A0A087X7D4_POEFO Loading...

VRK serine/threonine kinase 3

AlphaFold DB , UniProt , Accession A0A087X7D4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 431 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
1M49.4Very low73Confident201 Ų20196.1 Ų96.199%0.9952%0.516SS*.  0135.10-63-176.9-164.500107.8F3 P15M1-F3 PolarHBondContact O-N 3.05Å; M1-P15 HydrophobicContact SD-CG 4.14Å
2P57.3Low74Confident102 Ų10297.5 Ų97.566%0.66251%0.514SS*.PPolyproline II helixtrans-67.2134.3177.328.7-30.5000108.9
3F52.1Low74.7Confident112 Ų11290.5 Ų90.549%0.49148%0.477SS..PPolyproline II helixtrans-68.5135.7171.7-64.9-79000109.2M1 K12M1-F3 PolarHBondContact O-N 3.05Å; F3-K12 HydrophobicContact CB-CG 4.13Å; F3-K12 HydrophobicContact CD1-CD 4.25Å; F3-K12 HydrophobicContact CD1-CG 4.24Å; F3-K12 VanDerWaalsContact CD2-CE 3.44Å; F3-K12 HydrophobicContact CG-CD 4.33Å; F3-K12 HydrophobicContact CG-CG 4.37Å
4H78.4Confident74.9Confident106 Ų10692.4 Ų92.449%0.49148%0.482SS..EExtended strand (participates in β ladder)trans-90.6149.7171.1-68-71.7000109.8L13H4-L13 HydrophobicContact CB-CB 4.34Å; H4-L13 WeakPolarHBondContact O-CB 3.49Å; H4-L13 PolarHBondContact O-N 3.29Å
5F83.4Confident74.4Confident131 Ų13190.1 Ų90.158%0.57548%0.475SS*.EExtended strand (participates in β ladder)trans-114.4142.1174-68.5-88.2000109.2P7 G10 M11 K12F5-P7 WeakPolarHBondContact O-CD 3.38Å; F5-G10 WeakPolarHBondContact CD1-O 3.41Å; F5-M11 CarbonylContact C-O 3.55Å; F5-M11 WeakPolarHBondContact CA-O 3.39Å; F5-K12 HydrophobicContact CD1-CB 4.28Å; F5-K12 HydrophobicContact CE1-CB 4.03Å; F5-K12 HydrophobicContact CE1-CG 4.2Å
6C80.1Confident74.6Confident4 Ų493.9 Ų93.93%0.02750%0.495CS..  trans-62.7123.5174.7179.50000109.1Q8 C9 G10 M11 L13 C20 C23C6-Q8 PolarHBondContact O-N 3.17Å; C6-Q8 VanDerWaalsContact O-N 3.17Å; C6-Q8 PolarHBondContact SG-N 3.49Å; C6-C9 VanDerWaalsContact SG-SG 3.61Å; C6-G10 VanDerWaalsContact O-CA 3.28Å; C6-G10 WeakPolarHBondContact O-CA 3.46Å; C6-G10 PolarHBondContact O-N 3.46Å; C6-M11 HydrophobicContact CB-CB 4.41Å; C6-M11 PolarHBondContact N-O 2.76Å; C6-L13 HydrophobicContact CB-CD1 4.01Å; C6-L13 HydrophobicContact CB-CD2 4.45Å; C6-L13 HydrophobicContact CB-CG 4.4Å; C6-C20 HydrophobicContact CB-CB 4.17Å; C6-C20 VanDerWaalsContact SG-CB 3.59Å; C6-C23 VanDerWaalsContact SG-SG 3.6Å
7P77Confident74.5Confident89 Ų8994.4 Ų94.458%0.57849%0.493SS*.THydrogen-bonded Turntrans-68-16-178.627.3-34.1000113F5 P28F5-P7 WeakPolarHBondContact O-CD 3.38Å; P7-P28 HydrophobicContact CG-CG 4.48Å
8Q78.2Confident74.9Confident139 Ų139100.4 Ų100.465%0.6551%0.508SS*.THydrogen-bonded Turntrans-95-41.1-178-61.1-58.2-2700113.2C6 D25C6-Q8 PolarHBondContact O-N 3.17Å; C6-Q8 VanDerWaalsContact O-N 3.17Å; C6-Q8 PolarHBondContact SG-N 3.49Å; Q8-D25 WeakPolarHBondContact CB-OD2 3.19Å; Q8-D25 HydrophobicContact CG-CB 4.3Å; Q8-D25 WeakPolarHBondContact CG-OD2 3.28Å
9C83.6Confident75.4Confident57 Ų57100.7 Ų100.739%0.38551%0.506SS..THydrogen-bonded Turntrans-123.2-0.2-175.370.50000114.8C6 M11 C23C6-C9 VanDerWaalsContact SG-SG 3.61Å; C9-M11 PolarHBondContact O-N 2.85Å; C9-C23 HydrophobicContact CB-CB 4.14Å
10G81Confident75.7Confident47 Ų4795.8 Ų95.849%0.48548%0.481SS..  trans70.96.7178.400000115.1F5 C6F5-G10 WeakPolarHBondContact CD1-O 3.41Å; C6-G10 VanDerWaalsContact O-CA 3.28Å; C6-G10 WeakPolarHBondContact O-CA 3.46Å; C6-G10 PolarHBondContact O-N 3.46Å
11M82.2Confident75.8Confident69 Ų6993.2 Ų93.234%0.3447%0.471SS..  trans-65.6138.8177.4-166.2-171.8-153.900111.1F5 C6 C9 P21 S22F5-M11 CarbonylContact C-O 3.55Å; F5-M11 WeakPolarHBondContact CA-O 3.39Å; C6-M11 HydrophobicContact CB-CB 4.41Å; C6-M11 PolarHBondContact N-O 2.76Å; C9-M11 PolarHBondContact O-N 2.85Å; M11-P21 HydrophobicContact SD-CG 3.81Å; M11-S22 WeakPolarHBondContact SD-CB 3.48Å
12K85.6Confident76.9Confident113 Ų11387.1 Ų87.149%0.49145%0.448SS..EExtended strand (participates in β ladder)trans-68.5131.9173.3-166.5175.3178.5-178.60110.8F3 F5F3-K12 HydrophobicContact CB-CG 4.13Å; F3-K12 HydrophobicContact CD1-CD 4.25Å; F3-K12 HydrophobicContact CD1-CG 4.24Å; F3-K12 VanDerWaalsContact CD2-CE 3.44Å; F3-K12 HydrophobicContact CG-CD 4.33Å; F3-K12 HydrophobicContact CG-CG 4.37Å; F5-K12 HydrophobicContact CD1-CB 4.28Å; F5-K12 HydrophobicContact CE1-CB 4.03Å; F5-K12 HydrophobicContact CE1-CG 4.2Å
13L83.3Confident78.1Confident7 Ų783.3 Ų83.34%0.03742%0.424CS..EExtended strand (participates in β ladder)trans-119.2147.2-172.3-58.2167.7000111.4H4 C6 C20 P21 L27H4-L13 HydrophobicContact CB-CB 4.34Å; H4-L13 WeakPolarHBondContact O-CB 3.49Å; H4-L13 PolarHBondContact O-N 3.29Å; C6-L13 HydrophobicContact CB-CD1 4.01Å; C6-L13 HydrophobicContact CB-CD2 4.45Å; C6-L13 HydrophobicContact CB-CG 4.4Å; L13-C20 HydrophobicContact CD2-CB 4.36Å; L13-P21 VanDerWaalsContact CD2-CD 3.46Å; L13-P21 HydrophobicContact CD2-CG 4.35Å; L13-L27 HydrophobicContact CD1-CD1 3.57Å; L13-L27 HydrophobicContact CD1-CD2 3.34Å; L13-L27 HydrophobicContact CD1-CG 4.08Å; L13-L27 HydrophobicContact CD2-CD1 4.05Å; L13-L27 HydrophobicContact CG-CD1 4.31Å
14Q78Confident79Confident117 Ų11780 Ų8055%0.54742%0.422SS..  trans-78.9151165.4-66.6-69.4-16.700110.1D16 F17Q14-D16 PolarHBondContact O-N 3.42Å; Q14-D16 VanDerWaalsContact O-N 3.09Å; Q14-F17 HydrophobicContact CB-CD2 3.97Å; Q14-F17 HydrophobicContact CB-CE2 3.93Å; Q14-F17 HydrophobicContact CG-CE2 4.17Å; Q14-F17 PolarHBondContact O-N 2.89Å
15P66.8Low78.9Confident57 Ų5778.6 Ų78.637%0.3742%0.417SS..THydrogen-bonded Turntrans-59.9-22.8-171.3-23.333.5000115.6M1M1-P15 HydrophobicContact SD-CG 4.14Å
16D76.8Confident78.8Confident151 Ų15180.2 Ų80.281%0.80742%0.424SS*.THydrogen-bonded Turntrans-100.82.8-171.1-55.9-37.8000114.2Q14 R18Q14-D16 PolarHBondContact O-N 3.42Å; Q14-D16 VanDerWaalsContact O-N 3.09Å; D16-R18 PolarHBondContact O-N 2.82Å
17F74Confident79Confident102 Ų10281 Ų8145%0.44743%0.428SS..  trans-74123.6178.1-77.4-42000111.4Q14 F19 P21 L27Q14-F17 HydrophobicContact CB-CD2 3.97Å; Q14-F17 HydrophobicContact CB-CE2 3.93Å; Q14-F17 HydrophobicContact CG-CE2 4.17Å; Q14-F17 PolarHBondContact O-N 2.89Å; F17-F19 VanDerWaalsContact C-N 3.34Å; F17-P21 HydrophobicContact CD2-CG 4.35Å; F17-P21 HydrophobicContact CE2-CG 4.1Å; F17-L27 HydrophobicContact CB-CD1 3.7Å; F17-L27 WeakPolarHBondContact O-CD1 3.18Å
18R81.8Confident78.7Confident204 Ų20481.6 Ų81.677%0.7743%0.432SS*.SBendtrans-83.2-12.4169.6-62.4-168.6-175.8-141.11.1113.1D16 L27D16-R18 PolarHBondContact O-N 2.82Å; R18-L27 PolarHBondContact O-N 3.47Å
19F84.5Confident77.9Confident106 Ų10680.3 Ų80.347%0.46544%0.438SS..BIsolated β-bridgetrans-144146.4-179.3-62-91.3000110.5F17 D25 K26 L27F17-F19 VanDerWaalsContact C-N 3.34Å; F19-D25 CarbonylContact C-O 3.56Å; F19-D25 VanDerWaalsContact CA-O 3.22Å; F19-D25 WeakPolarHBondContact CA-O 3.48Å; F19-K26 VanDerWaalsContact CD1-CA 3.43Å; F19-K26 HydrophobicContact CD1-CB 3.83Å; F19-K26 HydrophobicContact CD1-CG 4.15Å; F19-K26 HydrophobicContact CE1-CB 3.6Å; F19-K26 HydrophobicContact CE1-CD 4.26Å; F19-K26 HydrophobicContact CE1-CG 3.69Å; F19-K26 HydrophobicContact CZ-CB 4.47Å; F19-K26 HydrophobicContact CZ-CD 4.41Å; F19-K26 HydrophobicContact CZ-CG 4.08Å; F19-L27 VanDerWaalsContact C-CD1 3.44Å
20C81.4Confident76.4Confident2 Ų282.3 Ų82.31%0.01445%0.453CS..  trans-71.7126.4177.3177.80000110.4C6 L13 S22 C23 G24 D25 L27C6-C20 HydrophobicContact CB-CB 4.17Å; C6-C20 VanDerWaalsContact SG-CB 3.59Å; L13-C20 HydrophobicContact CD2-CB 4.36Å; C20-S22 VanDerWaalsContact C-N 3.26Å; C20-S22 PolarHBondContact O-N 3.36Å; C20-S22 PolarHBondContact SG-N 3.09Å; C20-C23 WeakPolarHBondContact CB-SG 3.22Å; C20-G24 WeakPolarHBondContact O-CA 3.16Å; C20-G24 PolarHBondContact O-N 3.37Å; C20-D25 PolarHBondContact N-O 3.19Å; C20-L27 HydrophobicContact CB-CD2 4.1Å
21P76.6Confident74.6Confident41 Ų4186.1 Ų86.127%0.26647%0.469SS..THydrogen-bonded Turntrans-71.1-18.1-17926-30.3000113.8M11 L13 F17 Q178M11-P21 HydrophobicContact SD-CG 3.81Å; L13-P21 VanDerWaalsContact CD2-CD 3.46Å; L13-P21 HydrophobicContact CD2-CG 4.35Å; F17-P21 HydrophobicContact CD2-CG 4.35Å; F17-P21 HydrophobicContact CE2-CG 4.1Å; P21-Q178 PolarHBondContact O-NE2 3.15Å
22S74.3Confident72.7Confident73 Ų7389.9 Ų89.951%0.5149%0.49SS..THydrogen-bonded Turntrans-88.3-51.6176.7161.70000113.1M11 C20M11-S22 WeakPolarHBondContact SD-CB 3.48Å; C20-S22 VanDerWaalsContact C-N 3.26Å; C20-S22 PolarHBondContact O-N 3.36Å; C20-S22 PolarHBondContact SG-N 3.09Å
23C81.5Confident70.2Confident23 Ų2393.8 Ų93.816%0.15551%0.51CS..THydrogen-bonded Turntrans-97.1-20.5-175.966.80000114.1C6 C9 C20 D25 K182C6-C23 VanDerWaalsContact SG-SG 3.6Å; C9-C23 HydrophobicContact CB-CB 4.14Å; C20-C23 WeakPolarHBondContact CB-SG 3.22Å; C23-D25 VanDerWaalsContact C-N 3.34Å; C23-D25 PolarHBondContact SG-OD2 2.81Å; C23-K182 PolarHBondContact O-NZ 3Å
24G71.7Confident67.8Low43 Ų4398.2 Ų98.244%0.44355%0.548SS..  trans85.3-0.4-178.300000114.8C20C20-G24 WeakPolarHBondContact O-CA 3.16Å; C20-G24 PolarHBondContact O-N 3.37Å
