHBondContact OH-ND1 2.84Å; Y37-H60 HydrophobicContact CD1-CB 3.53Å; Y37-H60 HydrophobicContact CD2-CB 4.02Å; Y37-H60 AromaticContact CD2-CD2 3.83Å; Y37-H60 AromaticContact CD2-CG 3.62Å; Y37-H60 AromaticContact CD2-ND1 3.79Å; Y37-H60 HydrophobicContact CE1-CB 3.41Å; Y37-H60 VanDerWaalsContact CE1-CB 3.41Å; Y37-H60 AromaticContact CE1-CG 3.9Å; Y37-H60 HydrophobicContact CE2-CB 3.92Å; Y37-H60 AromaticContact CE2-CD2 3.16Å; Y37-H60 WeakPolarHBondContact CE2-CD2 3.44Å; Y37-H60 AromaticContact CE2-CE1 3.99Å; Y37-H60 AromaticContact CE2-CG 3.41Å; Y37-H60 VanDerWaalsContact CE2-CG 3.41Å; Y37-H60 AromaticContact CE2-ND1 3.93Å; Y37-H60 AromaticContact CE2-NE2 3.56Å; Y37-H60 HydrophobicContact CG-CB 3.83Å; Y37-H60 AromaticContact CG-CG 3.95Å; Y37-H60 AromaticContact CZ-CD2 3.3Å; Y37-H60 AromaticContact CZ-CG 3.55Å; Y37-H60 PolarHBondContact OH-CD2 3.31Å
61C95.5Very high96.2Very high10 Ų1055.1 Ų55.17%0.06831%0.312CS..  trans-64.8153176.387.60000111.7C48 T65C48-C61 WeakPolarHBondContact CA-SG 3.35Å; C48-C61 HydrophobicContact CB-CB 3.72Å; C48-C61 WeakPolarHBondContact CB-SG 3.07Å; C48-C61 WeakPolarHBondContact SG-CB 3.35Å; C48-C61 CovalentContact SG-SG 2.03Å; C48-C61 PolarHBondContact SG-SG 2.93Å; C61-T65 CarbonylContact C-O 3.53Å; C61-T65 WeakPolarHBondContact CA-O 3.05Å; C61-T65 VanDerWaalsContact CB-O 3.26Å; C61-T65 WeakPolarHBondContact CB-O 3.5Å
62T92.6Very high96.2Very high53 Ų5355.9 Ų55.933%0.32532%0.317SS..  trans-115.3-174.7167.366.30000109D64 T65T62-D64 PolarHBondContact O-N 3Å; T62-D64 PolarHBondContact OG1-N 3.12Å; T62-T65 PolarHBondContact N-O 3.21Å; T62-T65 PolarHBondContact OG1-N 2.77Å; T62-T65 VanDerWaalsContact OG1-N 3.1Å; T62-T65 PolarHBondContact OG1-OG1 3.38Å
63A88.6Confident96.2Very high74 Ų7457.3 Ų57.361%0.61233%0.327SS*.SBendtrans-56-33.8172.700000113
64D91.1Very high96Very high152 Ų15263.6 Ų63.681%0.81335%0.352SS*.SBendtrans-112.9-14.3-172.2-53.8-53.8000114.1T62T62-D64 PolarHBondContact O-N 3Å; T62-D64 PolarHBondContact OG1-N 3.12Å
65T93.8Very high95.9Very high46 Ų4671.4 Ų71.428%0.28238%0.38SS..SBendtrans-121.9134.2-176.664.60000111.6R59 C61 T62R59-T65 PolarHBondContact NH1-OG1 3.37Å; C61-T65 CarbonylContact C-O 3.53Å; C61-T65 WeakPolarHBondContact CA-O 3.05Å; C61-T65 VanDerWaalsContact CB-O 3.26Å; C61-T65 WeakPolarHBondContact CB-O 3.5Å; T62-T65 PolarHBondContact N-O 3.21Å; T62-T65 PolarHBondContact OG1-N 2.77Å; T62-T65 VanDerWaalsContact OG1-N 3.1Å; T62-T65 PolarHBondContact OG1-OG1 3.38Å
66P95.6Very high95.9Very high95 Ų9572.6 Ų72.662%0.61738%0.383SS*.PPolyproline II helixtrans-71.5169.8176.832.2-36000111.2E68P66-E68 PolarHBondContact O-N 3.4Å
67T96.8Very high95.8Very high20 Ų2073 Ų7312%0.12338%0.384CS..PPolyproline II helixtrans-59.1130.9172.1-500000110.2D49 V57D49-T67 PolarHBondContact N-OG1 3.16Å; D49-T67 WeakPolarHBondContact O-CB 3.32Å; D49-T67 PolarHBondContact O-OG1 3.05Å; V57-T67 HydrophobicContact CG1-CG2 4.01Å; V57-T67 HydrophobicContact CG2-CG2 4.13Å
68E97.8Very high95.8Very high64 Ų6473 Ų7330%0.29939%0.385SS..EExtended strand (participates in β ladder)trans-97.3119.9174.3-168.6-177.9157.600109K58 R59 P66K58-E68 HydrophobicContact CB-CG 4.47Å; K58-E68 WeakPolarHBondContact CB-O 3.45Å; K58-E68 HydrophobicContact CD-CG 4.45Å; K58-E68 WeakPolarHBondContact CD-OE1 3.08Å; K58-E68 WeakPolarHBondContact CE-OE1 3.06Å; K58-E68 PolarHBondContact N-O 2.99Å; K58-E68 IonicContact NZ-OE1 3.95Å; K58-E68 PolarHBondContact NZ-OE1 3.22Å; R59-E68 HydrophobicContact CB-CB 3.94Å; R59-E68 IonicContact CZ-OE2 3.8Å; R59-E68 PolarHBondContact N-O 3.18Å; R59-E68 IonicContact NE-OE2 3.17Å; R59-E68 PolarHBondContact NE-OE2 3.31Å; R59-E68 VanDerWaalsContact NE-OE2 3.13Å; R59-E68 IonicContact NH2-OE2 3.52Å; R59-E68 PolarHBondContact O-N 2.82Å; P66-E68 PolarHBondContact O-N 3.4Å
69C98Very high95.8Very high49 Ų4973.1 Ų73.133%0.33139%0.387SS..EExtended strand (participates in β ladder)trans-103.7147.1179-55.10000111C51 S56C51-C69 WeakPolarHBondContact CA-SG 3.45Å; C51-C69 HydrophobicContact CB-CB 3.89Å; C51-C69 WeakPolarHBondContact CB-SG 3.46Å; C51-C69 VanDerWaalsContact SG-CA 3.59Å; C51-C69 WeakPolarHBondContact SG-CB 3.44Å; C51-C69 CovalentContact SG-SG 2.04Å; C51-C69 PolarHBondContact SG-SG 2.77Å; S56-C69 CarbonylContact O-C 3.49Å; S56-C69 VanDerWaalsContact O-CA 3.3Å; S56-C69 WeakPolarHBondContact O-CA 3.49Å
70Q98Very high95.8Very high74 Ų7473.2 Ų73.235%0.34640%0.396SS..EExtended strand (participates in β ladder)trans-123.5147.6174.962-173.9-18.700110.7T55 S56 K58T55-Q70 CarbonylContact C-O 3.41Å; T55-Q70 WeakPolarHBondContact CA-O 3.4Å; T55-Q70 WeakPolarHBondContact CB-O 3.26Å; S56-Q70 PolarHBondContact N-O 3.37Å; S56-Q70 PolarHBondContact O-N 3.11Å; K58-Q70 HydrophobicContact CB-CB 4Å; K58-Q70 HydrophobicContact CB-CG 3.9Å; K58-Q70 HydrophobicContact CD-CB 4.21Å
71P98.1Very high95.8Very high104 Ų10474.8 Ų74.868%0.67540%0.4SS*.EExtended strand (participates in β ladder)trans-63.2147.2178.627.3-34.8000111.4
72C98.1Very high95.8Very high16 Ų1676.1 Ų76.111%0.10841%0.405CS..PPolyproline II helixtrans-59.8136.1172.8-66.10000110.6G54 H76 C87G54-C72 VanDerWaalsContact C-SG 3.5Å; G54-C72 PolarHBondContact O-N 3.4Å; G54-C72 PolarHBondContact O-SG 3.2Å; C72-H76 HydrophobicContact CB-CB 4.34Å; C72-H76 WeakPolarHBondContact CB-O 3.46Å; C72-C87 WeakPolarHBondContact CA-SG 3.41Å; C72-C87 HydrophobicContact CB-CB 3.75Å; C72-C87 WeakPolarHBondContact CB-SG 3.34Å; C72-C87 WeakPolarHBondContact SG-CB 3.13Å; C72-C87 CovalentContact SG-SG 2.04Å; C72-C87 PolarHBondContact SG-SG 3.28Å
73P96.4Very high96Very high77 Ų7780.5 Ų80.550%0.542%0.416SS..PPolyproline II helixtrans-67.6169.4174.628-32.7000111.2R75 H76P73-R75 PolarHBondContact O-N 3.32Å; P73-H76 HydrophobicContact CG-CB 4.09Å; P73-H76 PolarHBondContact O-N 3.43Å; P73-H76 VanDerWaalsContact O-N 3.15Å
74E94.7Very high96.4Very high179 Ų17978.1 Ų78.184%0.83640%0.398SS*.THydrogen-bonded Turntrans-53.1142.2176.6-68.3-172.117800111.7H76E74-H76 PolarHBondContact O-N 2.87Å; E74-H76 PolarHBondContact O-ND1 3.42Å
75R94.5Very high96.6Very high170 Ų17075.8 Ų75.864%0.64239%0.386SS*.THydrogen-bonded Turntrans61.323.2-177-51.6-178.1179.6175.4-0.3114.9P73 Y89 C90P73-R75 PolarHBondContact O-N 3.32Å; R75-Y89 HydrophobicContact CB-CE2 3.92Å; R75-Y89 WeakPolarHBondContact O-CD2 3.27Å; R75-C90 WeakPolarHBondContact O-CB 3.31Å; R75-C90 PolarHBondContact O-N 3.17Å
76H97.2Very high96.8Very high52 Ų5278.3 Ų78.324%0.24140%0.401CS..EExtended strand (participates in β ladder)trans-130.4154.8172.6-61.571.8000111.6C72 P73 E74 C87 Q88 Y89C72-H76 HydrophobicContact CB-CB 4.34Å; C72-H76 WeakPolarHBondContact CB-O 3.46Å; P73-H76 HydrophobicContact CG-CB 4.09Å; P73-H76 PolarHBondContact O-N 3.43Å; P73-H76 VanDerWaalsContact O-N 3.15Å; E74-H76 PolarHBondContact O-N 2.87Å; E74-H76 PolarHBondContact O-ND1 3.42Å; H76-C87 HydrophobicContact CB-CB 3.71Å; H76-Q88 CarbonylContact C-O 3.55Å; H76-Q88 WeakPolarHBondContact CA-O 3.3Å; H76-Q88 VanDerWaalsContact CB-O 3.32Å; H76-Q88 WeakPolarHBondContact CB-O 3.41Å; H76-Y89 AromaticContact CE1-CD2 3.59Å; H76-Y89 AromaticContact NE2-CD2 3.6Å
77F97.6Very high96.9Very high12 Ų1274.4 Ų74.45%0.05338%0.376CS..EExtended strand (participates in β ladder)trans-144.2160.3-177.678.2-80.6000113.5E79 C87 Q88 N105 S106 H108 D109F77-E79 HydrophobicContact CD2-CB 4.34Å; F77-E79 HydrophobicContact CE2-CB 4.32Å; F77-C87 WeakPolarHBondContact O-CB 3.31Å; F77-Q88 HydrophobicContact CD1-CB 4.09Å; F77-Q88 WeakPolarHBondContact CD1-O 3.11Å; F77-Q88 HydrophobicContact CE1-CB 3.7Å; F77-Q88 HydrophobicContact CZ-CB 3.92Å; F77-Q88 PolarHBondContact N-O 3.22Å; F77-Q88 PolarHBondContact O-N 3.43Å; F77-N105 WeakPolarHBondContact CB-O 3.34Å; F77-S106 CarbonylContact C-O 3.44Å; F77-S106 WeakPolarHBondContact CA-O 3.4Å; F77-H108 VanDerWaalsContact CD2-C 3.49Å; F77-H108 VanDerWaalsContact CD2-CA 3.48Å; F77-H108 VanDerWaalsContact CG-C 3.44Å; F77-D109 HydrophobicContact CD1-CB 4.02Å; F77-D109 HydrophobicContact CE1-CB 3.5Å; F77-D109 HydrophobicContact CE2-CB 4.14Å; F77-D109 HydrophobicContact CZ-CB 3.58Å
78A97.6Very high96.9Very high4 Ų479.5 Ų79.53%0.03340%0.399CS..  trans-140.6110.716800000108.5P53 G54 H82 S106 T107P53-A78 CarbonylContact C-O 3.48Å; P53-A78 WeakPolarHBondContact CA-O 3.38Å; P53-A78 WeakPolarHBondContact CB-O 3.19Å; G54-A78 PolarHBondContact N-O 3.1Å; A78-H82 WeakPolarHBondContact CB-NE2 3.46Å; A78-S106 PolarHBondContact N-O 3.3Å; A78-T107 WeakPolarHBondContact O-CA 3.43Å
79E96.2Very high96.8Very high122 Ų12282 Ų8257%0.5741%0.406SS*.  trans-82.6-32.2-174.6-174.3176.6-171.300113.5P53 F77 T107P53-E79 WeakPolarHBondContact CB-O 3.16Å; P53-E79 VanDerWaalsContact CG-O 3.26Å; P53-E79 WeakPolarHBondContact CG-O 3.06Å; F77-E79 HydrophobicContact CD2-CB 4.34Å; F77-E79 HydrophobicContact CE2-CB 4.32Å; E79-T107 WeakPolarHBondContact CA-O 3.24Å; E79-T107 WeakPolarHBondContact CB-O 3.21Å
80N96.2Very high96.7Very high114 Ų11480.5 Ų80.561%0.6140%0.396SS*.SBendtrans-120.1163.6-175.9-65.4-57.3000110.5H82N80-H82 PolarHBondContact O-CD2 2.9Å; N80-H82 PolarHBondContact O-N 2.89Å
81W97Very high96.2Very high83 Ų8381.8 Ų81.831%0.31441%0.409SS..  trans-57.4132.3167.4-67.582.2000109.8P30 P32 P33 Q50 C51 P52P30-W81 HydrophobicContact CB-CZ2 4.44Å; P32-W81 HydrophobicContact CB-CE3 4.29Å; P32-W81 HydrophobicContact CB-CH2 3.78Å; P32-W81 HydrophobicContact CB-CZ3 3.49Å; P32-W81 VanDerWaalsContact CB-CZ3 3.49Å; P33-W81 VanDerWaalsContact CD-CD2 3.43Å; P33-W81 HydrophobicContact CG-CB 3.93Å; P33-W81 HydrophobicContact CG-CD2 4.09Å; P33-W81 HydrophobicContact CG-CG 3.83Å; Q50-W81 HydrophobicContact CB-CB 4.31Å; Q50-W81 HydrophobicContact CB-CE3 4.17Å; Q50-W81 WeakPolarHBondContact O-CZ3 3.38Å; Q50-W81 PolarHBondContact OE1-O 2.8Å; C51-W81 VanDerWaalsContact O-CA 3.27Å; C51-W81 WeakPolarHBondContact O-CA 3.35Å; P52-W81 HydrophobicContact CB-CD2 4.35Å; P52-W81 HydrophobicContact CB-CE3 4.12Å; P52-W81 HydrophobicContact CB-CH2 3.81Å; P52-W81 HydrophobicContact CB-CZ2 4.03Å; P52-W81 HydrophobicContact CB-CZ3 3.85Å; P52-W81 HydrophobicContact CG-CZ3 4.43Å
82H96.4Very high95.6Very high38 Ų3879 Ų7918%0.17639%0.392CS..BIsolated β-bridgetrans-153168.9-179.473.8113.2000112.1C51 T55 A78 N80 G84C51-H82 PolarHBondContact N-O 3.41Å; C51-H82 PolarHBondContact O-N 3.18Å; C51-H82 VanDerWaalsContact O-N 3.1Å; T55-H82 PolarHBondContact O-NE2 2.05Å; A78-H82 WeakPolarHBondContact CB-NE2 3.46Å; N80-H82 PolarHBondContact O-CD2 2.9Å; N80-H82 PolarHBondContact O-N 2.89Å; H82-G84 PolarHBondContact ND1-N 3.3Å
83W96.8Very high95.2Very high145 Ų14583.9 Ų83.955%0.54942%0.421SS..  trans-118.414.7-179.558.287000112.9Y35 Q50Y35-W83 HydrophobicContact CD1-CB 3.55Å; Y35-W83 HydrophobicContact CD1-CG 4.41Å; Y35-W83 HydrophobicContact CD2-CB 3.54Å; Y35-W83 AromaticContact CD2-CG 3.8Å; Y35-W83 HydrophobicContact CD2-CG 3.8Å; Y35-W83 HydrophobicContact CE1-CB 3.76Å; Y35-W83 HydrophobicContact CE2-CB 3.78Å; Y35-W83 HydrophobicContact CE2-CG 4.37Å; Y35-W83 HydrophobicContact CG-CB 3.44Å; Y35-W83 VanDerWaalsContact CG-CB 3.44Å; Y35-W83 HydrophobicContact CG-CD2 4.32Å; Y35-W83 AromaticContact CG-CG 3.84Å; Y35-W83 HydrophobicContact CG-CG 3.84Å; Q50-W83 HydrophobicContact CG-CE3 4.02Å
84G96.1Very high95Very high24 Ų2481.8 Ų81.825%0.24741%0.408CS..  trans-72.7145.5176.300000111.2V57 H82 T86V57-G84 PolarHBondContact N-O 3.2Å; H82-G84 PolarHBondContact ND1-N 3.3Å; G84-T86 VanDerWaalsContact C-N 3.26Å
85D96.3Very high94.8Very high104 Ų10478 Ų7856%0.55639%0.389SS*.SBendtrans-75.1-18.1174.957.5-2000113S56 V57S56-D85 WeakPolarHBondContact CB-O 3.36Å; S56-D85 PolarHBondContact OG-O 2.99Å; V57-D85 WeakPolarHBondContact O-CA 3.5Å
86T97Very high94.6Very high98 Ų9877 Ų7760%0.60139%0.391SS*.SBendtrans-122.7141.8-176.745.30000111.6G84G84-T86 VanDerWaalsContact C-N 3.26Å
87C97.7Very high94.5Very high13 Ų1380 Ų809%0.08840%0.401CS..PPolyproline II helixtrans-79.5158.3168.3-650000110.3C72 H76 F77C72-C87 WeakPolarHBondContact CA-SG 3.41Å; C72-C87 HydrophobicContact CB-CB 3.75Å; C72-C87 WeakPolarHBondContact CB-SG 3.34Å; C72-C87 WeakPolarHBondContact SG-CB 3.13Å; C72-C87 CovalentContact SG-SG 2.04Å; C72-C87 PolarHBondContact SG-SG 3.28Å; H76-C87 HydrophobicContact CB-CB 3.71Å; F77-C87 WeakPolarHBondContact O-CB 3.31Å
88Q96.8Very high94.4Very high127 Ų12781.1 Ų81.159%0.59341%0.406SS*.EExtended strand (participates in β ladder)trans-74139.2176.2-63-177.9-4.600110.3H76 F77H76-Q88 CarbonylContact C-O 3.55Å; H76-Q88 WeakPolarHBondContact CA-O 3.3Å; H76-Q88 VanDerWaalsContact CB-O 3.32Å; H76-Q88 WeakPolarHBondContact CB-O 3.41Å; F77-Q88 HydrophobicContact CD1-CB 4.09Å; F77-Q88 WeakPolarHBondContact CD1-O 3.11Å; F77-Q88 HydrophobicContact CE1-CB 3.7Å; F77-Q88 HydrophobicContact CZ-CB 3.92Å; F77-Q88 PolarHBondContact N-O 3.22Å; F77-Q88 PolarHBondContact O-N 3.43Å
89Y96.5Very high94.3Very high116 Ų11684.2 Ų84.246%0.45542%0.424SS..EExtended strand (participates in β ladder)trans-74.7142175.2-174.1-98.4000110.6R75 H76 T91R75-Y89 HydrophobicContact CB-CE2 3.92Å; R75-Y89 WeakPolarHBondContact O-CD2 3.27Å; H76-Y89 AromaticContact CE1-CD2 3.59Å; H76-Y89 AromaticContact NE2-CD2 3.6Å; Y89-T91 HydrophobicContact CD1-CG2 3.95Å; Y89-T91 PolarHBondContact O-N 2.68Å
90C95.3Very high94.2Very high18 Ų1881.5 Ų81.512%0.12242%0.416CS..  trans-72.895174.4-67.10000110.3R75 C104 D109R75-C90 WeakPolarHBondContact O-CB 3.31Å; R75-C90 PolarHBondContact O-N 3.17Å; C90-C104 HydrophobicContact CB-CB 3.62Å; C90-C104 WeakPolarHBondContact CB-SG 3.07Å; C90-C104 WeakPolarHBondContact SG-CB 3.16Å; C90-C104 CovalentContact SG-SG 2.02Å; C90-C104 PolarHBondContact SG-SG 2.94Å; C90-D109 WeakPolarHBondContact CA-OD1 3.5Å; C90-D109 VanDerWaalsContact CB-OD1 3.27Å; C90-D109 WeakPolarHBondContact CB-OD1 3.46Å
91T88.1Confident94.1Very high102 Ų10281.8 Ų81.863%0.62641%0.412SS*.  trans-92-21.2-17457.90000113.2Y89 V93Y89-T91 HydrophobicContact CD1-CG2 3.95Å; Y89-T91 PolarHBondContact O-N 2.68Å; T91-V93 PolarHBondContact O-N 3.15Å
92S85.8Confident94Very high46 Ų4681.6 Ų81.632%0.32241%0.414SS..  trans-67.5114.7-174-660000111.5D109 Q110S92-D109 WeakPolarHBondContact CB-OD2 3.17Å; S92-D109 PolarHBondContact N-OD2 3.42Å; S92-D109 PolarHBondContact OG-OD2 3.1Å; S92-Q110 WeakPolarHBondContact CB-O 3.48Å; S92-Q110 PolarHBondContact O-NE2 3.5Å; S92-Q110 PolarHBondContact OG-O 3.39Å
93V88.8Confident93.9Very high118 Ų11885.6 Ų85.672%0.71543%0.433SS*.  trans-113.2126.2174.4-178.40000108.9T91 K95T91-V93 PolarHBondContact O-N 3.15Å; V93-K95 PolarHBondContact O-N 3.47Å
94C91.9Very high93.9Very high32 Ų3279.9 Ų79.922%0.21642%0.415CS..  trans-68.3123.4178.5-57.80000110.5Q98 V100 C112C94-Q98 HydrophobicContact CB-CB 3.89Å; C94-V100 VanDerWaalsContact SG-CG2 3.54Å; C94-C112 WeakPolarHBondContact CA-SG 3.38Å; C94-C112 HydrophobicContact CB-CB 3.85Å; C94-C112 WeakPolarHBondContact CB-SG 3.06Å; C94-C112 PolarHBondContact N-SG 2.76Å; C94-C112 WeakPolarHBondContact SG-CB 3.45Å; C94-C112 CovalentContact SG-SG 2.05Å; C94-C112 PolarHBondContact SG-SG 3.29Å
95K90.9Very high93.9Very high99 Ų9981.9 Ų81.943%0.4342%0.42SS..  trans-79.2-174.2-178.2-60.5-176.6-176.4178.40110.8V93 R97 Q98 E123V93-K95 PolarHBondContact O-N 3.47Å; K95-R97 PolarHBondContact O-N 3.47Å; K95-Q98 WeakPolarHBondContact O-CB 3.14Å; K95-Q98 PolarHBondContact O-N 3.3Å; K95-Q98 VanDerWaalsContact O-N 3.15Å; K95-E123 IonicContact NZ-OE1 2.82Å; K95-E123 PolarHBondContact NZ-OE1 2.82Å; K95-E123 IonicContact NZ-OE2 3.13Å
96E90.6Very high93.9Very high150 Ų15079.4 Ų79.470%0.70141%0.411SS*.THydrogen-bonded Turntrans-57.3136.2176.1-156.6-167.7146.800111.1Q98E96-Q98 PolarHBondContact O-N 3.41Å
97R94.7Very high93.9Very high116 Ų11677.1 Ų77.144%0.43840%0.397SS..THydrogen-bonded Turntrans61.221-177.9-50.3-179.4-171.3-87.1-14114.4K95 C114 V115 Y118 C125K95-R97 PolarHBondContact O-N 3.47Å; R97-C114 WeakPolarHBondContact O-CA 3.27Å; R97-V115 HydrophobicContact CB-CG2 4.05Å; R97-V115 WeakPolarHBondContact O-CG2 3.44Å; R97-V115 PolarHBondContact O-N 3.42Å; R97-Y118 PolarHBondContact NH1-OH 3.22Å; R97-C125 HydrophobicContact CB-CB 4Å
98Q95.8Very high93.8Very high35 Ų3578.3 Ų78.316%0.16440%0.401CS..EExtended strand (participates in β ladder)trans-107.6153.7165.9-67.6179.9-16.400111.2C94 K95 E96 C112 E113 C125C94-Q98 HydrophobicContact CB-CB 3.89Å; K95-Q98 WeakPolarHBondContact O-CB 3.14Å; K95-Q98 PolarHBondContact O-N 3.3Å; K95-Q98 VanDerWaalsContact O-N 3.15Å; E96-Q98 PolarHBondContact O-N 3.41Å; Q98-C112 HydrophobicContact CB-CB 4.24Å; Q98-E113 CarbonylContact C-O 3.49Å; Q98-E113 WeakPolarHBondContact CA-O 3.4Å; Q98-C125 WeakPolarHBondContact CG-SG 3.5Å
99V94.9Very high93.8Very high69 Ų6973.7 Ų73.742%0.41838%0.38SS..EExtended strand (participates in β ladder)trans-126.7152.2172.8-750000109.6K101 C112 E113 V115V99-K101 PolarHBondContact O-N 3.28Å; V99-C112 WeakPolarHBondContact O-CA 3.42Å; V99-E113 PolarHBondContact N-O 2.96Å; V99-E113 PolarHBondContact O-N 3.47Å; V99-V115 HydrophobicContact CG1-CG1 3.63Å; V99-V115 HydrophobicContact CG2-CG1 4.31Å
100V95.3Very high93.7Very high65 Ų6569.7 Ų69.739%0.39437%0.366SS..EExtended strand (participates in β ladder)trans-70.9110.8175-179.70000108.3C94 Q102 Q103 Q110C94-V100 VanDerWaalsContact SG-CG2 3.54Å; V100-Q102 WeakPolarHBondContact CG1-O 3.46Å; V100-Q103 HydrophobicContact CG1-CB 4.46Å; V100-Q110 HydrophobicContact CG1-CG 3.95Å; V100-Q110 HydrophobicContact CG2-CG 4.33Å
101K94.4Very high93.6Very high120 Ų12072.9 Ų72.952%0.52238%0.381SS..EExtended strand (participates in β ladder)trans-80-38.7172.1179.4177.2-172161.90110.9V99 L111 E113V99-K101 PolarHBondContact O-N 3.28Å; K101-L111 HydrophobicContact CD-CD2 3.88Å; K101-L111 PolarHBondContact N-O 2.96Å; K101-E113 HydrophobicContact CB-CB 3.96Å; K101-E113 HydrophobicContact CD-CB 4.15Å; K101-E113 WeakPolarHBondContact CD-OE2 3.39Å; K101-E113 VanDerWaalsContact CE-OE2 3.24Å; K101-E113 WeakPolarHBondContact CE-OE2 3.06Å; K101-E113 IonicContact NZ-OE2 2.75Å; K101-E113 PolarHBondContact NZ-OE2 3.47Å
102Q94.1Very high93.9Very high79 Ų7969.5 Ų69.537%0.36936%0.362SS..EExtended strand (participates in β ladder)trans-140.1124-178.8-173.7172.7-23.900108.7V100 H108 Q110 L111V100-Q102 WeakPolarHBondContact CG1-O 3.46Å; Q102-H108 WeakPolarHBondContact CG-NE2 3.48Å; Q102-H108 PolarHBondContact NE2-CD2 3.36Å; Q102-H108 PolarHBondContact NE2-CE1 2.99Å; Q102-H108 PolarHBondContact NE2-ND1 2.77Å; Q102-H108 PolarHBondContact NE2-NE2 2.82Å; Q102-Q110 CarbonylContact O-C 3.15Å; Q102-Q110 VanDerWaalsContact O-CA 3.31Å; Q102-Q110 WeakPolarHBondContact O-CA 3.36Å; Q102-Q110 WeakPolarHBondContact O-CG 3.08Å; Q102-L111 HydrophobicContact CB-CB 3.82Å; Q102-L111 PolarHBondContact N-O 2.96Å; Q102-L111 PolarHBondContact O-N 3.37Å
103Q95Very high94.3Very high121 Ų12169.8 Ų69.857%0.56536%0.358SS*.  trans-76.3140.9178.8-168.162.749.400109.6V100 N105 H108V100-Q103 HydrophobicContact CG1-CB 4.46Å; Q103-N105 PolarHBondContact O-N 3.25Å; Q103-H108 PolarHBondContact O-CD2 3.05Å; Q103-H108 PolarHBondContact O-NE2 3.42Å
104C96.1Very high94.7Very high26 Ų2664.4 Ų64.418%0.17633%0.325CS..  trans-54.1135170149.10000110.9C90 Q110C90-C104 HydrophobicContact CB-CB 3.62Å; C90-C104 WeakPolarHBondContact CB-SG 3.07Å; C90-C104 WeakPolarHBondContact SG-CB 3.16Å; C90-C104 CovalentContact SG-SG 2.02Å; C90-C104 PolarHBondContact SG-SG 2.94Å; C104-Q110 HydrophobicContact CB-CB 3.95Å
105N95.6Very high94.9Very high66 Ų6664.6 Ų64.635%0.35333%0.326SS..BIsolated β-bridgetrans-140.2-170.4172.280.9-1.2000110.1F77 Q103 T107 H108F77-N105 WeakPolarHBondContact CB-O 3.34Å; Q103-N105 PolarHBondContact O-N 3.25Å; N105-T107 PolarHBondContact O-N 3.14Å; N105-T107 WeakPolarHBondContact OD1-CA 3.29Å; N105-T107 PolarHBondContact OD1-N 3.06Å; N105-T107 PolarHBondContact OD1-OG1 2.69Å; N105-T107 VanDerWaalsContact OD1-OG1 3.12Å; N105-H108 PolarHBondContact N-O 2.91Å; N105-H108 PolarHBondContact ND2-CE1 3.48Å; N105-H108 VanDerWaalsContact O-O 3.11Å; N105-H108 PolarHBondContact OD1-CE1 2.65Å; N105-H108 PolarHBondContact OD1-N 3.48Å; N105-H108 PolarHBondContact OD1-ND1 3.07Å; N105-H108 PolarHBondContact OD1-NE2 3.24Å
106S97.3Very high95.2Very high52 Ų5266 Ų6636%0.36435%0.345SS..THydrogen-bonded Turntrans-64.5-22.5-178.859.10000114.3G54 F77 A78G54-S106 WeakPolarHBondContact CA-O 3.42Å; F77-S106 CarbonylContact C-O 3.44Å; F77-S106 WeakPolarHBondContact CA-O 3.4Å; A78-S106 PolarHBondContact N-O 3.3Å
107T96.9Very high95.4Very high50 Ų5060.6 Ų60.631%0.30733%0.329SS..THydrogen-bonded Turntrans-107-9-17564.20000114.4P53 A78 E79 N105P53-T107 HydrophobicContact CB-CG2 4.34Å; A78-T107 WeakPolarHBondContact O-CA 3.43Å; E79-T107 WeakPolarHBondContact CA-O 3.24Å; E79-T107 WeakPolarHBondContact CB-O 3.21Å; N105-T107 PolarHBondContact O-N 3.14Å; N105-T107 WeakPolarHBondContact OD1-CA 3.29Å; N105-T107 PolarHBondContact OD1-N 3.06Å; N105-T107 PolarHBondContact OD1-OG1 2.69Å; N105-T107 VanDerWaalsContact OD1-OG1 3.12Å
108H95.6Very high95.5Very high38 Ų3857.7 Ų57.718%0.17632%0.318CS..BIsolated β-bridgetrans-157.3155.717951.4-100.8000112.8F77 Q102 Q103 N105F77-H108 VanDerWaalsContact CD2-C 3.49Å; F77-H108 VanDerWaalsContact CD2-CA 3.48Å; F77-H108 VanDerWaalsContact CG-C 3.44Å; Q102-H108 WeakPolarHBondContact CG-NE2 3.48Å; Q102-H108 PolarHBondContact NE2-CD2 3.36Å; Q102-H108 PolarHBondContact NE2-CE1 2.99Å; Q102-H108 PolarHBondContact NE2-ND1 2.77Å; Q102-H108 PolarHBondContact NE2-NE2 2.82Å; Q103-H108 PolarHBondContact O-CD2 3.05Å; Q103-H108 PolarHBondContact O-NE2 3.42Å; N105-H108 PolarHBondContact N-O 2.91Å; N105-H108 PolarHBondContact ND2-CE1 3.48Å; N105-H108 VanDerWaalsContact O-O 3.11Å; N105-H108 PolarHBondContact OD1-CE1 2.65Å; N105-H108 PolarHBondContact OD1-N 3.48Å; N105-H108 PolarHBondContact OD1-ND1 3.07Å; N105-H108 PolarHBondContact OD1-NE2 3.24Å
109D96Very high95.5Very high29 Ų2956.9 Ų56.916%0.15532%0.315CS..  trans-71.4168.2171.5-156.12.4000111.9F77 C90 S92F77-D109 HydrophobicContact CD1-CB 4.02Å; F77-D109 HydrophobicContact CE1-CB 3.5Å; F77-D109 HydrophobicContact CE2-CB 4.14Å; F77-D109 HydrophobicContact CZ-CB 3.58Å; C90-D109 WeakPolarHBondContact CA-OD1 3.5Å; C90-D109 VanDerWaalsContact CB-OD1 3.27Å; C90-D109 WeakPolarHBondContact CB-OD1 3.46Å; S92-D109 WeakPolarHBondContact CB-OD2 3.17Å; S92-D109 PolarHBondContact N-OD2 3.42Å; S92-D109 PolarHBondContact OG-OD2 3.1Å
110Q93.9Very high95.5Very high32 Ų3257.3 Ų57.315%0.1531%0.314CS..  trans-66.3131.2168.8-175.4172.4-82.400110.8S92 V100 Q102 C104S92-Q110 WeakPolarHBondContact CB-O 3.48Å; S92-Q110 PolarHBondContact O-NE2 3.5Å; S92-Q110 PolarHBondContact OG-O 3.39Å; V100-Q110 HydrophobicContact CG1-CG 3.95Å; V100-Q110 HydrophobicContact CG2-CG 4.33Å; Q102-Q110 CarbonylContact O-C 3.15Å; Q102-Q110 VanDerWaalsContact O-CA 3.31Å; Q102-Q110 WeakPolarHBondContact O-CA 3.36Å; Q102-Q110 WeakPolarHBondContact O-CG 3.08Å; C104-Q110 HydrophobicContact CB-CB 3.95Å
111L93.3Very high95.5Very high85 Ų8556.8 Ų56.845%0.44531%0.311SS..EExtended strand (participates in β ladder)trans-108.2128.9173.4-168.273.1000110K101 Q102K101-L111 HydrophobicContact CD-CD2 3.88Å; K101-L111 PolarHBondContact N-O 2.96Å; Q102-L111 HydrophobicContact CB-CB 3.82Å; Q102-L111 PolarHBondContact N-O 2.96Å; Q102-L111 PolarHBondContact O-N 3.37Å
112C94.2Very high95.3Very high32 Ų3257.5 Ų57.522%0.21633%0.325CS..EExtended strand (participates in β ladder)trans-105.4142.7177.9-59.60000110.7C94 Q98 V99C94-C112 WeakPolarHBondContact CA-SG 3.38Å; C94-C112 HydrophobicContact CB-CB 3.85Å; C94-C112 WeakPolarHBondContact CB-SG 3.06Å; C94-C112 PolarHBondContact N-SG 2.76Å; C94-C112 WeakPolarHBondContact SG-CB 3.45Å; C94-C112 CovalentContact SG-SG 2.05Å; C94-C112 PolarHBondContact SG-SG 3.29Å; Q98-C112 HydrophobicContact CB-CB 4.24Å; V99-C112 WeakPolarHBondContact O-CA 3.42Å
113E95.3Very high95.1Very high52 Ų5258.9 Ų58.924%0.24333%0.332CS..EExtended strand (participates in β ladder)trans-129146.6177.8-173.3178.992.300109.6Q98 V99 K101 P143Q98-E113 CarbonylContact C-O 3.49Å; Q98-E113 WeakPolarHBondContact CA-O 3.4Å; V99-E113 PolarHBondContact N-O 2.96Å; V99-E113 PolarHBondContact O-N 3.47Å; K101-E113 HydrophobicContact CB-CB 3.96Å; K101-E113 HydrophobicContact CD-CB 4.15Å; K101-E113 WeakPolarHBondContact CD-OE2 3.39Å; K101-E113 VanDerWaalsContact CE-OE2 3.24Å; K101-E113 WeakPolarHBondContact CE-OE2 3.06Å; K101-E113 IonicContact NZ-OE2 2.75Å; K101-E113 PolarHBondContact NZ-OE2 3.47Å; E113-P143 VanDerWaalsContact CD-CG 3.47Å; E113-P143 HydrophobicContact CG-CB 3.38Å; E113-P143 HydrophobicContact CG-CG 3.66Å
114C97.1Very high95Very high4 Ų460 Ų603%0.02734%0.335CS..EExtended strand (participates in β ladder)trans-64.2142.7173.3-670000111.1R97 L120 C125R97-C114 WeakPolarHBondContact O-CA 3.27Å; C114-L120 PolarHBondContact SG-N 3.36Å; C114-C125 WeakPolarHBondContact CA-SG 3.49Å; C114-C125 HydrophobicContact CB-CB 3.88Å; C114-C125 WeakPolarHBondContact CB-SG 3.19Å; C114-C125 VanDerWaalsContact SG-CA 3.56Å; C114-C125 WeakPolarHBondContact SG-CB 3.46Å; C114-C125 CovalentContact SG-SG 2.04Å; C114-C125 PolarHBondContact SG-SG 3.33Å
115V96.6Very high95Very high37 Ų3759.6 Ų59.622%0.22433%0.332CS..PPolyproline II helixtrans-62.3155.7174.6-64.70000111.5R97 V99 G117 Y118R97-V115 HydrophobicContact CB-CG2 4.05Å; R97-V115 WeakPolarHBondContact O-CG2 3.44Å; R97-V115 PolarHBondContact O-N 3.42Å; V99-V115 HydrophobicContact CG1-CG1 3.63Å; V99-V115 HydrophobicContact CG2-CG1 4.31Å; V115-G117 PolarHBondContact O-N 3.1Å; V115-Y118 HydrophobicContact CG2-CD2 3.54Å; V115-Y118 HydrophobicContact CG2-CE2 4.02Å; V115-Y118 HydrophobicContact CG2-CG 4.25Å; V115-Y118 PolarHBondContact O-N 3.19Å; V115-Y118 VanDerWaalsContact O-N 3.12Å
116P95.6Very high95Very high128 Ų12860.1 Ų60.183%0.83133%0.334SS*.THydrogen-bonded Turntrans-51.3132.6178.3-28.935.8000113
117G95.1Very high95Very high36 Ų3660 Ų6037%0.37134%0.336SS..THydrogen-bonded Turntrans92.34.5-175.500000114.9V115 A127 H128V115-G117 PolarHBondContact O-N 3.1Å; G117-A127 WeakPolarHBondContact O-CA 3.17Å; G117-H128 VanDerWaalsContact C-ND1 3.34Å; G117-H128 WeakPolarHBondContact CA-ND1 3.34Å; G117-H128 PolarHBondContact O-N 3.44Å
118Y96.9Very high95Very high55 Ų5559.5 Ų59.522%0.21633%0.33CS..EExtended strand (participates in β ladder)trans-130.7153.7177.5-65.3-101.9000111.1R97 V115 C125 I126 A127 H128R97-Y118 PolarHBondContact NH1-OH 3.22Å; V115-Y118 HydrophobicContact CG2-CD2 3.54Å; V115-Y118 HydrophobicContact CG2-CE2 4.02Å; V115-Y118 HydrophobicContact CG2-CG 4.25Å; V115-Y118 PolarHBondContact O-N 3.19Å; V115-Y118 VanDerWaalsContact O-N 3.12Å; Y118-C125 HydrophobicContact CD1-CB 4.4Å; Y118-C125 WeakPolarHBondContact CD1-O 3.11Å; Y118-I126 CarbonylContact C-O 3.44Å; Y118-I126 WeakPolarHBondContact CA-O 3.45Å; Y118-I126 VanDerWaalsContact CD1-C 3.43Å; Y118-A127 VanDerWaalsContact CD1-CA 3.49Å; Y118-A127 HydrophobicContact CD1-CB 4.07Å; Y118-A127 VanDerWaalsContact CD1-N 3.26Å; Y118-A127 HydrophobicContact CE1-CB 3.69Å; Y118-H128 PolarHBondContact O-NE2 3.29Å
119H96.5Very high94.9Very high18 Ų1860.6 Ų60.68%0.08334%0.342CS..EExtended strand (participates in β ladder)trans-130.5152.4172.971.7-66.9000111.3V121 C125 I126 H128 T142 P143 D146H119-V121 VanDerWaalsContact CD2-CG2 3.48Å; H119-V121 WeakPolarHBondContact CD2-CG2 3.47Å; H119-V121 WeakPolarHBondContact NE2-CG2 3.28Å; H119-V121 PolarHBondContact O-N 3.37Å; H119-C125 CarbonylContact O-C 3.52Å; H119-C125 WeakPolarHBondContact O-CA 3.39Å; H119-I126 PolarHBondContact N-O 3.33Å; H119-I126 PolarHBondContact ND1-O 3.15Å; H119-I126 VanDerWaalsContact ND1-O 3.1Å; H119-I126 PolarHBondContact O-N 2.99Å; H119-H128 AromaticContact ND1-CD2 3.78Å; H119-T142 VanDerWaalsContact CB-O 3.22Å; H119-T142 WeakPolarHBondContact CB-O 3.45Å; H119-P143 CarbonylContact C-O 3.47Å; H119-P143 VanDerWaalsContact CA-O 3.25Å; H119-P143 WeakPolarHBondContact CA-O 3.5Å; H119-D146 IonicContact CE1-OD1 3.47Å
120L95.6Very high94.8Very high78 Ų7863.8 Ų63.841%0.40836%0.363SS..EExtended strand (participates in β ladder)trans-79119.4-179-174.267000110.8C114 P143C114-L120 PolarHBondContact SG-N 3.36Å; L120-P143 PolarHBondContact N-O 2.85Å
121V94.8Very high94.8Very high54 Ų5462.4 Ų62.433%0.32736%0.357SS..EExtended strand (participates in β ladder)trans-119107.9169.8-178.30000108.4H119 E123 F124 I126H119-V121 VanDerWaalsContact CD2-CG2 3.48Å; H119-V121 WeakPolarHBondContact CD2-CG2 3.47Å; H119-V121 WeakPolarHBondContact NE2-CG2 3.28Å; H119-V121 PolarHBondContact O-N 3.37Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 PolarHBondContact O-N 3.36Å; V121-F124 PolarHBondContact N-O 3.49Å; V121-F124 PolarHBondContact O-N 3.16Å; V121-I126 HydrophobicContact CB-CD1 3.59Å; V121-I126 HydrophobicContact CB-CG1 4.06Å; V121-I126 HydrophobicContact CG1-CD1 4.06Å; V121-I126 HydrophobicContact CG2-CB 4.33Å; V121-I126 HydrophobicContact CG2-CD1 3.75Å; V121-I126 HydrophobicContact CG2-CG1 4.09Å
122V90.6Very high94.8Very high135 Ų13565 Ų6582%0.81837%0.367SS*.THydrogen-bonded Turntrans60.3-87.3-175.1-171.60000111
123E88.9Confident94.8Very high109 Ų10967.2 Ų67.251%0.50938%0.381SS..THydrogen-bonded Turntrans-124.6-2.3-179.2-71.4-156.4110.400113.9K95 V121K95-E123 IonicContact NZ-OE1 2.82Å; K95-E123 PolarHBondContact NZ-OE1 2.82Å; K95-E123 IonicContact NZ-OE2 3.13Å; V121-E123 VanDerWaalsContact C-N 3.33Å; V121-E123 PolarHBondContact O-N 3.36Å
124F93Very high94.6Very high145 Ų14564.9 Ų64.964%0.63637%0.37SS*.EExtended strand (participates in β ladder)trans-119137.9-172.1-59.7-79.1000111.5V121 I126V121-F124 PolarHBondContact N-O 3.49Å; V121-F124 PolarHBondContact O-N 3.16Å; F124-I126 HydrophobicContact CB-CG1 4.48Å; F124-I126 PolarHBondContact O-N 2.69Å
125C96.7Very high94.5Very high16 Ų1668.1 Ų68.111%0.10838%0.382CS..EExtended strand (participates in β ladder)trans-80.3109.1169.1-68.90000109.6R97 Q98 C114 Y118 H119R97-C125 HydrophobicContact CB-CB 4Å; Q98-C125 WeakPolarHBondContact CG-SG 3.5Å; C114-C125 WeakPolarHBondContact CA-SG 3.49Å; C114-C125 HydrophobicContact CB-CB 3.88Å; C114-C125 WeakPolarHBondContact CB-SG 3.19Å; C114-C125 VanDerWaalsContact SG-CA 3.56Å; C114-C125 WeakPolarHBondContact SG-CB 3.46Å; C114-C125 CovalentContact SG-SG 2.04Å; C114-C125 PolarHBondContact SG-SG 3.33Å; Y118-C125 HydrophobicContact CD1-CB 4.4Å; Y118-C125 WeakPolarHBondContact CD1-O 3.11Å; H119-C125 CarbonylContact O-C 3.52Å; H119-C125 WeakPolarHBondContact O-CA 3.39Å
126I96.1Very high94.4Very high78 Ų7866.4 Ų66.440%0.437%0.372SS..EExtended strand (participates in β ladder)trans-100.5137.8-179.9-54.8-171.7000109.2Y118 H119 V121 F124Y118-I126 CarbonylContact C-O 3.44Å; Y118-I126 WeakPolarHBondContact CA-O 3.45Å; Y118-I126 VanDerWaalsContact CD1-C 3.43Å; H119-I126 PolarHBondContact N-O 3.33Å; H119-I126 PolarHBondContact ND1-O 3.15Å; H119-I126 VanDerWaalsContact ND1-O 3.1Å; H119-I126 PolarHBondContact O-N 2.99Å; V121-I126 HydrophobicContact CB-CD1 3.59Å; V121-I126 HydrophobicContact CB-CG1 4.06Å; V121-I126 HydrophobicContact CG1-CD1 4.06Å; V121-I126 HydrophobicContact CG2-CB 4.33Å; V121-I126 HydrophobicContact CG2-CD1 3.75Å; V121-I126 HydrophobicContact CG2-CG1 4.09Å; F124-I126 HydrophobicContact CB-CG1 4.48Å; F124-I126 PolarHBondContact O-N 2.69Å
127A96.5Very high94.4Very high50 Ų5060.9 Ų60.941%0.41334%0.336SS..EExtended strand (participates in β ladder)trans-59.5142.6178.800000110.6G117 Y118 S129G117-A127 WeakPolarHBondContact O-CA 3.17Å; Y118-A127 VanDerWaalsContact CD1-CA 3.49Å; Y118-A127 HydrophobicContact CD1-CB 4.07Å; Y118-A127 VanDerWaalsContact CD1-N 3.26Å; Y118-A127 HydrophobicContact CE1-CB 3.69Å; A127-S129 PolarHBondContact O-N 3.33Å
128H96.6Very high94.4Very high39 Ų3962.6 Ų62.618%0.18134%0.339CS..PPolyproline II helixtrans-60.1137.8174.5-67149.9000111.2G117 Y118 H119 G141 T142 D146G117-H128 VanDerWaalsContact C-ND1 3.34Å; G117-H128 WeakPolarHBondContact CA-ND1 3.34Å; G117-H128 PolarHBondContact O-N 3.44Å; Y118-H128 PolarHBondContact O-NE2 3.29Å; H119-H128 AromaticContact ND1-CD2 3.78Å; H128-G141 PolarHBondContact CE1-O 2.9Å; H128-T142 PolarHBondContact NE2-O 3.36Å; H128-D146 WeakPolarHBondContact CA-OD1 3.29Å; H128-D146 IonicContact CD2-OD1 2.65Å
129S94.3Very high94.3Very high60 Ų6063.6 Ų63.642%0.4235%0.351SS..PPolyproline II helixtrans-63.8144.4174.4-68.50000111.1A127 D146 T147A127-S129 PolarHBondContact O-N 3.33Å; S129-D146 WeakPolarHBondContact CB-OD2 3.48Å; S129-D146 PolarHBondContact N-OD1 3.33Å; S129-D146 PolarHBondContact OG-OD2 2.81Å; S129-T147 WeakPolarHBondContact O-CB 3.49Å
130T93.8Very high94.1Very high97 Ų9768.9 Ų68.960%0.59538%0.379SS*.PPolyproline II helixtrans-100.2142.1172.553.30000110
131C94.1Very high94.1Very high3 Ų366.1 Ų66.12%0.0237%0.369CS..BIsolated β-bridgetrans-73.3139.5178.6-57.20000110.6Y135 V137 C149 G160 G161C131-Y135 WeakPolarHBondContact CB-O 3.19Å; C131-V137 VanDerWaalsContact SG-CG2 3.51Å; C131-C149 WeakPolarHBondContact CA-SG 3.41Å; C131-C149 HydrophobicContact CB-CB 3.81Å; C131-C149 WeakPolarHBondContact CB-SG 3.38Å; C131-C149 WeakPolarHBondContact SG-CB 3.25Å; C131-C149 CovalentContact SG-SG 2.04Å; C131-C149 PolarHBondContact SG-SG 3.11Å; C131-G160 CarbonylContact O-C 3.6Å; C131-G160 VanDerWaalsContact O-CA 3.23Å; C131-G160 WeakPolarHBondContact O-CA 3.33Å; C131-G161 WeakPolarHBondContact CB-O 3.26Å; C131-G161 PolarHBondContact N-O 3.34Å; C131-G161 PolarHBondContact O-N 2.92Å
132Q93.6Very high94.1Very high140 Ų14066 Ų6665%0.65437%0.369SS*.PPolyproline II helixtrans-70.1156173.4-64.3-176.5-2.200110.5G134 Y135Q132-G134 PolarHBondContact O-N 3.14Å; Q132-Y135 HydrophobicContact CB-CD2 4.37Å; Q132-Y135 WeakPolarHBondContact O-CA 3.07Å; Q132-Y135 WeakPolarHBondContact O-CB 3.07Å; Q132-Y135 PolarHBondContact O-N 3.02Å
133P93.4Very high94.4Very high78 Ų7861.1 Ų61.151%0.50634%0.34SS..THydrogen-bonded Turntrans-52.1135.9169.3-2332.4000110.6Y135 T185P133-Y135 VanDerWaalsContact C-N 3.32Å; P133-T185 HydrophobicContact CB-CG2 3.95Å
134G90.7Very high94.7Very high2 Ų261.8 Ų61.82%0.02134%0.343CS..THydrogen-bonded Turntrans92.9-11.7-172.400000114.6Q132 C152 S158 S184Q132-G134 PolarHBondContact O-N 3.14Å; G134-C152 PolarHBondContact O-N 2.85Å; G134-S158 PolarHBondContact N-O 2.65Å; G134-S184 VanDerWaalsContact CA-O 3.25Å; G134-S184 WeakPolarHBondContact CA-O 3.23Å
135Y95.8Very high94.8Very high73 Ų7357.2 Ų57.229%0.28633%0.329SS..EExtended strand (participates in β ladder)trans-121.3140.8177.6-66.2-108.8000109.6C131 Q132 P133 E150 R151 S158C131-Y135 WeakPolarHBondContact CB-O 3.19Å; Q132-Y135 HydrophobicContact CB-CD2 4.37Å; Q132-Y135 WeakPolarHBondContact O-CA 3.07Å; Q132-Y135 WeakPolarHBondContact O-CB 3.07Å; Q132-Y135 PolarHBondContact O-N 3.02Å; P133-Y135 VanDerWaalsContact C-N 3.32Å; Y135-E150 CarbonylContact C-O 3.59Å; Y135-E150 WeakPolarHBondContact CA-O 3.44Å; Y135-E150 WeakPolarHBondContact CB-O 3.38Å; Y135-E150 VanDerWaalsContact CD1-C 3.42Å; Y135-R151 HydrophobicContact CD1-CB 4.18Å; Y135-R151 VanDerWaalsContact CD1-N 3.34Å; Y135-R151 HydrophobicContact CE1-CB 3.86Å; Y135-R151 PolarHBondContact OH-NH2 3.18Å; Y135-S158 WeakPolarHBondContact O-CB 3.48Å; Y135-S158 PolarHBondContact O-OG 3.14Å
136G94.6Very high94.8Very high1 Ų158.6 Ų58.61%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-119.2155.317700000111.4T138 C149 E150 S163 C165G136-T138 PolarHBondContact O-N 2.87Å; G136-C149 WeakPolarHBondContact O-CA 3.34Å; G136-E150 PolarHBondContact N-O 2.04Å; G136-E150 PolarHBondContact O-N 3.38Å; G136-S163 WeakPolarHBondContact CA-O 3.34Å; G136-C165 VanDerWaalsContact CA-SG 3.57Å
137V96Very high94.8Very high11 Ų1155.8 Ų55.87%0.06732%0.322CS..EExtended strand (participates in β ladder)trans-66.5126.7173.9179.20000109.4C131 L140 T147 S163 T164C131-V137 VanDerWaalsContact SG-CG2 3.51Å; V137-L140 HydrophobicContact CG1-CD2 3.96Å; V137-L140 HydrophobicContact CG1-CG 4.35Å; V137-T147 HydrophobicContact CB-CG2 4.35Å; V137-T147 HydrophobicContact CG1-CG2 3.78Å; V137-T147 HydrophobicContact CG2-CG2 3.81Å; V137-S163 PolarHBondContact N-O 3.38Å; V137-T164 HydrophobicContact CB-CG2 4.48Å; V137-T164 WeakPolarHBondContact O-CG2 3.46Å
138T94.1Very high94.7Very high73 Ų7356.6 Ų56.645%0.44832%0.322SS..EExtended strand (participates in β ladder)trans-106.7-36.6171.554.10000111.8G136 V148 E150G136-T138 PolarHBondContact O-N 2.87Å; T138-V148 PolarHBondContact N-O 3.48Å; T138-V148 PolarHBondContact OG1-O 2.84Å; T138-E150 HydrophobicContact CG2-CB 3.72Å; T138-E150 HydrophobicContact CG2-CG 3.78Å
139V94.1Very high94.7Very high76 Ų7656.8 Ų56.846%0.46133%0.327SS..EExtended strand (participates in β ladder)trans-126.8123.9173.8-173.70000108.5V148V139-V148 HydrophobicContact CB-CB 3.96Å; V139-V148 HydrophobicContact CB-CG2 4.03Å; V139-V148 HydrophobicContact CG2-CB 4.3Å; V139-V148 HydrophobicContact CG2-CG2 4.45Å; V139-V148 PolarHBondContact O-N 3.47Å
140L93.8Very high94.8Very high129 Ų12959.5 Ų59.568%0.67533%0.333SS*.  trans-68.7140.1175.1-71.1166.9000110V137V137-L140 HydrophobicContact CG1-CD2 3.96Å; V137-L140 HydrophobicContact CG1-CG 4.35Å
141G94.3Very high94.9Very high19 Ų1963.3 Ų63.320%0.19634%0.336CS..  trans-59.4141.7173.100000111.9H128 S145 T147H128-G141 PolarHBondContact CE1-O 2.9Å; G141-S145 CarbonylContact C-O 3.48Å; G141-S145 WeakPolarHBondContact CA-O 3.5Å; G141-T147 PolarHBondContact N-OG1 3.39Å
142T95.8Very high94.9Very high52 Ų5263.5 Ų63.532%0.31934%0.338SS..  trans-113.2173.117666.90000109.2H119 H128 E144 S145H119-T142 VanDerWaalsContact CB-O 3.22Å; H119-T142 WeakPolarHBondContact CB-O 3.45Å; H128-T142 PolarHBondContact NE2-O 3.36Å; T142-E144 PolarHBondContact O-N 3.41Å; T142-E144 PolarHBondContact OG1-N 3.18Å; T142-E144 PolarHBondContact OG1-OE2 3.46Å; T142-S145 PolarHBondContact N-O 3.12Å; T142-S145 PolarHBondContact O-N 3.37Å; T142-S145 PolarHBondContact OG1-N 3.32Å; T142-S145 PolarHBondContact OG1-OG 3.28Å
143P95.9Very high95Very high33 Ų3360.5 Ų60.521%0.21433%0.33CS..SBendtrans-60.1-19170.6-23.534.9000114E113 H119 L120E113-P143 VanDerWaalsContact CD-CG 3.47Å; E113-P143 HydrophobicContact CG-CB 3.38Å; E113-P143 HydrophobicContact CG-CG 3.66Å; H119-P143 CarbonylContact C-O 3.47Å; H119-P143 VanDerWaalsContact CA-O 3.25Å; H119-P143 WeakPolarHBondContact CA-O 3.5Å; L120-P143 PolarHBondContact N-O 2.85Å
144E95Very high95Very high123 Ų12364.8 Ų64.858%0.57535%0.349SS*.SBendtrans-106.1-18.7-178.4-56.878-167.600113.7T142T142-E144 PolarHBondContact O-N 3.41Å; T142-E144 PolarHBondContact OG1-N 3.18Å; T142-E144 PolarHBondContact OG1-OE2 3.46Å
145S95.7Very high94.9Very high49 Ų4966.4 Ų66.434%0.34337%0.365SS..SBendtrans-139146.8-173.673.80000113.5G141 T142G141-S145 CarbonylContact C-O 3.48Å; G141-S145 WeakPolarHBondContact CA-O 3.5Å; T142-S145 PolarHBondContact N-O 3.12Å; T142-S145 PolarHBondContact O-N 3.37Å; T142-S145 PolarHBondContact OG1-N 3.32Å; T142-S145 PolarHBondContact OG1-OG 3.28Å
146D96.9Very high94.9Very high45 Ų4567.7 Ų67.724%0.24137%0.371CS..PPolyproline II helixtrans-70.7165.4175.2-157.35.7000112.7H119 H128 S129H119-D146 IonicContact CE1-OD1 3.47Å; H128-D146 WeakPolarHBondContact CA-OD1 3.29Å; H128-D146 IonicContact CD2-OD1 2.65Å; S129-D146 WeakPolarHBondContact CB-OD2 3.48Å; S129-D146 PolarHBondContact N-OD1 3.33Å; S129-D146 PolarHBondContact OG-OD2 2.81Å
147T95.8Very high94.8Very high19 Ų1969 Ų6912%0.11738%0.376CS..PPolyproline II helixtrans-67.7133.1170.2-620000110.4S129 V137 G141S129-T147 WeakPolarHBondContact O-CB 3.49Å; V137-T147 HydrophobicContact CB-CG2 4.35Å; V137-T147 HydrophobicContact CG1-CG2 3.78Å; V137-T147 HydrophobicContact CG2-CG2 3.81Å; G141-T147 PolarHBondContact N-OG1 3.39Å
148V95.8Very high94.6Very high67 Ų6768.6 Ų68.641%0.40637%0.373SS..EExtended strand (participates in β ladder)trans-99.7128.2176.9-175.30000109.8T138 V139T138-V148 PolarHBondContact N-O 3.48Å; T138-V148 PolarHBondContact OG1-O 2.84Å; V139-V148 HydrophobicContact CB-CB 3.96Å; V139-V148 HydrophobicContact CB-CG2 4.03Å; V139-V148 HydrophobicContact CG2-CB 4.3Å; V139-V148 HydrophobicContact CG2-CG2 4.45Å; V139-V148 PolarHBondContact O-N 3.47Å
149C96.3Very high94.3Very high42 Ų4268.6 Ų68.628%0.28438%0.381SS..EExtended strand (participates in β ladder)trans-114.8129.7-179-600000110.6C131 G136C131-C149 WeakPolarHBondContact CA-SG 3.41Å; C131-C149 HydrophobicContact CB-CB 3.81Å; C131-C149 WeakPolarHBondContact CB-SG 3.38Å; C131-C149 WeakPolarHBondContact SG-CB 3.25Å; C131-C149 CovalentContact SG-SG 2.04Å; C131-C149 PolarHBondContact SG-SG 3.11Å; G136-C149 WeakPolarHBondContact O-CA 3.34Å
150E95.6Very high94Very high117 Ų11765.8 Ų65.855%0.54737%0.368SS..EExtended strand (participates in β ladder)trans-121.5155.5173.6-66.5-174177.800111.3Y135 G136 T138 C152Y135-E150 CarbonylContact C-O 3.59Å; Y135-E150 WeakPolarHBondContact CA-O 3.44Å; Y135-E150 WeakPolarHBondContact CB-O 3.38Å; Y135-E150 VanDerWaalsContact CD1-C 3.42Å; G136-E150 PolarHBondContact N-O 2.04Å; G136-E150 PolarHBondContact O-N 3.38Å; T138-E150 HydrophobicContact CG2-CB 3.72Å; T138-E150 HydrophobicContact CG2-CG 3.78Å; E150-C152 PolarHBondContact O-N 3.02Å
151R95.9Very high93.7Very high178 Ų17860.9 Ų60.967%0.67235%0.348SS*.EExtended strand (participates in β ladder)trans-64.8134.4178.2179.9177.5-70.7-165.9-0.3109.2Y135Y135-R151 HydrophobicContact CD1-CB 4.18Å; Y135-R151 VanDerWaalsContact CD1-N 3.34Å; Y135-R151 HydrophobicContact CE1-CB 3.86Å; Y135-R151 PolarHBondContact OH-NH2 3.18Å
152C94.8Very high93.2Very high7 Ų764.5 Ų64.55%0.04737%0.37CS..PPolyproline II helixtrans-63.5131.3175.8-64.80000111G134 E150 S158 C165G134-C152 PolarHBondContact O-N 2.85Å; E150-C152 PolarHBondContact O-N 3.02Å; C152-S158 VanDerWaalsContact SG-CB 3.57Å; C152-C165 WeakPolarHBondContact CA-SG 3.47Å; C152-C165 HydrophobicContact CB-CB 3.88Å; C152-C165 WeakPolarHBondContact CB-SG 3.44Å; C152-C165 WeakPolarHBondContact SG-CB 3.23Å; C152-C165 CovalentContact SG-SG 2.05Å; C152-C165 PolarHBondContact SG-SG 3.3Å
153P94.8Very high92.7Very high76 Ų7664 Ų6449%0.49437%0.369SS..PPolyproline II helixtrans-67.1165.4176.728.1-33.8000111.1G155 Y156P153-G155 PolarHBondContact O-N 3.18Å; P153-Y156 HydrophobicContact CG-CD2 3.77Å; P153-Y156 HydrophobicContact CG-CE2 4.4Å; P153-Y156 HydrophobicContact CG-CG 4.06Å; P153-Y156 WeakPolarHBondContact O-CB 3.24Å; P153-Y156 PolarHBondContact O-N 3.17Å
154D92.7Very high92.6Very high169 Ų16966.5 Ų66.590%0.90438%0.384SS*.THydrogen-bonded Turntrans-57135.8177.8-70-31.4000111.2Y156D154-Y156 VanDerWaalsContact C-N 3.34Å
155G89.4Confident92.5Very high36 Ų3662.1 Ų62.137%0.37137%0.367SS..THydrogen-bonded Turntrans83.64.9-173.400000114.7P153 P167 H168P153-G155 PolarHBondContact O-N 3.18Å; G155-P167 CarbonylContact O-C 3.59Å; G155-H168 WeakPolarHBondContact CA-ND1 3.4Å; G155-H168 WeakPolarHBondContact O-CB 3.32Å; G155-H168 PolarHBondContact O-N 3.27Å
156Y94.8Very high92.4Very high100 Ų10065 Ų6539%0.39237%0.374SS..EExtended strand (participates in β ladder)trans-125.6158175.5-67.9-108.8000111.8P153 D154 C165 Q166 P167 H168P153-Y156 HydrophobicContact CG-CD2 3.77Å; P153-Y156 HydrophobicContact CG-CE2 4.4Å; P153-Y156 HydrophobicContact CG-CG 4.06Å; P153-Y156 WeakPolarHBondContact O-CB 3.24Å; P153-Y156 PolarHBondContact O-N 3.17Å; D154-Y156 VanDerWaalsContact C-N 3.34Å; Y156-C165 HydrophobicContact CD1-CB 4.36Å; Y156-Q166 CarbonylContact C-O 3.56Å; Y156-Q166 WeakPolarHBondContact CA-O 3.42Å; Y156-Q166 WeakPolarHBondContact CB-O 3.34Å; Y156-Q166 VanDerWaalsContact CD1-C 3.44Å; Y156-P167 HydrophobicContact CD1-CB 4.12Å; Y156-P167 HydrophobicContact CE1-CB 3.82Å; Y156-P167 HydrophobicContact CE1-CG 4.37Å; Y156-H168 PolarHBondContact O-NE2 3.46Å
157F92.4Very high92.3Very high28 Ų2866.7 Ų66.712%0.12339%0.388CS..EExtended strand (participates in β ladder)trans-142.9159.2175.881.6-72.2000113.4Q166 H168 T183 S184 S186 D187F157-Q166 HydrophobicContact CD1-CB 4.34Å; F157-Q166 WeakPolarHBondContact CD1-O 3.22Å; F157-Q166 HydrophobicContact CE1-CB 3.95Å; F157-Q166 HydrophobicContact CZ-CB 4.47Å; F157-Q166 PolarHBondContact N-O 2.83Å; F157-Q166 PolarHBondContact O-N 3.05Å; F157-H168 AromaticContact CD1-CD2 3.7Å; F157-T183 WeakPolarHBondContact CB-O 3.47Å; F157-S184 CarbonylContact C-O 3.53Å; F157-S184 WeakPolarHBondContact CA-O 3.44Å; F157-S184 WeakPolarHBondContact CB-O 3.19Å; F157-S186 VanDerWaalsContact CD2-C 3.46Å; F157-D187 HydrophobicContact CD1-CB 4.09Å; F157-D187 HydrophobicContact CD2-CB 4.39Å; F157-D187 VanDerWaalsContact CD2-N 3.32Å; F157-D187 HydrophobicContact CE1-CB 3.53Å; F157-D187 HydrophobicContact CE2-CB 3.88Å; F157-D187 HydrophobicContact CG-CB 4.49Å; F157-D187 HydrophobicContact CZ-CB 3.43Å; F157-D187 VanDerWaalsContact CZ-CB 3.43Å
158S93.6Very high92Very high2 Ų267.4 Ų67.41%0.01439%0.39CS..  trans-144.1130.5169.1171.80000109.1G134 Y135 C152 G160 S163 S184G134-S158 PolarHBondContact N-O 2.65Å; Y135-S158 WeakPolarHBondContact O-CB 3.48Å; Y135-S158 PolarHBondContact O-OG 3.14Å; C152-S158 VanDerWaalsContact SG-CB 3.57Å; S158-G160 PolarHBondContact O-N 2.71Å; S158-G160 PolarHBondContact OG-N 3.2Å; S158-S163 PolarHBondContact OG-OG 2.84Å; S158-S184 PolarHBondContact N-O 3.15Å
159A87.7Confident91.5Very high74 Ų7470.2 Ų70.261%0.61239%0.393SS*.  trans-74.5-3.2174.500000112.8