25D76.3Confident65.8Low75 Ų7598.9 Ų98.940%0.40156%0.563SS.*PPolyproline II helixtrans-71.5147.6-178.7-66.7-43.4000112.3Q8 F19 C20 C23 L27Q8-D25 WeakPolarHBondContact CB-OD2 3.19Å; Q8-D25 HydrophobicContact CG-CB 4.3Å; Q8-D25 WeakPolarHBondContact CG-OD2 3.28Å; F19-D25 CarbonylContact C-O 3.56Å; F19-D25 VanDerWaalsContact CA-O 3.22Å; F19-D25 WeakPolarHBondContact CA-O 3.48Å; C20-D25 PolarHBondContact N-O 3.19Å; C23-D25 VanDerWaalsContact C-N 3.34Å; C23-D25 PolarHBondContact SG-OD2 2.81Å; D25-L27 PolarHBondContact O-N 2.87Å
26K81.1Confident64.1Low165 Ų16599.7 Ų99.772%0.71758%0.582SS**BIsolated β-bridgetrans-66.2128.7175.7-166.7177.2179.1-1750109.8F19F19-K26 VanDerWaalsContact CD1-CA 3.43Å; F19-K26 HydrophobicContact CD1-CB 3.83Å; F19-K26 HydrophobicContact CD1-CG 4.15Å; F19-K26 HydrophobicContact CE1-CB 3.6Å; F19-K26 HydrophobicContact CE1-CD 4.26Å; F19-K26 HydrophobicContact CE1-CG 3.69Å; F19-K26 HydrophobicContact CZ-CB 4.47Å; F19-K26 HydrophobicContact CZ-CD 4.41Å; F19-K26 HydrophobicContact CZ-CG 4.08Å
27L82.8Confident61.9Low20 Ų20104.2 Ų104.211%0.10559%0.588CS.*PPolyproline II helixtrans-82142.9178.2-64.9169000109.9L13 F17 R18 F19 C20 D25 S29L13-L27 HydrophobicContact CD1-CD1 3.57Å; L13-L27 HydrophobicContact CD1-CD2 3.34Å; L13-L27 HydrophobicContact CD1-CG 4.08Å; L13-L27 HydrophobicContact CD2-CD1 4.05Å; L13-L27 HydrophobicContact CG-CD1 4.31Å; F17-L27 HydrophobicContact CB-CD1 3.7Å; F17-L27 WeakPolarHBondContact O-CD1 3.18Å; R18-L27 PolarHBondContact O-N 3.47Å; F19-L27 VanDerWaalsContact C-CD1 3.44Å; C20-L27 HydrophobicContact CB-CD2 4.1Å; D25-L27 PolarHBondContact O-N 2.87Å; L27-S29 PolarHBondContact O-N 3.32Å
28P72.3Confident59.8Low103 Ų103109.2 Ų109.267%0.66961%0.609SS**PPolyproline II helixtrans-59.7126.4176.5-17.329.1000109.9P7P7-P28 HydrophobicContact CG-CG 4.48Å
29S60.7Low57.3Low111 Ų111105.8 Ų105.878%0.77661%0.611SS**PPolyproline II helixtrans-70.9135.4171.347.20000109.6L27L27-S29 PolarHBondContact O-N 3.32Å
30S52.6Low55Low99 Ų99106.1 Ų106.169%0.69262%0.624SS**PPolyproline II helixtrans-55.1135.3177.849.10000111.7D32S30-D32 VanDerWaalsContact C-N 3.29Å; S30-D32 PolarHBondContact O-N 3.28Å
31P42.9Very low52.5Low127 Ų127111.5 Ų111.583%0.82566%0.662SS**SBendtrans-83.573.8176.234.6-32.2000109.7
32D42.3Very low50.7Low148 Ų148114.9 Ų114.979%0.79168%0.683SS**  trans-147.276.5168.3-94.2-36.1000109.6S30S30-D32 VanDerWaalsContact C-N 3.29Å; S30-D32 PolarHBondContact O-N 3.28Å
33E33.2Very low48.5Very low195 Ų195119.6 Ų119.691%0.91170%0.702SS**  trans-168.186.4150.5-110.3-179.2173.700108.2
34A32.1Very low46Very low101 Ų101123.6 Ų123.684%0.83573%0.73SS**  trans-106.8123.5166.200000108.8
35P36.2Very low44.4Very low130 Ų130127.1 Ų127.184%0.84475%0.745SS**  trans-96.4113.6161.429.1-18.8000110.4
36G31.8Very low42.2Very low75 Ų75134.8 Ų134.877%0.77377%0.769SS**  75.192.2126.500000119.1
37R30.3Very low39.6Very low246 Ų246132.3 Ų132.393%0.92877%0.772SS**  trans-53126.8159-160.1179.3-166.6-166.34111.8
38K28.7Very low37Very low207 Ų207136.4 Ų136.490%0.980%0.802SS**  trans-133.9134153.5-75-169.9-180179.70110.3
39T31Very low34.9Very low132 Ų132139.8 Ų139.881%0.8181%0.814SS**  trans-74.3168.1-171.231.10000114.7
40P34.7Very low33.4Very low112 Ų112144.8 Ų144.873%0.72782%0.816SS**  trans-100.3149.7-168.737.3-31.6000116.7
41S30Very low32.2Very low116 Ų116150.2 Ų150.281%0.81182%0.821SS**  trans71.5154.9147.2-56.70000119.5
42P38.8Very low31.4Very low111 Ų111150.4 Ų150.472%0.72182%0.82SS**  cis-147.1161.734.340.3-18.3000121
43L28.1Very low30.8Very low172 Ų172154.1 Ų154.190%0.90182%0.823SS**  trans57.7143.2141.9-67.3162.9000124.2
44S29.1Very low30.5Very low107 Ų107154.9 Ų154.975%0.74882%0.823SS**  trans-80.2179.2-170.2-31.70000115.1
45P37.7Very low30.2Very low118 Ų118155.1 Ų155.177%0.76681%0.814SS**  -152.41517136.6-13.9000119.9
46R28.9Very low29.7Very low236 Ų236156 Ų15689%0.89181%0.811SS**  trans39.5128.6139.3-69.1-177.5170-156.4-1.4123.3
47S27.8Very low29.5Very low112 Ų112161.2 Ų161.278%0.78382%0.815SS**  -172.1115.2114490000108.8
48S27.2Very low29.3Very low107 Ų107158.5 Ų158.575%0.74881%0.813SS**  62.4109.782.8-62.70000115.7
49L29.8Very low29.1Very low173 Ų173158 Ų15891%0.90681%0.814SS**  trans163.591.7142.3-87.6159.9000106.9
50R27.4Very low28.9Very low216 Ų216158.3 Ų158.382%0.81582%0.816SS**  51.9114.676.9-121.7-173.1-166.8-167.74.9116.2
51R27.4Very low29Very low214 Ų214158.7 Ų158.781%0.80882%0.818SS**  trans72138.6146.3-96.3178.1173.6-173.9-3.2115.9
52T27Very low28.8Very low130 Ų130158.1 Ų158.180%0.79882%0.821SS**  cis-154.3151.539.529.10000114.2
53R28.9Very low28.2Very low227 Ų227162.4 Ų162.486%0.85783%0.828SS**  trans-71.7145.9167.4-151.7-179.9-167.7170.31.3111
54K26.9Very low28.4Very low211 Ų211160.2 Ų160.292%0.91782%0.824SS**  trans-155.6108.7143.5-108.9-176.8-178.6-173.70111
55T26.5Very low28.2Very low106 Ų106159.8 Ų159.865%0.6583%0.827SS**  trans-57.8163.9146.440.30000109.7
56L26.6Very low27.5Very low147 Ų147162.8 Ų162.877%0.7783%0.831SS**  cis-163.1159.524.7-15385.7000104.4
57E26.4Very low27.5Very low185 Ų185157.7 Ų157.786%0.86483%0.828SS**  177.414499.9-91174161.200110.4
58Q26.6Very low27.3Very low190 Ų190157.1 Ų157.189%0.88882%0.824SS**  trans-86.7148.6168.3-72.8171.3-57.300109.8
59E25.1Very low27.3Very low197 Ų197157.5 Ų157.592%0.92183%0.827SS**  trans-163.3136.5145.6-110.1174.7-164.700111.5
60T26.6Very low27.1Very low137 Ų137154.5 Ų154.584%0.8482%0.82SS**  trans-137.6169.8164.326.70000106.2
61P37.2Very low27.3Very low121 Ų121149.9 Ų149.979%0.78682%0.819SS**  cis-132.5171.4-12.935.5-17.7000113.7
62A24.5Very low27.3Very low104 Ų104146.2 Ų146.286%0.8682%0.82SS**  trans-167132.5149.200000114.1
63K26.6Very low27.3Very low201 Ų201149.2 Ų149.287%0.87482%0.822SS**  trans-102.3155.1154.4-106.9-174.3-178.7-176.40106.5
64P32.6Very low27.2Very low125 Ų125144.5 Ų144.581%0.81282%0.821SS**  -156.6178.576.638.8-17.1000117.5
65A24.2Very low27.2Very low99 Ų99140.6 Ų140.682%0.81881%0.814SS**  trans113.1122.1147.400000119.2
66E24.6Very low27.1Very low181 Ų181147.3 Ų147.385%0.84683%0.828SS**  trans-72.2174.4161.1-59.1-178.5145.500111.6
67P28.9Very low27Very low128 Ų128143.6 Ų143.683%0.83183%0.825SS**  -141.7164.29534.4-17.3000116.4
68S23.6Very low27Very low100 Ų100145.4 Ų145.470%0.69983%0.83SS**  trans-61.2154.9175.557.30000117.5
69S26.7Very low26.9Very low116 Ų116139.9 Ų139.981%0.81182%0.824SS**  165.5133.3113.160.80000114
70S25.2Very low26.8Very low109 Ų109139.9 Ų139.976%0.76282%0.821SS**  trans-71.9168.1164.7-42.30000112.7
71P31.5Very low26.7Very low120 Ų120140.2 Ų140.278%0.77982%0.817SS**  -145.1137.4102.230.3-11000113.9
72V26.8Very low26.2Very low137 Ų137139.7 Ų139.783%0.8382%0.816SS**  64.6118.594.3-174.10000116
73F26.8Very low26.1Very low192 Ų192140 Ų14084%0.84281%0.812SS**  trans-62170.8172.2-75.4-89.8000115
74P27.8Very low26.6Very low128 Ų128135.8 Ų135.883%0.83181%0.805SS**  -126.9150.4126.534.9-24.7000114.7
75V25.6Very low26.3Very low130 Ų130135.6 Ų135.679%0.78880%0.801SS**  trans-93.7142.4179168.60000110.5
76R25.6Very low26.2Very low247 Ų247139.3 Ų139.393%0.93280%0.799SS**  trans158138.8139.4-95.4174.4169.6-172.3-2.5108.8
77G24.9Very low26.2Very low69 Ų69136.5 Ų136.571%0.71179%0.79SS**  cis170.7154.1-0.900000110.7
78K25.2Very low26Very low223 Ų223138.4 Ų138.497%0.9779%0.787SS**  trans53.6128.4147-65-174.2175.1-178.60121.8
79G24.8Very low26Very low74 Ų74138.1 Ų138.176%0.76379%0.792SS**  trans146.979.2149.200000112.3
80K24Very low25.9Very low196 Ų196137.4 Ų137.485%0.85279%0.793SS**  52.9118.996.6-91.8-166.6171.8-173.30116.9
81L24.1Very low25.8Very low145 Ų145136.7 Ų136.776%0.75979%0.793SS**  trans87.9129.2141.8-91.585000122.3
82S25.2Very low25.4Very low110 Ų110135.2 Ų135.277%0.76979%0.791SS**  trans91.1108.5135.269.90000120.1
83S23.4Very low25.3Very low111 Ų111135.8 Ų135.878%0.77680%0.795SS**  trans-69.9178.1141.455.60000110.7
84P37.5Very low25.3Very low112 Ų112130.2 Ų130.273%0.72779%0.791SS**  cis-134.2-174.90.927.1-2.5000113.6
85V25.3Very low25.2Very low120 Ų120135.3 Ų135.373%0.72779%0.794SS**  trans140112.3134.51750000113.8
86K23.5Very low25.1Very low178 Ų178136 Ų13677%0.77480%0.799SS**  trans44.8132.7135-60.5-178174.8-177.90122.9
87N24.5Very low25.2Very low121 Ų121128.6 Ų128.665%0.64779%0.79SS**  86.5126.3126.8-80.823.5000121.6
88E23.8Very low25.2Very low168 Ų168130.7 Ų130.779%0.78579%0.794SS**  trans84.4107.2131.9-73.8171.3142.500120
89A23.6Very low25.3Very low95 Ų95127.3 Ų127.379%0.78579%0.787SS**  78.5126.4114.100000120.4
90A23.9Very low25.5Very low101 Ų101132.8 Ų132.884%0.83579%0.792SS**  trans98.8136.9131.800000119.9
91A23.9Very low25.6Very low93 Ų93129.3 Ų129.377%0.76979%0.787SS**  trans85.991.814700000119.3
92A24.2Very low25.7Very low90 Ų90127.2 Ų127.274%0.74479%0.791SS**  70138104.900000121.8
93V24.7Very low25.7Very low149 Ų149128.1 Ų128.190%0.90379%0.793SS**  trans88.1116.8150.4-1610000118.1
94G25.7Very low26Very low75 Ų75131.8 Ų131.877%0.77380%0.797SS**  trans175.492.615800000111.8
95R25.9Very low25.5Very low235 Ų235135.2 Ų135.289%0.88780%0.804SS**  trans-76.9165172.5-77-179.8174.6-172.2-1.6111.4
96T23.8Very low25.6Very low144 Ų144133.7 Ų133.788%0.88380%0.798SS**  trans90133.6168.472.50000113.9
97A26.9Very low26Very low91 Ų91134.6 Ų134.675%0.75280%0.802SS**  cis-150.3165.319.700000112