160G86.6Confident91.1Very high17 Ų1773.3 Ų73.318%0.17541%0.407CS..SBendtrans93.1-179.3-176.100000113.1C131 S158 S163C131-G160 CarbonylContact O-C 3.6Å; C131-G160 VanDerWaalsContact O-CA 3.23Å; C131-G160 WeakPolarHBondContact O-CA 3.33Å; S158-G160 PolarHBondContact O-N 2.71Å; S158-G160 PolarHBondContact OG-N 3.2Å; G160-S163 PolarHBondContact O-OG 2.86Å
161G88.1Confident90.3Very high26 Ų2667.8 Ų67.827%0.26838%0.381SS..BIsolated β-bridgetrans88-136.8-173.700000111.7C131C131-G161 WeakPolarHBondContact CB-O 3.26Å; C131-G161 PolarHBondContact N-O 3.34Å; C131-G161 PolarHBondContact O-N 2.92Å
162S83.8Confident89.6Confident95 Ų9563.1 Ų63.166%0.66438%0.38SS*.SBendtrans-100.916.8-178.4-51.80000113.2
163S84.7Confident88.9Confident42 Ų4268.6 Ų68.629%0.29441%0.409SS..PPolyproline II helixtrans-83143.3179.855.10000112.4G136 V137 S158 G160G136-S163 WeakPolarHBondContact CA-O 3.34Å; V137-S163 PolarHBondContact N-O 3.38Å; S158-S163 PolarHBondContact OG-OG 2.84Å; G160-S163 PolarHBondContact O-OG 2.86Å
164T93.8Very high87.9Confident84 Ų8472 Ų7252%0.51541%0.413SS..PPolyproline II helixtrans-73.3160.6165.261.50000110.3V137 Q166V137-T164 HydrophobicContact CB-CG2 4.48Å; V137-T164 WeakPolarHBondContact O-CG2 3.46Å; T164-Q166 PolarHBondContact O-N 3.48Å
165C93.9Very high86.7Confident32 Ų3267.2 Ų67.222%0.21640%0.403CS..PPolyproline II helixtrans-63.4128.6173.2-65.90000110.4G136 C152 Y156G136-C165 VanDerWaalsContact CA-SG 3.57Å; C152-C165 WeakPolarHBondContact CA-SG 3.47Å; C152-C165 HydrophobicContact CB-CB 3.88Å; C152-C165 WeakPolarHBondContact CB-SG 3.44Å; C152-C165 WeakPolarHBondContact SG-CB 3.23Å; C152-C165 CovalentContact SG-SG 2.05Å; C152-C165 PolarHBondContact SG-SG 3.3Å; Y156-C165 HydrophobicContact CD1-CB 4.36Å
166Q93.3Very high86Confident108 Ų10869.1 Ų69.151%0.50540%0.403SS..EExtended strand (participates in β ladder)trans-105.1142.6178.4-63.3-165.5-13.800110.3Y156 F157 T164Y156-Q166 CarbonylContact C-O 3.56Å; Y156-Q166 WeakPolarHBondContact CA-O 3.42Å; Y156-Q166 WeakPolarHBondContact CB-O 3.34Å; Y156-Q166 VanDerWaalsContact CD1-C 3.44Å; F157-Q166 HydrophobicContact CD1-CB 4.34Å; F157-Q166 WeakPolarHBondContact CD1-O 3.22Å; F157-Q166 HydrophobicContact CE1-CB 3.95Å; F157-Q166 HydrophobicContact CZ-CB 4.47Å; F157-Q166 PolarHBondContact N-O 2.83Å; F157-Q166 PolarHBondContact O-N 3.05Å; T164-Q166 PolarHBondContact O-N 3.48Å
167P94.2Very high85Confident82 Ų8271 Ų7153%0.53241%0.413SS..EExtended strand (participates in β ladder)trans-64.8145.8176.828-34.2000110.3G155 Y156G155-P167 CarbonylContact O-C 3.59Å; Y156-P167 HydrophobicContact CD1-CB 4.12Å; Y156-P167 HydrophobicContact CE1-CB 3.82Å; Y156-P167 HydrophobicContact CE1-CG 4.37Å
168H89.6Confident84.3Confident33 Ų3371.8 Ų71.815%0.15342%0.421CS..PPolyproline II helixtrans-61.5138.4170.9-69.8159.7000110.1G155 Y156 F157 L170 T183 D187G155-H168 WeakPolarHBondContact CA-ND1 3.4Å; G155-H168 WeakPolarHBondContact O-CB 3.32Å; G155-H168 PolarHBondContact O-N 3.27Å; Y156-H168 PolarHBondContact O-NE2 3.46Å; F157-H168 AromaticContact CD1-CD2 3.7Å; H168-L170 PolarHBondContact O-N 3.48Å; H168-T183 PolarHBondContact NE2-O 3.23Å; H168-D187 WeakPolarHBondContact CA-OD1 3.42Å
169R85.9Confident83.5Confident127 Ų12777.6 Ų77.648%0.47945%0.451SS..PPolyproline II helixtrans-63.4126172.7-171.6-178.4-51.4-160.9-0.7110.5C171 Y174 D187 S188 C190R169-C171 PolarHBondContact O-N 3.11Å; R169-Y174 HydrophobicContact CG-CD2 4.2Å; R169-Y174 HydrophobicContact CG-CE2 3.74Å; R169-D187 WeakPolarHBondContact CB-OD1 3.5Å; R169-D187 WeakPolarHBondContact CB-OD2 3.26Å; R169-D187 IonicContact CZ-OD2 3.13Å; R169-D187 PolarHBondContact N-OD1 2.92Å; R169-D187 IonicContact NE-OD2 3.91Å; R169-D187 PolarHBondContact NE-OD2 3.46Å; R169-D187 IonicContact NH2-OD2 2.65Å; R169-S188 WeakPolarHBondContact O-CB 3.17Å; R169-C190 VanDerWaalsContact CD-SG 3.53Å
170L87.1Confident83.1Confident107 Ų10781 Ų8156%0.5645%0.448SS*.  trans-86.4106.4170.6-61.1179.4000108.9H168 A172 D173 Y174H168-L170 PolarHBondContact O-N 3.48Å; L170-A172 PolarHBondContact O-N 3.25Å; L170-D173 WeakPolarHBondContact O-CB 3.43Å; L170-D173 PolarHBondContact O-N 2.95Å; L170-Y174 WeakPolarHBondContact O-CD2 3.12Å
171C80.1Confident82.9Confident1 Ų189.8 Ų89.81%0.00748%0.476CS..G310 helixtrans-62.8-27.4-177.3-56.20000113.1R169 D173 Y174 G175 M176 C190R169-C171 PolarHBondContact O-N 3.11Å; C171-D173 VanDerWaalsContact C-N 3.27Å; C171-D173 PolarHBondContact O-N 3.01Å; C171-Y174 PolarHBondContact O-N 3.2Å; C171-Y174 VanDerWaalsContact O-N 3.15Å; C171-G175 PolarHBondContact O-N 2.94Å; C171-M176 CarbonylContact C-O 3.57Å; C171-M176 HydrophobicContact CB-CB 4.25Å; C171-M176 WeakPolarHBondContact CB-O 3.48Å; C171-M176 CarbonylContact O-C 3.59Å; C171-M176 PolarHBondContact O-N 3.34Å; C171-C190 WeakPolarHBondContact CA-SG 3.46Å; C171-C190 HydrophobicContact CB-CB 3.69Å; C171-C190 WeakPolarHBondContact CB-SG 3.21Å; C171-C190 WeakPolarHBondContact SG-CA 3.42Å; C171-C190 WeakPolarHBondContact SG-CB 3.48Å; C171-C190 CovalentContact SG-SG 2.04Å; C171-C190 PolarHBondContact SG-SG 2.91Å
172A79.3Confident82.7Confident79 Ų7989.3 Ų89.365%0.65347%0.471SS*.G310 helixtrans-59.7-36.5177.100000112.6L170 Y174 G175L170-A172 PolarHBondContact O-N 3.25Å; A172-Y174 PolarHBondContact O-N 3.45Å; A172-G175 PolarHBondContact O-N 2.89Å
173D80.9Confident82.9Confident122 Ų12287.1 Ų87.165%0.65245%0.454SS*.G310 helixtrans-63.3-25.3179.8-62.2-6.6000112L170 C171L170-D173 WeakPolarHBondContact O-CB 3.43Å; L170-D173 PolarHBondContact O-N 2.95Å; C171-D173 VanDerWaalsContact C-N 3.27Å; C171-D173 PolarHBondContact O-N 3.01Å
174Y73.1Confident83Confident149 Ų14987.7 Ų87.758%0.58446%0.458SS*.G310 helixtrans-100.89.8178.1-57.4-84000112.8R169 L170 C171 A172 M176R169-Y174 HydrophobicContact CG-CD2 4.2Å; R169-Y174 HydrophobicContact CG-CE2 3.74Å; L170-Y174 WeakPolarHBondContact O-CD2 3.12Å; C171-Y174 PolarHBondContact O-N 3.2Å; C171-Y174 VanDerWaalsContact O-N 3.15Å; A172-Y174 PolarHBondContact O-N 3.45Å; Y174-M176 PolarHBondContact O-N 3.06Å
175G68.1Low82.7Confident68 Ų6886.8 Ų86.870%0.70145%0.453SS*.THydrogen-bonded Turntrans66.419-176.200000114.1C171 A172C171-G175 PolarHBondContact O-N 2.94Å; A172-G175 PolarHBondContact O-N 2.89Å
176M75.4Confident82.3Confident75 Ų7587.1 Ų87.137%0.36946%0.455SS..  trans-107.5159.7-176.8-64.9-174.7-168.100111.1C171 Y174 C190C171-M176 CarbonylContact C-O 3.57Å; C171-M176 HydrophobicContact CB-CB 4.25Å; C171-M176 WeakPolarHBondContact CB-O 3.48Å; C171-M176 CarbonylContact O-C 3.59Å; C171-M176 PolarHBondContact O-N 3.34Å; Y174-M176 PolarHBondContact O-N 3.06Å; M176-C190 HydrophobicContact CB-CB 4.17Å; M176-C190 HydrophobicContact SD-CB 4.13Å
177K74.2Confident82.1Confident139 Ų13983.5 Ų83.560%0.60444%0.439SS*.EExtended strand (participates in β ladder)trans-91.5144.4170.7-70.3-164.8177.1-171.30110.5L179 G191 P193K177-L179 PolarHBondContact O-N 2.9Å; K177-G191 PolarHBondContact N-O 3.43Å; K177-G191 PolarHBondContact O-N 2.62Å; K177-P193 HydrophobicContact CD-CB 4.22Å
178T77.1Confident81.7Confident46 Ų4680 Ų8028%0.28242%0.417SS..EExtended strand (participates in β ladder)trans-69.5110.7169.5-49.30000108.7R180 W181T178-R180 WeakPolarHBondContact CG2-O 3.33Å; T178-W181 HydrophobicContact CG2-CD2 4.04Å; T178-W181 HydrophobicContact CG2-CE3 4.24Å; T178-W181 HydrophobicContact CG2-CG 4.3Å
179L75.9Confident81.3Confident124 Ų12483 Ų8365%0.64943%0.434SS*.EExtended strand (participates in β ladder)trans-77.4-39.2174.1-63.2-178.3000110.8K177 L189K177-L179 PolarHBondContact O-N 2.9Å; L179-L189 WeakPolarHBondContact CB-O 3.5Å; L179-L189 PolarHBondContact N-O 2.89Å
180R80.5Confident81.1Confident144 Ų14478.6 Ų78.654%0.54342%0.422SS..EExtended strand (participates in β ladder)trans-143.6130.4176.1-173.7-177.3168.8-170.6-4.3109.2T178 S188 L189T178-R180 WeakPolarHBondContact CG2-O 3.33Å; R180-S188 WeakPolarHBondContact O-CA 3.36Å; R180-L189 HydrophobicContact CB-CB 4.07Å; R180-L189 HydrophobicContact CB-CD1 4.14Å; R180-L189 HydrophobicContact CB-CG 4.36Å; R180-L189 PolarHBondContact N-O 3.3Å; R180-L189 PolarHBondContact O-N 3.19Å
181W81.5Confident79.9Confident202 Ų20274 Ų7477%0.76540%0.4SS*.  trans-65.6141.4173.9-63.795.6000110.8T178T178-W181 HydrophobicContact CG2-CD2 4.04Å; T178-W181 HydrophobicContact CG2-CE3 4.24Å; T178-W181 HydrophobicContact CG2-CG 4.3Å
182G83.8Confident78.4Confident16 Ų1676.3 Ų76.317%0.16542%0.416CS..  trans-61156.7173.900000112.3S186 S188G182-S186 CarbonylContact C-O 3.42Å; G182-S186 VanDerWaalsContact CA-O 3.26Å; G182-S186 WeakPolarHBondContact CA-O 3.39Å; G182-S188 PolarHBondContact N-OG 3.28Å
183T88Confident76.9Confident49 Ų4975.7 Ų75.730%0.30141%0.405SS..BIsolated β-bridgetrans-118.9175171.661.60000108.9F157 H168 T185 S186F157-T183 WeakPolarHBondContact CB-O 3.47Å; H168-T183 PolarHBondContact NE2-O 3.23Å; T183-T185 PolarHBondContact O-N 3.4Å; T183-T185 VanDerWaalsContact O-N 3.07Å; T183-T185 PolarHBondContact OG1-N 2.99Å; T183-T185 PolarHBondContact OG1-OG1 3.23Å; T183-S186 PolarHBondContact N-O 3.42Å; T183-S186 PolarHBondContact O-N 3.37Å; T183-S186 PolarHBondContact OG1-N 3.46Å; T183-S186 VanDerWaalsContact OG1-N 3.17Å; T183-S186 PolarHBondContact OG1-OG 2.84Å
184S88.1Confident75.1Confident54 Ų5477.1 Ų77.138%0.37841%0.413SS..THydrogen-bonded Turntrans-58.9-21.5172.156.90000113.2G134 F157 S158G134-S184 VanDerWaalsContact CA-O 3.25Å; G134-S184 WeakPolarHBondContact CA-O 3.23Å; F157-S184 CarbonylContact C-O 3.53Å; F157-S184 WeakPolarHBondContact CA-O 3.44Å; F157-S184 WeakPolarHBondContact CB-O 3.19Å; S158-S184 PolarHBondContact N-O 3.15Å
185T86.9Confident73.7Confident66 Ų6674.8 Ų74.841%0.40541%0.41SS..THydrogen-bonded Turntrans-101.5-14.1-177.555.90000114.3P133 T183P133-T185 HydrophobicContact CB-CG2 3.95Å; T183-T185 PolarHBondContact O-N 3.4Å; T183-T185 VanDerWaalsContact O-N 3.07Å; T183-T185 PolarHBondContact OG1-N 2.99Å; T183-T185 PolarHBondContact OG1-OG1 3.23Å
186S86.4Confident72.9Confident38 Ų3875.8 Ų75.827%0.26640%0.395SS..BIsolated β-bridgetrans-150.2145.3-172.461.90000113.1F157 G182 T183F157-S186 VanDerWaalsContact CD2-C 3.46Å; G182-S186 CarbonylContact C-O 3.42Å; G182-S186 VanDerWaalsContact CA-O 3.26Å; G182-S186 WeakPolarHBondContact CA-O 3.39Å; T183-S186 PolarHBondContact N-O 3.42Å; T183-S186 PolarHBondContact O-N 3.37Å; T183-S186 PolarHBondContact OG1-N 3.46Å; T183-S186 VanDerWaalsContact OG1-N 3.17Å; T183-S186 PolarHBondContact OG1-OG 2.84Å
187D88.6Confident71.4Confident33 Ų3375.6 Ų75.618%0.17640%0.395CS..  trans-66.2161.3178.1-157.93000112.1F157 H168 R169 L189F157-D187 HydrophobicContact CD1-CB 4.09Å; F157-D187 HydrophobicContact CD2-CB 4.39Å; F157-D187 VanDerWaalsContact CD2-N 3.32Å; F157-D187 HydrophobicContact CE1-CB 3.53Å; F157-D187 HydrophobicContact CE2-CB 3.88Å; F157-D187 HydrophobicContact CG-CB 4.49Å; F157-D187 HydrophobicContact CZ-CB 3.43Å; F157-D187 VanDerWaalsContact CZ-CB 3.43Å; H168-D187 WeakPolarHBondContact CA-OD1 3.42Å; R169-D187 WeakPolarHBondContact CB-OD1 3.5Å; R169-D187 WeakPolarHBondContact CB-OD2 3.26Å; R169-D187 IonicContact CZ-OD2 3.13Å; R169-D187 PolarHBondContact N-OD1 2.92Å; R169-D187 IonicContact NE-OD2 3.91Å; R169-D187 PolarHBondContact NE-OD2 3.46Å; R169-D187 IonicContact NH2-OD2 2.65Å; D187-L189 PolarHBondContact O-N 2.8Å
188S84.5Confident70.7Confident8 Ų869.4 Ų69.46%0.05637%0.37CS..  trans-61.5129.7166.1-71.10000110.6R169 R180 G182 C190R169-S188 WeakPolarHBondContact O-CB 3.17Å; R180-S188 WeakPolarHBondContact O-CA 3.36Å; G182-S188 PolarHBondContact N-OG 3.28Å; S188-C190 PolarHBondContact O-N 3.37Å
189L82.6Confident69.8Low97 Ų9771.8 Ų71.851%0.50839%0.388SS..EExtended strand (participates in β ladder)trans-87.5113.5174.2-63.8178.4000109.4L179 R180 D187L179-L189 WeakPolarHBondContact CB-O 3.5Å; L179-L189 PolarHBondContact N-O 2.89Å; R180-L189 HydrophobicContact CB-CB 4.07Å; R180-L189 HydrophobicContact CB-CD1 4.14Å; R180-L189 HydrophobicContact CB-CG 4.36Å; R180-L189 PolarHBondContact N-O 3.3Å; R180-L189 PolarHBondContact O-N 3.19Å; D187-L189 PolarHBondContact O-N 2.8Å
190C81.2Confident68.6Low34 Ų3472.1 Ų72.123%0.2339%0.386CS..EExtended strand (participates in β ladder)trans-91141.9174.5-55.60000111R169 C171 M176 S188R169-C190 VanDerWaalsContact CD-SG 3.53Å; C171-C190 WeakPolarHBondContact CA-SG 3.46Å; C171-C190 HydrophobicContact CB-CB 3.69Å; C171-C190 WeakPolarHBondContact CB-SG 3.21Å; C171-C190 WeakPolarHBondContact SG-CA 3.42Å; C171-C190 WeakPolarHBondContact SG-CB 3.48Å; C171-C190 CovalentContact SG-SG 2.04Å; C171-C190 PolarHBondContact SG-SG 2.91Å; M176-C190 HydrophobicContact CB-CB 4.17Å; M176-C190 HydrophobicContact SD-CB 4.13Å; S188-C190 PolarHBondContact O-N 3.37Å
191G62.3Low67.1Low11 Ų1171 Ų7111%0.11339%0.387CS..EExtended strand (participates in β ladder)trans-142.3143.8171.700000109.7K177K177-G191 PolarHBondContact N-O 3.43Å; K177-G191 PolarHBondContact O-N 2.62Å
192S47.4Very low65.6Low48 Ų4865.5 Ų65.534%0.33637%0.369SS..  trans-60.3145161.6-61.50000108.1D194S192-D194 PolarHBondContact O-N 2.87Å
193P47.9Very low64Low66 Ų6668.2 Ų68.243%0.42938%0.383SS..SBendtrans-61.590.8167.325.3-30.5000108K177 I195K177-P193 HydrophobicContact CD-CB 4.22Å; P193-I195 PolarHBondContact O-N 3.34Å
194D44Very low62.4Low153 Ų15372 Ų7282%0.81840%0.401SS*.SBendtrans27.279.6-177.5-75.2-51000114.1S192S192-D194 PolarHBondContact O-N 2.87Å
195I44.4Very low61.2Low99 Ų9971 Ų7151%0.50839%0.393SS..  trans-111.787.3165.9-51.1179000106.6P193 D197P193-I195 PolarHBondContact O-N 3.34Å; I195-D197 HydrophobicContact CG2-CB 3.61Å; I195-D197 PolarHBondContact O-N 3.13Å
196K49.8Very low59.8Low90 Ų9072.6 Ų72.639%0.39140%0.396SS..  trans-73.375.9153-75.9-179.8-179.7175.90106.1
197D45.2Very low58.2Low70 Ų7076 Ų7637%0.37441%0.411SS..  trans-64.1139.8-178.6-143.5-6000108.7I195 S199I195-D197 HydrophobicContact CG2-CB 3.61Å; I195-D197 PolarHBondContact O-N 3.13Å; D197-S199 PolarHBondContact O-N 2.86Å
198C58Low56.5Low10 Ų1079.4 Ų79.47%0.06843%0.429CS..THydrogen-bonded Turntrans-72.316.6-175.7-81.20000113.8C254 Q258C198-C254 HydrophobicContact CB-CB 3.72Å; C198-C254 WeakPolarHBondContact CB-SG 3.36Å; C198-C254 WeakPolarHBondContact SG-CB 3.23Å; C198-C254 CovalentContact SG-SG 2.01Å; C198-C254 PolarHBondContact SG-SG 3.26Å; C198-Q258 PolarHBondContact O-NE2 3.03Å
199S58Low55.1Low95 Ų9579.6 Ų79.666%0.66443%0.431SS*.THydrogen-bonded Turntrans-165.856.1-177.835.50000113.3D197D197-S199 PolarHBondContact O-N 2.86Å
200Q50.7Low54.2Low131 Ų13176.2 Ų76.261%0.61242%0.415SS*.  trans-122.9122.4159.1-83.1-171.2-5.600112.8H202Q200-H202 PolarHBondContact O-CD2 2.97Å; Q200-H202 PolarHBondContact O-N 3.1Å
201H49.3Very low53.6Low120 Ų12074.8 Ų74.856%0.55641%0.405SS*.  trans-59.397.8163.9-72.2-93.2000108.9T203H201-T203 PolarHBondContact O-N 3.36Å
202H51.2Low54.2Low87 Ų8774.2 Ų74.240%0.40340%0.399SS..  trans-70.599.6172.9-81.7-96.8000109.7Q200 Q335Q200-H202 PolarHBondContact O-CD2 2.97Å; Q200-H202 PolarHBondContact O-N 3.1Å; H202-Q335 PolarHBondContact O-NE2 2.95Å
203T49.3Very low55.3Low74 Ų7472.6 Ų72.645%0.45439%0.387SS..  trans-77.5-1.9166.118.70000112.9H201 A322H201-T203 PolarHBondContact O-N 3.36Å; T203-A322 HydrophobicContact CG2-CB 4.44Å
204L55.7Low56.4Low128 Ų12870 Ų7067%0.6737%0.369SS*.SBendtrans-79.2126.9174.1-81.8138.1000110.8H206 Q335L204-H206 PolarHBondContact O-N 3.5Å; L204-Q335 PolarHBondContact O-NE2 2.98Å
205C60.9Low57.7Low33 Ų3363.3 Ų63.322%0.22333%0.334CS..  trans-68101.6178.3-56.10000110.1T326 C327C205-T326 PolarHBondContact SG-O 3.3Å; C205-T326 PolarHBondContact SG-OG1 2.97Å; C205-C327 HydrophobicContact CB-CB 3.72Å; C205-C327 WeakPolarHBondContact CB-SG 3.17Å; C205-C327 WeakPolarHBondContact SG-CA 3.15Å; C205-C327 WeakPolarHBondContact SG-CB 3.25Å; C205-C327 PolarHBondContact SG-N 2.8Å; C205-C327 CovalentContact SG-SG 2.02Å; C205-C327 PolarHBondContact SG-SG 2.65Å
206H58Low59.1Low99 Ų9958.6 Ų58.646%0.45831%0.31SS..  trans-83.8133.5179.8-131.153.4000110L204L204-H206 PolarHBondContact O-N 3.5Å
207N53.3Low60.1Low110 Ų11054.3 Ų54.359%0.58829%0.292SS*.SBendtrans-76.1-17.8169.2-86.6-42.3000112Q331N207-Q331 PolarHBondContact OD1-NE2 2.85Å
208D51.9Low61.1Low104 Ų10452.2 Ų52.256%0.55628%0.28SS*.SBendtrans-99.1133.4-169-57.8-34.6000110.8T210D208-T210 PolarHBondContact O-N 3.31Å
209A55.8Low61.4Low12 Ų1253 Ų5310%0.09929%0.286CS..  trans-76.463.7-168.400000112.7L211 C212 E286A209-L211 PolarHBondContact O-N 2.62Å; A209-C212 WeakPolarHBondContact O-CB 3.36Å; A209-C212 PolarHBondContact O-N 3.25Å; A209-E286 HydrophobicContact CB-CB 3.68Å; A209-E286 HydrophobicContact CB-CG 3.56Å
210T64Low61.8Low27 Ų2748.5 Ų48.517%0.16625%0.254CS..Hα-helixtrans-55.7-19.6174.258.20000113.3D208 C212 E213 E214 H338D208-T210 PolarHBondContact O-N 3.31Å; T210-C212 VanDerWaalsContact C-N 3.3Å; T210-C212 PolarHBondContact O-N 3.41Å; T210-E213 WeakPolarHBondContact O-CB 3.36Å; T210-E213 PolarHBondContact O-N 2.93Å; T210-E214 WeakPolarHBondContact O-CB 3.3Å; T210-E214 VanDerWaalsContact O-CG 3.24Å; T210-E214 WeakPolarHBondContact O-CG 3.4Å; T210-E214 PolarHBondContact O-N 3.32Å; T210-H338 PolarHBondContact OG1-ND1 3.22Å; T210-H338 VanDerWaalsContact OG1-ND1 3.12Å
211L68.6Low62.2Low3 Ų342.5 Ų42.52%0.01623%0.227CC..Hα-helixtrans-63.2-31.5171.6-67.2174.5000113.6A209 A215 L334 L337 H338 L349A209-L211 PolarHBondContact O-N 2.62Å; L211-A215 WeakPolarHBondContact O-CB 3.24Å; L211-A215 PolarHBondContact O-N 3.26Å; L211-L334 HydrophobicContact CD1-CB 4.17Å; L211-L334 HydrophobicContact CD1-CD2 3.8Å; L211-L337 HydrophobicContact CD1-CB 3.77Å; L211-L337 HydrophobicContact CD1-CD1 4.18Å; L211-L337 HydrophobicContact CD2-CB 3.88Å; L211-L337 HydrophobicContact CG-CB 4.49Å; L211-H338 HydrophobicContact CD2-CB 4.25Å; L211-L349 HydrophobicContact CB-CD2 4.19Å; L211-L349 HydrophobicContact CD2-CD2 3.95Å
212C74.3Confident62.8Low0 Ų040.8 Ų40.80%023%0.228CC..Hα-helixtrans-75.6-36.8176.5-73.60000111.2A209 T210 A215 V216 V282 C285 E286A209-C212 WeakPolarHBondContact O-CB 3.36Å; A209-C212 PolarHBondContact O-N 3.25Å; T210-C212 VanDerWaalsContact C-N 3.3Å; T210-C212 PolarHBondContact O-N 3.41Å; C212-A215 PolarHBondContact O-N 3.27Å; C212-V216 WeakPolarHBondContact O-CB 3.02Å; C212-V216 VanDerWaalsContact O-CG2 3.31Å; C212-V216 WeakPolarHBondContact O-CG2 3.47Å; C212-V216 PolarHBondContact O-N 3.14Å; C212-V282 HydrophobicContact CB-CG1 4.36Å; C212-C285 HydrophobicContact CB-CB 3.66Å; C212-C285 WeakPolarHBondContact CB-SG 3.48Å; C212-C285 WeakPolarHBondContact SG-CB 2.85Å; C212-C285 CovalentContact SG-SG 2.05Å; C212-C285 PolarHBondContact SG-SG 3.44Å; C212-E286 HydrophobicContact CB-CG 3.76Å; C212-E286 PolarHBondContact SG-N 2.89Å; C212-E286 VanDerWaalsContact SG-N 3.42Å
213E71.9Confident63.3Low14 Ų1437.4 Ų37.47%0.06521%0.213CC..Hα-helixtrans-60.2-49.8168.8-64-168.6149.900111T210 A215 V216 F217 R265 R268 V282T210-E213 WeakPolarHBondContact O-CB 3.36Å; T210-E213 PolarHBondContact O-N 2.93Å; E213-A215 VanDerWaalsContact C-N 3.32Å; E213-A215 PolarHBondContact O-N 3.5Å; E213-V216 PolarHBondContact O-N 3.43Å; E213-F217 HydrophobicContact CB-CD2 3.88Å; E213-F217 HydrophobicContact CB-CE2 4.06Å; E213-F217 HydrophobicContact CG-CD2 4.5Å; E213-F217 HydrophobicContact CG-CE2 4.18Å; E213-F217 VanDerWaalsContact O-CB 3.26Å; E213-F217 WeakPolarHBondContact O-CB 3.01Å; E213-F217 WeakPolarHBondContact O-CD2 3.48Å; E213-F217 WeakPolarHBondContact O-CG 3.11Å; E213-F217 PolarHBondContact O-N 3.45Å; E213-R265 IonicContact OE2-CZ 2.69Å; E213-R265 IonicContact OE2-NE 3.88Å; E213-R265 PolarHBondContact OE2-NE 2.82Å; E213-R265 IonicContact OE2-NH2 3.87Å; E213-R268 VanDerWaalsContact CD-NH1 3.31Å; E213-R268 IonicContact OE1-CZ 2.81Å; E213-R268 IonicContact OE1-NH1 3.84Å; E213-R268 PolarHBondContact OE1-NH1 2.99Å; E213-V282 HydrophobicContact CG-CG1 4.04Å
214E71.3Confident63.9Low11 Ų1143 Ų435%0.05123%0.226CC..Hα-helixtrans-57.5-46.2177-72.5-72.116600110.4T210 V216 Q218 R265 K341T210-E214 WeakPolarHBondContact O-CB 3.3Å; T210-E214 VanDerWaalsContact O-CG 3.24Å; T210-E214 WeakPolarHBondContact O-CG 3.4Å; T210-E214 PolarHBondContact O-N 3.32Å; E214-V216 PolarHBondContact O-N 2.97Å; E214-Q218 WeakPolarHBondContact O-CA 3.47Å; E214-Q218 WeakPolarHBondContact O-CB 3.17Å; E214-Q218 PolarHBondContact O-N 3.29Å; E214-R265 IonicContact OE1-CZ 3.67Å; E214-R265 IonicContact OE1-NH1 2.76Å; E214-R265 IonicContact OE1-NH2 3.63Å; E214-R265 PolarHBondContact OE1-NH2 3.43Å; E214-K341 HydrophobicContact CB-CG 4.1Å; E214-K341 HydrophobicContact CG-CG 3.96Å; E214-K341 WeakPolarHBondContact OE2-CE 3.28Å; E214-K341 IonicContact OE2-NZ 3.61Å; E214-K341 PolarHBondContact OE2-NZ 3.43Å
215A71.2Confident64.3Low12 Ų1236.9 Ų36.910%0.09919%0.194CC..Hα-helixtrans-63.1-43.9178.600000113.2L211 C212 E213 S219 I380L211-A215 WeakPolarHBondContact O-CB 3.24Å; L211-A215 PolarHBondContact O-N 3.26Å; C212-A215 PolarHBondContact O-N 3.27Å; E213-A215 VanDerWaalsContact C-N 3.32Å; E213-A215 PolarHBondContact O-N 3.5Å; A215-S219 WeakPolarHBondContact O-CB 3.48Å; A215-S219 PolarHBondContact O-N 3.01Å; A215-S219 PolarHBondContact O-OG 2.79Å; A215-I380 HydrophobicContact CB-CG2 3.82Å
216V72.1Confident64.4Low1 Ų137.4 Ų37.41%0.00620%0.198CC..Hα-helixtrans-79.8-47.4-174.8174.70000111.5C212 E213 E214 L220 I278 V282 T383C212-V216 WeakPolarHBondContact O-CB 3.02Å; C212-V216 VanDerWaalsContact O-CG2 3.31Å; C212-V216 WeakPolarHBondContact O-CG2 3.47Å; C212-V216 PolarHBondContact O-N 3.14Å; E213-V216 PolarHBondContact O-N 3.43Å; E214-V216 PolarHBondContact O-N 2.97Å; V216-L220 WeakPolarHBondContact O-CG 3.13Å; V216-L220 PolarHBondContact O-N 3.19Å; V216-I278 HydrophobicContact CG1-CG2 4.1Å; V216-V282 HydrophobicContact CB-CG2 3.83Å; V216-V282 HydrophobicContact CG1-CG2 3.8Å; V216-V282 HydrophobicContact CG2-CG2 3.91Å; V216-T383 HydrophobicContact CG2-CG2 3.81Å
217F71.8Confident64.9Low0 Ų036.6 Ų36.60%020%0.203CC..Hα-helixtrans-77.6-31.4-177.8-60.9-41000113.1E213 S219 L220 A221 L261 L264 R265 R268 I278E213-F217 HydrophobicContact CB-CD2 3.88Å; E213-F217 HydrophobicContact CB-CE2 4.06Å; E213-F217 HydrophobicContact CG-CD2 4.5Å; E213-F217 HydrophobicContact CG-CE2 4.18Å; E213-F217 VanDerWaalsContact O-CB 3.26Å; E213-F217 WeakPolarHBondContact O-CB 3.01Å; E213-F217 WeakPolarHBondContact O-CD2 3.48Å; E213-F217 WeakPolarHBondContact O-CG 3.11Å; E213-F217 PolarHBondContact O-N 3.45Å; F217-S219 VanDerWaalsContact C-N 3.33Å; F217-L220 HydrophobicContact CD1-CD1 4.35Å; F217-L220 PolarHBondContact O-N 2.97Å; F217-A221 WeakPolarHBondContact O-CB 3.43Å; F217-A221 PolarHBondContact O-N 2.82Å; F217-L261 HydrophobicContact CB-CD1 3.47Å; F217-L261 VanDerWaalsContact CB-CD1 3.47Å; F217-L264 HydrophobicContact CB-CD1 4.23Å; F217-L264 HydrophobicContact CD1-CB 3.9Å; F217-L264 HydrophobicContact CD1-CD1 3.94Å; F217-L264 HydrophobicContact CD1-CG 4.5Å; F217-L264 HydrophobicContact CD2-CB 4.48Å; F217-L264 HydrophobicContact CE1-CB 4.08Å; F217-L264 HydrophobicContact CG-CB 4.12Å; F217-L264 HydrophobicContact CG-CD1 4.33Å; F217-L264 HydrophobicContact CZ-CB 4.45Å; F217-R265 HydrophobicContact CD2-CG 4.21Å; F217-R265 HydrophobicContact CE2-CG 4.22Å; F217-R268 HydrophobicContact CZ-CB 4.27Å; F217-I278 HydrophobicContact CE1-CG2 3.83Å
218Q66.4Low65.8Low25 Ų2531.8 Ų31.812%0.11718%0.178CC..Hα-helixtrans-66.2-38.7172-170.871.321.300111.3E214 L220 A221 S222 Y345E214-Q218 WeakPolarHBondContact O-CA 3.47Å; E214-Q218 WeakPolarHBondContact O-CB 3.17Å; E214-Q218 PolarHBondContact O-N 3.29Å; Q218-L220 VanDerWaalsContact C-N 3.26Å; Q218-L220 PolarHBondContact O-N 3.05Å; Q218-A221 PolarHBondContact O-N 2.76Å; Q218-S222 WeakPolarHBondContact O-CB 3.4Å; Q218-S222 PolarHBondContact O-N 2.93Å; Q218-Y345 PolarHBondContact NE2-O 2.79Å; Q218-Y345 PolarHBondContact OE1-O 3.48Å
219S64.6Low67.2Low28 Ų2830.5 Ų30.520%0.19618%0.175CC..Hα-helixtrans-57.8-43.4174.3-62.60000110.4A215 F217 S222A215-S219 WeakPolarHBondContact O-CB 3.48Å; A215-S219 PolarHBondContact O-N 3.01Å; A215-S219 PolarHBondContact O-OG 2.79Å; F217-S219 VanDerWaalsContact C-N 3.33Å; S219-S222 PolarHBondContact O-N 2.94Å; S219-S222 PolarHBondContact O-OG 2.74Å
220L64.9Low68.4Low0 Ų030.4 Ų30.40%017%0.173CC..Hα-helixtrans-68.2-44174.9-64174.2000112.3V216 F217 Q218 S222 L223 L225 L264 I278 H386 F393V216-L220 WeakPolarHBondContact O-CG 3.13Å; V216-L220 PolarHBondContact O-N 3.19Å; F217-L220 HydrophobicContact CD1-CD1 4.35Å; F217-L220 PolarHBondContact O-N 2.97Å; Q218-L220 VanDerWaalsContact C-N 3.26Å; Q218-L220 PolarHBondContact O-N 3.05Å; L220-S222 PolarHBondContact O-N 3.33Å; L220-L223 HydrophobicContact CD2-CD1 3.86Å; L220-L223 WeakPolarHBondContact O-CB 3.43Å; L220-L223 VanDerWaalsContact O-CG 3.28Å; L220-L223 WeakPolarHBondContact O-CG 3.27Å; L220-L223 PolarHBondContact O-N 2.87Å; L220-L223 VanDerWaalsContact O-N 3.07Å; L220-L225 HydrophobicContact CB-CD1 4.43Å; L220-L225 WeakPolarHBondContact O-CD1 3.32Å; L220-L264 HydrophobicContact CB-CD1 4.37Å; L220-L264 HydrophobicContact CD1-CD1 4.47Å; L220-I278 HydrophobicContact CD1-CD1 4.27Å; L220-H386 HydrophobicContact CD2-CB 4.42Å; L220-F393 HydrophobicContact CD1-CD2 4.49Å; L220-F393 HydrophobicContact CD1-CE2 4.02Å; L220-F393 HydrophobicContact CD2-CD2 3.89Å; L220-F393 HydrophobicContact CD2-CE2 4.24Å
221A60.3Low69.3Low5 Ų532.9 Ų32.94%0.04118%0.183CC..Hα-helixtrans-62.9-26.6178.400000113.1F217 Q218 L223 V260F217-A221 WeakPolarHBondContact O-CB 3.43Å; F217-A221 PolarHBondContact O-N 2.82Å; Q218-A221 PolarHBondContact O-N 2.76Å; A221-L223 PolarHBondContact O-N 3.34Å; A221-V260 HydrophobicContact CB-CG1 4.26Å
222S61.5Low69.8Low83 Ų8337 Ų3758%0.5820%0.198SC*.THydrogen-bonded Turntrans-73.1-10.3176.177.40000114.4Q218 S219 L220 R224Q218-S222 WeakPolarHBondContact O-CB 3.4Å; Q218-S222 PolarHBondContact O-N 2.93Å; S219-S222 PolarHBondContact O-N 2.94Å; S219-S222 PolarHBondContact O-OG 2.74Å; L220-S222 PolarHBondContact O-N 3.33Å; S222-R224 PolarHBondContact O-N 2.91Å
223L62.2Low70.1Confident16 Ų1637 Ų378%0.08420%0.198CC..THydrogen-bonded Turntrans-7424.5178.6-63.5178000114.3L220 A221 L225 E390 F393 M394 F397L220-L223 HydrophobicContact CD2-CD1 3.86Å; L220-L223 WeakPolarHBondContact O-CB 3.43Å; L220-L223 VanDerWaalsContact O-CG 3.28Å; L220-L223 WeakPolarHBondContact O-CG 3.27Å; L220-L223 PolarHBondContact O-N 2.87Å; L220-L223 VanDerWaalsContact O-N 3.07Å; A221-L223 PolarHBondContact O-N 3.34Å; L223-L225 HydrophobicContact CB-CG 4.33Å; L223-L225 PolarHBondContact O-N 3.03Å; L223-E390 HydrophobicContact CD1-CB 3.96Å; L223-E390 HydrophobicContact CD1-CG 3.81Å; L223-E390 HydrophobicContact CD2-CG 3.71Å; L223-E390 HydrophobicContact CG-CG 4.44Å; L223-F393 HydrophobicContact CD1-CB 4.21Å; L223-M394 HydrophobicContact CB-CE 3.47Å; L223-M394 VanDerWaalsContact CB-CE 3.47Å; L223-M394 HydrophobicContact CD1-CE 4.33Å; L223-M394 HydrophobicContact CD2-CE 3.4Å; L223-M394 HydrophobicContact CG-CE 3.86Å; L223-F397 WeakPolarHBondContact O-CE2 3.33Å; L223-F397 WeakPolarHBondContact O-CZ 2.97Å
224R62.4Low70.6Confident192 Ų19236.9 Ų36.973%0.72520%0.197SC*.THydrogen-bonded Turntrans60.216.8-167.8-56-168176.7-173.30.1114.8S222 S226 S227 F397S222-R224 PolarHBondContact O-N 2.91Å; R224-S226 PolarHBondContact O-N 3.31Å; R224-S226 VanDerWaalsContact O-N 3.09Å; R224-S227 PolarHBondContact O-N 3.17Å; R224-S227 PolarHBondContact O-OG 3.49Å; R224-F397 VanDerWaalsContact C-CZ 3.47Å; R224-F397 HydrophobicContact CB-CE1 4.12Å; R224-F397 HydrophobicContact CB-CZ 4.17Å
225L63.8Low71.1Confident0 Ų041.9 Ų41.90%022%0.221CC..G310 helixtrans-59.6-25.2176.9-74.2174.4000113L220 L223 S227 V228 I233 V260 F393 F397L220-L225 HydrophobicContact CB-CD1 4.43Å; L220-L225 WeakPolarHBondContact O-CD1 3.32Å; L223-L225 HydrophobicContact CB-CG 4.33Å; L223-L225 PolarHBondContact O-N 3.03Å; L225-S227 PolarHBondContact O-N 2.97Å; L225-V228 PolarHBondContact O-N 3.38Å; L225-I233 HydrophobicContact CB-CD1 4.28Å; L225-I233 HydrophobicContact CD2-CD1 4.46Å; L225-V260 HydrophobicContact CB-CG1 3.97Å; L225-V260 HydrophobicContact CB-CG2 4.35Å; L225-V260 HydrophobicContact CD1-CG1 4.25Å; L225-F393 HydrophobicContact CD1-CB 4.29Å; L225-F393 HydrophobicContact CD1-CD1 3.83Å; L225-F393 HydrophobicContact CD1-CD2 4.47Å; L225-F393 HydrophobicContact CD1-CE1 4.27Å; L225-F393 HydrophobicContact CD1-CG 3.95Å; L225-F393 HydrophobicContact CD2-CB 4.14Å; L225-F393 HydrophobicContact CD2-CD1 3.72Å; L225-F393 HydrophobicContact CD2-CG 4.22Å; L225-F393 HydrophobicContact CG-CD1 4.44Å; L225-F397 HydrophobicContact CD2-CE2 3.83Å; L225-F397 HydrophobicContact CD2-CZ 3.77Å; L225-F397 HydrophobicContact CG-CE2 4.33Å; L225-F397 HydrophobicContact CG-CZ 4.17Å
226S62.9Low71.4Confident43 Ų4344.9 Ų44.930%0.30124%0.235SC..G310 helixtrans-63.7-14172.947.40000114.5R224R224-S226 PolarHBondContact O-N 3.31Å; R224-S226 VanDerWaalsContact O-N 3.09Å
227S68.5Low71.7Confident82 Ų8245.2 Ų45.257%0.57324%0.237SC*.G310 helixtrans-92-3.7171.670.60000113.6R224 L225R224-S227 PolarHBondContact O-N 3.17Å; R224-S227 PolarHBondContact O-OG 3.49Å; L225-S227 PolarHBondContact O-N 2.97Å
228V72.6Confident71.8Confident9 Ų947.5 Ų47.56%0.05525%0.252CS..SBendtrans-99.7134.6178.4-175.40000109.1L225 L230 R232 I233 F397L225-V228 PolarHBondContact O-N 3.38Å; V228-L230 PolarHBondContact O-N 3.05Å; V228-R232 HydrophobicContact CG1-CB 3.98Å; V228-R232 HydrophobicContact CG1-CG 4.12Å; V228-I233 HydrophobicContact CB-CD1 4.26Å; V228-I233 HydrophobicContact CB-CG1 4.13Å; V228-I233 HydrophobicContact CG1-CG1 3.94Å; V228-F397 HydrophobicContact CG2-CD1 4Å; V228-F397 HydrophobicContact CG2-CE1 3.23Å; V228-F397 HydrophobicContact CG2-CZ 3.64Å
229P80.9Confident72.4Confident77 Ų7748.2 Ų48.250%0.527%0.266SS..  trans-54.7136.3174.6-25.834.4000112E231 R232 I233P229-E231 WeakPolarHBondContact CB-OE2 3.22Å; P229-E231 PolarHBondContact O-N 2.02Å; P229-E231 VanDerWaalsContact O-N 3.17Å; P229-R232 WeakPolarHBondContact O-CB 3.46Å; P229-R232 PolarHBondContact O-N 3.42Å; P229-I233 PolarHBondContact O-N 3.4Å; P229-I233 VanDerWaalsContact O-N 3.16Å
230L79.8Confident73.2Confident10 Ų1051.8 Ų51.85%0.05228%0.28CS..Hα-helixtrans-58.8-32-175.1-98.780.7000113.1V228 I233 L234 L247 Q259 L263V228-L230 PolarHBondContact O-N 3.05Å; L230-I233 WeakPolarHBondContact O-CB 3.35Å; L230-I233 PolarHBondContact O-N 2.94Å; L230-L234 WeakPolarHBondContact O-CB 3.36Å; L230-L234 PolarHBondContact O-N 3.43Å; L230-L247 HydrophobicContact CB-CD1 4.07Å; L230-L247 HydrophobicContact CD2-CD1 3.94Å; L230-Q259 HydrophobicContact CD1-CB 3.71Å; L230-Q259 HydrophobicContact CD1-CG 4.49Å; L230-Q259 HydrophobicContact CD2-CB 3.75Å; L230-Q259 HydrophobicContact CG-CB 4.27Å; L230-L263 HydrophobicContact CB-CD2 4.36Å; L230-L263 HydrophobicContact CD2-CB 4.34Å; L230-L263 HydrophobicContact CD2-CD2 4.15Å; L230-L263 HydrophobicContact CG-CD2 4.09Å
231E82.7Confident74.1Confident80 Ų8056.2 Ų56.237%0.37430%0.299SS..Hα-helixtrans-62.4-45.8175.9-58.685.2165.700110.4P229 I233 L234 E235 L247 K251P229-E231 WeakPolarHBondContact CB-OE2 3.22Å; P229-E231 PolarHBondContact O-N 2.02Å; P229-E231 VanDerWaalsContact O-N 3.17Å; E231-I233 VanDerWaalsContact C-N 3.27Å; E231-I233 PolarHBondContact O-N 3.16Å; E231-L234 WeakPolarHBondContact O-CB 3.45Å; E231-L234 PolarHBondContact O-N 2.75Å; E231-L234 VanDerWaalsContact O-N 3.14Å; E231-E235 WeakPolarHBondContact O-CG 3.32Å; E231-E235 PolarHBondContact O-N 3.5Å; E231-L247 HydrophobicContact CG-CD2 4.22Å; E231-K251 WeakPolarHBondContact OE1-CE 3.37Å; E231-K251 IonicContact OE1-NZ 3.53Å; E231-K251 PolarHBondContact OE1-NZ 3.09Å
232R80.4Confident75.1Confident90 Ų9056.2 Ų56.234%0.3430%0.299SS..Hα-helixtrans-65.7-34.4177.9-172.1172.9-177.1-173.4-0111V228 P229 N236 E400V228-R232 HydrophobicContact CG1-CB 3.98Å; V228-R232 HydrophobicContact CG1-CG 4.12Å; P229-R232 WeakPolarHBondContact O-CB 3.46Å; P229-R232 PolarHBondContact O-N 3.42Å; R232-N236 PolarHBondContact O-N 2.94Å; R232-N236 PolarHBondContact O-ND2 3.16Å; R232-E400 IonicContact NH1-OE1 2.54Å
233I79.4Confident76.1Confident0 Ų055.6 Ų55.60%029%0.289CS..Hα-helixtrans-63.7-49.8171.3-59.2174.3000110L225 V228 P229 L230 E231 E235 N236 L237 V260 L263 F393L225-I233 HydrophobicContact CB-CD1 4.28Å; L225-I233 HydrophobicContact CD2-CD1 4.46Å; V228-I233 HydrophobicContact CB-CD1 4.26Å; V228-I233 HydrophobicContact CB-CG1 4.13Å; V228-I233 HydrophobicContact CG1-CG1 3.94Å; P229-I233 PolarHBondContact O-N 3.4Å; P229-I233 VanDerWaalsContact O-N 3.16Å; L230-I233 WeakPolarHBondContact O-CB 3.35Å; L230-I233 PolarHBondContact O-N 2.94Å; E231-I233 VanDerWaalsContact C-N 3.27Å; E231-I233 PolarHBondContact O-N 3.16Å; I233-E235 VanDerWaalsContact C-N 3.33Å; I233-E235 PolarHBondContact O-N 2.58Å; I233-N236 PolarHBondContact O-N 3.47Å; I233-L237 HydrophobicContact CG2-CD1 4.42Å; I233-L237 WeakPolarHBondContact O-CG 3.27Å; I233-L237 PolarHBondContact O-N 2.77Å; I233-V260 HydrophobicContact CD1-CG1 4.36Å; I233-V260 HydrophobicContact CD1-CG2 3.78Å; I233-L263 HydrophobicContact CB-CD2 4.12Å; I233-L263 HydrophobicContact CG2-CD2 3.93Å; I233-F393 HydrophobicContact CG2-CE1 4.3Å
234L83.8Confident76.9Confident10 Ų1061.2 Ų61.25%0.05232%0.318CS..Hα-helixtrans-61.2-37.9-179.1-177.860.8000113.3L230 E231 N236 L237 K241 V242 L247 L263L230-L234 WeakPolarHBondContact O-CB 3.36Å; L230-L234 PolarHBondContact O-N 3.43Å; E231-L234 WeakPolarHBondContact O-CB 3.45Å; E231-L234 PolarHBondContact O-N 2.75Å; E231-L234 VanDerWaalsContact O-N 3.14Å; L234-N236 VanDerWaalsContact C-N 3.3Å; L234-N236 PolarHBondContact O-N 3.39Å; L234-L237 HydrophobicContact CD1-CD1 4.49Å; L234-L237 PolarHBondContact O-N 2.91Å; L234-K241 HydrophobicContact CD1-CB 4.01Å; L234-K241 HydrophobicContact CD1-CG 4.33Å; L234-K241 HydrophobicContact CG-CB 4.31Å; L234-K241 HydrophobicContact CG-CG 4.42Å; L234-V242 HydrophobicContact CD1-CB 4.01Å; L234-V242 HydrophobicContact CD1-CG2 4.17Å; L234-L247 HydrophobicContact CD2-CD1 4.42Å; L234-L247 HydrophobicContact CD2-CD2 3.95Å; L234-L263 HydrophobicContact CD1-CD1 4.34Å
235E80.8Confident77.7Confident117 Ų11758.6 Ų58.655%0.54731%0.312SS..Hα-helixtrans-65.4-31.9177.2-73.7-54.7127.400113.1E231 I233 K241E231-E235 WeakPolarHBondContact O-CG 3.32Å; E231-E235 PolarHBondContact O-N 3.5Å; I233-E235 VanDerWaalsContact C-N 3.33Å; I233-E235 PolarHBondContact O-N 2.58Å; E235-K241 IonicContact OE1-NZ 2.71Å; E235-K241 PolarHBondContact OE1-NZ 3.26Å; E235-K241 IonicContact OE2-NZ 2.63Å; E235-K241 PolarHBondContact OE2-NZ 3Å
236N76.9Confident78.4Confident74 Ų7459.7 Ų59.740%0.39632%0.32SS..Hα-helixtrans-88.6-8.6179.2-73.7-75.2000113R232 I233 L234 M392 M396R232-N236 PolarHBondContact O-N 2.94Å; R232-N236 PolarHBondContact O-ND2 3.16Å; I233-N236 PolarHBondContact O-N 3.47Å; L234-N236 VanDerWaalsContact C-N 3.3Å; L234-N236 PolarHBondContact O-N 3.39Å; N236-M392 WeakPolarHBondContact O-CE 3.34Å; N236-M396 HydrophobicContact CB-CE 3.77Å; N236-M396 HydrophobicContact CB-CG 4.44Å; N236-M396 HydrophobicContact CB-SD 3.65Å; N236-M396 WeakPolarHBondContact ND2-CE 3.24Å
237L78.8Confident79.2Confident9 Ų957.9 Ų57.95%0.04731%0.306CS..SBendtrans-76.9129.6175.1-73.2174.3000110.4I233 L234 L264 W267 F393I233-L237 HydrophobicContact CG2-CD1 4.42Å; I233-L237 WeakPolarHBondContact O-CG 3.27Å; I233-L237 PolarHBondContact O-N 2.77Å; L234-L237 HydrophobicContact CD1-CD1 4.49Å; L234-L237 PolarHBondContact O-N 2.91Å; L237-L264 HydrophobicContact CD1-CD2 4.12Å; L237-L264 HydrophobicContact CD2-CD2 3.9Å; L237-W267 HydrophobicContact CB-CG 4.42Å; L237-W267 HydrophobicContact CD1-CB 4.06Å; L237-W267 HydrophobicContact CD1-CD2 4.21Å; L237-W267 HydrophobicContact CD1-CG 3.79Å; L237-W267 HydrophobicContact CD2-CD2 4.2Å; L237-W267 HydrophobicContact CD2-CE3 4.44Å; L237-F393 HydrophobicContact CD2-CE1 4.23Å; L237-F393 HydrophobicContact CD2-CZ 3.79Å
238P74.9Confident79.8Confident47 Ų4757.9 Ų57.931%0.30530%0.297SS..  trans-76.6156-179.731.8-33.7000111.2W267 Y276P238-W267 HydrophobicContact CG-CZ2 3.97Å; P238-W267 WeakPolarHBondContact O-CZ2 3.44Å; P238-W267 PolarHBondContact O-NE1 2.88Å; P238-Y276 HydrophobicContact CB-CD1 4.38Å; P238-Y276 HydrophobicContact CB-CE1 3.74Å; P238-Y276 HydrophobicContact CG-CD1 3.91Å; P238-Y276 HydrophobicContact CG-CE1 3.77Å
239G78.1Confident79.8Confident41 Ų4163.2 Ų63.242%0.42332%0.316SS..SBendtrans90-151.617500000114.1Y276G239-Y276 WeakPolarHBondContact CA-OH 2.94Å; G239-Y276 PolarHBondContact N-OH 3.37Å
240Q81.4Confident79.6Confident103 Ų10360.2 Ų60.248%0.48130%0.296SS..SBendtrans-75.7127.4-179.8-169.8169.8-0.300110Q270 N271Q240-Q270 HydrophobicContact CB-CG 4.17Å; Q240-Q270 HydrophobicContact CG-CG 3.83Å; Q240-N271 PolarHBondContact N-OD1 3.34Å; Q240-N271 PolarHBondContact O-ND2 3.06Å
241K83.1Confident79.6Confident92 Ų9262.8 Ų62.840%0.431%0.307SS..PPolyproline II helixtrans-74.6144.4178.2-65179.9179-179.30110.7L234 E235 Q270L234-K241 HydrophobicContact CD1-CB 4.01Å; L234-K241 HydrophobicContact CD1-CG 4.33Å; L234-K241 HydrophobicContact CG-CB 4.31Å; L234-K241 HydrophobicContact CG-CG 4.42Å; E235-K241 IonicContact OE1-NZ 2.71Å; E235-K241 PolarHBondContact OE1-NZ 3.26Å; E235-K241 IonicContact OE2-NZ 2.63Å; E235-K241 PolarHBondContact OE2-NZ 3Å; K241-Q270 PolarHBondContact O-NE2 3.27Å; K241-Q270 PolarHBondContact O-OE1 3.35Å; K241-Q270 VanDerWaalsContact O-OE1 3.05Å
242V83Confident79.4Confident6 Ų667.3 Ų67.34%0.03633%0.326CS..PPolyproline II helixtrans-57.2139167.1-1780000109.6L234 L263 L266 W267 Q270L234-V242 HydrophobicContact CD1-CB 4.01Å; L234-V242 HydrophobicContact CD1-CG2 4.17Å; V242-L263 HydrophobicContact CB-CD1 4.16Å; V242-L263 HydrophobicContact CG1-CD1 4.42Å; V242-L263 HydrophobicContact CG2-CD1 4.03Å; V242-L266 HydrophobicContact CB-CB 4.5Å; V242-L266 HydrophobicContact CG1-CB 3.83Å; V242-L266 HydrophobicContact CG1-CD1 3.83Å; V242-L266 HydrophobicContact CG1-CG 4.49Å; V242-L266 HydrophobicContact CG2-CB 3.78Å; V242-W267 HydrophobicContact CG2-CB 3.84Å; V242-Q270 VanDerWaalsContact CA-OE1 3.28Å
243D81.8Confident78.8Confident69 Ų6965.6 Ų65.637%0.36933%0.331SS..PPolyproline II helixtrans-66.6146.2-178.973.4-86.5000112.2K245 S246 L247D243-K245 PolarHBondContact O-N 2.91Å; D243-K245 WeakPolarHBondContact OD2-CA 3.32Å; D243-K245 VanDerWaalsContact OD2-CB 3.24Å; D243-K245 WeakPolarHBondContact OD2-CB 3.49Å; D243-K245 PolarHBondContact OD2-N 3.2Å; D243-K245 VanDerWaalsContact OD2-N 3.12Å; D243-S246 PolarHBondContact O-N 3.45Å; D243-S246 VanDerWaalsContact O-N 3.17Å; D243-S246 VanDerWaalsContact OD1-CB 3.26Å; D243-S246 WeakPolarHBondContact OD1-CB 3.47Å; D243-S246 PolarHBondContact OD1-OG 2.97Å; D243-S246 PolarHBondContact OD2-N 2.79Å; D243-S246 PolarHBondContact OD2-OG 2.86Å; D243-S246 VanDerWaalsContact OD2-OG 3.11Å; D243-L247 PolarHBondContact O-N 3.39Å
244L79.1Confident78.3Confident134 Ų13466.2 Ų66.270%0.70234%0.335SS*.Hα-helixtrans-58.4-31.9-178.2-80.6148.9000112.9L247 E248L244-L247 PolarHBondContact O-N 3.49Å; L244-E248 WeakPolarHBondContact O-CG 3.48Å; L244-E248 PolarHBondContact O-N 3.19Å
245K80.2Confident77.8Confident138 Ų13867.5 Ų67.560%0.635%0.345SS*.Hα-helixtrans-69-40-179.4-166.4-174.4-167.7-179.70110.8D243 R249D243-K245 PolarHBondContact O-N 2.91Å; D243-K245 WeakPolarHBondContact OD2-CA 3.32Å; D243-K245 VanDerWaalsContact OD2-CB 3.24Å; D243-K245 WeakPolarHBondContact OD2-CB 3.49Å; D243-K245 PolarHBondContact OD2-N 3.2Å; D243-K245 VanDerWaalsContact OD2-N 3.12Å; K245-R249 VanDerWaalsContact O-CD 3.3Å; K245-R249 WeakPolarHBondContact O-CD 3.41Å; K245-R249 WeakPolarHBondContact O-CG 3.38Å; K245-R249 PolarHBondContact O-N 3.13Å
246S77.9Confident77.5Confident23 Ų2365.5 Ų65.516%0.16134%0.341CS..Hα-helixtrans-68.7-40173.9-62.50000111.7D243 R249 L250D243-S246 PolarHBondContact O-N 3.45Å; D243-S246 VanDerWaalsContact O-N 3.17Å; D243-S246 VanDerWaalsContact OD1-CB 3.26Å; D243-S246 WeakPolarHBondContact OD1-CB 3.47Å; D243-S246 PolarHBondContact OD1-OG 2.97Å; D243-S246 PolarHBondContact OD2-N 2.79Å; D243-S246 PolarHBondContact OD2-OG 2.86Å; D243-S246 VanDerWaalsContact OD2-OG 3.11Å; S246-R249 PolarHBondContact O-N 3.34Å; S246-L250 WeakPolarHBondContact O-CG 3.38Å; S246-L250 PolarHBondContact O-N 3Å
247L80.1Confident77Confident4 Ų466 Ų662%0.02134%0.341CS..Hα-helixtrans-60.5-48.3176.9-168.568.1000112.6L230 E231 L234 D243 L244 R249 L250 K251 L263L230-L247 HydrophobicContact CB-CD1 4.07Å; L230-L247 HydrophobicContact CD2-CD1 3.94Å; E231-L247 HydrophobicContact CG-CD2 4.22Å; L234-L247 HydrophobicContact CD2-CD1 4.42Å; L234-L247 HydrophobicContact CD2-CD2 3.95Å; D243-L247 PolarHBondContact O-N 3.39Å; L244-L247 PolarHBondContact O-N 3.49Å; L247-R249 VanDerWaalsContact C-N 3.28Å; L247-R249 PolarHBondContact O-N 3.1Å; L247-L250 PolarHBondContact O-N 3.01Å; L247-K251 PolarHBondContact O-N 2.96Å; L247-L263 HydrophobicContact CD1-CD1 3.66Å
248E80.5Confident76.7Confident82 Ų8267.3 Ų67.338%0.38335%0.347SS..Hα-helixtrans-65.4-31.4178.4-74.4-54.7135.900113L244 K251 K252L244-E248 WeakPolarHBondContact O-CG 3.48Å; L244-E248 PolarHBondContact O-N 3.19Å; E248-K251 IonicContact OE1-NZ 2.65Å; E248-K251 PolarHBondContact OE1-NZ 3.13Å; E248-K251 IonicContact OE2-NZ 3.5Å; E248-K252 WeakPolarHBondContact O-CG 3.45Å; E248-K252 PolarHBondContact O-N 3.19Å
249R72.6Confident76.9Confident121 Ų12166.4 Ų66.446%0.45734%0.339SS..Hα-helixtrans-69.6-39.5174.3-73.5166.4179.5172.6-13.8112.1K245 S246 L247 K251 K252 A253K245-R249 VanDerWaalsContact O-CD 3.3Å; K245-R249 WeakPolarHBondContact O-CD 3.41Å; K245-R249 WeakPolarHBondContact O-CG 3.38Å; K245-R249 PolarHBondContact O-N 3.13Å; S246-R249 PolarHBondContact O-N 3.34Å; L247-R249 VanDerWaalsContact C-N 3.28Å; L247-R249 PolarHBondContact O-N 3.1Å; R249-K251 VanDerWaalsContact C-N 3.34Å; R249-K251 PolarHBondContact O-N 2.69Å; R249-K252 PolarHBondContact O-N 3.45Å; R249-A253 WeakPolarHBondContact O-CB 3.41Å; R249-A253 PolarHBondContact O-N 3.26Å
250L76.8Confident76.9Confident14 Ų1464.5 Ų64.57%0.07332%0.319CS..Hα-helixtrans-60.7-43.5176.4-70.9-179.5000111.9S246 L247 K252 A253 C254 Q259 H262 L263 L266S246-L250 WeakPolarHBondContact O-CG 3.38Å; S246-L250 PolarHBondContact O-N 3Å; L247-L250 PolarHBondContact O-N 3.01Å; L250-K252 PolarHBondContact O-N 2.99Å; L250-A253 PolarHBondContact O-N 3.36Å; L250-C254 VanDerWaalsContact O-CB 3.28Å; L250-C254 WeakPolarHBondContact O-CB 3.4Å; L250-C254 PolarHBondContact O-N 3.12Å; L250-C254 VanDerWaalsContact O-N 3.08Å; L250-Q259 WeakPolarHBondContact O-CG 3.43Å; L250-H262 HydrophobicContact CD1-CB 4.22Å; L250-H262 HydrophobicContact CD2-CB 3.53Å; L250-L263 HydrophobicContact CD1-CB 4.13Å; L250-L266 HydrophobicContact CD1-CD1 3.93Å; L250-L266 HydrophobicContact CG-CD1 4.4Å
251K79.9Confident76.5Confident64 Ų6459.9 Ų59.928%0.27830%0.298SS..Hα-helixtrans-59.9-33.9177.5-67.4176.1-174.6169.80113.1E231 L247 E248 R249 Q259E231-K251 WeakPolarHBondContact OE1-CE 3.37Å; E231-K251 IonicContact OE1-NZ 3.53Å; E231-K251 PolarHBondContact OE1-NZ 3.09Å; L247-K251 PolarHBondContact O-N 2.96Å; E248-K251 IonicContact OE1-NZ 2.65Å; E248-K251 PolarHBondContact OE1-NZ 3.13Å; E248-K251 IonicContact OE2-NZ 3.5Å; R249-K251 VanDerWaalsContact C-N 3.34Å; R249-K251 PolarHBondContact O-N 2.69Å; K251-Q259 PolarHBondContact O-NE2 3.33Å
252K77.6Confident76.2Confident176 Ų17656.4 Ų56.477%0.76528%0.283SS*.Hα-helixtrans-80.9-33.6-179-69.8178.4-177-174.70113.4E248 R249 L250E248-K252 WeakPolarHBondContact O-CG 3.45Å; E248-K252 PolarHBondContact O-N 3.19Å; R249-K252 PolarHBondContact O-N 3.45Å; L250-K252 PolarHBondContact O-N 2.99Å
253A67.3Low76.1Confident54 Ų5456.1 Ų56.145%0.44628%0.281SS..Hα-helixtrans-103.4-16.9-168.200000114.8R249 L250R249-A253 WeakPolarHBondContact O-CB 3.41Å; R249-A253 PolarHBondContact O-N 3.26Å; L250-A253 PolarHBondContact O-N 3.36Å
254C70.8Confident75.9Confident13 Ų1352.8 Ų52.89%0.08826%0.264CS..SBendtrans-124.7149.1-165.6-53.20000112.4C198 L250 Q258 Q259C198-C254 HydrophobicContact CB-CB 3.72Å; C198-C254 WeakPolarHBondContact CB-SG 3.36Å; C198-C254 WeakPolarHBondContact SG-CB 3.23Å; C198-C254 CovalentContact SG-SG 2.01Å; C198-C254 PolarHBondContact SG-SG 3.26Å; L250-C254 VanDerWaalsContact O-CB 3.28Å; L250-C254 WeakPolarHBondContact O-CB 3.4Å; L250-C254 PolarHBondContact O-N 3.12Å; L250-C254 VanDerWaalsContact O-N 3.08Å; C254-Q258 HydrophobicContact CB-CB 3.88Å; C254-Q259 HydrophobicContact CB-CG 3.68Å; C254-Q259 WeakPolarHBondContact O-CG 3.47Å; C254-Q259 PolarHBondContact O-NE2 3.07Å
255S72.9Confident75.9Confident37 Ų3747.4 Ų47.426%0.25923%0.234SC..  trans-66157.1167.466.80000111.5Q257 Q258 Q259S255-Q257 PolarHBondContact O-N 2.89Å; S255-Q258 CarbonylContact O-C 3.18Å; S255-Q258 WeakPolarHBondContact O-CA 3.49Å; S255-Q258 WeakPolarHBondContact O-CB 3.06Å; S255-Q258 PolarHBondContact O-N 3.15Å; S255-Q258 VanDerWaalsContact OG-CD 3.29Å; S255-Q258 VanDerWaalsContact OG-CG 3.31Å; S255-Q258 WeakPolarHBondContact OG-CG 3.48Å; S255-Q258 PolarHBondContact OG-OE1 3.42Å; S255-Q259 VanDerWaalsContact O-CG 3.31Å; S255-Q259 WeakPolarHBondContact O-CG 3.04Å; S255-Q259 PolarHBondContact O-N 3.43Å
256P73.3Confident75.8Confident74 Ų7443 Ų4348%0.48122%0.217SC..Hα-helixtrans-52.8-34-177.7-29.535.9000114.8V260P256-V260 PolarHBondContact O-N 3.4Å
257Q67.1Low75.9Confident84 Ų8442 Ų4239%0.39321%0.209SC..Hα-helixtrans-71.7-40.7175.8-69.6172.1-6.500112.2S255 L261S255-Q257 PolarHBondContact O-N 2.89Å; Q257-L261 PolarHBondContact O-N 3.07Å