98S26.3Very low26.3Very low113 Ų113134.6 Ų134.679%0.7981%0.807SS**  trans-33.5136.1169.747.60000117.7
99D25.6Very low27.3Very low153 Ų153132.8 Ų132.882%0.81880%0.798SS**  trans-143.4116.6140.6-138.9-4.7000109.5T101D99-T101 PolarHBondContact O-N 2.91Å
100E29Very low28Very low188 Ų188139.9 Ų139.988%0.87981%0.805SS**  trans-74.1112.2173.4-73.3-179.1145.700108.3
101T26.9Very low28.8Very low123 Ų123139.3 Ų139.376%0.75580%0.795SS**  trans-130.6128.7159.241.50000109.3D99 T103D99-T101 PolarHBondContact O-N 2.91Å; T101-T103 PolarHBondContact O-N 3.27Å
102A26.7Very low29.9Very low102 Ų102139 Ų13984%0.84378%0.783SS**  trans-50.2121.4-171.400000112.3E104A102-E104 PolarHBondContact O-N 2.89Å; A102-E104 VanDerWaalsContact O-N 3.16Å
103T25Very low31.1Very low129 Ų129139.1 Ų139.179%0.79178%0.778SS**  trans-66.9107.2167.943.40000109.1T101 E105T101-T103 PolarHBondContact O-N 3.27Å; T103-E105 PolarHBondContact O-N 3.1Å; T103-E105 VanDerWaalsContact O-N 3.15Å
104E28.7Very low32.6Very low187 Ų187133.4 Ų133.487%0.87474%0.741SS**  trans-57.6112.3153.7-79.9-177.514800107.4A102 S106A102-E104 PolarHBondContact O-N 2.89Å; A102-E104 VanDerWaalsContact O-N 3.16Å; E104-S106 VanDerWaalsContact C-N 3.29Å; E104-S106 PolarHBondContact O-N 3.14Å
105E26.6Very low34.4Very low185 Ų185136.2 Ų136.286%0.86473%0.732SS**  trans-61.194.5170.7-72.6-179.7155.900108.6T103 K107T103-E105 PolarHBondContact O-N 3.1Å; T103-E105 VanDerWaalsContact O-N 3.15Å; E105-K107 PolarHBondContact O-N 3.41Å
106S29.3Very low37Very low88 Ų88133.1 Ų133.162%0.61573%0.728SS**  trans-57.7123.4158.959.80000106.8E104 T108E104-S106 VanDerWaalsContact C-N 3.29Å; E104-S106 PolarHBondContact O-N 3.14Å; S106-T108 PolarHBondContact O-N 2.98Å; S106-T108 PolarHBondContact O-OG1 2.85Å
107K31.1Very low40.2Very low196 Ų196128.6 Ų128.685%0.85270%0.701SS**  trans-63.381.2164.7-77.5179.2176.5174.40107.2E105 E109E105-K107 PolarHBondContact O-N 3.41Å; K107-E109 PolarHBondContact O-N 3.4Å
108T31.1Very low43.3Very low121 Ų121125.3 Ų125.374%0.74267%0.67SS**  trans-61125169.32.30000105.6S106 R110S106-T108 PolarHBondContact O-N 2.98Å; S106-T108 PolarHBondContact O-OG1 2.85Å; T108-R110 PolarHBondContact O-N 3.38Å
109E43.7Very low46.6Very low130 Ų130123.8 Ų123.861%0.60766%0.658SS**  trans-44.7135.9171.6-70.3177.3143.500108.9K107 S111 R169K107-E109 PolarHBondContact O-N 3.4Å; E109-S111 PolarHBondContact O-N 2.98Å; E109-R169 IonicContact OE1-NH2 3.27Å
110R37.9Very low49.9Very low245 Ų245122.4 Ų122.493%0.92565%0.647SS**  trans-64.881.8145.4-80.9-179.5176.1171.4-1.7105.4T108 V112T108-R110 PolarHBondContact O-N 3.38Å; R110-V112 VanDerWaalsContact C-N 3.31Å; R110-V112 PolarHBondContact O-N 3.02Å
111S41.6Very low53Low89 Ų89115 Ų11562%0.62262%0.62SS**  trans-56.3102.8165.21640000105.4E109 S113E109-S111 PolarHBondContact O-N 2.98Å; S111-S113 PolarHBondContact O-N 2.9Å
112V46.5Very low56.2Low87 Ų87112.5 Ų112.553%0.52760%0.6SS.*  trans-72.485.7169-178.80000104.6R110 F114 A165R110-V112 VanDerWaalsContact C-N 3.31Å; R110-V112 PolarHBondContact O-N 3.02Å; V112-F114 PolarHBondContact O-N 2.85Å; V112-A165 HydrophobicContact CB-CB 4.38Å; V112-A165 HydrophobicContact CG1-CB 3.76Å
113S49.6Very low59.5Low91 Ų91112.5 Ų112.564%0.63658%0.583SS**PPolyproline II helixtrans-50.7124175.2175.70000108.7S111 K115S111-S113 PolarHBondContact O-N 2.9Å; S113-K115 PolarHBondContact O-N 3.46Å
114F57.2Low63Low30 Ų30106.3 Ų106.313%0.13255%0.545CS..PPolyproline II helixtrans-60.2130.4171.6-154.3-85.4000108.5V112 L145 L163 Y213V112-F114 PolarHBondContact O-N 2.85Å; F114-L145 HydrophobicContact CD1-CD1 4.05Å; F114-L145 HydrophobicContact CD1-CD2 4.48Å; F114-L145 HydrophobicContact CD1-CG 4.04Å; F114-L145 HydrophobicContact CE1-CD1 3.19Å; F114-L145 HydrophobicContact CE1-CD2 4.28Å; F114-L145 HydrophobicContact CE1-CG 3.42Å; F114-L145 VanDerWaalsContact CE1-CG 3.42Å; F114-L145 HydrophobicContact CZ-CB 4.46Å; F114-L145 HydrophobicContact CZ-CD1 3.71Å; F114-L145 HydrophobicContact CZ-CG 3.69Å; F114-L163 WeakPolarHBondContact CE2-O 3.05Å; F114-L163 HydrophobicContact CZ-CB 4.42Å; F114-L163 HydrophobicContact CZ-CD2 3.93Å; F114-L163 HydrophobicContact CZ-CG 3.97Å; F114-Y213 HydrophobicContact CD1-CE1 4.47Å; F114-Y213 HydrophobicContact CE1-CD1 4.3Å; F114-Y213 AromaticContact CE1-CE1 3.7Å; F114-Y213 HydrophobicContact CE1-CE1 3.7Å; F114-Y213 AromaticContact CE2-CD1 3.97Å; F114-Y213 HydrophobicContact CE2-CD1 3.97Å; F114-Y213 HydrophobicContact CE2-CE1 4.08Å; F114-Y213 AromaticContact CZ-CD1 3.63Å; F114-Y213 HydrophobicContact CZ-CD1 3.63Å; F114-Y213 AromaticContact CZ-CE1 3.5Å; F114-Y213 HydrophobicContact CZ-CE1 3.5Å
115K62.5Low66.2Low133 Ų133100.9 Ų100.958%0.57853%0.525SS*.PPolyproline II helixtrans-82.5151.1171.5-75.3-175.5178.1-176.40108.7S113 Y213S113-K115 PolarHBondContact O-N 3.46Å; K115-Y213 WeakPolarHBondContact CB-OH 3.39Å
116E80.1Confident69.5Low170 Ų17092.5 Ų92.579%0.79449%0.486SS*.  trans-29.6147.6-178.2-66.1173.1174.100115.9L118E116-L118 PolarHBondContact O-N 3.15Å
117P90.9Very high72.7Confident49 Ų4992.7 Ų92.732%0.31848%0.477SS..PPolyproline II helixtrans-48135.6174.9-27.335.1000113.2L137 L145 Y147P117-L137 HydrophobicContact CB-CD2 4.26Å; P117-L137 HydrophobicContact CG-CD2 4.23Å; P117-L145 HydrophobicContact CB-CD1 3.97Å; P117-L145 HydrophobicContact CG-CD1 4.21Å; P117-L145 HydrophobicContact CG-CD2 4.46Å; P117-Y147 WeakPolarHBondContact CA-OH 3.44Å; P117-Y147 WeakPolarHBondContact CB-OH 3.42Å
118L93.4Very high75.7Confident22 Ų2290.8 Ų90.812%0.11548%0.475CS..PPolyproline II helixtrans-63.7141.7168.7-62.6-176.9000109.4E116 L124 L134 Y147 L163 Y213E116-L118 PolarHBondContact O-N 3.15Å; L118-L124 HydrophobicContact CD1-CD2 4.45Å; L118-L134 HydrophobicContact CB-CD1 3.59Å; L118-L134 HydrophobicContact CD1-CD1 4.25Å; L118-Y147 PolarHBondContact N-OH 3.27Å; L118-Y147 PolarHBondContact O-OH 2.94Å; L118-L163 HydrophobicContact CD1-CD2 3.51Å; L118-L163 HydrophobicContact CG-CD2 3.83Å; L118-Y213 HydrophobicContact CD2-CE2 3.9Å
119P94.9Very high78.7Confident82 Ų8287.5 Ų87.553%0.53247%0.466SS..PPolyproline II helixtrans-67.4146.5-178.327.7-33.9000111.5G121 E122P119-G121 PolarHBondContact O-N 3.36Å; P119-E122 HydrophobicContact CG-CB 4.39Å; P119-E122 VanDerWaalsContact O-CB 3.24Å; P119-E122 WeakPolarHBondContact O-CB 3.27Å; P119-E122 PolarHBondContact O-N 2.65Å
120E94.9Very high81.1Confident124 Ų12484.6 Ų84.658%0.57945%0.451SS*.THydrogen-bonded Turntrans-57.7138.4168.8-65.8178-179.700110.1I135 K136E120-I135 VanDerWaalsContact CD-O 3.28Å; E120-I135 WeakPolarHBondContact CG-O 3.29Å; E120-K136 WeakPolarHBondContact OE1-CA 3.37Å
121G93.6Very high83.9Confident31 Ų3174.8 Ų74.832%0.3242%0.418SS..THydrogen-bonded Turntrans92.6-13.1-173.500000115.4P119 L134P119-G121 PolarHBondContact O-N 3.36Å; G121-L134 WeakPolarHBondContact CA-O 3.21Å; G121-L134 PolarHBondContact N-O 3.45Å
122E95.8Very high86.5Confident71 Ų7170.6 Ų70.633%0.33239%0.389SS..  trans-58.1144.5172.4-173.160.2-145.400110.7P119 L124 K133 L134 H209P119-E122 HydrophobicContact CG-CB 4.39Å; P119-E122 VanDerWaalsContact O-CB 3.24Å; P119-E122 WeakPolarHBondContact O-CB 3.27Å; P119-E122 PolarHBondContact O-N 2.65Å; E122-L124 HydrophobicContact CG-CD1 4.24Å; E122-K133 WeakPolarHBondContact O-CA 3.46Å; E122-L134 HydrophobicContact CB-CD1 3.98Å; E122-L134 HydrophobicContact CB-CG 4.28Å; E122-L134 PolarHBondContact O-N 3.28Å; E122-H209 IonicContact OE1-CE1 3.65Å; E122-H209 PolarHBondContact OE1-CE1 3.16Å; E122-H209 VanDerWaalsContact OE1-CE1 3.27Å; E122-H209 IonicContact OE1-NE2 3.27Å
123Q96.1Very high88.9Confident102 Ų10270.4 Ų70.448%0.47738%0.381SS..EExtended strand (participates in β ladder)trans-115.8125.2-176.5-71.9-178.658.900111.3T131 W132 K133Q123-T131 HydrophobicContact CB-CG2 3.84Å; Q123-T131 HydrophobicContact CG-CG2 4.2Å; Q123-W132 CarbonylContact C-O 3.38Å; Q123-W132 WeakPolarHBondContact CA-O 3.32Å; Q123-K133 HydrophobicContact CG-CB 4.3Å; Q123-K133 HydrophobicContact CG-CG 4.35Å
124L96.6Very high91.1Very high0 Ų066.1 Ų66.10%035%0.351CS..EExtended strand (participates in β ladder)trans-111.5133.2179.1-66.882.6000109.2L118 E122 T131 W132 L134 L161 L163 H209 F215L118-L124 HydrophobicContact CD1-CD2 4.45Å; E122-L124 HydrophobicContact CG-CD1 4.24Å; L124-T131 CarbonylContact O-C 3.56Å; L124-T131 WeakPolarHBondContact O-CA 3.33Å; L124-W132 PolarHBondContact N-O 3.19Å; L124-W132 PolarHBondContact O-N 3.36Å; L124-L134 HydrophobicContact CD1-CD1 4.03Å; L124-L134 HydrophobicContact CD1-CD2 3.72Å; L124-L134 HydrophobicContact CD1-CG 3.69Å; L124-L161 HydrophobicContact CD1-CD1 4.45Å; L124-L161 HydrophobicContact CD2-CD1 3.94Å; L124-L163 HydrophobicContact CD2-CD1 4.08Å; L124-H209 HydrophobicContact CD2-CB 3.71Å; L124-H209 HydrophobicContact CG-CB 4.11Å; L124-F215 HydrophobicContact CB-CD1 4.48Å; L124-F215 HydrophobicContact CB-CE1 4.04Å; L124-F215 HydrophobicContact CB-CE2 4.47Å; L124-F215 HydrophobicContact CB-CZ 4.02Å; L124-F215 HydrophobicContact CD2-CB 4.32Å; L124-F215 HydrophobicContact CD2-CD1 3.73Å; L124-F215 HydrophobicContact CD2-CE1 4.11Å; L124-F215 HydrophobicContact CD2-CG 3.99Å
125T97.1Very high92.9Very high73 Ų7367.6 Ų67.645%0.44836%0.359SS..EExtended strand (participates in β ladder)trans-107.5124.1177.5-56.10000109.8K130 T131 F215T125-K130 CarbonylContact C-O 3.4Å; T125-K130 WeakPolarHBondContact CA-O 3.3Å; T125-T131 PolarHBondContact OG1-OG1 2.75Å; T125-F215 WeakPolarHBondContact O-CZ 3.36Å
126D96.5Very high94.5Very high9 Ų966.7 Ų66.75%0.04836%0.356CS..  trans-77.1174.1179.270.527.3000112.6L128 G129 K130 W132 F206 F215D126-L128 PolarHBondContact O-N 3.41Å; D126-L128 VanDerWaalsContact O-N 3.1Å; D126-L128 WeakPolarHBondContact OD1-CA 3.13Å; D126-L128 WeakPolarHBondContact OD1-CB 2.89Å; D126-L128 PolarHBondContact OD1-N 2.96Å; D126-G129 PolarHBondContact O-N 3.36Å; D126-G129 PolarHBondContact OD1-N 2.69Å; D126-G129 VanDerWaalsContact OD1-N 3.14Å; D126-K130 PolarHBondContact N-O 3.27Å; D126-K130 PolarHBondContact OD1-N 2.82Å; D126-K130 WeakPolarHBondContact OD2-CB 3.09Å; D126-W132 PolarHBondContact OD2-NE1 3.13Å; D126-F206 WeakPolarHBondContact CB-O 3.36Å; D126-F215 HydrophobicContact CB-CE2 4.07Å; D126-F215 HydrophobicContact CB-CZ 4.05Å
127Q94.9Very high95.2Very high92 Ų9261.1 Ų61.143%0.4333%0.331SS..THydrogen-bonded Turntrans-63.4-15.4-178.8-70-168.3-1.700114.5F206Q127-F206 HydrophobicContact CG-CD2 4.3Å; Q127-F206 HydrophobicContact CG-CE2 4.09Å; Q127-F206 WeakPolarHBondContact CG-O 3.45Å; Q127-F206 PolarHBondContact N-O 3.12Å; Q127-F206 VanDerWaalsContact OE1-CZ 3.29Å
128L94.3Very high95.2Very high155 Ų15562.8 Ų62.881%0.81234%0.336SS*.THydrogen-bonded Turntrans-952.3176.6-58.7-179.4000112.1D126 K130D126-L128 PolarHBondContact O-N 3.41Å; D126-L128 VanDerWaalsContact O-N 3.1Å; D126-L128 WeakPolarHBondContact OD1-CA 3.13Å; D126-L128 WeakPolarHBondContact OD1-CB 2.89Å; D126-L128 PolarHBondContact OD1-N 2.96Å; L128-K130 VanDerWaalsContact C-N 3.33Å
129G94.6Very high95Very high53 Ų5365.7 Ų65.755%0.54635%0.352SS..SBendtrans82.38.9-179.800000113.8D126D126-G129 PolarHBondContact O-N 3.36Å; D126-G129 PolarHBondContact OD1-N 2.69Å; D126-G129 VanDerWaalsContact OD1-N 3.14Å
130K95.2Very high94.7Very high69 Ų6966.8 Ų66.830%0.335%0.35SS..  trans-84.2134.5176.4176.8-177.6-176.8-174.50109.6T125 D126 L128 W132T125-K130 CarbonylContact C-O 3.4Å; T125-K130 WeakPolarHBondContact CA-O 3.3Å; D126-K130 PolarHBondContact N-O 3.27Å; D126-K130 PolarHBondContact OD1-N 2.82Å; D126-K130 WeakPolarHBondContact OD2-CB 3.09Å; L128-K130 VanDerWaalsContact C-N 3.33Å; K130-W132 HydrophobicContact CD-CH2 4.23Å; K130-W132 HydrophobicContact CD-CZ2 3.51Å; K130-W132 HydrophobicContact CG-CZ2 4.25Å
131T96.3Very high94Very high39 Ų3963.5 Ų63.524%0.23934%0.336CS..EExtended strand (participates in β ladder)trans-97.9141.2-177.7-56.40000111.3Q123 L124 T125 P152Q123-T131 HydrophobicContact CB-CG2 3.84Å; Q123-T131 HydrophobicContact CG-CG2 4.2Å; L124-T131 CarbonylContact O-C 3.56Å; L124-T131 WeakPolarHBondContact O-CA 3.33Å; T125-T131 PolarHBondContact OG1-OG1 2.75Å; T131-P152 HydrophobicContact CG2-CG 3.8Å; T131-P152 WeakPolarHBondContact O-CD 3.48Å
132W96.6Very high93.1Very high0 Ų069.9 Ų69.90%036%0.36CS..EExtended strand (participates in β ladder)trans-129.2125.9-178.2-58.493.6000108.7Q123 L124 D126 K130 V149 Q151 H159 V204 I217Q123-W132 CarbonylContact C-O 3.38Å; Q123-W132 WeakPolarHBondContact CA-O 3.32Å; L124-W132 PolarHBondContact N-O 3.19Å; L124-W132 PolarHBondContact O-N 3.36Å; D126-W132 PolarHBondContact OD2-NE1 3.13Å; K130-W132 HydrophobicContact CD-CH2 4.23Å; K130-W132 HydrophobicContact CD-CZ2 3.51Å; K130-W132 HydrophobicContact CG-CZ2 4.25Å; W132-V149 HydrophobicContact CE3-CG2 4.01Å; W132-Q151 HydrophobicContact CE3-CG 4.22Å; W132-Q151 HydrophobicContact CZ3-CG 4.05Å; W132-H159 AromaticContact CH2-CD2 3.59Å; W132-H159 AromaticContact CH2-CG 3.96Å; W132-H159 AromaticContact CH2-NE2 3.72Å; W132-H159 HydrophobicContact CZ3-CB 3.92Å; W132-H159 AromaticContact CZ3-CD2 3.66Å; W132-H159 AromaticContact CZ3-CG 3.52Å; W132-H159 AromaticContact CZ3-ND1 3.77Å; W132-V204 HydrophobicContact CH2-CG2 4.12Å; W132-V204 HydrophobicContact CZ2-CG2 4.35Å; W132-I217 HydrophobicContact CB-CD1 4.32Å; W132-I217 HydrophobicContact CD2-CD1 4.09Å; W132-I217 HydrophobicContact CD2-CG1 4.12Å; W132-I217 HydrophobicContact CD2-CG2 4.1Å; W132-I217 HydrophobicContact CE3-CG2 4.01Å; W132-I217 HydrophobicContact CG-CD1 3.93Å; W132-I217 HydrophobicContact CG-CG1 4.22Å; W132-I217 HydrophobicContact CH2-CG2 3.59Å; W132-I217 HydrophobicContact CZ2-CB 4.25Å; W132-I217 HydrophobicContact CZ2-CG1 4.27Å; W132-I217 HydrophobicContact CZ2-CG2 3.72Å; W132-I217 HydrophobicContact CZ3-CG2 3.78Å
133K96.3Very high92.4Very high84 Ų8471 Ų7137%0.36537%0.367SS..EExtended strand (participates in β ladder)trans-98.5130178.9-175.8-176.9175.9-172.80109.5E122 Q123 I135 V149 A150E122-K133 WeakPolarHBondContact O-CA 3.46Å; Q123-K133 HydrophobicContact CG-CB 4.3Å; Q123-K133 HydrophobicContact CG-CG 4.35Å; K133-I135 HydrophobicContact CD-CD1 4.23Å; K133-I135 HydrophobicContact CG-CD1 4.29Å; K133-I135 PolarHBondContact O-N 3.02Å; K133-V149 VanDerWaalsContact O-CA 3.28Å; K133-V149 WeakPolarHBondContact O-CA 3.39Å; K133-V149 WeakPolarHBondContact O-CB 3.42Å; K133-A150 PolarHBondContact N-O 2.94Å; K133-A150 PolarHBondContact O-N 2.95Å; K133-A150 VanDerWaalsContact O-N 3.1Å
134L96.1Very high92Very high1 Ų167 Ų671%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-67.4123.2172.1-57.5-171.5000109.7L118 G121 E122 L124 Y147 V149 L161L118-L134 HydrophobicContact CB-CD1 3.59Å; L118-L134 HydrophobicContact CD1-CD1 4.25Å; G121-L134 WeakPolarHBondContact CA-O 3.21Å; G121-L134 PolarHBondContact N-O 3.45Å; E122-L134 HydrophobicContact CB-CD1 3.98Å; E122-L134 HydrophobicContact CB-CG 4.28Å; E122-L134 PolarHBondContact O-N 3.28Å; L124-L134 HydrophobicContact CD1-CD1 4.03Å; L124-L134 HydrophobicContact CD1-CD2 3.72Å; L124-L134 HydrophobicContact CD1-CG 3.69Å; L134-Y147 HydrophobicContact CB-CD1 4.19Å; L134-Y147 HydrophobicContact CD1-CD1 4.04Å; L134-Y147 HydrophobicContact CD1-CE1 3.87Å; L134-Y147 HydrophobicContact CD1-CE2 4.4Å; L134-Y147 HydrophobicContact CD1-CG 4.37Å; L134-Y147 HydrophobicContact CD2-CD1 4.19Å; L134-Y147 HydrophobicContact CD2-CD2 4.33Å; L134-Y147 HydrophobicContact CD2-CG 3.92Å; L134-Y147 HydrophobicContact CG-CD1 4.37Å; L134-V149 HydrophobicContact CD2-CG1 3.67Å; L134-L161 HydrophobicContact CD2-CD1 3.92Å; L134-L161 HydrophobicContact CD2-CD2 4.42Å
135I95.4Very high91.8Very high60 Ų6067 Ų6731%0.30835%0.348SS..EExtended strand (participates in β ladder)trans-100.8-51.2-179.7-59.7-56000110.5E120 K133 E148 A150 A157E120-I135 VanDerWaalsContact CD-O 3.28Å; E120-I135 WeakPolarHBondContact CG-O 3.29Å; K133-I135 HydrophobicContact CD-CD1 4.23Å; K133-I135 HydrophobicContact CG-CD1 4.29Å; K133-I135 PolarHBondContact O-N 3.02Å; I135-E148 HydrophobicContact CB-CB 4.44Å; I135-E148 HydrophobicContact CB-CG 4.45Å; I135-E148 WeakPolarHBondContact CB-O 3.41Å; I135-E148 PolarHBondContact N-O 2.98Å; I135-A150 HydrophobicContact CD1-CB 3.99Å; I135-A150 HydrophobicContact CG1-CB 3.86Å; I135-A157 HydrophobicContact CG1-CB 4.11Å
136K94.6Very high91.7Very high115 Ų11564 Ų6450%0.533%0.33SS..EExtended strand (participates in β ladder)trans-151.1139.7-175.1-177.4-177.6172.9-169.80110.8E120 I138 Y147 E148E120-K136 WeakPolarHBondContact OE1-CA 3.37Å; K136-I138 PolarHBondContact O-N 2.97Å; K136-Y147 CarbonylContact O-C 3.42Å; K136-Y147 VanDerWaalsContact O-CA 3.23Å; K136-Y147 WeakPolarHBondContact O-CA 3.23Å; K136-E148 HydrophobicContact CB-CB 4.11Å; K136-E148 PolarHBondContact N-O 3.1Å; K136-E148 PolarHBondContact O-N 2.87Å
137L94.4Very high91.7Very high52 Ų5263.7 Ų63.727%0.27233%0.328SS..EExtended strand (participates in β ladder)trans-75.1119.4166.9-176.369.2000109.4P117 D139 Q140 L145 Y147P117-L137 HydrophobicContact CB-CD2 4.26Å; P117-L137 HydrophobicContact CG-CD2 4.23Å; L137-D139 WeakPolarHBondContact CD1-O 3.49Å; L137-Q140 HydrophobicContact CD2-CB 4.4Å; L137-L145 HydrophobicContact CD1-CB 4.16Å; L137-L145 HydrophobicContact CD1-CD2 4.41Å; L137-Y147 HydrophobicContact CB-CD1 4.16Å; L137-Y147 HydrophobicContact CB-CE1 3.93Å; L137-Y147 HydrophobicContact CD1-CD1 4.09Å; L137-Y147 HydrophobicContact CD1-CD2 4.18Å; L137-Y147 HydrophobicContact CD1-CE1 3.71Å; L137-Y147 HydrophobicContact CD1-CE2 3.81Å; L137-Y147 HydrophobicContact CD1-CG 4.32Å; L137-Y147 HydrophobicContact CG-CE1 4.41Å
138I91.8Very high91.7Very high85 Ų8562.3 Ų62.344%0.43632%0.321SS..EExtended strand (participates in β ladder)trans-88.1-50.6178.7-61.2172.3000110K136 L146 E148 I160K136-I138 PolarHBondContact O-N 2.97Å; I138-L146 HydrophobicContact CB-CB 4.38Å; I138-L146 HydrophobicContact CB-CD2 4.19Å; I138-L146 HydrophobicContact CB-CG 4.19Å; I138-L146 WeakPolarHBondContact CB-O 3.39Å; I138-L146 HydrophobicContact CD1-CD2 4.44Å; I138-L146 HydrophobicContact CD1-CG 4.3Å; I138-L146 HydrophobicContact CG2-CD2 3.96Å; I138-L146 PolarHBondContact N-O 3.39Å; I138-E148 HydrophobicContact CD1-CB 3.96Å; I138-E148 HydrophobicContact CG1-CB 4.14Å; I138-I160 HydrophobicContact CD1-CG2 3.89Å