258Q73.3Confident75.7Confident37 Ų3742.5 Ų42.517%0.17321%0.211CC..Hα-helixtrans-69.8-35.2175.9-69.4168.8-48.400111.7C198 C254 S255 V260 L261 H262C198-Q258 PolarHBondContact O-NE2 3.03Å; C254-Q258 HydrophobicContact CB-CB 3.88Å; S255-Q258 CarbonylContact O-C 3.18Å; S255-Q258 WeakPolarHBondContact O-CA 3.49Å; S255-Q258 WeakPolarHBondContact O-CB 3.06Å; S255-Q258 PolarHBondContact O-N 3.15Å; S255-Q258 VanDerWaalsContact OG-CD 3.29Å; S255-Q258 VanDerWaalsContact OG-CG 3.31Å; S255-Q258 WeakPolarHBondContact OG-CG 3.48Å; S255-Q258 PolarHBondContact OG-OE1 3.42Å; Q258-V260 PolarHBondContact O-N 3.24Å; Q258-L261 PolarHBondContact O-N 3.06Å; Q258-H262 WeakPolarHBondContact O-CB 3.27Å; Q258-H262 PolarHBondContact O-CD2 2.83Å; Q258-H262 PolarHBondContact O-N 3.19Å
259Q78.8Confident75.5Confident28 Ų2842.3 Ų42.313%0.13121%0.21CC..Hα-helixtrans-55.9-48.6177-73176.420.200111.4L230 L250 K251 C254 S255 L263L230-Q259 HydrophobicContact CD1-CB 3.71Å; L230-Q259 HydrophobicContact CD1-CG 4.49Å; L230-Q259 HydrophobicContact CD2-CB 3.75Å; L230-Q259 HydrophobicContact CG-CB 4.27Å; L250-Q259 WeakPolarHBondContact O-CG 3.43Å; K251-Q259 PolarHBondContact O-NE2 3.33Å; C254-Q259 HydrophobicContact CB-CG 3.68Å; C254-Q259 WeakPolarHBondContact O-CG 3.47Å; C254-Q259 PolarHBondContact O-NE2 3.07Å; S255-Q259 VanDerWaalsContact O-CG 3.31Å; S255-Q259 WeakPolarHBondContact O-CG 3.04Å; S255-Q259 PolarHBondContact O-N 3.43Å; Q259-L263 WeakPolarHBondContact O-CB 3.37Å; Q259-L263 PolarHBondContact O-N 3.06Å
260V77Confident75.6Confident1 Ų139.6 Ų39.61%0.00620%0.203CC..Hα-helixtrans-64.5-44.9177.6178.70000111.6A221 L225 I233 P256 Q258 H262 L263 L264A221-V260 HydrophobicContact CB-CG1 4.26Å; L225-V260 HydrophobicContact CB-CG1 3.97Å; L225-V260 HydrophobicContact CB-CG2 4.35Å; L225-V260 HydrophobicContact CD1-CG1 4.25Å; I233-V260 HydrophobicContact CD1-CG1 4.36Å; I233-V260 HydrophobicContact CD1-CG2 3.78Å; P256-V260 PolarHBondContact O-N 3.4Å; Q258-V260 PolarHBondContact O-N 3.24Å; V260-H262 PolarHBondContact O-N 3.46Å; V260-L263 PolarHBondContact O-N 2.94Å; V260-L264 HydrophobicContact CG1-CD1 4.27Å; V260-L264 WeakPolarHBondContact O-CG 3.4Å; V260-L264 PolarHBondContact O-N 2.98Å
261L74.2Confident75.5Confident7 Ų739.1 Ų39.14%0.03720%0.2CC..Hα-helixtrans-59.7-47.7179.2179.466.3000111.8F217 Q257 Q258 L264 R265F217-L261 HydrophobicContact CB-CD1 3.47Å; F217-L261 VanDerWaalsContact CB-CD1 3.47Å; Q257-L261 PolarHBondContact O-N 3.07Å; Q258-L261 PolarHBondContact O-N 3.06Å; L261-L264 PolarHBondContact O-N 2.89Å; L261-R265 WeakPolarHBondContact O-CG 3.36Å; L261-R265 PolarHBondContact O-N 3.45Å
262H76.1Confident74.9Confident18 Ų1841.4 Ų41.48%0.08321%0.21CC..Hα-helixtrans-73.2-32.7-178.6-76.5-109.8000112.2L250 Q258 V260 R265 L266L250-H262 HydrophobicContact CD1-CB 4.22Å; L250-H262 HydrophobicContact CD2-CB 3.53Å; Q258-H262 WeakPolarHBondContact O-CB 3.27Å; Q258-H262 PolarHBondContact O-CD2 2.83Å; Q258-H262 PolarHBondContact O-N 3.19Å; V260-H262 PolarHBondContact O-N 3.46Å; H262-R265 WeakPolarHBondContact O-CB 3.11Å; H262-R265 PolarHBondContact O-N 2.86Å; H262-L266 WeakPolarHBondContact O-CG 3.33Å; H262-L266 PolarHBondContact O-N 3.49Å
263L81.1Confident74.2Confident0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-59.1-48171.4179.865.3000111.2L230 I233 L234 V242 L247 L250 Q259 V260 R265 L266 W267L230-L263 HydrophobicContact CB-CD2 4.36Å; L230-L263 HydrophobicContact CD2-CB 4.34Å; L230-L263 HydrophobicContact CD2-CD2 4.15Å; L230-L263 HydrophobicContact CG-CD2 4.09Å; I233-L263 HydrophobicContact CB-CD2 4.12Å; I233-L263 HydrophobicContact CG2-CD2 3.93Å; L234-L263 HydrophobicContact CD1-CD1 4.34Å; V242-L263 HydrophobicContact CB-CD1 4.16Å; V242-L263 HydrophobicContact CG1-CD1 4.42Å; V242-L263 HydrophobicContact CG2-CD1 4.03Å; L247-L263 HydrophobicContact CD1-CD1 3.66Å; L250-L263 HydrophobicContact CD1-CB 4.13Å; Q259-L263 WeakPolarHBondContact O-CB 3.37Å; Q259-L263 PolarHBondContact O-N 3.06Å; V260-L263 PolarHBondContact O-N 2.94Å; L263-R265 VanDerWaalsContact C-N 3.28Å; L263-R265 PolarHBondContact O-N 2.92Å; L263-L266 PolarHBondContact O-N 3.3Å; L263-W267 WeakPolarHBondContact O-CB 3.39Å; L263-W267 PolarHBondContact O-N 2.88Å
264L78.6Confident74Confident0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-63.9-33.1178.3-68.3174.9000112.5F217 L220 L237 V260 L261 R268 F393F217-L264 HydrophobicContact CB-CD1 4.23Å; F217-L264 HydrophobicContact CD1-CB 3.9Å; F217-L264 HydrophobicContact CD1-CD1 3.94Å; F217-L264 HydrophobicContact CD1-CG 4.5Å; F217-L264 HydrophobicContact CD2-CB 4.48Å; F217-L264 HydrophobicContact CE1-CB 4.08Å; F217-L264 HydrophobicContact CG-CB 4.12Å; F217-L264 HydrophobicContact CG-CD1 4.33Å; F217-L264 HydrophobicContact CZ-CB 4.45Å; L220-L264 HydrophobicContact CB-CD1 4.37Å; L220-L264 HydrophobicContact CD1-CD1 4.47Å; L237-L264 HydrophobicContact CD1-CD2 4.12Å; L237-L264 HydrophobicContact CD2-CD2 3.9Å; V260-L264 HydrophobicContact CG1-CD1 4.27Å; V260-L264 WeakPolarHBondContact O-CG 3.4Å; V260-L264 PolarHBondContact O-N 2.98Å; L261-L264 PolarHBondContact O-N 2.89Å; L264-R268 WeakPolarHBondContact O-CB 3.13Å; L264-R268 PolarHBondContact O-N 3.18Å; L264-F393 HydrophobicContact CD2-CZ 4.22Å
265R77.9Confident73.1Confident21 Ų2149.6 Ų49.68%0.07925%0.248CC..Hα-helixtrans-65.5-50.4172.9-76.1173159.1149.26.4112.2E213 E214 F217 L261 H262 L263 W267 R268 E269E213-R265 IonicContact OE2-CZ 2.69Å; E213-R265 IonicContact OE2-NE 3.88Å; E213-R265 PolarHBondContact OE2-NE 2.82Å; E213-R265 IonicContact OE2-NH2 3.87Å; E214-R265 IonicContact OE1-CZ 3.67Å; E214-R265 IonicContact OE1-NH1 2.76Å; E214-R265 IonicContact OE1-NH2 3.63Å; E214-R265 PolarHBondContact OE1-NH2 3.43Å; F217-R265 HydrophobicContact CD2-CG 4.21Å; F217-R265 HydrophobicContact CE2-CG 4.22Å; L261-R265 WeakPolarHBondContact O-CG 3.36Å; L261-R265 PolarHBondContact O-N 3.45Å; H262-R265 WeakPolarHBondContact O-CB 3.11Å; H262-R265 PolarHBondContact O-N 2.86Å; L263-R265 VanDerWaalsContact C-N 3.28Å; L263-R265 PolarHBondContact O-N 2.92Å; R265-W267 VanDerWaalsContact C-N 3.27Å; R265-W267 PolarHBondContact O-N 3.33Å; R265-R268 PolarHBondContact O-N 3.03Å; R265-E269 WeakPolarHBondContact O-CG 3.43Å; R265-E269 PolarHBondContact O-N 3.27Å
266L77.9Confident72.7Confident45 Ų4550.2 Ų50.224%0.23624%0.244CC..Hα-helixtrans-61.2-40.6177.6-70175.8000111.2V242 L250 H262 L263 R268 E269 Q270V242-L266 HydrophobicContact CB-CB 4.5Å; V242-L266 HydrophobicContact CG1-CB 3.83Å; V242-L266 HydrophobicContact CG1-CD1 3.83Å; V242-L266 HydrophobicContact CG1-CG 4.49Å; V242-L266 HydrophobicContact CG2-CB 3.78Å; L250-L266 HydrophobicContact CD1-CD1 3.93Å; L250-L266 HydrophobicContact CG-CD1 4.4Å; H262-L266 WeakPolarHBondContact O-CG 3.33Å; H262-L266 PolarHBondContact O-N 3.49Å; L263-L266 PolarHBondContact O-N 3.3Å; L266-R268 PolarHBondContact O-N 3.3Å; L266-E269 PolarHBondContact O-N 3.1Å; L266-Q270 PolarHBondContact O-N 2.95Å; L266-Q270 VanDerWaalsContact O-N 3.09Å
267W80.9Confident72.2Confident2 Ų248.1 Ų48.11%0.00824%0.237CC..Hα-helixtrans-61-44175.5172.674000112.1L237 P238 V242 L263 R265 E269 Q270 N271 Y276 I278 I279L237-W267 HydrophobicContact CB-CG 4.42Å; L237-W267 HydrophobicContact CD1-CB 4.06Å; L237-W267 HydrophobicContact CD1-CD2 4.21Å; L237-W267 HydrophobicContact CD1-CG 3.79Å; L237-W267 HydrophobicContact CD2-CD2 4.2Å; L237-W267 HydrophobicContact CD2-CE3 4.44Å; P238-W267 HydrophobicContact CG-CZ2 3.97Å; P238-W267 WeakPolarHBondContact O-CZ2 3.44Å; P238-W267 PolarHBondContact O-NE1 2.88Å; V242-W267 HydrophobicContact CG2-CB 3.84Å; L263-W267 WeakPolarHBondContact O-CB 3.39Å; L263-W267 PolarHBondContact O-N 2.88Å; R265-W267 VanDerWaalsContact C-N 3.27Å; R265-W267 PolarHBondContact O-N 3.33Å; W267-E269 PolarHBondContact O-N 2.04Å; W267-Q270 PolarHBondContact O-N 2.78Å; W267-N271 PolarHBondContact NE1-ND2 3.4Å; W267-N271 WeakPolarHBondContact O-CB 3.4Å; W267-N271 PolarHBondContact O-N 2.89Å; W267-N271 PolarHBondContact O-ND2 2.67Å; W267-Y276 HydrophobicContact CH2-CG 4.38Å; W267-Y276 HydrophobicContact CZ2-CD2 4.26Å; W267-Y276 HydrophobicContact CZ2-CG 4.33Å; W267-I278 HydrophobicContact CZ3-CD1 4.46Å; W267-I279 HydrophobicContact CZ3-CG1 4.46Å
268R75.9Confident72.1Confident15 Ų1544.2 Ų44.26%0.05722%0.219CC..Hα-helixtrans-59.1-46.7173.9176.7-174177.6-166.82.4111.2E213 F217 L264 R265 L266 Q270 N271 K272 I279 V282 N283 E286E213-R268 VanDerWaalsContact CD-NH1 3.31Å; E213-R268 IonicContact OE1-CZ 2.81Å; E213-R268 IonicContact OE1-NH1 3.84Å; E213-R268 PolarHBondContact OE1-NH1 2.99Å; F217-R268 HydrophobicContact CZ-CB 4.27Å; L264-R268 WeakPolarHBondContact O-CB 3.13Å; L264-R268 PolarHBondContact O-N 3.18Å; R265-R268 PolarHBondContact O-N 3.03Å; L266-R268 PolarHBondContact O-N 3.3Å; R268-Q270 VanDerWaalsContact C-N 3.29Å; R268-Q270 PolarHBondContact O-N 2.87Å; R268-N271 CarbonylContact O-C 3.44Å; R268-N271 PolarHBondContact O-N 3.3Å; R268-N271 VanDerWaalsContact O-N 3.1Å; R268-K272 PolarHBondContact O-N 2.87Å; R268-K272 VanDerWaalsContact O-N 3.13Å; R268-I279 HydrophobicContact CG-CD1 4.27Å; R268-I279 HydrophobicContact CG-CG1 4.17Å; R268-I279 HydrophobicContact CG-CG2 4.41Å; R268-V282 VanDerWaalsContact NH1-CG1 3.3Å; R268-N283 PolarHBondContact NH2-OD1 3.16Å; R268-E286 IonicContact CZ-OE1 2.62Å; R268-E286 IonicContact CZ-OE2 3.32Å; R268-E286 IonicContact NH1-OE1 3.2Å; R268-E286 PolarHBondContact NH1-OE1 3.02Å; R268-E286 IonicContact NH1-OE2 3.56Å; R268-E286 VanDerWaalsContact NH2-CD 3.3Å; R268-E286 IonicContact NH2-OE1 3.85Å; R268-E286 PolarHBondContact NH2-OE1 3.33Å; R268-E286 VanDerWaalsContact NH2-OE1 3.13Å; R268-E286 IonicContact NH2-OE2 2.74Å; R268-E286 PolarHBondContact NH2-OE2 3.37Å
269E74.9Confident71.8Confident77 Ų7742.7 Ų42.736%0.3621%0.211SC..Hα-helixtrans-59.4-41.1-177.3-72.6-66.811200112.3R265 L266 W267 N271 K272R265-E269 WeakPolarHBondContact O-CG 3.43Å; R265-E269 PolarHBondContact O-N 3.27Å; L266-E269 PolarHBondContact O-N 3.1Å; W267-E269 PolarHBondContact O-N 2.04Å; E269-N271 PolarHBondContact O-N 3.19Å; E269-K272 WeakPolarHBondContact O-CG 3.09Å; E269-K272 WeakPolarHBondContact OE1-CE 3.16Å; E269-K272 IonicContact OE1-NZ 3.91Å; E269-K272 PolarHBondContact OE1-NZ 3.34Å; E269-K272 WeakPolarHBondContact OE2-CE 3.38Å; E269-K272 IonicContact OE2-NZ 2.72Å; E269-K272 PolarHBondContact OE2-NZ 3.07Å
270Q75.8Confident71.3Confident65 Ų6545.7 Ų45.730%0.30423%0.226SC..Hα-helixtrans-77.1-11.2-179.6-158.2159.510.800113.5Q240 K241 V242 L266 W267 R268Q240-Q270 HydrophobicContact CB-CG 4.17Å; Q240-Q270 HydrophobicContact CG-CG 3.83Å; K241-Q270 PolarHBondContact O-NE2 3.27Å; K241-Q270 PolarHBondContact O-OE1 3.35Å; K241-Q270 VanDerWaalsContact O-OE1 3.05Å; V242-Q270 VanDerWaalsContact CA-OE1 3.28Å; L266-Q270 PolarHBondContact O-N 2.95Å; L266-Q270 VanDerWaalsContact O-N 3.09Å; W267-Q270 PolarHBondContact O-N 2.78Å; R268-Q270 VanDerWaalsContact C-N 3.29Å; R268-Q270 PolarHBondContact O-N 2.87Å
271N73.8Confident71Confident3 Ų346.4 Ų46.42%0.01623%0.233CC..THydrogen-bonded Turntrans-122.120.7-177.1-69.5-82.7000113.2Q240 W267 R268 E269 D273 K274 Y276 I279Q240-N271 PolarHBondContact N-OD1 3.34Å; Q240-N271 PolarHBondContact O-ND2 3.06Å; W267-N271 PolarHBondContact NE1-ND2 3.4Å; W267-N271 WeakPolarHBondContact O-CB 3.4Å; W267-N271 PolarHBondContact O-N 2.89Å; W267-N271 PolarHBondContact O-ND2 2.67Å; R268-N271 CarbonylContact O-C 3.44Å; R268-N271 PolarHBondContact O-N 3.3Å; R268-N271 VanDerWaalsContact O-N 3.1Å; E269-N271 PolarHBondContact O-N 3.19Å; N271-D273 PolarHBondContact O-N 2.86Å; N271-D273 VanDerWaalsContact O-N 3.1Å; N271-K274 PolarHBondContact O-N 3.49Å; N271-Y276 HydrophobicContact CB-CD2 4.16Å; N271-Y276 HydrophobicContact CB-CE2 3.93Å; N271-I279 HydrophobicContact CB-CD1 4.14Å
272K67.9Low70.9Confident113 Ų11346 Ų4649%0.49123%0.231SC..THydrogen-bonded Turntrans-51.5-35.2-176.1-77.9178.9-174.2-177.80114.6R268 E269R268-K272 PolarHBondContact O-N 2.87Å; R268-K272 VanDerWaalsContact O-N 3.13Å; E269-K272 WeakPolarHBondContact O-CG 3.09Å; E269-K272 WeakPolarHBondContact OE1-CE 3.16Å; E269-K272 IonicContact OE1-NZ 3.91Å; E269-K272 PolarHBondContact OE1-NZ 3.34Å; E269-K272 WeakPolarHBondContact OE2-CE 3.38Å; E269-K272 IonicContact OE2-NZ 2.72Å; E269-K272 PolarHBondContact OE2-NZ 3.07Å
273D62.1Low70.6Confident158 Ų15847.3 Ų47.385%0.84524%0.238SC*.THydrogen-bonded Turntrans-91.9-4.7-174.9-57.6-40.1000113.9N271N271-D273 PolarHBondContact O-N 2.86Å; N271-D273 VanDerWaalsContact O-N 3.1Å
274K63.6Low70.3Confident116 Ų11652 Ų5250%0.50426%0.26SS..SBendtrans-104.5115.3177.8-69.2180-177.4174.10108.7N271 Y276N271-K274 PolarHBondContact O-N 3.49Å; K274-Y276 HydrophobicContact CB-CD2 4Å; K274-Y276 HydrophobicContact CB-CE2 3.46Å; K274-Y276 VanDerWaalsContact CB-CE2 3.46Å; K274-Y276 HydrophobicContact CD-CE2 4.41Å; K274-Y276 VanDerWaalsContact O-CD2 3.22Å; K274-Y276 WeakPolarHBondContact O-CD2 3.19Å; K274-Y276 PolarHBondContact O-N 3.36Å
275L52.3Low70.1Confident141 Ų14152.2 Ų52.274%0.73826%0.261SS*.  trans-69.572.4-174-84.7155.4000112.3Q280L275-Q280 HydrophobicContact CD2-CG 3.42Å; L275-Q280 VanDerWaalsContact CD2-CG 3.42Å
276Y65.1Low70Confident49 Ų4952.7 Ų52.719%0.19227%0.265CS..  trans-77.7136.6166.3-62.8-72.6000109.7P238 G239 W267 N271 K274 I278 I279 Q280P238-Y276 HydrophobicContact CB-CD1 4.38Å; P238-Y276 HydrophobicContact CB-CE1 3.74Å; P238-Y276 HydrophobicContact CG-CD1 3.91Å; P238-Y276 HydrophobicContact CG-CE1 3.77Å; G239-Y276 WeakPolarHBondContact CA-OH 2.94Å; G239-Y276 PolarHBondContact N-OH 3.37Å; W267-Y276 HydrophobicContact CH2-CG 4.38Å; W267-Y276 HydrophobicContact CZ2-CD2 4.26Å; W267-Y276 HydrophobicContact CZ2-CG 4.33Å; N271-Y276 HydrophobicContact CB-CD2 4.16Å; N271-Y276 HydrophobicContact CB-CE2 3.93Å; K274-Y276 HydrophobicContact CB-CD2 4Å; K274-Y276 HydrophobicContact CB-CE2 3.46Å; K274-Y276 VanDerWaalsContact CB-CE2 3.46Å; K274-Y276 HydrophobicContact CD-CE2 4.41Å; K274-Y276 VanDerWaalsContact O-CD2 3.22Å; K274-Y276 WeakPolarHBondContact O-CD2 3.19Å; K274-Y276 PolarHBondContact O-N 3.36Å; Y276-I278 VanDerWaalsContact C-N 3.26Å; Y276-I278 PolarHBondContact O-N 3.32Å; Y276-I278 VanDerWaalsContact O-N 3.17Å; Y276-I279 HydrophobicContact CD2-CD1 3.94Å; Y276-I279 PolarHBondContact O-N 2.94Å; Y276-Q280 PolarHBondContact O-N 2.05Å
277G62.7Low69.7Low31 Ų3157.8 Ų57.832%0.3228%0.28SS..Hα-helixtrans-57.8-28.8-176.100000115.2G281 Y389G277-G281 PolarHBondContact O-N 3.01Å; G277-Y389 PolarHBondContact N-OH 2.54Å
278I64.8Low69.4Low2 Ų262.2 Ų62.21%0.0130%0.3CS..Hα-helixtrans-64.7-50.8170.1-68.2164.1000110.3V216 F217 L220 W267 Y276 Q280 G281 V282 Y389V216-I278 HydrophobicContact CG1-CG2 4.1Å; F217-I278 HydrophobicContact CE1-CG2 3.83Å; L220-I278 HydrophobicContact CD1-CD1 4.27Å; W267-I278 HydrophobicContact CZ3-CD1 4.46Å; Y276-I278 VanDerWaalsContact C-N 3.26Å; Y276-I278 PolarHBondContact O-N 3.32Å; Y276-I278 VanDerWaalsContact O-N 3.17Å; I278-Q280 VanDerWaalsContact C-N 3.29Å; I278-Q280 PolarHBondContact O-N 2.88Å; I278-G281 WeakPolarHBondContact O-CA 3.06Å; I278-G281 PolarHBondContact O-N 2.83Å; I278-V282 HydrophobicContact CG2-CG2 4.05Å; I278-V282 WeakPolarHBondContact O-CG2 3.41Å; I278-V282 PolarHBondContact O-N 2.97Å; I278-Y389 HydrophobicContact CB-CD2 4.49Å; I278-Y389 HydrophobicContact CB-CE2 4.3Å; I278-Y389 HydrophobicContact CD1-CD1 3.17Å; I278-Y389 HydrophobicContact CD1-CD2 3.75Å; I278-Y389 HydrophobicContact CD1-CE1 3.5Å; I278-Y389 HydrophobicContact CD1-CE2 4.09Å; I278-Y389 HydrophobicContact CD1-CG 3.25Å; I278-Y389 HydrophobicContact CG1-CD1 3.66Å; I278-Y389 HydrophobicContact CG1-CD2 3.23Å; I278-Y389 HydrophobicContact CG1-CE1 3.75Å; I278-Y389 HydrophobicContact CG1-CE2 3.38Å; I278-Y389 HydrophobicContact CG1-CG 3.34Å; I278-Y389 PolarHBondContact N-OH 2.78Å
279I66.3Low69.3Low4 Ų461.6 Ų61.62%0.02130%0.298CS..Hα-helixtrans-62.5-41.6-175.6-58-177.5000109.4W267 R268 N271 Y276 G281 V282 N283W267-I279 HydrophobicContact CZ3-CG1 4.46Å; R268-I279 HydrophobicContact CG-CD1 4.27Å; R268-I279 HydrophobicContact CG-CG1 4.17Å; R268-I279 HydrophobicContact CG-CG2 4.41Å; N271-I279 HydrophobicContact CB-CD1 4.14Å; Y276-I279 HydrophobicContact CD2-CD1 3.94Å; Y276-I279 PolarHBondContact O-N 2.94Å; I279-G281 PolarHBondContact O-N 3.07Å; I279-V282 PolarHBondContact O-N 3.48Å; I279-N283 VanDerWaalsContact O-CB 3.22Å; I279-N283 WeakPolarHBondContact O-CB 3.27Å; I279-N283 PolarHBondContact O-N 2.97Å; I279-N283 PolarHBondContact O-ND2 3.43Å; I279-N283 PolarHBondContact O-OD1 2.94Å
280Q68.4Low69.1Low92 Ų9261.6 Ų61.643%0.4331%0.306SS..Hα-helixtrans-59.9-44.3171.1-71.3179.6-0.200112.8L275 Y276 I278 N283 H284L275-Q280 HydrophobicContact CD2-CG 3.42Å; L275-Q280 VanDerWaalsContact CD2-CG 3.42Å; Y276-Q280 PolarHBondContact O-N 2.05Å; I278-Q280 VanDerWaalsContact C-N 3.29Å; I278-Q280 PolarHBondContact O-N 2.88Å; Q280-N283 PolarHBondContact O-N 3.35Å; Q280-H284 WeakPolarHBondContact O-CB 3.41Å; Q280-H284 PolarHBondContact O-N 2.94Å
281G70.5Confident68.7Low15 Ų1568 Ų6816%0.15533%0.327CS..Hα-helixtrans-63.8-43179.400000113G277 I278 I279 H284 C285G277-G281 PolarHBondContact O-N 3.01Å; I278-G281 WeakPolarHBondContact O-CA 3.06Å; I278-G281 PolarHBondContact O-N 2.83Å; I279-G281 PolarHBondContact O-N 3.07Å; G281-H284 PolarHBondContact O-N 3.47Å; G281-C285 WeakPolarHBondContact O-CB 3.48Å; G281-C285 PolarHBondContact O-N 2.74Å
282V72.1Confident68.4Low0 Ų069.1 Ų69.10%034%0.335CS..Hα-helixtrans-66.2-50.5174.7179.30000109.9C212 E213 V216 R268 I278 I279 H284 C285 E286C212-V282 HydrophobicContact CB-CG1 4.36Å; E213-V282 HydrophobicContact CG-CG1 4.04Å; V216-V282 HydrophobicContact CB-CG2 3.83Å; V216-V282 HydrophobicContact CG1-CG2 3.8Å; V216-V282 HydrophobicContact CG2-CG2 3.91Å; R268-V282 VanDerWaalsContact NH1-CG1 3.3Å; I278-V282 HydrophobicContact CG2-CG2 4.05Å; I278-V282 WeakPolarHBondContact O-CG2 3.41Å; I278-V282 PolarHBondContact O-N 2.97Å; I279-V282 PolarHBondContact O-N 3.48Å; V282-H284 VanDerWaalsContact C-N 3.25Å; V282-H284 PolarHBondContact O-N 2.65Å; V282-C285 WeakPolarHBondContact O-CA 3.44Å; V282-C285 WeakPolarHBondContact O-CB 3.24Å; V282-C285 PolarHBondContact O-N 3.12Å; V282-E286 HydrophobicContact CG1-CG 4.24Å; V282-E286 WeakPolarHBondContact CG1-OE1 3.5Å; V282-E286 VanDerWaalsContact O-CG 3.28Å; V282-E286 WeakPolarHBondContact O-CG 3.14Å; V282-E286 PolarHBondContact O-N 2.9Å
283N70.8Confident67.8Low44 Ų4470.3 Ų70.324%0.23535%0.347CS..Hα-helixtrans-56-39.2176.3-70.8-11.1000112.2R268 I279 Q280 R287R268-N283 PolarHBondContact NH2-OD1 3.16Å; I279-N283 VanDerWaalsContact O-CB 3.22Å; I279-N283 WeakPolarHBondContact O-CB 3.27Å; I279-N283 PolarHBondContact O-N 2.97Å; I279-N283 PolarHBondContact O-ND2 3.43Å; I279-N283 PolarHBondContact O-OD1 2.94Å; Q280-N283 PolarHBondContact O-N 3.35Å; N283-R287 WeakPolarHBondContact O-CB 3.43Å; N283-R287 VanDerWaalsContact O-CG 3.23Å; N283-R287 WeakPolarHBondContact O-CG 3.45Å; N283-R287 PolarHBondContact O-N 2.8Å
284H73.5Confident67.7Low99 Ų9964 Ų6446%0.45832%0.317SS..Hα-helixtrans-69.5-40.2177.1-174.662.4000112.5Q280 G281 V282 K288Q280-H284 WeakPolarHBondContact O-CB 3.41Å; Q280-H284 PolarHBondContact O-N 2.94Å; G281-H284 PolarHBondContact O-N 3.47Å; V282-H284 VanDerWaalsContact C-N 3.25Å; V282-H284 PolarHBondContact O-N 2.65Å; H284-K288 VanDerWaalsContact NE2-CE 3.32Å; H284-K288 WeakPolarHBondContact NE2-CE 3.05Å; H284-K288 PolarHBondContact NE2-NZ 2.05Å; H284-K288 WeakPolarHBondContact O-CG 3.41Å; H284-K288 PolarHBondContact O-N 3.2Å; H284-K288 VanDerWaalsContact O-N 3.09Å
285C75.6Confident67.7Low4 Ų460.5 Ų60.53%0.02730%0.304CS..Hα-helixtrans-59.7-50171.61790000110.4C212 G281 V282 R287 K288 V289 T383C212-C285 HydrophobicContact CB-CB 3.66Å; C212-C285 WeakPolarHBondContact CB-SG 3.48Å; C212-C285 WeakPolarHBondContact SG-CB 2.85Å; C212-C285 CovalentContact SG-SG 2.05Å; C212-C285 PolarHBondContact SG-SG 3.44Å; G281-C285 WeakPolarHBondContact O-CB 3.48Å; G281-C285 PolarHBondContact O-N 2.74Å; V282-C285 WeakPolarHBondContact O-CA 3.44Å; V282-C285 WeakPolarHBondContact O-CB 3.24Å; V282-C285 PolarHBondContact O-N 3.12Å; C285-R287 VanDerWaalsContact C-N 3.35Å; C285-R287 PolarHBondContact O-N 2.69Å; C285-K288 PolarHBondContact O-N 3.47Å; C285-V289 WeakPolarHBondContact O-CG2 3.36Å; C285-V289 PolarHBondContact O-N 3.42Å; C285-T383 HydrophobicContact CB-CG2 3.83Å
286E74.8Confident68.1Low32 Ų3262.2 Ų62.215%0.1531%0.305CS..Hα-helixtrans-57.9-45.8-179.4-69.5176.4168.400111.4A209 C212 R268 V282 K288 V289 S290A209-E286 HydrophobicContact CB-CB 3.68Å; A209-E286 HydrophobicContact CB-CG 3.56Å; C212-E286 HydrophobicContact CB-CG 3.76Å; C212-E286 PolarHBondContact SG-N 2.89Å; C212-E286 VanDerWaalsContact SG-N 3.42Å; R268-E286 IonicContact CZ-OE1 2.62Å; R268-E286 IonicContact CZ-OE2 3.32Å; R268-E286 IonicContact NH1-OE1 3.2Å; R268-E286 PolarHBondContact NH1-OE1 3.02Å; R268-E286 IonicContact NH1-OE2 3.56Å; R268-E286 VanDerWaalsContact NH2-CD 3.3Å; R268-E286 IonicContact NH2-OE1 3.85Å; R268-E286 PolarHBondContact NH2-OE1 3.33Å; R268-E286 VanDerWaalsContact NH2-OE1 3.13Å; R268-E286 IonicContact NH2-OE2 2.74Å; R268-E286 PolarHBondContact NH2-OE2 3.37Å; V282-E286 HydrophobicContact CG1-CG 4.24Å; V282-E286 WeakPolarHBondContact CG1-OE1 3.5Å; V282-E286 VanDerWaalsContact O-CG 3.28Å; V282-E286 WeakPolarHBondContact O-CG 3.14Å; V282-E286 PolarHBondContact O-N 2.9Å; E286-K288 VanDerWaalsContact C-N 3.32Å; E286-K288 PolarHBondContact O-N 2.92Å; E286-V289 PolarHBondContact O-N 3.42Å; E286-S290 WeakPolarHBondContact O-CB 3.42Å; E286-S290 PolarHBondContact O-N 3.38Å; E286-S290 PolarHBondContact O-OG 2.93Å; E286-S290 VanDerWaalsContact O-OG 3.07Å
287R71.6Confident68.5Low151 Ų15166.5 Ų66.557%0.5733%0.332SS*.Hα-helixtrans-61.3-35.3174.1-72.1173.1-165.2174.73.6113.4N283 C285 S290 R291N283-R287 WeakPolarHBondContact O-CB 3.43Å; N283-R287 VanDerWaalsContact O-CG 3.23Å; N283-R287 WeakPolarHBondContact O-CG 3.45Å; N283-R287 PolarHBondContact O-N 2.8Å; C285-R287 VanDerWaalsContact C-N 3.35Å; C285-R287 PolarHBondContact O-N 2.69Å; R287-S290 PolarHBondContact O-OG 2.71Å; R287-S290 VanDerWaalsContact O-OG 3.13Å; R287-R291 WeakPolarHBondContact O-CB 3.47Å; R287-R291 WeakPolarHBondContact O-CD 3.42Å; R287-R291 WeakPolarHBondContact O-CG 3.33Å; R287-R291 PolarHBondContact O-N 3.38Å
288K75.1Confident69.4Low96 Ų9665.7 Ų65.742%0.41732%0.32SS..Hα-helixtrans-76.9-38.6178.4-79-177.1172-178.60112.2H284 C285 E286 R291 C292 I379H284-K288 VanDerWaalsContact NE2-CE 3.32Å; H284-K288 WeakPolarHBondContact NE2-CE 3.05Å; H284-K288 PolarHBondContact NE2-NZ 2.05Å; H284-K288 WeakPolarHBondContact O-CG 3.41Å; H284-K288 PolarHBondContact O-N 3.2Å; H284-K288 VanDerWaalsContact O-N 3.09Å; C285-K288 PolarHBondContact O-N 3.47Å; E286-K288 VanDerWaalsContact C-N 3.32Å; E286-K288 PolarHBondContact O-N 2.92Å; K288-R291 PolarHBondContact O-N 3.07Å; K288-C292 PolarHBondContact O-N 2.85Å; K288-I379 HydrophobicContact CB-CD1 4.1Å; K288-I379 HydrophobicContact CB-CG1 4.36Å; K288-I379 HydrophobicContact CB-CG2 3.9Å