139D88.8Confident91.8Very high82 Ų8254.9 Ų54.944%0.43928%0.283SS..EExtended strand (participates in β ladder)trans-147.5152.6-175.7-176.440.4000111.5L137 L146L137-D139 WeakPolarHBondContact CD1-O 3.49Å; D139-L146 HydrophobicContact CB-CB 4.07Å; D139-L146 PolarHBondContact N-O 3.45Å; D139-L146 PolarHBondContact O-N 3.04Å
140Q88.6Confident91.8Very high106 Ų10652.6 Ų52.650%0.49526%0.259SS..EExtended strand (participates in β ladder)trans-140.8120.6177.5166.8168.72.100110L137 L145L137-Q140 HydrophobicContact CD2-CB 4.4Å; Q140-L145 HydrophobicContact CB-CD2 3.53Å; Q140-L145 HydrophobicContact CG-CD2 3.35Å
141N81.6Confident91.6Very high55 Ų5553 Ų5329%0.29426%0.261SS..  trans-124.1-177.3168.567.951000111I143 E144N141-I143 PolarHBondContact O-N 2.94Å; N141-I143 WeakPolarHBondContact OD1-CG1 3.32Å; N141-I143 PolarHBondContact OD1-N 2.95Å; N141-E144 PolarHBondContact N-O 2.99Å; N141-E144 PolarHBondContact OD1-N 2.86Å; N141-E144 PolarHBondContact OD1-O 2.97Å
142M74.5Confident90.9Very high165 Ų16554 Ų5481%0.81327%0.269SS*.SBendtrans-66.5-18.4-174.2-69.3-65-64.800114.3
143I80.1Confident90.2Very high95 Ų9562.1 Ų62.149%0.48731%0.312SS..SBendtrans-120.5-18.7-17159.2171.5000113.4N141N141-I143 PolarHBondContact O-N 2.94Å; N141-I143 WeakPolarHBondContact OD1-CG1 3.32Å; N141-I143 PolarHBondContact OD1-N 2.95Å
144E88.7Confident89.5Confident17 Ų1760.3 Ų60.38%0.07931%0.31CS..EExtended strand (participates in β ladder)trans-149.9145.7-168.4172.2176.1124.800111.6N141 K162 L163N141-E144 PolarHBondContact N-O 2.99Å; N141-E144 PolarHBondContact OD1-N 2.86Å; N141-E144 PolarHBondContact OD1-O 2.97Å; E144-K162 WeakPolarHBondContact OE1-CE 3.41Å; E144-K162 IonicContact OE1-NZ 3.58Å; E144-K162 PolarHBondContact OE1-NZ 2.84Å; E144-K162 WeakPolarHBondContact OE2-CE 3.27Å; E144-K162 IonicContact OE2-NZ 3.64Å; E144-K162 PolarHBondContact OE2-NZ 3.17Å; E144-L163 CarbonylContact C-O 3.59Å; E144-L163 WeakPolarHBondContact CA-O 3.48Å
145L92.6Very high88.4Confident0 Ų070 Ų700%036%0.355CS..EExtended strand (participates in β ladder)trans-114.9142.2163.1-56-178.9000110F114 P117 L137 Q140 Y147 L163F114-L145 HydrophobicContact CD1-CD1 4.05Å; F114-L145 HydrophobicContact CD1-CD2 4.48Å; F114-L145 HydrophobicContact CD1-CG 4.04Å; F114-L145 HydrophobicContact CE1-CD1 3.19Å; F114-L145 HydrophobicContact CE1-CD2 4.28Å; F114-L145 HydrophobicContact CE1-CG 3.42Å; F114-L145 VanDerWaalsContact CE1-CG 3.42Å; F114-L145 HydrophobicContact CZ-CB 4.46Å; F114-L145 HydrophobicContact CZ-CD1 3.71Å; F114-L145 HydrophobicContact CZ-CG 3.69Å; P117-L145 HydrophobicContact CB-CD1 3.97Å; P117-L145 HydrophobicContact CG-CD1 4.21Å; P117-L145 HydrophobicContact CG-CD2 4.46Å; L137-L145 HydrophobicContact CD1-CB 4.16Å; L137-L145 HydrophobicContact CD1-CD2 4.41Å; Q140-L145 HydrophobicContact CB-CD2 3.53Å; Q140-L145 HydrophobicContact CG-CD2 3.35Å; L145-Y147 HydrophobicContact CB-CD2 4.15Å; L145-Y147 HydrophobicContact CB-CE2 3.57Å; L145-Y147 HydrophobicContact CD1-CE2 3.83Å; L145-Y147 HydrophobicContact CG-CE2 4.37Å; L145-L163 HydrophobicContact CB-CB 4.27Å; L145-L163 HydrophobicContact CD1-CD2 4.4Å; L145-L163 PolarHBondContact N-O 3.44Å; L145-L163 PolarHBondContact O-N 2.85Å
146L94.3Very high87.6Confident11 Ų1174 Ų746%0.05837%0.372CS..EExtended strand (participates in β ladder)trans-115124.3175.2-170.568000109.6I138 D139 I160 L161 K162 Y271I138-L146 HydrophobicContact CB-CB 4.38Å; I138-L146 HydrophobicContact CB-CD2 4.19Å; I138-L146 HydrophobicContact CB-CG 4.19Å; I138-L146 WeakPolarHBondContact CB-O 3.39Å; I138-L146 HydrophobicContact CD1-CD2 4.44Å; I138-L146 HydrophobicContact CD1-CG 4.3Å; I138-L146 HydrophobicContact CG2-CD2 3.96Å; I138-L146 PolarHBondContact N-O 3.39Å; D139-L146 HydrophobicContact CB-CB 4.07Å; D139-L146 PolarHBondContact N-O 3.45Å; D139-L146 PolarHBondContact O-N 3.04Å; L146-I160 HydrophobicContact CD1-CB 4.18Å; L146-I160 HydrophobicContact CD1-CD1 4.29Å; L146-I160 HydrophobicContact CD1-CG1 4.49Å; L146-L161 WeakPolarHBondContact CA-O 3.49Å; L146-K162 HydrophobicContact CD1-CG 3.75Å; L146-Y271 HydrophobicContact CD2-CE1 4.41Å
147Y95.7Very high86.9Confident1 Ų169.9 Ų69.90%0.00436%0.36CS..EExtended strand (participates in β ladder)trans-119146.5178-69.9-95.9000111.5P117 L118 L134 K136 L137 L145 I160 L161 L163P117-Y147 WeakPolarHBondContact CA-OH 3.44Å; P117-Y147 WeakPolarHBondContact CB-OH 3.42Å; L118-Y147 PolarHBondContact N-OH 3.27Å; L118-Y147 PolarHBondContact O-OH 2.94Å; L134-Y147 HydrophobicContact CB-CD1 4.19Å; L134-Y147 HydrophobicContact CD1-CD1 4.04Å; L134-Y147 HydrophobicContact CD1-CE1 3.87Å; L134-Y147 HydrophobicContact CD1-CE2 4.4Å; L134-Y147 HydrophobicContact CD1-CG 4.37Å; L134-Y147 HydrophobicContact CD2-CD1 4.19Å; L134-Y147 HydrophobicContact CD2-CD2 4.33Å; L134-Y147 HydrophobicContact CD2-CG 3.92Å; L134-Y147 HydrophobicContact CG-CD1 4.37Å; K136-Y147 CarbonylContact O-C 3.42Å; K136-Y147 VanDerWaalsContact O-CA 3.23Å; K136-Y147 WeakPolarHBondContact O-CA 3.23Å; L137-Y147 HydrophobicContact CB-CD1 4.16Å; L137-Y147 HydrophobicContact CB-CE1 3.93Å; L137-Y147 HydrophobicContact CD1-CD1 4.09Å; L137-Y147 HydrophobicContact CD1-CD2 4.18Å; L137-Y147 HydrophobicContact CD1-CE1 3.71Å; L137-Y147 HydrophobicContact CD1-CE2 3.81Å; L137-Y147 HydrophobicContact CD1-CG 4.32Å; L137-Y147 HydrophobicContact CG-CE1 4.41Å; L145-Y147 HydrophobicContact CB-CD2 4.15Å; L145-Y147 HydrophobicContact CB-CE2 3.57Å; L145-Y147 HydrophobicContact CD1-CE2 3.83Å; L145-Y147 HydrophobicContact CG-CE2 4.37Å; Y147-I160 CarbonylContact O-C 3.35Å; Y147-I160 WeakPolarHBondContact O-CA 3.38Å; Y147-L161 HydrophobicContact CD2-CD2 4.36Å; Y147-L161 PolarHBondContact N-O 3.27Å; Y147-L161 PolarHBondContact O-N 3.33Å; Y147-L163 HydrophobicContact CE2-CD2 4.24Å
148E95.6Very high86.7Confident63 Ų6370.9 Ų70.929%0.29437%0.366SS..EExtended strand (participates in β ladder)trans-74.9134156.6-169.7178.5176.300108.4I135 K136 I138 A157I135-E148 HydrophobicContact CB-CB 4.44Å; I135-E148 HydrophobicContact CB-CG 4.45Å; I135-E148 WeakPolarHBondContact CB-O 3.41Å; I135-E148 PolarHBondContact N-O 2.98Å; K136-E148 HydrophobicContact CB-CB 4.11Å; K136-E148 PolarHBondContact N-O 3.1Å; K136-E148 PolarHBondContact O-N 2.87Å; I138-E148 HydrophobicContact CD1-CB 3.96Å; I138-E148 HydrophobicContact CG1-CB 4.14Å; E148-A157 HydrophobicContact CG-CB 3.77Å; E148-A157 VanDerWaalsContact OE1-CB 3.3Å; E148-A157 WeakPolarHBondContact OE1-CB 3.38Å
149V96Very high86.9Confident0 Ų067.7 Ų67.70%035%0.349CS..EExtended strand (participates in β ladder)trans-135.7149.6-178-58.60000112.4W132 K133 L134 H159 L161 I217W132-V149 HydrophobicContact CE3-CG2 4.01Å; K133-V149 VanDerWaalsContact O-CA 3.28Å; K133-V149 WeakPolarHBondContact O-CA 3.39Å; K133-V149 WeakPolarHBondContact O-CB 3.42Å; L134-V149 HydrophobicContact CD2-CG1 3.67Å; V149-H159 HydrophobicContact CG2-CB 3.64Å; V149-H159 PolarHBondContact N-O 3.09Å; V149-L161 HydrophobicContact CB-CB 4.37Å; V149-L161 HydrophobicContact CG1-CB 3.37Å; V149-L161 HydrophobicContact CG1-CD1 3.98Å; V149-L161 HydrophobicContact CG1-CG 4.29Å; V149-L161 HydrophobicContact CG2-CB 4.05Å; V149-I217 HydrophobicContact CG2-CD1 4.4Å; V149-I217 HydrophobicContact CG2-CG2 4.46Å
150A94.4Very high87.3Confident5 Ų564.2 Ų64.24%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-126.8157.4173.900000110.7K133 I135 A157K133-A150 PolarHBondContact N-O 2.94Å; K133-A150 PolarHBondContact O-N 2.95Å; K133-A150 VanDerWaalsContact O-N 3.1Å; I135-A150 HydrophobicContact CD1-CB 3.99Å; I135-A150 HydrophobicContact CG1-CB 3.86Å; A150-A157 HydrophobicContact CB-CB 4.03Å
151Q91.3Very high87.7Confident76 Ų7659.2 Ų59.236%0.35531%0.307SS..  trans-71.9142.7164.1-66.2178.648.100109W132 N153 S154W132-Q151 HydrophobicContact CE3-CG 4.22Å; W132-Q151 HydrophobicContact CZ3-CG 4.05Å; Q151-N153 PolarHBondContact O-N 3.02Å; Q151-S154 WeakPolarHBondContact O-CB 3.05Å; Q151-S154 PolarHBondContact O-N 3.11Å
152P82.2Confident88.4Confident62 Ų6256.7 Ų56.740%0.40329%0.294SS..THydrogen-bonded Turntrans-54.3-24.6-174.8-30.835.2000116T131T131-P152 HydrophobicContact CG2-CG 3.8Å; T131-P152 WeakPolarHBondContact O-CD 3.48Å
153N81.8Confident89.4Confident170 Ų17048.9 Ų48.991%0.90926%0.255SS*.THydrogen-bonded Turntrans-103.86.5179.9-58-26.1000113.3Q151Q151-N153 PolarHBondContact O-N 3.02Å
154S81.4Confident90Very high45 Ų4544.4 Ų44.432%0.31523%0.232SC..  trans-105.5134.6177.9-175.10000109.3Q151 E156Q151-S154 WeakPolarHBondContact O-CB 3.05Å; Q151-S154 PolarHBondContact O-N 3.11Å; S154-E156 VanDerWaalsContact C-N 3.31Å; S154-E156 PolarHBondContact OG-N 3.16Å; S154-E156 PolarHBondContact OG-O 3.1Å
155E72.1Confident90.3Very high205 Ų20544.1 Ų44.196%0.95823%0.233SC*.SBendtrans-82.1-15.4168.3-64.4-168.7170.900112
156E79.4Confident90.3Very high143 Ų14346.6 Ų46.667%0.66824%0.244SC*.  trans-91.3127.5177.6-66.3179.9-176.500110.6S154S154-E156 VanDerWaalsContact C-N 3.31Å; S154-E156 PolarHBondContact OG-N 3.16Å; S154-E156 PolarHBondContact OG-O 3.1Å
157A80.8Confident90Very high30 Ų3052.5 Ų52.525%0.24828%0.275CS..  trans-102.277.2172.900000109.2I135 E148 A150I135-A157 HydrophobicContact CG1-CB 4.11Å; E148-A157 HydrophobicContact CG-CB 3.77Å; E148-A157 VanDerWaalsContact OE1-CB 3.3Å; E148-A157 WeakPolarHBondContact OE1-CB 3.38Å; A150-A157 HydrophobicContact CB-CB 4.03Å
158D89.8Confident89.8Confident73 Ų7353.6 Ų53.639%0.3929%0.287SS..  trans-98.413.1-174.365.6-34.8000113.1D220D158-D220 WeakPolarHBondContact O-CB 3.41Å; D158-D220 PolarHBondContact O-N 3.02Å
159H95.8Very high89.6Confident18 Ų1853.8 Ų53.88%0.08329%0.285CS..EExtended strand (participates in β ladder)trans-129.9153.8-176.4-67.678.8000111.5W132 V149 I217 F218W132-H159 AromaticContact CH2-CD2 3.59Å; W132-H159 AromaticContact CH2-CG 3.96Å; W132-H159 AromaticContact CH2-NE2 3.72Å; W132-H159 HydrophobicContact CZ3-CB 3.92Å; W132-H159 AromaticContact CZ3-CD2 3.66Å; W132-H159 AromaticContact CZ3-CG 3.52Å; W132-H159 AromaticContact CZ3-ND1 3.77Å; V149-H159 HydrophobicContact CG2-CB 3.64Å; V149-H159 PolarHBondContact N-O 3.09Å; H159-I217 HydrophobicContact CB-CG2 4.12Å; H159-F218 CarbonylContact C-O 3.58Å; H159-F218 VanDerWaalsContact CA-O 3.28Å; H159-F218 WeakPolarHBondContact CA-O 3.37Å; H159-F218 WeakPolarHBondContact CB-O 3.43Å
160I96.3Very high89.6Confident9 Ų954 Ų545%0.04629%0.286CS..EExtended strand (participates in β ladder)trans-117.2143.8171.663-179.4000110.2I138 L146 Y147 I217 F218 M221I138-I160 HydrophobicContact CD1-CG2 3.89Å; L146-I160 HydrophobicContact CD1-CB 4.18Å; L146-I160 HydrophobicContact CD1-CD1 4.29Å; L146-I160 HydrophobicContact CD1-CG1 4.49Å; Y147-I160 CarbonylContact O-C 3.35Å; Y147-I160 WeakPolarHBondContact O-CA 3.38Å; I160-I217 WeakPolarHBondContact O-CA 3.37Å; I160-F218 HydrophobicContact CD1-CB 4.28Å; I160-F218 HydrophobicContact CG1-CB 3.84Å; I160-F218 HydrophobicContact CG1-CD2 4.47Å; I160-F218 PolarHBondContact N-O 3.06Å; I160-F218 PolarHBondContact O-N 2.93Å; I160-M221 HydrophobicContact CD1-CB 4.43Å; I160-M221 HydrophobicContact CD1-CE 3.68Å; I160-M221 HydrophobicContact CD1-CG 4.22Å
161L97Very high89.6Confident0 Ų058 Ų580%030%0.303CS..EExtended strand (participates in β ladder)trans-115.6119.1176.5-176.4156.2000109.1L124 L134 L146 Y147 V149 L163 F215 L216 I217L124-L161 HydrophobicContact CD1-CD1 4.45Å; L124-L161 HydrophobicContact CD2-CD1 3.94Å; L134-L161 HydrophobicContact CD2-CD1 3.92Å; L134-L161 HydrophobicContact CD2-CD2 4.42Å; L146-L161 WeakPolarHBondContact CA-O 3.49Å; Y147-L161 HydrophobicContact CD2-CD2 4.36Å; Y147-L161 PolarHBondContact N-O 3.27Å; Y147-L161 PolarHBondContact O-N 3.33Å; V149-L161 HydrophobicContact CB-CB 4.37Å; V149-L161 HydrophobicContact CG1-CB 3.37Å; V149-L161 HydrophobicContact CG1-CD1 3.98Å; V149-L161 HydrophobicContact CG1-CG 4.29Å; V149-L161 HydrophobicContact CG2-CB 4.05Å; L161-L163 HydrophobicContact CD2-CB 3.71Å; L161-L163 HydrophobicContact CD2-CD1 4.17Å; L161-L163 HydrophobicContact CD2-CG 4.46Å; L161-F215 HydrophobicContact CD1-CB 4.31Å; L161-F215 HydrophobicContact CD1-CD2 3.97Å; L161-F215 HydrophobicContact CD1-CG 4.31Å; L161-F215 HydrophobicContact CD2-CB 3.91Å; L161-F215 HydrophobicContact CG-CB 4.09Å; L161-F215 HydrophobicContact CG-CD2 4.31Å; L161-L216 CarbonylContact C-O 3.53Å; L161-L216 WeakPolarHBondContact CA-O 3.36Å; L161-I217 HydrophobicContact CB-CD1 3.74Å; L161-I217 HydrophobicContact CD1-CD1 3.37Å; L161-I217 HydrophobicContact CG-CD1 3.54Å
162K96.1Very high89.7Confident3 Ų357.3 Ų57.31%0.01330%0.301CS..EExtended strand (participates in β ladder)trans-89.6123.9167.7-56.1-171.877.2-156.10108.5E144 L146 I170 E173 F215 L216 F218E144-K162 WeakPolarHBondContact OE1-CE 3.41Å; E144-K162 IonicContact OE1-NZ 3.58Å; E144-K162 PolarHBondContact OE1-NZ 2.84Å; E144-K162 WeakPolarHBondContact OE2-CE 3.27Å; E144-K162 IonicContact OE2-NZ 3.64Å; E144-K162 PolarHBondContact OE2-NZ 3.17Å; L146-K162 HydrophobicContact CD1-CG 3.75Å; K162-I170 HydrophobicContact CB-CD1 4.32Å; K162-E173 IonicContact NZ-OE1 3.95Å; K162-E173 IonicContact NZ-OE2 2.76Å; K162-E173 PolarHBondContact NZ-OE2 3.26Å; K162-F215 CarbonylContact O-C 3.49Å; K162-F215 WeakPolarHBondContact O-CA 3.45Å; K162-L216 HydrophobicContact CB-CB 4.41Å; K162-L216 PolarHBondContact N-O 3.04Å; K162-L216 PolarHBondContact O-N 3.43Å; K162-F218 HydrophobicContact CB-CE2 4.32Å; K162-F218 HydrophobicContact CD-CD2 4.05Å; K162-F218 HydrophobicContact CD-CE2 3.44Å; K162-F218 VanDerWaalsContact CD-CE2 3.44Å; K162-F218 HydrophobicContact CD-CZ 4.25Å; K162-F218 HydrophobicContact CG-CD2 4Å; K162-F218 HydrophobicContact CG-CE2 3.69Å
163L95.6Very high90.4Very high0 Ų054.4 Ų54.40%028%0.283CS..EExtended strand (participates in β ladder)trans-117.6124.1-179.4-168.470.7000109.4F114 L118 L124 E144 L145 Y147 L161 Y213 F215F114-L163 WeakPolarHBondContact CE2-O 3.05Å; F114-L163 HydrophobicContact CZ-CB 4.42Å; F114-L163 HydrophobicContact CZ-CD2 3.93Å; F114-L163 HydrophobicContact CZ-CG 3.97Å; L118-L163 HydrophobicContact CD1-CD2 3.51Å; L118-L163 HydrophobicContact CG-CD2 3.83Å; L124-L163 HydrophobicContact CD2-CD1 4.08Å; E144-L163 CarbonylContact C-O 3.59Å; E144-L163 WeakPolarHBondContact CA-O 3.48Å; L145-L163 HydrophobicContact CB-CB 4.27Å; L145-L163 HydrophobicContact CD1-CD2 4.4Å; L145-L163 PolarHBondContact N-O 3.44Å; L145-L163 PolarHBondContact O-N 2.85Å; Y147-L163 HydrophobicContact CE2-CD2 4.24Å; L161-L163 HydrophobicContact CD2-CB 3.71Å; L161-L163 HydrophobicContact CD2-CD1 4.17Å; L161-L163 HydrophobicContact CD2-CG 4.46Å; L163-Y213 HydrophobicContact CD1-CD1 4.44Å; L163-Y213 HydrophobicContact CD1-CG 4.17Å; L163-Y213 HydrophobicContact CD2-CD1 4.09Å; L163-Y213 HydrophobicContact CD2-CE1 4.5Å; L163-Y213 HydrophobicContact CD2-CG 4.33Å; L163-Y213 HydrophobicContact CG-CD1 4.08Å; L163-Y213 HydrophobicContact CG-CG 4.3Å; L163-F215 HydrophobicContact CD1-CB 3.71Å
164G94.4Very high91.1Very high1 Ų146.8 Ų46.81%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-129.3163.817900000111.1K166 Y213 R214G164-K166 PolarHBondContact O-N 3.14Å; G164-Y213 WeakPolarHBondContact O-CA 3.28Å; G164-R214 PolarHBondContact N-O 2.82Å; G164-R214 PolarHBondContact O-N 3.34Å; G164-R214 VanDerWaalsContact O-O 3.13Å
165A93.1Very high91.8Very high11 Ų1146 Ų469%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-57.5139.3169.900000110.2V112 D167 G168 I170V112-A165 HydrophobicContact CB-CB 4.38Å; V112-A165 HydrophobicContact CG1-CB 3.76Å; A165-D167 PolarHBondContact O-N 3.32Å; A165-D167 VanDerWaalsContact O-N 3.16Å; A165-G168 PolarHBondContact O-N 3.18Å; A165-I170 WeakPolarHBondContact O-CG2 3.22Å
166K92.5Very high93Very high53 Ų5336.3 Ų36.323%0.2319%0.188CC..THydrogen-bonded Turntrans-50.9-43.2-175.2170.8175.2173.9177.10113.7G164 L208 D211 L212 R214G164-K166 PolarHBondContact O-N 3.14Å; K166-L208 HydrophobicContact CD-CD1 4.46Å; K166-L208 HydrophobicContact CD-CD2 4.41Å; K166-L208 HydrophobicContact CG-CD2 3.98Å; K166-D211 WeakPolarHBondContact CD-O 3.23Å; K166-D211 PolarHBondContact NZ-O 2.65Å; K166-D211 IonicContact NZ-OD1 3.35Å; K166-D211 PolarHBondContact NZ-OD1 3.5Å; K166-L212 VanDerWaalsContact CB-O 3.28Å; K166-L212 WeakPolarHBondContact CB-O 3.41Å; K166-L212 PolarHBondContact N-O 2.97Å; K166-R214 PolarHBondContact O-NE 2.96Å; K166-R214 PolarHBondContact O-NH2 3.41Å
167D89.7Confident93.8Very high135 Ų13529.9 Ų29.972%0.72216%0.158SC*.THydrogen-bonded Turntrans-101.113.9-179.4-57.7-42.8000112.6A165A165-D167 PolarHBondContact O-N 3.32Å; A165-D167 VanDerWaalsContact O-N 3.16Å
168G91.2Very high94.5Very high24 Ų2430.9 Ų30.925%0.24716%0.158CC..SBendtrans-87.2-171.1178.200000114A165 I170 F171A165-G168 PolarHBondContact O-N 3.18Å; G168-I170 VanDerWaalsContact C-N 3.25Å; G168-I170 PolarHBondContact O-N 3.45Å; G168-F171 WeakPolarHBondContact O-CB 3.41Å; G168-F171 PolarHBondContact O-N 3.49Å
169R91.8Very high94.6Very high66 Ų6634 Ų3425%0.24916%0.164CC..THydrogen-bonded Turntrans-65.9-21.2-175.5-65.4-177.1-178.5-86.6-2.1114.3E109 F171 N172 C286 E309E109-R169 IonicContact OE1-NH2 3.27Å; R169-F171 PolarHBondContact O-N 3.49Å; R169-F171 VanDerWaalsContact O-N 3.09Å; R169-N172 VanDerWaalsContact O-CB 3.29Å; R169-N172 WeakPolarHBondContact O-CB 3.38Å; R169-N172 PolarHBondContact O-N 3.38Å; R169-C286 HydrophobicContact CB-CB 3.85Å; R169-E309 IonicContact CZ-OE1 2.7Å; R169-E309 VanDerWaalsContact CZ-OE1 3.25Å; R169-E309 IonicContact NH1-OE1 2.7Å; R169-E309 PolarHBondContact NH1-OE1 3.37Å; R169-E309 IonicContact NH2-OE1 3.6Å; R169-E309 PolarHBondContact NH2-OE1 2.74Å
170I94.6Very high94.6Very high6 Ų633.3 Ų33.33%0.03116%0.162CC..Hα-helixtrans-58.9-22.6174.3-169.3163.3000112.8K162 A165 G168 N172 E173 Q174 R214 L216K162-I170 HydrophobicContact CB-CD1 4.32Å; A165-I170 WeakPolarHBondContact O-CG2 3.22Å; G168-I170 VanDerWaalsContact C-N 3.25Å; G168-I170 PolarHBondContact O-N 3.45Å; I170-N172 VanDerWaalsContact C-N 3.29Å; I170-N172 PolarHBondContact O-N 3.42Å; I170-E173 PolarHBondContact O-N 2.98Å; I170-Q174 PolarHBondContact O-N 2.88Å; I170-R214 HydrophobicContact CG2-CB 3.86Å; I170-R214 HydrophobicContact CG2-CG 4.17Å; I170-L216 HydrophobicContact CD1-CD1 4.14Å; I170-L216 HydrophobicContact CD1-CG 4.09Å; I170-L216 HydrophobicContact CG1-CD1 3.77Å; I170-L216 HydrophobicContact CG1-CG 4.06Å