289V74.6Confident70.7Confident2 Ų269.1 Ų69.11%0.01234%0.341CS..Hα-helixtrans-68-43.5176.9173.30000110.3C285 E286 R291 C292 L334 I379C285-V289 WeakPolarHBondContact O-CG2 3.36Å; C285-V289 PolarHBondContact O-N 3.42Å; E286-V289 PolarHBondContact O-N 3.42Å; V289-R291 VanDerWaalsContact C-N 3.27Å; V289-R291 PolarHBondContact O-N 3.42Å; V289-C292 WeakPolarHBondContact O-CB 3.08Å; V289-C292 PolarHBondContact O-N 2.9Å; V289-C292 VanDerWaalsContact O-N 3.1Å; V289-L334 HydrophobicContact CG1-CD1 3.93Å; V289-L334 HydrophobicContact CG1-CD2 3.45Å; V289-L334 VanDerWaalsContact CG1-CD2 3.45Å; V289-L334 HydrophobicContact CG1-CG 4.37Å; V289-I379 HydrophobicContact CG2-CB 4.21Å; V289-I379 HydrophobicContact CG2-CG2 3.54Å
290S69.9Low71.9Confident77 Ų7771.3 Ų71.354%0.53835%0.354SS..Hα-helixtrans-65.4-29177.465.10000113.4E286 R287E286-S290 WeakPolarHBondContact O-CB 3.42Å; E286-S290 PolarHBondContact O-N 3.38Å; E286-S290 PolarHBondContact O-OG 2.93Å; E286-S290 VanDerWaalsContact O-OG 3.07Å; R287-S290 PolarHBondContact O-OG 2.71Å; R287-S290 VanDerWaalsContact O-OG 3.13Å
291R68.1Low73Confident198 Ų19871.2 Ų71.275%0.74736%0.357SS*.THydrogen-bonded Turntrans-85.2-4.9174.3-69.8175.5-174.8-175.10.8114.2R287 K288 V289 N293R287-R291 WeakPolarHBondContact O-CB 3.47Å; R287-R291 WeakPolarHBondContact O-CD 3.42Å; R287-R291 WeakPolarHBondContact O-CG 3.33Å; R287-R291 PolarHBondContact O-N 3.38Å; K288-R291 PolarHBondContact O-N 3.07Å; V289-R291 VanDerWaalsContact C-N 3.27Å; V289-R291 PolarHBondContact O-N 3.42Å; R291-N293 PolarHBondContact O-N 2.92Å; R291-N293 VanDerWaalsContact O-N 3.1Å
292C66.9Low74Confident27 Ų2770.7 Ų70.718%0.18235%0.35CS..SBendtrans-66.9113.7168.8-830000108K288 V289 A294 I379K288-C292 PolarHBondContact O-N 2.85Å; V289-C292 WeakPolarHBondContact O-CB 3.08Å; V289-C292 PolarHBondContact O-N 2.9Å; V289-C292 VanDerWaalsContact O-N 3.1Å; C292-A294 VanDerWaalsContact C-N 3.27Å; C292-A294 PolarHBondContact O-N 2.74Å; C292-I379 WeakPolarHBondContact SG-CD1 3.41Å
293N56Low75Confident139 Ų13970.7 Ų70.774%0.74335%0.35SS*.  trans-51.194173.9-76.2-4000110R291 L295R291-N293 PolarHBondContact O-N 2.92Å; R291-N293 VanDerWaalsContact O-N 3.1Å; N293-L295 PolarHBondContact O-N 3.22Å
294A59.3Low76.1Confident26 Ų2670.3 Ų70.322%0.21535%0.348CS..  trans-70.2130.8171.600000107.1C292 K296 R330C292-A294 VanDerWaalsContact C-N 3.27Å; C292-A294 PolarHBondContact O-N 2.74Å; A294-K296 PolarHBondContact O-N 3.01Å; A294-R330 VanDerWaalsContact CB-CA 3.43Å; A294-R330 HydrophobicContact CB-CB 3.95Å; A294-R330 WeakPolarHBondContact CB-O 3.49Å
295L63.2Low77.1Confident42 Ų4268.9 Ų68.922%0.2234%0.34CS..  trans-57125.7-176-67.8157.1000108.6N293 N297 L298 Y368 S372N293-L295 PolarHBondContact O-N 3.22Å; L295-N297 PolarHBondContact O-N 2.84Å; L295-L298 HydrophobicContact CB-CD1 4.11Å; L295-L298 HydrophobicContact CB-CD2 4.21Å; L295-L298 HydrophobicContact CB-CG 3.79Å; L295-L298 HydrophobicContact CD1-CD1 4.38Å; L295-L298 HydrophobicContact CD1-CD2 3.7Å; L295-L298 HydrophobicContact CD1-CG 4.17Å; L295-Y368 HydrophobicContact CD1-CD2 3.6Å; L295-Y368 HydrophobicContact CD1-CE2 4.41Å; L295-Y368 HydrophobicContact CD1-CG 4.45Å; L295-Y368 HydrophobicContact CD2-CD2 4.3Å; L295-Y368 HydrophobicContact CD2-CG 4.48Å; L295-S372 VanDerWaalsContact CD1-OG 3.26Å; L295-S372 WeakPolarHBondContact CD1-OG 3.37Å; L295-S372 WeakPolarHBondContact CG-OG 3.47Å
296K61.8Low77.9Confident177 Ų17768.7 Ų68.777%0.7734%0.339SS*.THydrogen-bonded Turntrans-69.8-15.9-177.7-66.3-176.8177.7-177.20113A294 P329A294-K296 PolarHBondContact O-N 3.01Å; K296-P329 WeakPolarHBondContact O-CB 3.28Å
297N71.5Confident78.8Confident139 Ų13967.2 Ų67.274%0.74333%0.332SS*.THydrogen-bonded Turntrans-130.852.9-168.6-59.4-0.1000111.8L295L295-N297 PolarHBondContact O-N 2.84Å
298L83.4Confident79.9Confident13 Ų1363.3 Ų63.37%0.06832%0.322CS..  trans-84128.9171.2-73.7167.8000110L295 D302 L303 Y332 L333 Y368 L369L295-L298 HydrophobicContact CB-CD1 4.11Å; L295-L298 HydrophobicContact CB-CD2 4.21Å; L295-L298 HydrophobicContact CB-CG 3.79Å; L295-L298 HydrophobicContact CD1-CD1 4.38Å; L295-L298 HydrophobicContact CD1-CD2 3.7Å; L295-L298 HydrophobicContact CD1-CG 4.17Å; L298-D302 HydrophobicContact CD2-CB 3.78Å; L298-L303 HydrophobicContact CB-CD2 4.35Å; L298-L303 HydrophobicContact CD1-CD2 4.14Å; L298-Y332 HydrophobicContact CB-CD2 4.24Å; L298-L333 HydrophobicContact CD1-CD1 3.76Å; L298-L333 HydrophobicContact CD1-CD2 4.02Å; L298-L333 HydrophobicContact CD1-CG 3.51Å; L298-Y368 HydrophobicContact CD2-CE2 4.13Å; L298-L369 HydrophobicContact CD2-CD1 3.73Å
299T90.2Very high80.8Confident74 Ų7458.9 Ų58.945%0.45430%0.303SS..  trans-83.9165.2173.765.20000111.2D301 D302 L303T299-D301 PolarHBondContact O-N 3.13Å; T299-D302 WeakPolarHBondContact CB-OD2 3.32Å; T299-D302 PolarHBondContact N-OD2 3.18Å; T299-D302 WeakPolarHBondContact O-CB 3.15Å; T299-D302 PolarHBondContact O-N 3.36Å; T299-D302 PolarHBondContact OG1-N 2.98Å; T299-D302 VanDerWaalsContact OG1-N 3.14Å; T299-D302 PolarHBondContact OG1-OD2 3.15Å; T299-L303 WeakPolarHBondContact O-CG 3.45Å; T299-L303 PolarHBondContact O-N 3.28Å; T299-L303 VanDerWaalsContact O-N 3.15Å
300V91.6Very high81.8Confident50 Ų5059.1 Ų59.130%0.30331%0.305SS..Hα-helixtrans-57.6-40171.71770000110.6D302 L303 M304 V320 V324V300-D302 PolarHBondContact O-N 3.38Å; V300-L303 PolarHBondContact O-N 3.09Å; V300-M304 HydrophobicContact CG1-CG 4.2Å; V300-M304 WeakPolarHBondContact O-CB 3.49Å; V300-M304 VanDerWaalsContact O-CG 3.29Å; V300-M304 WeakPolarHBondContact O-CG 3.5Å; V300-M304 PolarHBondContact O-N 3.34Å; V300-V320 HydrophobicContact CG1-CG1 4.27Å; V300-V324 HydrophobicContact CG2-CG2 4.19Å
301D92.6Very high82.8Confident90 Ų9056.4 Ų56.448%0.48129%0.285SS..Hα-helixtrans-60.8-42.4176.4178.964.6000112.4T299 L303 M304 K305T299-D301 PolarHBondContact O-N 3.13Å; D301-L303 VanDerWaalsContact C-N 3.33Å; D301-L303 PolarHBondContact O-N 3Å; D301-M304 PolarHBondContact O-N 3.05Å; D301-K305 WeakPolarHBondContact O-CG 3.34Å; D301-K305 PolarHBondContact O-N 2.9Å; D301-K305 WeakPolarHBondContact OD2-CE 3.47Å; D301-K305 IonicContact OD2-NZ 3.79Å; D301-K305 PolarHBondContact OD2-NZ 3.02Å
302D92Very high83.9Confident4 Ų449.6 Ų49.62%0.02128%0.276CS..Hα-helixtrans-59.6-43.5174.4-66.1-59.4000112L298 T299 V300 K305 V306 Y368 L369L298-D302 HydrophobicContact CD2-CB 3.78Å; T299-D302 WeakPolarHBondContact CB-OD2 3.32Å; T299-D302 PolarHBondContact N-OD2 3.18Å; T299-D302 WeakPolarHBondContact O-CB 3.15Å; T299-D302 PolarHBondContact O-N 3.36Å; T299-D302 PolarHBondContact OG1-N 2.98Å; T299-D302 VanDerWaalsContact OG1-N 3.14Å; T299-D302 PolarHBondContact OG1-OD2 3.15Å; V300-D302 PolarHBondContact O-N 3.38Å; D302-K305 WeakPolarHBondContact O-CB 3.42Å; D302-K305 PolarHBondContact O-N 2.82Å; D302-V306 PolarHBondContact O-N 2.04Å; D302-Y368 PolarHBondContact OD1-OH 3.41Å; D302-Y368 PolarHBondContact OD2-OH 2.8Å; D302-L369 HydrophobicContact CB-CD1 4.48Å; D302-L369 HydrophobicContact CB-CD2 4.48Å
303L92.1Very high85Confident0 Ų052.3 Ų52.30%029%0.292CS..Hα-helixtrans-69.4-35.9178.9-62.3176.8000111.9L298 T299 V300 D301 V306 T307 V320 V324 Y332 L333 I336L298-L303 HydrophobicContact CB-CD2 4.35Å; L298-L303 HydrophobicContact CD1-CD2 4.14Å; T299-L303 WeakPolarHBondContact O-CG 3.45Å; T299-L303 PolarHBondContact O-N 3.28Å; T299-L303 VanDerWaalsContact O-N 3.15Å; V300-L303 PolarHBondContact O-N 3.09Å; D301-L303 VanDerWaalsContact C-N 3.33Å; D301-L303 PolarHBondContact O-N 3Å; L303-V306 PolarHBondContact O-N 3.2Å; L303-T307 WeakPolarHBondContact O-CB 3.46Å; L303-T307 PolarHBondContact O-N 2.75Å; L303-T307 PolarHBondContact O-OG1 2.77Å; L303-V320 HydrophobicContact CB-CG1 3.62Å; L303-V320 HydrophobicContact CD1-CG1 3.99Å; L303-V320 HydrophobicContact CG-CG1 4.48Å; L303-V324 HydrophobicContact CD1-CG2 3.54Å; L303-Y332 HydrophobicContact CD1-CD2 4.07Å; L303-Y332 HydrophobicContact CD1-CG 4.24Å; L303-L333 HydrophobicContact CD2-CD2 3.97Å; L303-I336 HydrophobicContact CD2-CG1 4.29Å
304M94.4Very high86.6Confident36 Ų3650.7 Ų50.718%0.17728%0.279CS..Hα-helixtrans-66.2-38.2174-72-57.5-70.900111.6V300 D301 T307 N308 E317 V320V300-M304 HydrophobicContact CG1-CG 4.2Å; V300-M304 WeakPolarHBondContact O-CB 3.49Å; V300-M304 VanDerWaalsContact O-CG 3.29Å; V300-M304 WeakPolarHBondContact O-CG 3.5Å; V300-M304 PolarHBondContact O-N 3.34Å; D301-M304 PolarHBondContact O-N 3.05Å; M304-T307 PolarHBondContact O-N 2.75Å; M304-N308 VanDerWaalsContact O-CB 3.28Å; M304-N308 WeakPolarHBondContact O-CB 3.01Å; M304-N308 PolarHBondContact O-N 3.01Å; M304-N308 PolarHBondContact O-ND2 3.37Å; M304-E317 HydrophobicContact CE-CB 3.97Å; M304-E317 HydrophobicContact CE-CG 4.13Å; M304-E317 HydrophobicContact SD-CB 4.18Å; M304-E317 HydrophobicContact SD-CG 4.07Å; M304-V320 HydrophobicContact SD-CB 4.1Å; M304-V320 HydrophobicContact SD-CG1 4.26Å; M304-V320 HydrophobicContact SD-CG2 3.67Å
305K93.9Very high88.1Confident70 Ų7049.9 Ų49.930%0.30427%0.271SS..Hα-helixtrans-59.7-45.2172-75.9166.8175.6158.50111.8D301 D302 S309 L360 L369D301-K305 WeakPolarHBondContact O-CG 3.34Å; D301-K305 PolarHBondContact O-N 2.9Å; D301-K305 WeakPolarHBondContact OD2-CE 3.47Å; D301-K305 IonicContact OD2-NZ 3.79Å; D301-K305 PolarHBondContact OD2-NZ 3.02Å; D302-K305 WeakPolarHBondContact O-CB 3.42Å; D302-K305 PolarHBondContact O-N 2.82Å; K305-S309 WeakPolarHBondContact O-CB 3.31Å; K305-S309 PolarHBondContact O-N 2.87Å; K305-S309 VanDerWaalsContact O-N 3.14Å; K305-S309 PolarHBondContact O-OG 2.01Å; K305-L360 HydrophobicContact CB-CD2 4.29Å; K305-L369 HydrophobicContact CB-CD2 4.31Å
306V93Very high89.2Confident0 Ų053.3 Ų53.30%029%0.286CS..Hα-helixtrans-61.8-50.3175.5176.80000110.7D302 L303 N308 S309 L310 L333 L369D302-V306 PolarHBondContact O-N 2.04Å; L303-V306 PolarHBondContact O-N 3.2Å; V306-N308 VanDerWaalsContact C-N 3.34Å; V306-N308 PolarHBondContact O-N 3.41Å; V306-S309 PolarHBondContact O-N 3.25Å; V306-S309 VanDerWaalsContact O-N 3.11Å; V306-S309 PolarHBondContact O-OG 3.48Å; V306-L310 HydrophobicContact CG1-CD1 4.36Å; V306-L310 PolarHBondContact O-N 3.14Å; V306-L333 HydrophobicContact CG1-CD2 4.46Å; V306-L333 HydrophobicContact CG2-CD2 3.92Å; V306-L369 HydrophobicContact CG2-CD1 3.58Å; V306-L369 HydrophobicContact CG2-CD2 3.83Å; V306-L369 HydrophobicContact CG2-CG 3.83Å
307T93.6Very high90.5Very high0 Ų049.2 Ų49.20%027%0.269CS..Hα-helixtrans-57.4-46.4-179.1-61.80000112.1L303 M304 S309 L310 K314 V315 I336L303-T307 WeakPolarHBondContact O-CB 3.46Å; L303-T307 PolarHBondContact O-N 2.75Å; L303-T307 PolarHBondContact O-OG1 2.77Å; M304-T307 PolarHBondContact O-N 2.75Å; T307-S309 VanDerWaalsContact C-N 3.25Å; T307-S309 PolarHBondContact O-N 3.41Å; T307-L310 PolarHBondContact O-N 3.34Å; T307-K314 HydrophobicContact CG2-CB 4.28Å; T307-V315 HydrophobicContact CG2-CB 3.61Å; T307-V315 HydrophobicContact CG2-CG2 4.26Å; T307-V315 VanDerWaalsContact CG2-O 3.23Å; T307-V315 WeakPolarHBondContact CG2-O 3.21Å; T307-I336 WeakPolarHBondContact OG1-CG2 3.31Å
308N93.9Very high91.1Very high70 Ų7049.4 Ų49.437%0.37427%0.266SS..Hα-helixtrans-69-22.7179.7-78.9-47.9000113.9M304 V306 K314M304-N308 VanDerWaalsContact O-CB 3.28Å; M304-N308 WeakPolarHBondContact O-CB 3.01Å; M304-N308 PolarHBondContact O-N 3.01Å; M304-N308 PolarHBondContact O-ND2 3.37Å; V306-N308 VanDerWaalsContact C-N 3.34Å; V306-N308 PolarHBondContact O-N 3.41Å; N308-K314 WeakPolarHBondContact OD1-CD 3.27Å; N308-K314 PolarHBondContact OD1-NZ 2.84Å
309S95.4Very high91.1Very high2 Ų250.5 Ų50.51%0.01427%0.272CS..Hα-helixtrans-80.8-18.617874.90000113.9K305 V306 T307 S356K305-S309 WeakPolarHBondContact O-CB 3.31Å; K305-S309 PolarHBondContact O-N 2.87Å; K305-S309 VanDerWaalsContact O-N 3.14Å; K305-S309 PolarHBondContact O-OG 2.01Å; V306-S309 PolarHBondContact O-N 3.25Å; V306-S309 VanDerWaalsContact O-N 3.11Å; V306-S309 PolarHBondContact O-OG 3.48Å; T307-S309 VanDerWaalsContact C-N 3.25Å; T307-S309 PolarHBondContact O-N 3.41Å; S309-S356 VanDerWaalsContact O-CA 3.32Å; S309-S356 WeakPolarHBondContact O-CA 3.08Å; S309-S356 WeakPolarHBondContact OG-CB 3.12Å; S309-S356 PolarHBondContact OG-OG 2.72Å
310L94.6Very high91Very high8 Ų847 Ų474%0.04225%0.25CC..SBendtrans-78.8145.8179.9-70.3160.8000111V306 T307 L337 W340V306-L310 HydrophobicContact CG1-CD1 4.36Å; V306-L310 PolarHBondContact O-N 3.14Å; T307-L310 PolarHBondContact O-N 3.34Å; L310-L337 HydrophobicContact CD1-CD2 3.89Å; L310-L337 HydrophobicContact CD2-CD2 4.16Å; L310-W340 HydrophobicContact CB-CD2 4.31Å; L310-W340 HydrophobicContact CB-CG 4.21Å; L310-W340 HydrophobicContact CD1-CB 4.07Å; L310-W340 HydrophobicContact CD1-CD2 4.15Å; L310-W340 HydrophobicContact CD1-CG 3.77Å; L310-W340 HydrophobicContact CD2-CD2 4.32Å; L310-W340 HydrophobicContact CG-CG 4.46Å
311P92.3Very high90.8Very high19 Ų1949.8 Ų49.812%0.12326%0.258CS..SBendtrans-78.1161.1179.430.6-31.8000112.8W340 L347P311-W340 HydrophobicContact CG-CZ2 3.94Å; P311-W340 WeakPolarHBondContact O-CZ2 3.02Å; P311-W340 PolarHBondContact O-NE1 3.45Å; P311-L347 HydrophobicContact CG-CD1 4.46Å
312G91.1Very high90.4Very high55 Ų5546.8 Ų46.857%0.56725%0.246SC*.SBendtrans82.7-148.7174.600000113.2K314 N344G312-K314 PolarHBondContact O-N 2.88Å; G312-N344 WeakPolarHBondContact CA-OD1 3.44Å
313V88.4Confident90.1Very high85 Ų8546.8 Ų46.852%0.51525%0.246SC..SBendtrans-68.6126.3179-1760000109.1A343 N344V313-A343 HydrophobicContact CB-CB 4.3Å; V313-A343 HydrophobicContact CG1-CB 4.26Å; V313-N344 PolarHBondContact N-OD1 3.4Å; V313-N344 PolarHBondContact O-ND2 2.92Å
314K90.9Very high89.8Confident105 Ų10548.9 Ų48.946%0.45726%0.259SS..PPolyproline II helixtrans-81.3149.4-179.1-61.5178.3177.2-172.40110.6T307 N308 G312T307-K314 HydrophobicContact CG2-CB 4.28Å; N308-K314 WeakPolarHBondContact OD1-CD 3.27Å; N308-K314 PolarHBondContact OD1-NZ 2.84Å; G312-K314 PolarHBondContact O-N 2.88Å
315V89.6Confident89.4Confident9 Ų951.7 Ų51.76%0.05528%0.282CS..PPolyproline II helixtrans-67.8133.6167-1770000108T307 D319 V320 I336 L339 W340T307-V315 HydrophobicContact CG2-CB 3.61Å; T307-V315 HydrophobicContact CG2-CG2 4.26Å; T307-V315 VanDerWaalsContact CG2-O 3.23Å; T307-V315 WeakPolarHBondContact CG2-O 3.21Å; V315-D319 HydrophobicContact CG1-CB 3.78Å; V315-V320 HydrophobicContact CG1-CG2 4.09Å; V315-I336 HydrophobicContact CG1-CD1 4.33Å; V315-L339 HydrophobicContact CG1-CB 4.09Å; V315-L339 HydrophobicContact CG1-CD1 4Å; V315-L339 HydrophobicContact CG2-CB 3.92Å; V315-W340 HydrophobicContact CG2-CB 3.76Å
316Q87.8Confident88.7Confident113 Ų11352.3 Ų52.353%0.52829%0.291SS..PPolyproline II helixtrans-75.8150.6-176.4-61-66.9-2.300110.7Q318 D319 V320Q316-Q318 HydrophobicContact CB-CG 3.89Å; Q316-Q318 PolarHBondContact O-N 3.07Å; Q316-D319 WeakPolarHBondContact CB-OD2 3.44Å; Q316-D319 WeakPolarHBondContact O-CB 3.35Å; Q316-D319 PolarHBondContact O-N 2.9Å; Q316-V320 WeakPolarHBondContact O-CG2 3.4Å; Q316-V320 PolarHBondContact O-N 3.28Å
317E88.8Confident88.1Confident92 Ų9252.8 Ų52.843%0.4330%0.295SS..Hα-helixtrans-58-35.3-179.5-170.6-175153.300112.3M304 D319 V320 K321M304-E317 HydrophobicContact CE-CB 3.97Å; M304-E317 HydrophobicContact CE-CG 4.13Å; M304-E317 HydrophobicContact SD-CB 4.18Å; M304-E317 HydrophobicContact SD-CG 4.07Å; E317-D319 VanDerWaalsContact C-N 3.28Å; E317-D319 PolarHBondContact O-N 3.34Å; E317-V320 PolarHBondContact O-N 2.92Å; E317-K321 WeakPolarHBondContact O-CG 3.48Å; E317-K321 PolarHBondContact O-N 3.07Å; E317-K321 WeakPolarHBondContact OE1-CE 3.26Å; E317-K321 IonicContact OE1-NZ 2.69Å; E317-K321 PolarHBondContact OE1-NZ 2.8Å
318Q83.8Confident87.6Confident142 Ų14256.9 Ų56.966%0.66432%0.316SS*.Hα-helixtrans-59.2-39.3174.368.1-173.67.200112.2Q316 K321 A322Q316-Q318 HydrophobicContact CB-CG 3.89Å; Q316-Q318 PolarHBondContact O-N 3.07Å; Q318-K321 PolarHBondContact O-N 2.7Å; Q318-A322 WeakPolarHBondContact O-CB 3.5Å; Q318-A322 PolarHBondContact O-N 3.39Å
319D83.8Confident86.9Confident36 Ų3655.9 Ų55.919%0.19331%0.313CS..Hα-helixtrans-74.3-35179.3-55.2-40.1000110.3V315 Q316 E317 A322 V323 L339V315-D319 HydrophobicContact CG1-CB 3.78Å; Q316-D319 WeakPolarHBondContact CB-OD2 3.44Å; Q316-D319 WeakPolarHBondContact O-CB 3.35Å; Q316-D319 PolarHBondContact O-N 2.9Å; E317-D319 VanDerWaalsContact C-N 3.28Å; E317-D319 PolarHBondContact O-N 3.34Å; D319-A322 WeakPolarHBondContact O-CB 3.11Å; D319-A322 PolarHBondContact O-N 3.28Å; D319-V323 VanDerWaalsContact O-CG2 3.3Å; D319-V323 WeakPolarHBondContact O-CG2 3.44Å; D319-V323 PolarHBondContact O-N 3.36Å; D319-L339 HydrophobicContact CB-CD1 4.16Å
320V88.6Confident86Confident0 Ų063 Ų630%034%0.34CS..Hα-helixtrans-62.5-45.1172.6-177.80000111V300 L303 M304 V315 Q316 E317 A322 V323 V324 I336V300-V320 HydrophobicContact CG1-CG1 4.27Å; L303-V320 HydrophobicContact CB-CG1 3.62Å; L303-V320 HydrophobicContact CD1-CG1 3.99Å; L303-V320 HydrophobicContact CG-CG1 4.48Å; M304-V320 HydrophobicContact SD-CB 4.1Å; M304-V320 HydrophobicContact SD-CG1 4.26Å; M304-V320 HydrophobicContact SD-CG2 3.67Å; V315-V320 HydrophobicContact CG1-CG2 4.09Å; Q316-V320 WeakPolarHBondContact O-CG2 3.4Å; Q316-V320 PolarHBondContact O-N 3.28Å; E317-V320 PolarHBondContact O-N 2.92Å; V320-A322 VanDerWaalsContact C-N 3.35Å; V320-V323 PolarHBondContact O-N 3.31Å; V320-V324 PolarHBondContact O-N 2.96Å; V320-V324 VanDerWaalsContact O-N 3.13Å; V320-I336 HydrophobicContact CB-CD1 4.2Å; V320-I336 HydrophobicContact CG1-CD1 4.17Å; V320-I336 HydrophobicContact CG2-CD1 3.73Å
321K87.1Confident85.3Confident110 Ų11063.5 Ų63.548%0.47834%0.342SS..Hα-helixtrans-63-42175.2-74.7173.5-179.5164.20111.3E317 Q318 V323 V324 S325E317-K321 WeakPolarHBondContact O-CG 3.48Å; E317-K321 PolarHBondContact O-N 3.07Å; E317-K321 WeakPolarHBondContact OE1-CE 3.26Å; E317-K321 IonicContact OE1-NZ 2.69Å; E317-K321 PolarHBondContact OE1-NZ 2.8Å; Q318-K321 PolarHBondContact O-N 2.7Å; K321-V323 PolarHBondContact O-N 3.22Å; K321-V324 PolarHBondContact O-N 2.91Å; K321-S325 PolarHBondContact O-N 3.49Å; K321-S325 PolarHBondContact O-OG 3.24Å
322A84.4Confident85Confident27 Ų2763.7 Ų63.722%0.22334%0.341CS..Hα-helixtrans-56.9-49.617500000110.7T203 Q318 D319 V320 V324 S325 T326T203-A322 HydrophobicContact CG2-CB 4.44Å; Q318-A322 WeakPolarHBondContact O-CB 3.5Å; Q318-A322 PolarHBondContact O-N 3.39Å; D319-A322 WeakPolarHBondContact O-CB 3.11Å; D319-A322 PolarHBondContact O-N 3.28Å; V320-A322 VanDerWaalsContact C-N 3.35Å; A322-V324 VanDerWaalsContact C-N 3.32Å; A322-V324 PolarHBondContact O-N 3.17Å; A322-S325 WeakPolarHBondContact CA-OG 3.46Å; A322-S325 PolarHBondContact O-N 2.81Å; A322-S325 PolarHBondContact O-OG 2.78Å; A322-T326 PolarHBondContact O-N 3.17Å; A322-T326 PolarHBondContact O-OG1 2.92Å
323V84.3Confident84.7Confident3 Ų361.2 Ų61.22%0.01832%0.315CS..Hα-helixtrans-56.3-42177.2168.90000112.6D319 V320 K321 S325 C327 Y332 Q335 I336 L339D319-V323 VanDerWaalsContact O-CG2 3.3Å; D319-V323 WeakPolarHBondContact O-CG2 3.44Å; D319-V323 PolarHBondContact O-N 3.36Å; V320-V323 PolarHBondContact O-N 3.31Å; K321-V323 PolarHBondContact O-N 3.22Å; V323-S325 VanDerWaalsContact C-N 3.33Å; V323-C327 HydrophobicContact CG1-CB 4.34Å; V323-C327 WeakPolarHBondContact O-CB 3.38Å; V323-C327 PolarHBondContact O-N 3.13Å; V323-C327 PolarHBondContact O-SG 3.16Å; V323-Y332 HydrophobicContact CG1-CD1 4Å; V323-Y332 HydrophobicContact CG1-CG 4.48Å; V323-Q335 HydrophobicContact CB-CG 4.5Å; V323-Q335 HydrophobicContact CG1-CB 3.97Å; V323-Q335 HydrophobicContact CG1-CG 4.13Å; V323-Q335 HydrophobicContact CG2-CB 4.22Å; V323-Q335 HydrophobicContact CG2-CG 3.57Å; V323-I336 HydrophobicContact CG2-CD1 4.35Å; V323-L339 HydrophobicContact CG2-CD1 3.64Å
324V87.4Confident84.4Confident44 Ų4459 Ų5927%0.26730%0.3SS..Hα-helixtrans-68.9-33.6178174.80000111.7V300 L303 V320 K321 A322 Y332V300-V324 HydrophobicContact CG2-CG2 4.19Å; L303-V324 HydrophobicContact CD1-CG2 3.54Å; V320-V324 PolarHBondContact O-N 2.96Å; V320-V324 VanDerWaalsContact O-N 3.13Å; K321-V324 PolarHBondContact O-N 2.91Å; A322-V324 VanDerWaalsContact C-N 3.32Å; A322-V324 PolarHBondContact O-N 3.17Å; V324-Y332 HydrophobicContact CG1-CE2 4.35Å; V324-Y332 HydrophobicContact CG2-CD2 4.36Å; V324-Y332 HydrophobicContact CG2-CE2 4.13Å; V324-Y332 PolarHBondContact O-OH 3.29Å
325S84.4Confident84Confident96 Ų9654.4 Ų54.467%0.67128%0.28SS*.Hα-helixtrans-78.9-26.7179.468.90000114K321 A322 V323K321-S325 PolarHBondContact O-N 3.49Å; K321-S325 PolarHBondContact O-OG 3.24Å; A322-S325 WeakPolarHBondContact CA-OG 3.46Å; A322-S325 PolarHBondContact O-N 2.81Å; A322-S325 PolarHBondContact O-OG 2.78Å; V323-S325 VanDerWaalsContact C-N 3.33Å
326T80.1Confident83.9Confident82 Ų8254 Ų5450%0.50328%0.277SS..Hα-helixtrans-108.8-24.1-172.758.50000114.1C205 A322C205-T326 PolarHBondContact SG-O 3.3Å; C205-T326 PolarHBondContact SG-OG1 2.97Å; A322-T326 PolarHBondContact O-N 3.17Å; A322-T326 PolarHBondContact O-OG1 2.92Å
327C80.6Confident83.8Confident11 Ų1148.6 Ų48.67%0.07425%0.252CS..SBendtrans-102.3161.4-172.9-55.10000112.6C205 V323 Q331 Y332C205-C327 HydrophobicContact CB-CB 3.72Å; C205-C327 WeakPolarHBondContact CB-SG 3.17Å; C205-C327 WeakPolarHBondContact SG-CA 3.15Å; C205-C327 WeakPolarHBondContact SG-CB 3.25Å; C205-C327 PolarHBondContact SG-N 2.8Å; C205-C327 CovalentContact SG-SG 2.02Å; C205-C327 PolarHBondContact SG-SG 2.65Å; V323-C327 HydrophobicContact CG1-CB 4.34Å; V323-C327 WeakPolarHBondContact O-CB 3.38Å; V323-C327 PolarHBondContact O-N 3.13Å; V323-C327 PolarHBondContact O-SG 3.16Å; C327-Q331 HydrophobicContact CB-CB 4.14Å; C327-Y332 HydrophobicContact CB-CD1 3.97Å; C327-Y332 HydrophobicContact CB-CE1 4.01Å; C327-Y332 WeakPolarHBondContact O-CE1 3.44Å
328L82.2Confident83.5Confident86 Ų8645.3 Ų45.345%0.4524%0.236SC..  trans-74.5147.5166.9-64.4172.2000109.6R330 Q331 Y332L328-R330 HydrophobicContact CB-CG 4.07Å; L328-R330 PolarHBondContact O-N 3.35Å; L328-Q331 HydrophobicContact CB-CG 4.45Å; L328-Q331 WeakPolarHBondContact O-CB 3.13Å; L328-Q331 PolarHBondContact O-N 2.78Å; L328-Y332 WeakPolarHBondContact O-CD1 3.26Å; L328-Y332 WeakPolarHBondContact O-CE1 3.44Å
329P80.7Confident83.4Confident48 Ų4838.8 Ų38.831%0.31221%0.206SC..G310 helixtrans-52.2-32.2-179.8-29.834.5000114.8K296 Q331 Y332K296-P329 WeakPolarHBondContact O-CB 3.28Å; P329-Q331 PolarHBondContact O-N 3.21Å; P329-Y332 HydrophobicContact CB-CE2 4.1Å; P329-Y332 HydrophobicContact CG-CE2 4.4Å; P329-Y332 PolarHBondContact O-N 3.48Å
330R76.1Confident83.6Confident153 Ų15337.1 Ų37.158%0.57720%0.197SC*.G310 helixtrans-66.8-13.7176.569.2-176.5177.7-171.9-1.9114.7A294 L328A294-R330 VanDerWaalsContact CB-CA 3.43Å; A294-R330 HydrophobicContact CB-CB 3.95Å; A294-R330 WeakPolarHBondContact CB-O 3.49Å; L328-R330 HydrophobicContact CB-CG 4.07Å; L328-R330 PolarHBondContact O-N 3.35Å
331Q79.4Confident83.2Confident18 Ų1837.1 Ų37.18%0.08420%0.197CC..G310 helixtrans-103.1-16.1-176.5-65.8164.3-22.400112.8N207 C327 L328 P329 L333 L334 Q335N207-Q331 PolarHBondContact OD1-NE2 2.85Å; C327-Q331 HydrophobicContact CB-CB 4.14Å; L328-Q331 HydrophobicContact CB-CG 4.45Å; L328-Q331 WeakPolarHBondContact O-CB 3.13Å; L328-Q331 PolarHBondContact O-N 2.78Å; P329-Q331 PolarHBondContact O-N 3.21Å; Q331-L333 PolarHBondContact O-N 3.22Å; Q331-L334 PolarHBondContact O-N 3.48Å; Q331-Q335 PolarHBondContact O-N 3.16Å
332Y85.5Confident82.7Confident22 Ų2233.9 Ų33.99%0.08619%0.189CC..Hα-helixtrans-52.4-53.1-169.3-64.8-10.7000113.2L298 L303 V323 V324 C327 L328 P329 L334 Q335 I336L298-Y332 HydrophobicContact CB-CD2 4.24Å; L303-Y332 HydrophobicContact CD1-CD2 4.07Å; L303-Y332 HydrophobicContact CD1-CG 4.24Å; V323-Y332 HydrophobicContact CG1-CD1 4Å; V323-Y332 HydrophobicContact CG1-CG 4.48Å; V324-Y332 HydrophobicContact CG1-CE2 4.35Å; V324-Y332 HydrophobicContact CG2-CD2 4.36Å; V324-Y332 HydrophobicContact CG2-CE2 4.13Å; V324-Y332 PolarHBondContact O-OH 3.29Å; C327-Y332 HydrophobicContact CB-CD1 3.97Å; C327-Y332 HydrophobicContact CB-CE1 4.01Å; C327-Y332 WeakPolarHBondContact O-CE1 3.44Å; L328-Y332 WeakPolarHBondContact O-CD1 3.26Å; L328-Y332 WeakPolarHBondContact O-CE1 3.44Å; P329-Y332 HydrophobicContact CB-CE2 4.1Å; P329-Y332 HydrophobicContact CG-CE2 4.4Å; P329-Y332 PolarHBondContact O-N 3.48Å; Y332-L334 VanDerWaalsContact C-N 3.33Å; Y332-L334 PolarHBondContact O-N 2.84Å; Y332-Q335 PolarHBondContact O-N 3.06Å; Y332-I336 WeakPolarHBondContact O-CB 3.42Å; Y332-I336 VanDerWaalsContact O-CG1 3.24Å; Y332-I336 WeakPolarHBondContact O-CG1 3.31Å; Y332-I336 PolarHBondContact O-N 3.49Å
333L84.4Confident82.4Confident4 Ų434.2 Ų34.22%0.02119%0.191CC..Hα-helixtrans-63-38.6-179-72.1174.6000112.9L298 L303 V306 Q331 L337 L369 I376L298-L333 HydrophobicContact CD1-CD1 3.76Å; L298-L333 HydrophobicContact CD1-CD2 4.02Å; L298-L333 HydrophobicContact CD1-CG 3.51Å; L303-L333 HydrophobicContact CD2-CD2 3.97Å; V306-L333 HydrophobicContact CG1-CD2 4.46Å; V306-L333 HydrophobicContact CG2-CD2 3.92Å; Q331-L333 PolarHBondContact O-N 3.22Å; L333-L337 WeakPolarHBondContact O-CB 3.47Å; L333-L337 VanDerWaalsContact O-CG 3.22Å; L333-L337 WeakPolarHBondContact O-CG 3.37Å; L333-L337 PolarHBondContact O-N 3.18Å; L333-L369 HydrophobicContact CD2-CD1 4.24Å; L333-I376 HydrophobicContact CB-CD1 4.43Å
334L81.8Confident82.1Confident39 Ų3934.3 Ų34.320%0.20419%0.191CC..Hα-helixtrans-70.4-41.1-178.9-60.3178.5000110.6L211 V289 Q331 Y332 L337 H338 I376L211-L334 HydrophobicContact CD1-CB 4.17Å; L211-L334 HydrophobicContact CD1-CD2 3.8Å; V289-L334 HydrophobicContact CG1-CD1 3.93Å; V289-L334 HydrophobicContact CG1-CD2 3.45Å; V289-L334 VanDerWaalsContact CG1-CD2 3.45Å; V289-L334 HydrophobicContact CG1-CG 4.37Å; Q331-L334 PolarHBondContact O-N 3.48Å; Y332-L334 VanDerWaalsContact C-N 3.33Å; Y332-L334 PolarHBondContact O-N 2.84Å; L334-L337 PolarHBondContact O-N 3.46Å; L334-H338 WeakPolarHBondContact O-CB 3.5Å; L334-H338 PolarHBondContact O-N 3.29Å; L334-I376 HydrophobicContact CD2-CD1 4.06Å
335Q83.6Confident81.3Confident8 Ų837 Ų374%0.03720%0.197CC..Hα-helixtrans-66.3-41.1177-167.364.923.800111.7H202 L204 V323 Q331 Y332 L337 H338 L339H202-Q335 PolarHBondContact O-NE2 2.95Å; L204-Q335 PolarHBondContact O-NE2 2.98Å; V323-Q335 HydrophobicContact CB-CG 4.5Å; V323-Q335 HydrophobicContact CG1-CB 3.97Å; V323-Q335 HydrophobicContact CG1-CG 4.13Å; V323-Q335 HydrophobicContact CG2-CB 4.22Å; V323-Q335 HydrophobicContact CG2-CG 3.57Å; Q331-Q335 PolarHBondContact O-N 3.16Å; Y332-Q335 PolarHBondContact O-N 3.06Å; Q335-L337 PolarHBondContact O-N 3.08Å; Q335-H338 WeakPolarHBondContact O-CB 3.28Å; Q335-H338 PolarHBondContact O-N 3.42Å; Q335-L339 WeakPolarHBondContact O-CG 3.21Å; Q335-L339 PolarHBondContact O-N 3.36Å
336I87.5Confident80.7Confident0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-61-45.4174.6-69.8-64.5000111.5L303 T307 V315 V320 V323 Y332 H338 L339 W340L303-I336 HydrophobicContact CD2-CG1 4.29Å; T307-I336 WeakPolarHBondContact OG1-CG2 3.31Å; V315-I336 HydrophobicContact CG1-CD1 4.33Å; V320-I336 HydrophobicContact CB-CD1 4.2Å; V320-I336 HydrophobicContact CG1-CD1 4.17Å; V320-I336 HydrophobicContact CG2-CD1 3.73Å; V323-I336 HydrophobicContact CG2-CD1 4.35Å; Y332-I336 WeakPolarHBondContact O-CB 3.42Å; Y332-I336 VanDerWaalsContact O-CG1 3.24Å; Y332-I336 WeakPolarHBondContact O-CG1 3.31Å; Y332-I336 PolarHBondContact O-N 3.49Å; I336-H338 VanDerWaalsContact C-N 3.26Å; I336-H338 PolarHBondContact O-N 2.84Å; I336-L339 PolarHBondContact O-N 3.37Å; I336-W340 WeakPolarHBondContact O-CB 3.23Å; I336-W340 PolarHBondContact O-N 3.06Å
337L86.2Confident80.6Confident0 Ų035.8 Ų35.80%018%0.18CC..Hα-helixtrans-64.1-34.1176.5-71173000112L211 L310 L333 L334 Q335 K341 L353 L373 I376L211-L337 HydrophobicContact CD1-CB 3.77Å; L211-L337 HydrophobicContact CD1-CD1 4.18Å; L211-L337 HydrophobicContact CD2-CB 3.88Å; L211-L337 HydrophobicContact CG-CB 4.49Å; L310-L337 HydrophobicContact CD1-CD2 3.89Å; L310-L337 HydrophobicContact CD2-CD2 4.16Å; L333-L337 WeakPolarHBondContact O-CB 3.47Å; L333-L337 VanDerWaalsContact O-CG 3.22Å; L333-L337 WeakPolarHBondContact O-CG 3.37Å; L333-L337 PolarHBondContact O-N 3.18Å; L334-L337 PolarHBondContact O-N 3.46Å; Q335-L337 PolarHBondContact O-N 3.08Å; L337-K341 WeakPolarHBondContact O-CB 3.48Å; L337-K341 PolarHBondContact O-N 2.82Å; L337-L353 HydrophobicContact CD1-CD2 4.02Å; L337-L353 HydrophobicContact CD2-CD2 3.6Å; L337-L353 HydrophobicContact CG-CD2 4.49Å; L337-L373 HydrophobicContact CD1-CD1 4.2Å; L337-L373 HydrophobicContact CD2-CD1 4.49Å; L337-I376 HydrophobicContact CD1-CG2 4Å
338H81.8Confident80.5Confident22 Ų2237.9 Ų37.910%0.10219%0.19CC..Hα-helixtrans-67.4-50.9176.5176.771.7000110.8T210 L211 L334 Q335 I336 W340 K341 S342T210-H338 PolarHBondContact OG1-ND1 3.22Å; T210-H338 VanDerWaalsContact OG1-ND1 3.12Å; L211-H338 HydrophobicContact CD2-CB 4.25Å; L334-H338 WeakPolarHBondContact O-CB 3.5Å; L334-H338 PolarHBondContact O-N 3.29Å; Q335-H338 WeakPolarHBondContact O-CB 3.28Å; Q335-H338 PolarHBondContact O-N 3.42Å; I336-H338 VanDerWaalsContact C-N 3.26Å; I336-H338 PolarHBondContact O-N 2.84Å; H338-W340 VanDerWaalsContact C-N 3.28Å; H338-W340 PolarHBondContact O-N 3.47Å; H338-K341 PolarHBondContact O-N 2.93Å; H338-S342 PolarHBondContact O-N 3.49Å; H338-S342 PolarHBondContact O-OG 2.91Å; H338-S342 VanDerWaalsContact O-OG 3.07Å
339L81.9Confident80.5Confident5 Ų534 Ų343%0.02617%0.17CC..Hα-helixtrans-56-44.5175.8-70.3174.1000111.6V315 D319 V323 Q335 I336 S342 A343V315-L339 HydrophobicContact CG1-CB 4.09Å; V315-L339 HydrophobicContact CG1-CD1 4Å; V315-L339 HydrophobicContact CG2-CB 3.92Å; D319-L339 HydrophobicContact CB-CD1 4.16Å; V323-L339 HydrophobicContact CG2-CD1 3.64Å; Q335-L339 WeakPolarHBondContact O-CG 3.21Å; Q335-L339 PolarHBondContact O-N 3.36Å; I336-L339 PolarHBondContact O-N 3.37Å; L339-S342 PolarHBondContact O-N 3.37Å; L339-A343 PolarHBondContact O-N 3.19Å; L339-A343 VanDerWaalsContact O-N 3.12Å
340W87.4Confident80.6Confident1 Ų133.1 Ų33.10%0.00417%0.167CC..Hα-helixtrans-59.7-47.2174.6174.678.5000111.6L310 P311 V315 I336 H338 S342 A343 N344 L347 L349L310-W340 HydrophobicContact CB-CD2 4.31Å; L310-W340 HydrophobicContact CB-CG 4.21Å; L310-W340 HydrophobicContact CD1-CB 4.07Å; L310-W340 HydrophobicContact CD1-CD2 4.15Å; L310-W340 HydrophobicContact CD1-CG 3.77Å; L310-W340 HydrophobicContact CD2-CD2 4.32Å; L310-W340 HydrophobicContact CG-CG 4.46Å; P311-W340 HydrophobicContact CG-CZ2 3.94Å; P311-W340 WeakPolarHBondContact O-CZ2 3.02Å; P311-W340 PolarHBondContact O-NE1 3.45Å; V315-W340 HydrophobicContact CG2-CB 3.76Å; I336-W340 WeakPolarHBondContact O-CB 3.23Å; I336-W340 PolarHBondContact O-N 3.06Å; H338-W340 VanDerWaalsContact C-N 3.28Å; H338-W340 PolarHBondContact O-N 3.47Å; W340-S342 VanDerWaalsContact C-N 3.32Å; W340-S342 PolarHBondContact O-N 2.73Å; W340-A343 PolarHBondContact O-N 3.06Å; W340-N344 VanDerWaalsContact CD1-ND2 3.31Å; W340-N344 HydrophobicContact CZ2-CB 4.13Å; W340-N344 PolarHBondContact NE1-ND2 3.27Å; W340-N344 VanDerWaalsContact NE1-ND2 3.19Å; W340-N344 WeakPolarHBondContact O-CB 3.44Å; W340-N344 PolarHBondContact O-N 2.84Å; W340-N344 PolarHBondContact O-ND2 3.09Å; W340-L347 HydrophobicContact CH2-CB 4.1Å; W340-L347 HydrophobicContact CZ2-CB 4.33Å; W340-L347 HydrophobicContact CZ2-CD1 4.04Å; W340-L349 HydrophobicContact CE3-CD1 4.03Å; W340-L349 HydrophobicContact CZ3-CD1 3.65Å
341K81.5Confident81.1Confident1 Ų133.2 Ų33.20%0.00417%0.172CC..Hα-helixtrans-65.9-35.6-178.7-179.356.6-179.461.60112.1E214 L337 H338 N344 Y345 L347E214-K341 HydrophobicContact CB-CG 4.1Å; E214-K341 HydrophobicContact CG-CG 3.96Å; E214-K341 WeakPolarHBondContact OE2-CE 3.28Å; E214-K341 IonicContact OE2-NZ 3.61Å; E214-K341 PolarHBondContact OE2-NZ 3.43Å; L337-K341 WeakPolarHBondContact O-CB 3.48Å; L337-K341 PolarHBondContact O-N 2.82Å; H338-K341 PolarHBondContact O-N 2.93Å; K341-N344 CarbonylContact O-C 3.57Å; K341-N344 PolarHBondContact O-N 3.01Å; K341-Y345 PolarHBondContact NZ-O 3.07Å; K341-Y345 VanDerWaalsContact NZ-O 3.07Å; K341-Y345 WeakPolarHBondContact O-CA 3.48Å; K341-Y345 PolarHBondContact O-N 2.91Å; K341-Y345 VanDerWaalsContact O-N 3.13Å; K341-L347 WeakPolarHBondContact CE-O 3.02Å
342S75.8Confident81.5Confident42 Ų4232.5 Ų32.529%0.29417%0.169SC..Hα-helixtrans-63.4-41.4175-60.10000111.7H338 L339 W340 N344H338-S342 PolarHBondContact O-N 3.49Å; H338-S342 PolarHBondContact O-OG 2.91Å; H338-S342 VanDerWaalsContact O-OG 3.07Å; L339-S342 PolarHBondContact O-N 3.37Å; W340-S342 VanDerWaalsContact C-N 3.32Å; W340-S342 PolarHBondContact O-N 2.73Å; S342-N344 VanDerWaalsContact C-N 3.28Å; S342-N344 PolarHBondContact O-N 3.19Å
343A77.8Confident81.8Confident33 Ų3331.4 Ų31.427%0.27316%0.164SC..Hα-helixtrans-73.9-17.6175.100000113.7V313 L339 W340V313-A343 HydrophobicContact CB-CB 4.3Å; V313-A343 HydrophobicContact CG1-CB 4.26Å; L339-A343 PolarHBondContact O-N 3.19Å; L339-A343 VanDerWaalsContact O-N 3.12Å; W340-A343 PolarHBondContact O-N 3.06Å
344N78.2Confident82.1Confident5 Ų534.8 Ų34.83%0.02719%0.185CC..THydrogen-bonded Turntrans-128.450.9-175.7-63.4-86.8000111.2G312 V313 W340 K341 S342 N346 L347G312-N344 WeakPolarHBondContact CA-OD1 3.44Å; V313-N344 PolarHBondContact N-OD1 3.4Å; V313-N344 PolarHBondContact O-ND2 2.92Å; W340-N344 VanDerWaalsContact CD1-ND2 3.31Å; W340-N344 HydrophobicContact CZ2-CB 4.13Å; W340-N344 PolarHBondContact NE1-ND2 3.27Å; W340-N344 VanDerWaalsContact NE1-ND2 3.19Å; W340-N344 WeakPolarHBondContact O-CB 3.44Å; W340-N344 PolarHBondContact O-N 2.84Å; W340-N344 PolarHBondContact O-ND2 3.09Å; K341-N344 CarbonylContact O-C 3.57Å; K341-N344 PolarHBondContact O-N 3.01Å; S342-N344 VanDerWaalsContact C-N 3.28Å; S342-N344 PolarHBondContact O-N 3.19Å; N344-N346 PolarHBondContact O-N 2.97Å; N344-N346 VanDerWaalsContact O-N 3.09Å; N344-L347 HydrophobicContact CB-CB 4.14Å; N344-L347 HydrophobicContact CB-CD1 3.87Å; N344-L347 HydrophobicContact CB-CG 4.02Å; N344-L347 PolarHBondContact O-N 3.28Å
345Y71.4Confident82.6Confident101 Ų10140 Ų4040%0.39620%0.202SC..THydrogen-bonded Turntrans-58.2-28.8-171.463.6-91.9000113.7Q218 K341Q218-Y345 PolarHBondContact NE2-O 2.79Å; Q218-Y345 PolarHBondContact OE1-O 3.48Å; K341-Y345 PolarHBondContact NZ-O 3.07Å; K341-Y345 VanDerWaalsContact NZ-O 3.07Å; K341-Y345 WeakPolarHBondContact O-CA 3.48Å; K341-Y345 PolarHBondContact O-N 2.91Å; K341-Y345 VanDerWaalsContact O-N 3.13Å
346N70.2Confident83.2Confident98 Ų9839.7 Ų39.752%0.52420%0.201SC..THydrogen-bonded Turntrans-81.8-11.817963.3-25.7000114.1N344N344-N346 PolarHBondContact O-N 2.97Å; N344-N346 VanDerWaalsContact O-N 3.09Å
347L77.8Confident83.5Confident55 Ų5540 Ų4029%0.28820%0.203SC..SBendtrans-91.7141.7-179.5-59.9-172.8000111.8P311 W340 K341 N344 L349P311-L347 HydrophobicContact CG-CD1 4.46Å; W340-L347 HydrophobicContact CH2-CB 4.1Å; W340-L347 HydrophobicContact CZ2-CB 4.33Å; W340-L347 HydrophobicContact CZ2-CD1 4.04Å; K341-L347 WeakPolarHBondContact CE-O 3.02Å; N344-L347 HydrophobicContact CB-CB 4.14Å; N344-L347 HydrophobicContact CB-CD1 3.87Å; N344-L347 HydrophobicContact CB-CG 4.02Å; N344-L347 PolarHBondContact O-N 3.28Å; L347-L349 PolarHBondContact O-N 3.31Å
348D79.4Confident84Confident54 Ų5448.7 Ų48.729%0.28924%0.235SC..  trans-75.4122.6175.8-179.6-72.4000110.9A350 K351 G352D348-A350 PolarHBondContact O-N 2.81Å; D348-A350 WeakPolarHBondContact OD1-CA 3.31Å; D348-A350 WeakPolarHBondContact OD1-CB 3.45Å; D348-A350 PolarHBondContact OD1-N 3.3Å; D348-K351 HydrophobicContact CB-CB 4.08Å; D348-K351 HydrophobicContact CB-CD 3.98Å; D348-K351 HydrophobicContact CB-CG 4.12Å; D348-K351 PolarHBondContact O-N 3.46Å; D348-K351 WeakPolarHBondContact OD1-CG 3.47Å; D348-K351 PolarHBondContact OD1-N 3.42Å; D348-G352 PolarHBondContact O-N 3.18Å
349L81.9Confident84.7Confident5 Ų549.4 Ų49.43%0.02624%0.241CC..Hα-helixtrans-64-38.8-176.9179.461.2000112.6L211 W340 L347 G352 L353 I380L211-L349 HydrophobicContact CB-CD2 4.19Å; L211-L349 HydrophobicContact CD2-CD2 3.95Å; W340-L349 HydrophobicContact CE3-CD1 4.03Å; W340-L349 HydrophobicContact CZ3-CD1 3.65Å; L347-L349 PolarHBondContact O-N 3.31Å; L349-G352 PolarHBondContact O-N 3Å; L349-L353 HydrophobicContact CD1-CD1 4.19Å; L349-L353 HydrophobicContact CD1-CG 4.21Å; L349-L353 HydrophobicContact CG-CD1 4.13Å; L349-L353 WeakPolarHBondContact O-CB 3.36Å; L349-L353 VanDerWaalsContact O-CG 3.27Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.38Å; L349-I380 HydrophobicContact CD2-CD1 3.82Å; L349-I380 HydrophobicContact CD2-CG2 4.47Å; L349-I380 HydrophobicContact CG-CD1 4.25Å; L349-I380 HydrophobicContact CG-CG2 4.47Å
350A83.8Confident85.3Confident29 Ų2949.2 Ų49.224%0.2424%0.24CC..Hα-helixtrans-68.9-41.4-179.100000111.4D348 T354 I380D348-A350 PolarHBondContact O-N 2.81Å; D348-A350 WeakPolarHBondContact OD1-CA 3.31Å; D348-A350 WeakPolarHBondContact OD1-CB 3.45Å; D348-A350 PolarHBondContact OD1-N 3.3Å; A350-T354 WeakPolarHBondContact O-CB 3.45Å; A350-T354 PolarHBondContact O-N 2.97Å; A350-T354 PolarHBondContact O-OG1 3.23Å; A350-I380 HydrophobicContact CB-CG2 4.08Å
351K85.3Confident85.6Confident156 Ų15655.6 Ų55.668%0.67826%0.264SS*.Hα-helixtrans-66.5-41.9173.3-66.9179.4-175.3171.40111D348 T354 R355D348-K351 HydrophobicContact CB-CB 4.08Å; D348-K351 HydrophobicContact CB-CD 3.98Å; D348-K351 HydrophobicContact CB-CG 4.12Å; D348-K351 PolarHBondContact O-N 3.46Å; D348-K351 WeakPolarHBondContact OD1-CG 3.47Å; D348-K351 PolarHBondContact OD1-N 3.42Å; K351-T354 PolarHBondContact O-N 3.2Å; K351-R355 PolarHBondContact O-N 2.76Å
352G89.2Confident86.3Confident2 Ų259.9 Ų59.92%0.02129%0.294CS..Hα-helixtrans-57.7-49.3175.200000112.4D348 L349 T354 R355 S356D348-G352 PolarHBondContact O-N 3.18Å; L349-G352 PolarHBondContact O-N 3Å; G352-T354 PolarHBondContact O-N 2.62Å; G352-R355 PolarHBondContact O-N 3.47Å; G352-S356 WeakPolarHBondContact O-CB 3.17Å; G352-S356 PolarHBondContact O-N 3.37Å
353L90.1Very high87.1Confident0 Ų063.3 Ų63.30%031%0.306CS..Hα-helixtrans-62.9-39.5175.4-73.7171.5000112.8L337 L349 R355 S356 L357 L373 I376 I380L337-L353 HydrophobicContact CD1-CD2 4.02Å; L337-L353 HydrophobicContact CD2-CD2 3.6Å; L337-L353 HydrophobicContact CG-CD2 4.49Å; L349-L353 HydrophobicContact CD1-CD1 4.19Å; L349-L353 HydrophobicContact CD1-CG 4.21Å; L349-L353 HydrophobicContact CG-CD1 4.13Å; L349-L353 WeakPolarHBondContact O-CB 3.36Å; L349-L353 VanDerWaalsContact O-CG 3.27Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.38Å; L353-R355 VanDerWaalsContact C-N 3.34Å; L353-R355 PolarHBondContact O-N 3.49Å; L353-S356 PolarHBondContact O-N 2.69Å; L353-L357 WeakPolarHBondContact O-CB 3.21Å; L353-L357 WeakPolarHBondContact O-CG 3.45Å; L353-L357 PolarHBondContact O-N 3.14Å; L353-L373 HydrophobicContact CD2-CD1 3.58Å; L353-L373 HydrophobicContact CD2-CD2 4.49Å; L353-L373 HydrophobicContact CD2-CG 4.05Å; L353-I376 HydrophobicContact CD1-CG2 4.31Å; L353-I380 HydrophobicContact CD1-CD1 3.54Å
354T91.4Very high87.7Confident74 Ų7470.3 Ų70.345%0.45433%0.333SS..Hα-helixtrans-63.3-41.7177.1-59.50000111.4A350 K351 G352 R358A350-T354 WeakPolarHBondContact O-CB 3.45Å; A350-T354 PolarHBondContact O-N 2.97Å; A350-T354 PolarHBondContact O-OG1 3.23Å; K351-T354 PolarHBondContact O-N 3.2Å; G352-T354 PolarHBondContact O-N 2.62Å; T354-R358 PolarHBondContact O-N 3.43Å
355R93.6Very high88.3Confident150 Ų15070.7 Ų70.757%0.56634%0.336SS*.Hα-helixtrans-66.7-47.4175.1-179.2173.2174175.60.9111.4K351 G352 L353 L357 R358 V359K351-R355 PolarHBondContact O-N 2.76Å; G352-R355 PolarHBondContact O-N 3.47Å; L353-R355 VanDerWaalsContact C-N 3.34Å; L353-R355 PolarHBondContact O-N 3.49Å; R355-L357 VanDerWaalsContact C-N 3.31Å; R355-L357 PolarHBondContact O-N 2.81Å; R355-R358 WeakPolarHBondContact O-CA 3.5Å; R355-R358 WeakPolarHBondContact O-CB 3.12Å; R355-R358 PolarHBondContact O-N 3.05Å; R355-V359 PolarHBondContact O-N 3.4Å
356S94.6Very high89.3Confident0 Ų067.4 Ų67.40%033%0.328CS..Hα-helixtrans-55.9-44.1176.7161.40000112S309 G352 L353 R358 V359 L360 L373S309-S356 VanDerWaalsContact O-CA 3.32Å; S309-S356 WeakPolarHBondContact O-CA 3.08Å; S309-S356 WeakPolarHBondContact OG-CB 3.12Å; S309-S356 PolarHBondContact OG-OG 2.72Å; G352-S356 WeakPolarHBondContact O-CB 3.17Å; G352-S356 PolarHBondContact O-N 3.37Å; L353-S356 PolarHBondContact O-N 2.69Å; S356-R358 PolarHBondContact O-N 2.81Å; S356-V359 PolarHBondContact O-N 3.01Å; S356-L360 WeakPolarHBondContact O-CB 3.39Å; S356-L360 WeakPolarHBondContact O-CG 2.87Å; S356-L360 PolarHBondContact O-N 3.32Å; S356-L373 VanDerWaalsContact OG-CD2 3.23Å; S356-L373 WeakPolarHBondContact OG-CD2 3.46Å
357L95.3Very high90.2Very high8 Ų872.9 Ų72.94%0.04234%0.341CS..Hα-helixtrans-61.8-29.1174.9-77.5168.7000114L353 R355 R361 V370 L373 K374L353-L357 WeakPolarHBondContact O-CB 3.21Å; L353-L357 WeakPolarHBondContact O-CG 3.45Å; L353-L357 PolarHBondContact O-N 3.14Å; R355-L357 VanDerWaalsContact C-N 3.31Å; R355-L357 PolarHBondContact O-N 2.81Å; L357-R361 WeakPolarHBondContact O-CD 3.37Å; L357-R361 VanDerWaalsContact O-CG 3.24Å; L357-R361 WeakPolarHBondContact O-CG 2.97Å; L357-R361 PolarHBondContact O-N 2.97Å; L357-R361 PolarHBondContact O-NE 3.22Å; L357-V370 HydrophobicContact CD2-CG1 4.1Å; L357-L373 HydrophobicContact CD2-CB 3.97Å; L357-L373 HydrophobicContact CD2-CD2 4.14Å; L357-L373 HydrophobicContact CD2-CG 4.22Å; L357-L373 HydrophobicContact CG-CD2 4.23Å; L357-L373 HydrophobicContact CG-CG 4.41Å; L357-K374 HydrophobicContact CD1-CB 4.3Å; L357-K374 HydrophobicContact CD2-CB 4.06Å
358R95.6Very high90.6Very high181 Ų18175 Ų7568%0.68335%0.346SS*.Hα-helixtrans-73.3-46.6174.3-168.2-176.4-63168.5-0.6110.4T354 R355 S356 R361 S362T354-R358 PolarHBondContact O-N 3.43Å; R355-R358 WeakPolarHBondContact O-CA 3.5Å; R355-R358 WeakPolarHBondContact O-CB 3.12Å; R355-R358 PolarHBondContact O-N 3.05Å; S356-R358 PolarHBondContact O-N 2.81Å; R358-R361 PolarHBondContact O-N 3.17Å; R358-S362 PolarHBondContact O-N 3.03Å; R358-S362 VanDerWaalsContact O-N 3.1Å; R358-S362 PolarHBondContact O-OG 3.02Å
359V96.3Very high90.9Very high38 Ų3872.4 Ų72.423%0.2333%0.332CS..Hα-helixtrans-63.2-45.2179.5176.10000111.6R355 S356 R361 S362 Q363R355-V359 PolarHBondContact O-N 3.4Å; S356-V359 PolarHBondContact O-N 3.01Å; V359-R361 VanDerWaalsContact C-N 3.26Å; V359-R361 PolarHBondContact O-N 3.5Å; V359-S362 WeakPolarHBondContact CA-OG 3.09Å; V359-S362 PolarHBondContact O-N 3.38Å; V359-S362 PolarHBondContact O-OG 3.4Å; V359-Q363 HydrophobicContact CG1-CG 4.38Å; V359-Q363 WeakPolarHBondContact O-CB 3.12Å; V359-Q363 WeakPolarHBondContact O-CG 3.5Å; V359-Q363 PolarHBondContact O-N 3.27Å
360L95.4Very high91.3Very high0 Ų073.1 Ų73.10%034%0.337CS..Hα-helixtrans-62.2-33.1177.8-71.7172.2000112.5K305 S356 E364 A365 V370 L373K305-L360 HydrophobicContact CB-CD2 4.29Å; S356-L360 WeakPolarHBondContact O-CB 3.39Å; S356-L360 WeakPolarHBondContact O-CG 2.87Å; S356-L360 PolarHBondContact O-N 3.32Å; L360-E364 PolarHBondContact O-N 3.31Å; L360-A365 HydrophobicContact CB-CB 3.95Å; L360-A365 HydrophobicContact CD2-CB 3.79Å; L360-A365 HydrophobicContact CG-CB 4.46Å; L360-A365 WeakPolarHBondContact O-CB 3.49Å; L360-A365 PolarHBondContact O-N 3.39Å; L360-V370 HydrophobicContact CB-CG2 4.1Å; L360-L373 HydrophobicContact CD1-CD2 3.55Å
361R94.3Very high91.4Very high135 Ų13578.6 Ų78.651%0.50936%0.355SS..Hα-helixtrans-72.4-39.2175.3-73.4175.5-157.1142.210.8112.3L357 R358 V359 Q363 E364 V370L357-R361 WeakPolarHBondContact O-CD 3.37Å; L357-R361 VanDerWaalsContact O-CG 3.24Å; L357-R361 WeakPolarHBondContact O-CG 2.97Å; L357-R361 PolarHBondContact O-N 2.97Å; L357-R361 PolarHBondContact O-NE 3.22Å; R358-R361 PolarHBondContact O-N 3.17Å; V359-R361 VanDerWaalsContact C-N 3.26Å; V359-R361 PolarHBondContact O-N 3.5Å; R361-Q363 VanDerWaalsContact C-N 3.27Å; R361-Q363 PolarHBondContact O-N 3.17Å; R361-E364 PolarHBondContact O-N 3.28Å; R361-V370 HydrophobicContact CG-CG1 4.14Å
362S94.3Very high91.2Very high92 Ų9271.9 Ų71.964%0.64333%0.328SS*.Hα-helixtrans-70.1-24.4176.652.50000113.2R358 V359 E364R358-S362 PolarHBondContact O-N 3.03Å; R358-S362 VanDerWaalsContact O-N 3.1Å; R358-S362 PolarHBondContact O-OG 3.02Å; V359-S362 WeakPolarHBondContact CA-OG 3.09Å; V359-S362 PolarHBondContact O-N 3.38Å; V359-S362 PolarHBondContact O-OG 3.4Å; S362-E364 VanDerWaalsContact C-N 3.34Å
363Q93.3Very high91.1Very high113 Ų11371.9 Ų71.953%0.52833%0.327SS..THydrogen-bonded Turntrans-94.314.7177.5-67.8177.9-16.600113.1V359 R361 A365V359-Q363 HydrophobicContact CG1-CG 4.38Å; V359-Q363 WeakPolarHBondContact O-CB 3.12Å; V359-Q363 WeakPolarHBondContact O-CG 3.5Å; V359-Q363 PolarHBondContact O-N 3.27Å; R361-Q363 VanDerWaalsContact C-N 3.27Å; R361-Q363 PolarHBondContact O-N 3.17Å; Q363-A365 PolarHBondContact O-N 3.27Å; Q363-A365 VanDerWaalsContact O-N 3.07Å
364E91Very high91Very high180 Ų18075.9 Ų75.984%0.84134%0.344SS*.THydrogen-bonded Turntrans51.834.4179.7-58.2-172.4165.900114.2L360 R361 S362L360-E364 PolarHBondContact O-N 3.31Å; R361-E364 PolarHBondContact O-N 3.28Å; S362-E364 VanDerWaalsContact C-N 3.34Å
365A91Very high90.7Very high13 Ų1377.6 Ų77.611%0.10735%0.345CS..  trans-61.8153.3-178.200000111.9L360 Q363 R367 V370L360-A365 HydrophobicContact CB-CB 3.95Å; L360-A365 HydrophobicContact CD2-CB 3.79Å; L360-A365 HydrophobicContact CG-CB 4.46Å; L360-A365 WeakPolarHBondContact O-CB 3.49Å; L360-A365 PolarHBondContact O-N 3.39Å; Q363-A365 PolarHBondContact O-N 3.27Å; Q363-A365 VanDerWaalsContact O-N 3.07Å; A365-R367 PolarHBondContact O-N 3.4Å; A365-V370 HydrophobicContact CB-CG2 4.3Å