171F94.4Very high94.6Very high89 Ų8933.3 Ų33.339%0.3916%0.163SC..Hα-helixtrans-62.2-35.7170.6176.5-114.9000112.6G168 R169 N175G168-F171 WeakPolarHBondContact O-CB 3.41Å; G168-F171 PolarHBondContact O-N 3.49Å; R169-F171 PolarHBondContact O-N 3.49Å; R169-F171 VanDerWaalsContact O-N 3.09Å; F171-N175 WeakPolarHBondContact CD1-ND2 3.43Å; F171-N175 WeakPolarHBondContact CE1-ND2 3.36Å; F171-N175 WeakPolarHBondContact CE2-ND2 3.41Å; F171-N175 WeakPolarHBondContact CZ-ND2 3.49Å; F171-N175 PolarHBondContact O-N 3.24Å; F171-N175 PolarHBondContact O-ND2 3.38Å
172N94.6Very high94.4Very high61 Ų6138 Ų3833%0.32618%0.183SC..Hα-helixtrans-67.8-43.5177.3-64.4-19.7000111R169 I170 N175 F176 C286R169-N172 VanDerWaalsContact O-CB 3.29Å; R169-N172 WeakPolarHBondContact O-CB 3.38Å; R169-N172 PolarHBondContact O-N 3.38Å; I170-N172 VanDerWaalsContact C-N 3.29Å; I170-N172 PolarHBondContact O-N 3.42Å; N172-N175 PolarHBondContact O-N 3.06Å; N172-F176 PolarHBondContact O-N 2.96Å; N172-C286 WeakPolarHBondContact CB-O 3.4Å; N172-C286 PolarHBondContact ND2-O 3.5Å; N172-C286 VanDerWaalsContact ND2-O 3.16Å
173E96.6Very high94.4Very high1 Ų140.4 Ų40.41%0.00520%0.201CC..Hα-helixtrans-60-46.8175.7178.3158.5-13800110.8K162 I170 N175 F176 L177 L216 G284 Y285K162-E173 IonicContact NZ-OE1 3.95Å; K162-E173 IonicContact NZ-OE2 2.76Å; K162-E173 PolarHBondContact NZ-OE2 3.26Å; I170-E173 PolarHBondContact O-N 2.98Å; E173-N175 VanDerWaalsContact C-N 3.33Å; E173-N175 PolarHBondContact O-N 2.95Å; E173-F176 PolarHBondContact O-N 3.23Å; E173-L177 HydrophobicContact CG-CD1 3.8Å; E173-L177 HydrophobicContact CG-CG 4.48Å; E173-L177 VanDerWaalsContact O-CG 3.31Å; E173-L177 WeakPolarHBondContact O-CG 3.41Å; E173-L177 PolarHBondContact O-N 2.91Å; E173-L216 HydrophobicContact CB-CD1 4.09Å; E173-L216 HydrophobicContact CG-CD1 3.55Å; E173-G284 PolarHBondContact OE1-N 3.39Å; E173-G284 VanDerWaalsContact OE1-N 3.16Å; E173-Y285 WeakPolarHBondContact CA-O 3.29Å; E173-Y285 PolarHBondContact N-O 2.91Å; E173-Y285 PolarHBondContact OE1-N 3.17Å
174Q96.3Very high94.4Very high9 Ų944 Ų444%0.04223%0.23CC..Hα-helixtrans-56-47.3174.2-167.4-173.3-5500111.8I170 F176 L177 Q178 F206 R214 L216I170-Q174 PolarHBondContact O-N 2.88Å; Q174-F176 PolarHBondContact O-N 3.48Å; Q174-L177 PolarHBondContact O-N 2.62Å; Q174-Q178 HydrophobicContact CG-CG 4.36Å; Q174-Q178 WeakPolarHBondContact O-CB 3.48Å; Q174-Q178 VanDerWaalsContact O-CG 3.32Å; Q174-Q178 WeakPolarHBondContact O-CG 3.37Å; Q174-Q178 PolarHBondContact O-N 2.77Å; Q174-F206 HydrophobicContact CG-CD2 4Å; Q174-F206 HydrophobicContact CG-CE2 4.45Å; Q174-F206 HydrophobicContact CG-CG 4.34Å; Q174-F206 VanDerWaalsContact NE2-CD2 3.33Å; Q174-F206 VanDerWaalsContact NE2-CE2 3.27Å; Q174-R214 VanDerWaalsContact CD-NH1 3.32Å; Q174-R214 VanDerWaalsContact OE1-CD 3.3Å; Q174-L216 HydrophobicContact CB-CD2 3.9Å; Q174-L216 HydrophobicContact CG-CD2 3.88Å
175N95.8Very high94.5Very high29 Ų2945.3 Ų45.316%0.15524%0.239CC..Hα-helixtrans-63.4-39.6-179.8-78.6-48.5000112.7F171 N172 E173 R179F171-N175 WeakPolarHBondContact CD1-ND2 3.43Å; F171-N175 WeakPolarHBondContact CE1-ND2 3.36Å; F171-N175 WeakPolarHBondContact CE2-ND2 3.41Å; F171-N175 WeakPolarHBondContact CZ-ND2 3.49Å; F171-N175 PolarHBondContact O-N 3.24Å; F171-N175 PolarHBondContact O-ND2 3.38Å; N172-N175 PolarHBondContact O-N 3.06Å; E173-N175 VanDerWaalsContact C-N 3.33Å; E173-N175 PolarHBondContact O-N 2.95Å; N175-R179 VanDerWaalsContact O-CB 3.29Å; N175-R179 WeakPolarHBondContact O-CB 3.5Å; N175-R179 WeakPolarHBondContact O-CD 3.37Å; N175-R179 WeakPolarHBondContact O-CG 3.24Å; N175-R179 PolarHBondContact O-N 2.94Å; N175-R179 VanDerWaalsContact O-N 3.12Å
176F97.4Very high94.7Very high1 Ų145.3 Ų45.30%0.00424%0.238CC..Hα-helixtrans-60.4-51.1173.8161.6-101000110.5N172 E173 Q174 Q178 R179 A180 A181 I255 Y260 Y285 A288N172-F176 PolarHBondContact O-N 2.96Å; E173-F176 PolarHBondContact O-N 3.23Å; Q174-F176 PolarHBondContact O-N 3.48Å; F176-Q178 VanDerWaalsContact C-N 3.33Å; F176-Q178 PolarHBondContact O-N 3.32Å; F176-R179 PolarHBondContact O-N 2.7Å; F176-R179 VanDerWaalsContact O-N 3.13Å; F176-A180 HydrophobicContact CD2-CB 3.81Å; F176-A180 HydrophobicContact CE2-CB 3.68Å; F176-A180 PolarHBondContact O-N 3.47Å; F176-A181 HydrophobicContact CE1-CB 3.92Å; F176-A181 HydrophobicContact CZ-CB 4Å; F176-I255 HydrophobicContact CE2-CB 4.3Å; F176-I255 HydrophobicContact CE2-CG2 3.92Å; F176-I255 HydrophobicContact CZ-CG2 3.7Å; F176-Y260 HydrophobicContact CB-CD1 4.48Å; F176-Y260 HydrophobicContact CB-CE1 4.26Å; F176-Y260 AromaticContact CD2-CD1 3.76Å; F176-Y260 HydrophobicContact CD2-CD1 3.76Å; F176-Y260 HydrophobicContact CD2-CD2 4.17Å; F176-Y260 HydrophobicContact CD2-CE1 4.22Å; F176-Y260 AromaticContact CD2-CG 3.73Å; F176-Y260 HydrophobicContact CD2-CG 3.73Å; F176-Y260 HydrophobicContact CE2-CG 4.22Å; F176-Y285 AromaticContact CD1-CD1 3.59Å; F176-Y285 HydrophobicContact CD1-CD1 3.59Å; F176-Y285 AromaticContact CD1-CD2 3.78Å; F176-Y285 HydrophobicContact CD1-CD2 3.78Å; F176-Y285 HydrophobicContact CD1-CE1 4.2Å; F176-Y285 HydrophobicContact CD1-CE2 4.37Å; F176-Y285 AromaticContact CD1-CG 3.35Å; F176-Y285 HydrophobicContact CD1-CG 3.35Å; F176-Y285 HydrophobicContact CD2-CD1 4.39Å; F176-Y285 AromaticContact CE1-CD1 3.34Å; F176-Y285 HydrophobicContact CE1-CD1 3.34Å; F176-Y285 AromaticContact CE1-CD2 3.55Å; F176-Y285 HydrophobicContact CE1-CD2 3.55Å; F176-Y285 AromaticContact CE1-CE1 3.46Å; F176-Y285 HydrophobicContact CE1-CE1 3.46Å; F176-Y285 VanDerWaalsContact CE1-CE1 3.46Å; F176-Y285 AromaticContact CE1-CE2 3.67Å; F176-Y285 HydrophobicContact CE1-CE2 3.67Å; F176-Y285 AromaticContact CE1-CG 3.39Å; F176-Y285 HydrophobicContact CE1-CG 3.39Å; F176-Y285 AromaticContact CE1-CZ 3.64Å; F176-Y285 HydrophobicContact CE2-CD1 4.17Å; F176-Y285 HydrophobicContact CE2-CE1 4.24Å; F176-Y285 HydrophobicContact CG-CD1 4.12Å; F176-Y285 HydrophobicContact CG-CG 4.15Å; F176-Y285 AromaticContact CZ-CD1 3.66Å; F176-Y285 HydrophobicContact CZ-CD1 3.66Å; F176-Y285 AromaticContact CZ-CE1 3.48Å; F176-Y285 HydrophobicContact CZ-CE1 3.48Å; F176-Y285 VanDerWaalsContact CZ-CE1 3.48Å; F176-Y285 HydrophobicContact CZ-CE2 4.4Å; F176-Y285 HydrophobicContact CZ-CG 4.19Å; F176-Y285 AromaticContact CZ-CZ 3.91Å; F176-A288 HydrophobicContact CB-CB 4.27Å; F176-A288 HydrophobicContact CG-CB 4.38Å
177L96.4Very high94.9Very high8 Ų847.6 Ų47.64%0.04225%0.25CC..Hα-helixtrans-59-44.7-178.2-68.5162.5000111.7E173 Q174 R179 A181 K182 C203 L216 F218E173-L177 HydrophobicContact CG-CD1 3.8Å; E173-L177 HydrophobicContact CG-CG 4.48Å; E173-L177 VanDerWaalsContact O-CG 3.31Å; E173-L177 WeakPolarHBondContact O-CG 3.41Å; E173-L177 PolarHBondContact O-N 2.91Å; Q174-L177 PolarHBondContact O-N 2.62Å; L177-R179 VanDerWaalsContact C-N 3.33Å; L177-R179 PolarHBondContact O-N 3.42Å; L177-A181 HydrophobicContact CD2-CB 4.13Å; L177-A181 CarbonylContact O-C 3.48Å; L177-A181 PolarHBondContact O-N 2.94Å; L177-K182 PolarHBondContact O-N 3.16Å; L177-C203 HydrophobicContact CB-CB 4.27Å; L177-C203 HydrophobicContact CD1-CB 3.98Å; L177-C203 HydrophobicContact CD2-CB 4.37Å; L177-C203 HydrophobicContact CG-CB 4.43Å; L177-L216 HydrophobicContact CD1-CD1 4.01Å; L177-F218 HydrophobicContact CD1-CE1 3.8Å; L177-F218 HydrophobicContact CD1-CZ 3.71Å; L177-F218 HydrophobicContact CD2-CE1 4.31Å
178Q94.4Very high95.3Very high51 Ų5147.1 Ų47.124%0.23824%0.241CC..Hα-helixtrans-69.8-25.5179.4-68.4-172.6-76.100113.9P21 Q174 F176 K182 F206P21-Q178 PolarHBondContact O-NE2 3.15Å; Q174-Q178 HydrophobicContact CG-CG 4.36Å; Q174-Q178 WeakPolarHBondContact O-CB 3.48Å; Q174-Q178 VanDerWaalsContact O-CG 3.32Å; Q174-Q178 WeakPolarHBondContact O-CG 3.37Å; Q174-Q178 PolarHBondContact O-N 2.77Å; F176-Q178 VanDerWaalsContact C-N 3.33Å; F176-Q178 PolarHBondContact O-N 3.32Å; Q178-K182 WeakPolarHBondContact O-CE 3.46Å; Q178-F206 HydrophobicContact CG-CZ 4.42Å
179R93.5Very high95.7Very high139 Ų13947.4 Ų47.453%0.52524%0.235SC..Hα-helixtrans-99.1-46-175.6-69.6175.1-174.8-179.85.6113.4N175 F176 L177 Y260N175-R179 VanDerWaalsContact O-CB 3.29Å; N175-R179 WeakPolarHBondContact O-CB 3.5Å; N175-R179 WeakPolarHBondContact O-CD 3.37Å; N175-R179 WeakPolarHBondContact O-CG 3.24Å; N175-R179 PolarHBondContact O-N 2.94Å; N175-R179 VanDerWaalsContact O-N 3.12Å; F176-R179 PolarHBondContact O-N 2.7Å; F176-R179 VanDerWaalsContact O-N 3.13Å; L177-R179 VanDerWaalsContact C-N 3.33Å; L177-R179 PolarHBondContact O-N 3.42Å; R179-Y260 WeakPolarHBondContact CD-OH 3.29Å
180A94.8Very high95.9Very high4 Ų446 Ų463%0.03323%0.232CC..THydrogen-bonded Turntrans-106.6-36.4-168.600000113.2F176 F254 K258 Y260F176-A180 HydrophobicContact CD2-CB 3.81Å; F176-A180 HydrophobicContact CE2-CB 3.68Å; F176-A180 PolarHBondContact O-N 3.47Å; A180-F254 WeakPolarHBondContact O-CZ 3.35Å; A180-K258 HydrophobicContact CB-CB 3.74Å; A180-K258 HydrophobicContact CB-CG 4.35Å; A180-Y260 HydrophobicContact CB-CD2 3.79Å; A180-Y260 HydrophobicContact CB-CE2 4.04Å
181A95.6Very high96.1Very high8 Ų853.3 Ų53.37%0.06626%0.263CS..  trans-108.534.6-170.100000114.2F176 L177 I200F176-A181 HydrophobicContact CE1-CB 3.92Å; F176-A181 HydrophobicContact CZ-CB 4Å; L177-A181 HydrophobicContact CD2-CB 4.13Å; L177-A181 CarbonylContact O-C 3.48Å; L177-A181 PolarHBondContact O-N 2.94Å; A181-I200 HydrophobicContact CB-CG2 3.54Å