366P91.6Very high90.1Very high32 Ų3270.8 Ų70.821%0.20832%0.32CS..  trans-54.1135-175.3-26.233.4000113.4Y368 L369 V370P366-Y368 HydrophobicContact CB-CD1 3.72Å; P366-Y368 HydrophobicContact CB-CD2 4.32Å; P366-Y368 HydrophobicContact CB-CE1 3.24Å; P366-Y368 HydrophobicContact CB-CE2 3.89Å; P366-Y368 HydrophobicContact CB-CG 4.24Å; P366-Y368 HydrophobicContact CG-CE1 4.09Å; P366-Y368 HydrophobicContact CG-CE2 4.48Å; P366-Y368 PolarHBondContact O-N 3.43Å; P366-Y368 VanDerWaalsContact O-N 3.11Å; P366-L369 HydrophobicContact CB-CB 4.49Å; P366-L369 WeakPolarHBondContact O-CB 3.15Å; P366-L369 PolarHBondContact O-N 3.25Å; P366-V370 PolarHBondContact O-N 3.05Å
367R88.8Confident89.7Confident214 Ų21471.5 Ų71.581%0.80833%0.325SS*.Hα-helixtrans-57.4-32.6-175.1-69.6-177.7178.4179.4-0.4113.2A365 L369 K371A365-R367 PolarHBondContact O-N 3.4Å; R367-L369 VanDerWaalsContact C-N 3.33Å; R367-K371 WeakPolarHBondContact O-CB 3.41Å; R367-K371 VanDerWaalsContact O-CG 3.26Å; R367-K371 WeakPolarHBondContact O-CG 3.5Å; R367-K371 PolarHBondContact O-N 3.06Å
368Y85.9Confident89.1Confident99 Ų9978.2 Ų78.239%0.38835%0.35SS..Hα-helixtrans-64-39.6176.959.2-104.4000111.7L295 L298 D302 P366 K371 S372L295-Y368 HydrophobicContact CD1-CD2 3.6Å; L295-Y368 HydrophobicContact CD1-CE2 4.41Å; L295-Y368 HydrophobicContact CD1-CG 4.45Å; L295-Y368 HydrophobicContact CD2-CD2 4.3Å; L295-Y368 HydrophobicContact CD2-CG 4.48Å; L298-Y368 HydrophobicContact CD2-CE2 4.13Å; D302-Y368 PolarHBondContact OD1-OH 3.41Å; D302-Y368 PolarHBondContact OD2-OH 2.8Å; P366-Y368 HydrophobicContact CB-CD1 3.72Å; P366-Y368 HydrophobicContact CB-CD2 4.32Å; P366-Y368 HydrophobicContact CB-CE1 3.24Å; P366-Y368 HydrophobicContact CB-CE2 3.89Å; P366-Y368 HydrophobicContact CB-CG 4.24Å; P366-Y368 HydrophobicContact CG-CE1 4.09Å; P366-Y368 HydrophobicContact CG-CE2 4.48Å; P366-Y368 PolarHBondContact O-N 3.43Å; P366-Y368 VanDerWaalsContact O-N 3.11Å; Y368-K371 PolarHBondContact O-N 2.63Å; Y368-S372 WeakPolarHBondContact O-CB 3.22Å; Y368-S372 PolarHBondContact O-N 2.87Å; Y368-S372 PolarHBondContact O-OG 3.3Å; Y368-S372 VanDerWaalsContact O-OG 3.05Å
369L87.2Confident88.3Confident0 Ų070.7 Ų70.70%032%0.323CS..Hα-helixtrans-68.3-48.3-178-170.663.4000110.3L298 D302 K305 V306 L333 P366 R367 K371 S372 L373L298-L369 HydrophobicContact CD2-CD1 3.73Å; D302-L369 HydrophobicContact CB-CD1 4.48Å; D302-L369 HydrophobicContact CB-CD2 4.48Å; K305-L369 HydrophobicContact CB-CD2 4.31Å; V306-L369 HydrophobicContact CG2-CD1 3.58Å; V306-L369 HydrophobicContact CG2-CD2 3.83Å; V306-L369 HydrophobicContact CG2-CG 3.83Å; L333-L369 HydrophobicContact CD2-CD1 4.24Å; P366-L369 HydrophobicContact CB-CB 4.49Å; P366-L369 WeakPolarHBondContact O-CB 3.15Å; P366-L369 PolarHBondContact O-N 3.25Å; R367-L369 VanDerWaalsContact C-N 3.33Å; L369-K371 VanDerWaalsContact C-N 3.35Å; L369-K371 PolarHBondContact O-N 3.01Å; L369-S372 PolarHBondContact O-N 3.38Å; L369-L373 WeakPolarHBondContact O-CB 3.4Å; L369-L373 PolarHBondContact O-N 3.16Å
370V89.4Confident87.4Confident20 Ų2069.3 Ų69.312%0.12132%0.315CS..Hα-helixtrans-61.8-41.1176.6-179.30000111.3L357 L360 R361 A365 P366 K374L357-V370 HydrophobicContact CD2-CG1 4.1Å; L360-V370 HydrophobicContact CB-CG2 4.1Å; R361-V370 HydrophobicContact CG-CG1 4.14Å; A365-V370 HydrophobicContact CB-CG2 4.3Å; P366-V370 PolarHBondContact O-N 3.05Å; V370-K374 WeakPolarHBondContact O-CB 3.06Å; V370-K374 PolarHBondContact O-N 3.11Å
371K85.9Confident86.3Confident144 Ų14471.9 Ų71.963%0.62634%0.341SS*.Hα-helixtrans-63.3-44.6176.8-80.6179.2-179.8-1780111.8R367 Y368 L369 K374 K375R367-K371 WeakPolarHBondContact O-CB 3.41Å; R367-K371 VanDerWaalsContact O-CG 3.26Å; R367-K371 WeakPolarHBondContact O-CG 3.5Å; R367-K371 PolarHBondContact O-N 3.06Å; Y368-K371 PolarHBondContact O-N 2.63Å; L369-K371 VanDerWaalsContact C-N 3.35Å; L369-K371 PolarHBondContact O-N 3.01Å; K371-K374 PolarHBondContact O-N 2.9Å; K371-K375 WeakPolarHBondContact O-CG 3.13Å; K371-K375 PolarHBondContact O-N 3.44Å; K371-K375 VanDerWaalsContact O-N 3.14Å
372S81.5Confident85Confident15 Ų1569.8 Ų69.811%0.10534%0.343CS..Hα-helixtrans-65.1-48.6179.7-65.80000111.7L295 Y368 L369 K374 K375 I376L295-S372 VanDerWaalsContact CD1-OG 3.26Å; L295-S372 WeakPolarHBondContact CD1-OG 3.37Å; L295-S372 WeakPolarHBondContact CG-OG 3.47Å; Y368-S372 WeakPolarHBondContact O-CB 3.22Å; Y368-S372 PolarHBondContact O-N 2.87Å; Y368-S372 PolarHBondContact O-OG 3.3Å; Y368-S372 VanDerWaalsContact O-OG 3.05Å; L369-S372 PolarHBondContact O-N 3.38Å; S372-K374 VanDerWaalsContact C-N 3.28Å; S372-K374 PolarHBondContact O-N 3.44Å; S372-K375 WeakPolarHBondContact O-CB 3.19Å; S372-K375 PolarHBondContact O-N 3.26Å; S372-K375 VanDerWaalsContact O-N 3.13Å; S372-I376 PolarHBondContact O-N 3.31Å
373L86.8Confident83.5Confident1 Ų166.2 Ų66.21%0.00532%0.318CS..Hα-helixtrans-64.7-33.5178.1-163.668.6000112.1L337 L353 S356 L357 L360 L369 K375 I376 S377L337-L373 HydrophobicContact CD1-CD1 4.2Å; L337-L373 HydrophobicContact CD2-CD1 4.49Å; L353-L373 HydrophobicContact CD2-CD1 3.58Å; L353-L373 HydrophobicContact CD2-CD2 4.49Å; L353-L373 HydrophobicContact CD2-CG 4.05Å; S356-L373 VanDerWaalsContact OG-CD2 3.23Å; S356-L373 WeakPolarHBondContact OG-CD2 3.46Å; L357-L373 HydrophobicContact CD2-CB 3.97Å; L357-L373 HydrophobicContact CD2-CD2 4.14Å; L357-L373 HydrophobicContact CD2-CG 4.22Å; L357-L373 HydrophobicContact CG-CD2 4.23Å; L357-L373 HydrophobicContact CG-CG 4.41Å; L360-L373 HydrophobicContact CD1-CD2 3.55Å; L369-L373 WeakPolarHBondContact O-CB 3.4Å; L369-L373 PolarHBondContact O-N 3.16Å; L373-K375 PolarHBondContact O-N 2.99Å; L373-I376 PolarHBondContact O-N 3.05Å; L373-S377 VanDerWaalsContact O-CB 3.27Å; L373-S377 WeakPolarHBondContact O-CB 3.48Å; L373-S377 PolarHBondContact O-N 3.18Å
374K87.2Confident81.4Confident84 Ų8465 Ų6537%0.36532%0.322SS..Hα-helixtrans-65.4-35.4174.4-172.5178.4-175.2-179.80112.5L357 V370 K371 S372 R378L357-K374 HydrophobicContact CD1-CB 4.3Å; L357-K374 HydrophobicContact CD2-CB 4.06Å; V370-K374 WeakPolarHBondContact O-CB 3.06Å; V370-K374 PolarHBondContact O-N 3.11Å; K371-K374 PolarHBondContact O-N 2.9Å; S372-K374 VanDerWaalsContact C-N 3.28Å; S372-K374 PolarHBondContact O-N 3.44Å; K374-R378 WeakPolarHBondContact O-CB 3.3Å; K374-R378 WeakPolarHBondContact O-CG 3.33Å; K374-R378 PolarHBondContact O-N 3.16Å
375K85.3Confident79.5Confident110 Ų11057.5 Ų57.548%0.47829%0.29SS..Hα-helixtrans-66-47.3174.5-72.7178-178.9-1790111K371 S372 L373 R378 I379K371-K375 WeakPolarHBondContact O-CG 3.13Å; K371-K375 PolarHBondContact O-N 3.44Å; K371-K375 VanDerWaalsContact O-N 3.14Å; S372-K375 WeakPolarHBondContact O-CB 3.19Å; S372-K375 PolarHBondContact O-N 3.26Å; S372-K375 VanDerWaalsContact O-N 3.13Å; L373-K375 PolarHBondContact O-N 2.99Å; K375-R378 PolarHBondContact O-N 3.49Å; K375-I379 WeakPolarHBondContact O-CG1 3.47Å; K375-I379 PolarHBondContact O-N 3.44Å
376I82.4Confident77.9Confident8 Ų859 Ų594%0.04130%0.295CS..Hα-helixtrans-59.3-49.1176.5-65.7169.7000110.5L333 L334 L337 L353 S372 L373 R378 I379 I380L333-I376 HydrophobicContact CB-CD1 4.43Å; L334-I376 HydrophobicContact CD2-CD1 4.06Å; L337-I376 HydrophobicContact CD1-CG2 4Å; L353-I376 HydrophobicContact CD1-CG2 4.31Å; S372-I376 PolarHBondContact O-N 3.31Å; L373-I376 PolarHBondContact O-N 3.05Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 3.09Å; I376-I379 PolarHBondContact O-N 3.31Å; I376-I379 VanDerWaalsContact O-N 3.16Å; I376-I380 HydrophobicContact CG2-CD1 3.71Å; I376-I380 PolarHBondContact O-N 3.49Å
377S85.4Confident76.2Confident15 Ų1563.9 Ų63.911%0.10531%0.313CS..Hα-helixtrans-58.1-41.2177.41740000113L373 G381L373-S377 VanDerWaalsContact O-CB 3.27Å; L373-S377 WeakPolarHBondContact O-CB 3.48Å; L373-S377 PolarHBondContact O-N 3.18Å; S377-G381 PolarHBondContact O-N 2.9Å
378R83.4Confident74.6Confident148 Ų14861.6 Ų61.656%0.55831%0.309SS*.Hα-helixtrans-63.4-46174.8-78.9173.4177.3173.6-6.1111.7K374 K375 I376 G381 T382K374-R378 WeakPolarHBondContact O-CB 3.3Å; K374-R378 WeakPolarHBondContact O-CG 3.33Å; K374-R378 PolarHBondContact O-N 3.16Å; K375-R378 PolarHBondContact O-N 3.49Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 3.09Å; R378-G381 PolarHBondContact O-N 3.09Å; R378-T382 WeakPolarHBondContact O-CB 3.26Å; R378-T382 WeakPolarHBondContact O-CG2 3.46Å; R378-T382 PolarHBondContact O-N 2.82Å; R378-T382 PolarHBondContact O-OG1 3.28Å
379I78.1Confident73.5Confident24 Ų2458.3 Ų58.312%0.12330%0.296CS..Hα-helixtrans-61.5-50.4-178.7-67.2162.7000110.2K288 V289 C292 K375 I376 G381 T382 T383K288-I379 HydrophobicContact CB-CD1 4.1Å; K288-I379 HydrophobicContact CB-CG1 4.36Å; K288-I379 HydrophobicContact CB-CG2 3.9Å; V289-I379 HydrophobicContact CG2-CB 4.21Å; V289-I379 HydrophobicContact CG2-CG2 3.54Å; C292-I379 WeakPolarHBondContact SG-CD1 3.41Å; K375-I379 WeakPolarHBondContact O-CG1 3.47Å; K375-I379 PolarHBondContact O-N 3.44Å; I376-I379 PolarHBondContact O-N 3.31Å; I376-I379 VanDerWaalsContact O-N 3.16Å; I379-G381 VanDerWaalsContact C-N 3.33Å; I379-G381 PolarHBondContact O-N 3.37Å; I379-T382 PolarHBondContact O-N 3.24Å; I379-T382 PolarHBondContact O-OG1 2.74Å; I379-T383 PolarHBondContact O-OG1 3.42Å
380I77.1Confident72.3Confident9 Ų961.4 Ų61.45%0.04631%0.31CS..Hα-helixtrans-59.9-41.8177.2-73166.9000111.5A215 L349 A350 L353 I376 T383A215-I380 HydrophobicContact CB-CG2 3.82Å; L349-I380 HydrophobicContact CD2-CD1 3.82Å; L349-I380 HydrophobicContact CD2-CG2 4.47Å; L349-I380 HydrophobicContact CG-CD1 4.25Å; L349-I380 HydrophobicContact CG-CG2 4.47Å; A350-I380 HydrophobicContact CB-CG2 4.08Å; L353-I380 HydrophobicContact CD1-CD1 3.54Å; I376-I380 HydrophobicContact CG2-CD1 3.71Å; I376-I380 PolarHBondContact O-N 3.49Å; I380-T383 PolarHBondContact O-OG1 3.13Å
381G72.2Confident71Confident53 Ų5368.4 Ų68.455%0.54634%0.339SS..Hα-helixtrans-72.9-24179.200000114.8S377 R378 I379S377-G381 PolarHBondContact O-N 2.9Å; R378-G381 PolarHBondContact O-N 3.09Å; I379-G381 VanDerWaalsContact C-N 3.33Å; I379-G381 PolarHBondContact O-N 3.37Å
382T68.1Low70.1Confident91 Ų9164.4 Ų64.456%0.55832%0.323SS*.THydrogen-bonded Turntrans-87.2-2.6-179.3570000114.5R378 I379 S384R378-T382 WeakPolarHBondContact O-CB 3.26Å; R378-T382 WeakPolarHBondContact O-CG2 3.46Å; R378-T382 PolarHBondContact O-N 2.82Å; R378-T382 PolarHBondContact O-OG1 3.28Å; I379-T382 PolarHBondContact O-N 3.24Å; I379-T382 PolarHBondContact O-OG1 2.74Å; T382-S384 PolarHBondContact O-N 2.93Å
383T61.3Low69.4Low18 Ų1863.8 Ų63.811%0.1132%0.319CS..  trans-69.376.9-178.5-15.30000110.9V216 C285 I379 I380 A385 H386V216-T383 HydrophobicContact CG2-CG2 3.81Å; C285-T383 HydrophobicContact CB-CG2 3.83Å; I379-T383 PolarHBondContact O-OG1 3.42Å; I380-T383 PolarHBondContact O-OG1 3.13Å; T383-A385 PolarHBondContact O-N 3.24Å; T383-A385 VanDerWaalsContact O-N 3.16Å; T383-H386 PolarHBondContact O-CE1 3.02Å; T383-H386 PolarHBondContact O-ND1 3.1Å
384S50.8Low68.4Low88 Ų8867 Ų6762%0.61534%0.335SS*.THydrogen-bonded Turntrans-68.1-6-179.858.10000114.2T382 H386 K387T382-S384 PolarHBondContact O-N 2.93Å; S384-H386 PolarHBondContact O-N 3.38Å; S384-K387 PolarHBondContact O-N 2.76Å; S384-K387 VanDerWaalsContact O-N 3.16Å
385A50.6Low67.2Low21 Ų2165.6 Ų65.617%0.17434%0.335CS..THydrogen-bonded Turntrans-61.1-26.3-177.200000113.6T383T383-A385 PolarHBondContact O-N 3.24Å; T383-A385 VanDerWaalsContact O-N 3.16Å
386H56.3Low65.9Low46 Ų4661 Ų6121%0.21332%0.315CS..Hα-helixtrans-68.4-32.817767.6-85.5000112.5L220 T383 S384 K388 Y389 E390L220-H386 HydrophobicContact CD2-CB 4.42Å; T383-H386 PolarHBondContact O-CE1 3.02Å; T383-H386 PolarHBondContact O-ND1 3.1Å; S384-H386 PolarHBondContact O-N 3.38Å; H386-K388 VanDerWaalsContact C-N 3.32Å; H386-K388 PolarHBondContact O-N 3.1Å; H386-Y389 PolarHBondContact O-N 3.07Å; H386-Y389 VanDerWaalsContact O-N 3.14Å; H386-E390 IonicContact CD2-OE2 3.93Å; H386-E390 WeakPolarHBondContact O-CB 3.45Å; H386-E390 PolarHBondContact O-N 3.17Å
387K56.6Low64.7Low134 Ų13462.4 Ų62.458%0.58332%0.322SS*.Hα-helixtrans-62.6-31.5-173.2-69.8-171175.8-174.80114.7S384S384-K387 PolarHBondContact O-N 2.76Å; S384-K387 VanDerWaalsContact O-N 3.16Å
388K56Low63.2Low166 Ų16668.5 Ų68.572%0.72235%0.348SS*.Hα-helixtrans-72.7-38.6177.8-173.4178.6179.4-179.30111.5H386H386-K388 VanDerWaalsContact C-N 3.32Å; H386-K388 PolarHBondContact O-N 3.1Å
389Y61.3Low61.6Low30 Ų3067.1 Ų67.112%0.11835%0.352CS..Hα-helixtrans-88.4-26.5-177.7-72.8-94.4000112.5G277 I278 H386 K391 M392 F393G277-Y389 PolarHBondContact N-OH 2.54Å; I278-Y389 HydrophobicContact CB-CD2 4.49Å; I278-Y389 HydrophobicContact CB-CE2 4.3Å; I278-Y389 HydrophobicContact CD1-CD1 3.17Å; I278-Y389 HydrophobicContact CD1-CD2 3.75Å; I278-Y389 HydrophobicContact CD1-CE1 3.5Å; I278-Y389 HydrophobicContact CD1-CE2 4.09Å; I278-Y389 HydrophobicContact CD1-CG 3.25Å; I278-Y389 HydrophobicContact CG1-CD1 3.66Å; I278-Y389 HydrophobicContact CG1-CD2 3.23Å; I278-Y389 HydrophobicContact CG1-CE1 3.75Å; I278-Y389 HydrophobicContact CG1-CE2 3.38Å; I278-Y389 HydrophobicContact CG1-CG 3.34Å; I278-Y389 PolarHBondContact N-OH 2.78Å; H386-Y389 PolarHBondContact O-N 3.07Å; H386-Y389 VanDerWaalsContact O-N 3.14Å; Y389-K391 PolarHBondContact O-N 3.14Å; Y389-M392 HydrophobicContact CD1-SD 3.96Å; Y389-M392 HydrophobicContact CE1-SD 4.35Å; Y389-M392 CarbonylContact O-C 3.46Å; Y389-M392 WeakPolarHBondContact O-CA 3.42Å; Y389-M392 WeakPolarHBondContact O-CB 3.3Å; Y389-M392 PolarHBondContact O-N 2.91Å; Y389-F393 WeakPolarHBondContact O-CD2 3.4Å; Y389-F393 PolarHBondContact O-N 2.72Å
390E62.4Low60.1Low65 Ų6570.8 Ų70.830%0.30437%0.369SS..Hα-helixtrans-52.7-44.2165.4174.8174-159.800110.7L223 H386 M392 F393 M394L223-E390 HydrophobicContact CD1-CB 3.96Å; L223-E390 HydrophobicContact CD1-CG 3.81Å; L223-E390 HydrophobicContact CD2-CG 3.71Å; L223-E390 HydrophobicContact CG-CG 4.44Å; H386-E390 IonicContact CD2-OE2 3.93Å; H386-E390 WeakPolarHBondContact O-CB 3.45Å; H386-E390 PolarHBondContact O-N 3.17Å; E390-M392 PolarHBondContact O-N 3.21Å; E390-F393 PolarHBondContact O-N 3.12Å; E390-M394 HydrophobicContact CG-CG 4.37Å; E390-M394 WeakPolarHBondContact O-CA 3.44Å; E390-M394 WeakPolarHBondContact O-CB 3.37Å; E390-M394 WeakPolarHBondContact O-CG 3.22Å; E390-M394 PolarHBondContact O-N 3.17Å
391K63.3Low58.2Low166 Ų16675.8 Ų75.872%0.72240%0.404SS*.Hα-helixtrans-62.7-40.6173.2-71.5-173.1179.8-1730113.4Y389 M394 S395Y389-K391 PolarHBondContact O-N 3.14Å; K391-M394 PolarHBondContact O-N 2.81Å; K391-S395 PolarHBondContact O-N 2.85Å; K391-S395 PolarHBondContact O-OG 3.39Å
392M66.6Low56.6Low61 Ų6178.4 Ų78.430%0.341%0.413SS..Hα-helixtrans-66.1-44.2177.4174.6-172.916100112N236 Y389 E390 S395N236-M392 WeakPolarHBondContact O-CE 3.34Å; Y389-M392 HydrophobicContact CD1-SD 3.96Å; Y389-M392 HydrophobicContact CE1-SD 4.35Å; Y389-M392 CarbonylContact O-C 3.46Å; Y389-M392 WeakPolarHBondContact O-CA 3.42Å; Y389-M392 WeakPolarHBondContact O-CB 3.3Å; Y389-M392 PolarHBondContact O-N 2.91Å; E390-M392 PolarHBondContact O-N 3.21Å; M392-S395 PolarHBondContact O-OG 3.14Å
393F66.5Low54.9Low1 Ų182.9 Ų82.90%0.00443%0.425CS..Hα-helixtrans-70.2-35.1174.7-74.3-67.3000111.3L220 L223 L225 I233 L237 L264 Y389 E390 M396 F397L220-F393 HydrophobicContact CD1-CD2 4.49Å; L220-F393 HydrophobicContact CD1-CE2 4.02Å; L220-F393 HydrophobicContact CD2-CD2 3.89Å; L220-F393 HydrophobicContact CD2-CE2 4.24Å; L223-F393 HydrophobicContact CD1-CB 4.21Å; L225-F393 HydrophobicContact CD1-CB 4.29Å; L225-F393 HydrophobicContact CD1-CD1 3.83Å; L225-F393 HydrophobicContact CD1-CD2 4.47Å; L225-F393 HydrophobicContact CD1-CE1 4.27Å; L225-F393 HydrophobicContact CD1-CG 3.95Å; L225-F393 HydrophobicContact CD2-CB 4.14Å; L225-F393 HydrophobicContact CD2-CD1 3.72Å; L225-F393 HydrophobicContact CD2-CG 4.22Å; L225-F393 HydrophobicContact CG-CD1 4.44Å; I233-F393 HydrophobicContact CG2-CE1 4.3Å; L237-F393 HydrophobicContact CD2-CE1 4.23Å; L237-F393 HydrophobicContact CD2-CZ 3.79Å; L264-F393 HydrophobicContact CD2-CZ 4.22Å; Y389-F393 WeakPolarHBondContact O-CD2 3.4Å; Y389-F393 PolarHBondContact O-N 2.72Å; E390-F393 PolarHBondContact O-N 3.12Å; F393-M396 HydrophobicContact CD1-SD 3.67Å; F393-M396 HydrophobicContact CE1-SD 4.26Å; F393-M396 VanDerWaalsContact O-CB 3.3Å; F393-M396 WeakPolarHBondContact O-CB 3.46Å; F393-M396 PolarHBondContact O-N 3.39Å; F393-F397 WeakPolarHBondContact O-CD2 3.45Å; F393-F397 WeakPolarHBondContact O-CE2 3.5Å
394M64.9Low53.5Low70 Ų7091.5 Ų91.535%0.34546%0.461SS..Hα-helixtrans-64.4-38.1174.3-79-68.7147.800112.9L223 E390 K391 M396 F397 Q398L223-M394 HydrophobicContact CB-CE 3.47Å; L223-M394 VanDerWaalsContact CB-CE 3.47Å; L223-M394 HydrophobicContact CD1-CE 4.33Å; L223-M394 HydrophobicContact CD2-CE 3.4Å; L223-M394 HydrophobicContact CG-CE 3.86Å; E390-M394 HydrophobicContact CG-CG 4.37Å; E390-M394 WeakPolarHBondContact O-CA 3.44Å; E390-M394 WeakPolarHBondContact O-CB 3.37Å; E390-M394 WeakPolarHBondContact O-CG 3.22Å; E390-M394 PolarHBondContact O-N 3.17Å; K391-M394 PolarHBondContact O-N 2.81Å; M394-M396 PolarHBondContact O-N 3.42Å; M394-F397 PolarHBondContact O-N 2.78Å; M394-F397 VanDerWaalsContact O-N 3.09Å; M394-F397 HydrophobicContact SD-CD2 4.36Å; M394-Q398 PolarHBondContact O-N 3.23Å
395S63.4Low52.5Low54 Ų5491.9 Ų91.938%0.37847%0.47SS..Hα-helixtrans-63.4-26.8173.948.60000112.8K391 M392 F397 Q398 D399K391-S395 PolarHBondContact O-N 2.85Å; K391-S395 PolarHBondContact O-OG 3.39Å; M392-S395 PolarHBondContact O-OG 3.14Å; S395-F397 PolarHBondContact O-N 3.34Å; S395-Q398 PolarHBondContact O-N 3.47Å; S395-Q398 VanDerWaalsContact O-N 3.16Å; S395-D399 PolarHBondContact O-N 3.19Å
396M58.4Low51.6Low12 Ų12100 Ų1006%0.05950%0.504CS..Hα-helixtrans-65.9-24.7174.2-60.4172.554.200113.1N236 F393 M394N236-M396 HydrophobicContact CB-CE 3.77Å; N236-M396 HydrophobicContact CB-CG 4.44Å; N236-M396 HydrophobicContact CB-SD 3.65Å; N236-M396 WeakPolarHBondContact ND2-CE 3.24Å; F393-M396 HydrophobicContact CD1-SD 3.67Å; F393-M396 HydrophobicContact CE1-SD 4.26Å; F393-M396 VanDerWaalsContact O-CB 3.3Å; F393-M396 WeakPolarHBondContact O-CB 3.46Å; F393-M396 PolarHBondContact O-N 3.39Å; M394-M396 PolarHBondContact O-N 3.42Å
397F56Low50.5Low39 Ų39106.6 Ų106.617%0.17153%0.532CS..Hα-helixtrans-87.8-23.2173.6-60.7-83000112.9L223 R224 L225 V228 F393 M394 S395 D399 E400L223-F397 WeakPolarHBondContact O-CE2 3.33Å; L223-F397 WeakPolarHBondContact O-CZ 2.97Å; R224-F397 VanDerWaalsContact C-CZ 3.47Å; R224-F397 HydrophobicContact CB-CE1 4.12Å; R224-F397 HydrophobicContact CB-CZ 4.17Å; L225-F397 HydrophobicContact CD2-CE2 3.83Å; L225-F397 HydrophobicContact CD2-CZ 3.77Å; L225-F397 HydrophobicContact CG-CE2 4.33Å; L225-F397 HydrophobicContact CG-CZ 4.17Å; V228-F397 HydrophobicContact CG2-CD1 4Å; V228-F397 HydrophobicContact CG2-CE1 3.23Å; V228-F397 HydrophobicContact CG2-CZ 3.64Å; F393-F397 WeakPolarHBondContact O-CD2 3.45Å; F393-F397 WeakPolarHBondContact O-CE2 3.5Å; M394-F397 PolarHBondContact O-N 2.78Å; M394-F397 VanDerWaalsContact O-N 3.09Å; M394-F397 HydrophobicContact SD-CD2 4.36Å; S395-F397 PolarHBondContact O-N 3.34Å; F397-D399 PolarHBondContact O-N 3.49Å; F397-E400 WeakPolarHBondContact O-CB 2.98Å; F397-E400 PolarHBondContact O-N 3.38Å
398Q54.1Low49.7Very low142 Ų142108.4 Ų108.466%0.66454%0.542SS*.Hα-helixtrans-68.9-26.2176.5-71.4-179.5-1800111.9M394 S395 E400 S401M394-Q398 PolarHBondContact O-N 3.23Å; S395-Q398 PolarHBondContact O-N 3.47Å; S395-Q398 VanDerWaalsContact O-N 3.16Å; Q398-E400 PolarHBondContact O-N 3.31Å; Q398-S401 PolarHBondContact O-N 3.05Å; Q398-S401 PolarHBondContact O-OG 2.85Å
399D49.4Very low48.6Very low120 Ų120108.4 Ų108.464%0.64255%0.549SS*.G310 helixtrans-68-7.2168.8-81.5-21.4000113.8S395 F397 S401S395-D399 PolarHBondContact O-N 3.19Å; F397-D399 PolarHBondContact O-N 3.49Å; D399-S401 VanDerWaalsContact C-N 3.3Å; D399-S401 PolarHBondContact O-N 3.49Å
400E46.3Very low47.5Very low100 Ų100113.5 Ų113.547%0.46758%0.578SS.*G310 helixtrans-79.8-2.4173.2-66-143.7151.800114.5R232 F397 Q398 C402 F403R232-E400 IonicContact NH1-OE1 2.54Å; F397-E400 WeakPolarHBondContact O-CB 2.98Å; F397-E400 PolarHBondContact O-N 3.38Å; Q398-E400 PolarHBondContact O-N 3.31Å; E400-C402 PolarHBondContact O-N 3.18Å; E400-F403 PolarHBondContact O-N 3.44Å
401S38.7Very low46.2Very low114 Ų114123 Ų12380%0.79762%0.623SS**G310 helixtrans-66.55.7172.565.20000114.2Q398 D399Q398-S401 PolarHBondContact O-N 3.05Å; Q398-S401 PolarHBondContact O-OG 2.85Å; D399-S401 VanDerWaalsContact C-N 3.3Å; D399-S401 PolarHBondContact O-N 3.49Å
402C38.6Very low45.4Very low109 Ų109120.9 Ų120.974%0.73662%0.618SS**G310 helixtrans-88.4-0.3177.1-1520000114.9E400E400-C402 PolarHBondContact O-N 3.18Å
403F31.9Very low44.3Very low185 Ų185124.1 Ų124.181%0.81164%0.635SS**  trans-106.486168.7-69.4-76.2000110.7E400 A405E400-F403 PolarHBondContact O-N 3.44Å; F403-A405 PolarHBondContact O-N 2.81Å
404K31.5Very low43Very low198 Ų198130.9 Ų130.986%0.86167%0.67SS**  trans-53.4132.9155.6-83.8178.4176.6174.90107.6H406K404-H406 PolarHBondContact O-N 3.47Å; K404-H406 VanDerWaalsContact O-N 3.17Å
405A30.2Very low41.7Very low96 Ų96134.5 Ų134.579%0.79369%0.689SS**  trans-43.3123.9169.900000109.6F403 K407F403-A405 PolarHBondContact O-N 2.81Å; A405-K407 PolarHBondContact O-N 3.32Å
406H32.2Very low40.4Very low191 Ų191139.5 Ų139.588%0.88471%0.709SS**  trans-55.9109.3165.8-107.7-75.8000107K404 Q408K404-H406 PolarHBondContact O-N 3.47Å; K404-H406 VanDerWaalsContact O-N 3.17Å; H406-Q408 PolarHBondContact O-N 2.83Å
407K32.8Very low39.2Very low186 Ų186148 Ų14881%0.80975%0.752SS**  trans-55.1123.7167.1-168.4177.4-177.4-173.50106.4A405 L409A405-K407 PolarHBondContact O-N 3.32Å; K407-L409 PolarHBondContact O-N 2.71Å; K407-L409 VanDerWaalsContact O-N 3.14Å
408Q39Very low38Very low172 Ų172155.8 Ų155.880%0.80479%0.793SS**  trans-57.1118167.9-79.5179.6-25.900107.7H406 N410H406-Q408 PolarHBondContact O-N 2.83Å; Q408-N410 PolarHBondContact O-N 2.63Å
409L33.1Very low36.8Very low166 Ų166156.8 Ų156.887%0.86980%0.803SS**  trans-80.7102.9161.3-95.8134.4000106.3K407K407-L409 PolarHBondContact O-N 2.71Å; K407-L409 VanDerWaalsContact O-N 3.14Å
410N39.2Very low35.7Very low136 Ų136159.9 Ų159.973%0.72782%0.817SS**  trans-80.6147151.2-78.1-14.3000107.8Q408Q408-N410 PolarHBondContact O-N 2.63Å
411E35Very low34.7Very low266 Ų266165.4 Ų165.4100%1.24385%0.849SS**  trans890-179.9-61.9-177.4167.600116.6

Retrieved 411 of 411 residues in 429.6 ms (Link to these results)