182K94.6Very high96.3Very high99 Ų9954.8 Ų54.843%0.4327%0.271SS..  trans-59.4138.5169.2-60.7-177.7-179.8-177.10109.9C23 L177 Q178 A184 S185 V186C23-K182 PolarHBondContact O-NZ 3Å; L177-K182 PolarHBondContact O-N 3.16Å; Q178-K182 WeakPolarHBondContact O-CE 3.46Å; K182-A184 VanDerWaalsContact C-N 3.29Å; K182-A184 PolarHBondContact O-N 3.38Å; K182-S185 WeakPolarHBondContact O-CA 3.13Å; K182-S185 VanDerWaalsContact O-CB 3.24Å; K182-S185 WeakPolarHBondContact O-CB 3.3Å; K182-S185 PolarHBondContact O-N 2.86Å; K182-V186 PolarHBondContact O-N 2.91Å; K182-V186 VanDerWaalsContact O-N 3.11Å
183S94.4Very high96.3Very high54 Ų5455.1 Ų55.138%0.37827%0.273SS..Hα-helixtrans-51.6-45.1-176.9-46.30000113.1S185 V186 E187S183-S185 VanDerWaalsContact C-N 3.28Å; S183-S185 PolarHBondContact O-N 3.44Å; S183-V186 PolarHBondContact O-N 2.82Å; S183-V186 VanDerWaalsContact O-N 3.16Å; S183-E187 WeakPolarHBondContact O-CB 3.24Å; S183-E187 WeakPolarHBondContact O-CG 3.4Å; S183-E187 PolarHBondContact O-N 3.49Å
184A95.7Very high96.3Very high75 Ų7564.1 Ų64.162%0.6231%0.312SS*.Hα-helixtrans-61.5-33.1176.900000113.8K182 K188K182-A184 VanDerWaalsContact C-N 3.29Å; K182-A184 PolarHBondContact O-N 3.38Å; A184-K188 WeakPolarHBondContact O-CB 3.45Å; A184-K188 PolarHBondContact O-N 3.01Å; A184-K188 VanDerWaalsContact O-N 3.09Å
185S96.6Very high96.1Very high29 Ų2965.2 Ų65.220%0.20332%0.318CS..Hα-helixtrans-70.1-42.6176.2-176.30000110.9K182 S183 W189 K258K182-S185 WeakPolarHBondContact O-CA 3.13Å; K182-S185 VanDerWaalsContact O-CB 3.24Å; K182-S185 WeakPolarHBondContact O-CB 3.3Å; K182-S185 PolarHBondContact O-N 2.86Å; S183-S185 VanDerWaalsContact C-N 3.28Å; S183-S185 PolarHBondContact O-N 3.44Å; S185-W189 PolarHBondContact O-N 3.09Å; S185-W189 VanDerWaalsContact O-N 3.1Å; S185-K258 WeakPolarHBondContact OG-CE 3.45Å; S185-K258 PolarHBondContact OG-NZ 3.4Å
186V97.7Very high95.9Very high10 Ų1070 Ų706%0.06134%0.344CS..Hα-helixtrans-66-50177.4174.20000110.8K182 S183 K188 W189 I190 L198 I200 F254K182-V186 PolarHBondContact O-N 2.91Å; K182-V186 VanDerWaalsContact O-N 3.11Å; S183-V186 PolarHBondContact O-N 2.82Å; S183-V186 VanDerWaalsContact O-N 3.16Å; V186-K188 VanDerWaalsContact C-N 3.3Å; V186-K188 PolarHBondContact O-N 3.33Å; V186-W189 WeakPolarHBondContact O-CB 3.46Å; V186-W189 PolarHBondContact O-N 2.86Å; V186-I190 HydrophobicContact CG1-CD1 3.91Å; V186-I190 HydrophobicContact CG1-CG1 4.45Å; V186-I190 WeakPolarHBondContact O-CG1 3.17Å; V186-I190 PolarHBondContact O-N 3.02Å; V186-L198 HydrophobicContact CG1-CB 4.45Å; V186-L198 HydrophobicContact CG1-CD2 4.1Å; V186-I200 HydrophobicContact CG1-CB 4.44Å; V186-I200 HydrophobicContact CG2-CB 4.12Å; V186-I200 HydrophobicContact CG2-CG2 3.77Å; V186-F254 HydrophobicContact CG2-CE1 4.11Å; V186-F254 HydrophobicContact CG2-CE2 4.39Å; V186-F254 HydrophobicContact CG2-CZ 3.68Å
187E97.4Very high95.7Very high102 Ų10272.7 Ų72.748%0.47736%0.356SS..Hα-helixtrans-59.5-39.8177.5-73.2173.1-149.300112.6S183 W189 I190 K191S183-E187 WeakPolarHBondContact O-CB 3.24Å; S183-E187 WeakPolarHBondContact O-CG 3.4Å; S183-E187 PolarHBondContact O-N 3.49Å; E187-W189 VanDerWaalsContact C-N 3.34Å; E187-I190 PolarHBondContact O-N 2.78Å; E187-K191 WeakPolarHBondContact O-CG 3.31Å; E187-K191 PolarHBondContact O-N 2.91Å
188K98Very high95.7Very high125 Ų12572.6 Ų72.654%0.54336%0.355SS..Hα-helixtrans-61.2-44.7174.6179178.1175.2179.50110.8A184 V186 K191 Q192A184-K188 WeakPolarHBondContact O-CB 3.45Å; A184-K188 PolarHBondContact O-N 3.01Å; A184-K188 VanDerWaalsContact O-N 3.09Å; V186-K188 VanDerWaalsContact C-N 3.3Å; V186-K188 PolarHBondContact O-N 3.33Å; K188-K191 PolarHBondContact O-N 3.19Å; K188-Q192 HydrophobicContact CG-CG 4.36Å; K188-Q192 WeakPolarHBondContact O-CB 3.16Å; K188-Q192 VanDerWaalsContact O-CG 3.23Å; K188-Q192 WeakPolarHBondContact O-CG 3.34Å; K188-Q192 PolarHBondContact O-N 2.89Å
189W98.2Very high95.8Very high30 Ų3070.3 Ų70.311%0.11435%0.345CS..Hα-helixtrans-62.2-46.3177.6-177.8-91.1000112.2S185 V186 E187 K191 Q192 N193 L198 E253 F254 S257S185-W189 PolarHBondContact O-N 3.09Å; S185-W189 VanDerWaalsContact O-N 3.1Å; V186-W189 WeakPolarHBondContact O-CB 3.46Å; V186-W189 PolarHBondContact O-N 2.86Å; E187-W189 VanDerWaalsContact C-N 3.34Å; W189-K191 VanDerWaalsContact C-N 3.33Å; W189-K191 PolarHBondContact O-N 3.23Å; W189-Q192 PolarHBondContact O-N 3.47Å; W189-N193 PolarHBondContact NE1-ND2 3.27Å; W189-N193 WeakPolarHBondContact O-CB 3.45Å; W189-N193 PolarHBondContact O-N 2.86Å; W189-N193 PolarHBondContact O-ND2 2.87Å; W189-L198 HydrophobicContact CG-CD2 4.4Å; W189-E253 HydrophobicContact CH2-CG 4.1Å; W189-E253 HydrophobicContact CZ2-CB 4.33Å; W189-E253 HydrophobicContact CZ2-CG 3.83Å; W189-F254 HydrophobicContact CB-CD2 3.7Å; W189-F254 HydrophobicContact CB-CE2 3.89Å; W189-F254 AromaticContact CD1-CD2 3.97Å; W189-F254 HydrophobicContact CD2-CB 4.24Å; W189-F254 AromaticContact CD2-CD2 3.62Å; W189-F254 HydrophobicContact CD2-CD2 3.62Å; W189-F254 HydrophobicContact CD2-CG 4.42Å; W189-F254 HydrophobicContact CE3-CD2 4.01Å; W189-F254 HydrophobicContact CG-CB 4.42Å; W189-F254 AromaticContact CG-CD2 3.48Å; W189-F254 HydrophobicContact CG-CD2 3.48Å; W189-F254 VanDerWaalsContact CG-CD2 3.48Å; W189-F254 HydrophobicContact CG-CE2 4.19Å; W189-F254 HydrophobicContact CG-CG 4.36Å; W189-F254 HydrophobicContact CZ2-CB 4.32Å; W189-S257 WeakPolarHBondContact CZ3-OG 3.42Å
190I97.8Very high96.1Very high37 Ų3763.9 Ų63.919%0.1932%0.321CS..Hα-helixtrans-54.6-50.3176.9-70.5172.1000110.2V186 E187 K194 L195 L198V186-I190 HydrophobicContact CG1-CD1 3.91Å; V186-I190 HydrophobicContact CG1-CG1 4.45Å; V186-I190 WeakPolarHBondContact O-CG1 3.17Å; V186-I190 PolarHBondContact O-N 3.02Å; E187-I190 PolarHBondContact O-N 2.78Å; I190-K194 PolarHBondContact O-N 3.34Å; I190-L195 HydrophobicContact CG2-CB 4.33Å; I190-L195 WeakPolarHBondContact CG2-O 3.33Å; I190-L195 PolarHBondContact O-N 3.34Å; I190-L198 HydrophobicContact CD1-CB 3.92Å; I190-L198 HydrophobicContact CG1-CB 3.69Å
191K97.9Very high96.1Very high159 Ų15963.7 Ų63.769%0.69132%0.32SS*.Hα-helixtrans-63.1-43.4178.8-71.8170.9-178.1168.50112.7E187 K188 W189 K194E187-K191 WeakPolarHBondContact O-CG 3.31Å; E187-K191 PolarHBondContact O-N 2.91Å; K188-K191 PolarHBondContact O-N 3.19Å; W189-K191 VanDerWaalsContact C-N 3.33Å; W189-K191 PolarHBondContact O-N 3.23Å; K191-K194 PolarHBondContact O-N 3.16Å
192Q97.6Very high96.1Very high119 Ų11965.9 Ų65.956%0.55633%0.333SS*.Hα-helixtrans-67.5-38.8-178-75.4178.7-35.500112.6K188 W189K188-Q192 HydrophobicContact CG-CG 4.36Å; K188-Q192 WeakPolarHBondContact O-CB 3.16Å; K188-Q192 VanDerWaalsContact O-CG 3.23Å; K188-Q192 WeakPolarHBondContact O-CG 3.34Å; K188-Q192 PolarHBondContact O-N 2.89Å; W189-Q192 PolarHBondContact O-N 3.47Å
193N96.4Very high96.1Very high68 Ų6862.9 Ų62.936%0.36432%0.323SS..Hα-helixtrans-95.15.7-177.8-64.4-73.9000113.2W189 L195W189-N193 PolarHBondContact NE1-ND2 3.27Å; W189-N193 WeakPolarHBondContact O-CB 3.45Å; W189-N193 PolarHBondContact O-N 2.86Å; W189-N193 PolarHBondContact O-ND2 2.87Å; N193-L195 HydrophobicContact CB-CD1 4.21Å; N193-L195 HydrophobicContact CB-CG 3.98Å; N193-L195 PolarHBondContact O-N 2.8Å
194K95.5Very high96.1Very high190 Ų19062.9 Ų62.983%0.82632%0.321SS*.THydrogen-bonded Turntrans53.741.6178.8-52177.6-176.3174.80112.4I190 K191I190-K194 PolarHBondContact O-N 3.34Å; K191-K194 PolarHBondContact O-N 3.16Å
195L93.3Very high96.2Very high33 Ų3359.5 Ų59.517%0.17329%0.293CS..  trans-87.7147.2175-56.3176.9000109I190 N193 L198 D250I190-L195 HydrophobicContact CG2-CB 4.33Å; I190-L195 WeakPolarHBondContact CG2-O 3.33Å; I190-L195 PolarHBondContact O-N 3.34Å; N193-L195 HydrophobicContact CB-CD1 4.21Å; N193-L195 HydrophobicContact CB-CG 3.98Å; N193-L195 PolarHBondContact O-N 2.8Å; L195-L198 HydrophobicContact CD1-CD1 4.03Å; L195-D250 HydrophobicContact CD1-CB 4.43Å
196D91.3Very high96.2Very high128 Ų12860 Ų6068%0.68429%0.292SS*.SBendtrans-76.5-31.1168.3-75.7-9.9000111K277D196-K277 IonicContact OD2-NZ 2.83Å; D196-K277 PolarHBondContact OD2-NZ 2.9Å
197F92.7Very high96.1Very high58 Ų5859.5 Ų59.525%0.25429%0.289SS..  trans-157.1149.8-171.6170-98.4000110.1Q279 V280 Y281F197-Q279 HydrophobicContact CD2-CG 4.25Å; F197-Q279 HydrophobicContact CE1-CB 4.1Å; F197-Q279 HydrophobicContact CE2-CB 4.13Å; F197-Q279 HydrophobicContact CE2-CG 4.08Å; F197-Q279 HydrophobicContact CZ-CB 3.8Å; F197-Q279 HydrophobicContact CZ-CG 4.23Å; F197-V280 WeakPolarHBondContact CE1-O 3.42Å; F197-Y281 HydrophobicContact CE2-CD1 4.47Å; F197-Y281 AromaticContact CE2-CE1 3.66Å; F197-Y281 HydrophobicContact CE2-CE1 3.66Å; F197-Y281 HydrophobicContact CE2-CE2 4.47Å; F197-Y281 AromaticContact CE2-CZ 3.66Å; F197-Y281 AromaticContact CZ-CD1 3.89Å; F197-Y281 HydrophobicContact CZ-CD1 3.89Å; F197-Y281 HydrophobicContact CZ-CD2 4.39Å; F197-Y281 AromaticContact CZ-CE1 3.51Å; F197-Y281 HydrophobicContact CZ-CE1 3.51Å; F197-Y281 HydrophobicContact CZ-CE2 4.04Å; F197-Y281 HydrophobicContact CZ-CG 4.32Å; F197-Y281 AromaticContact CZ-CZ 3.58Å
198L96.9Very high96.1Very high6 Ų657.9 Ų57.93%0.03128%0.283CS..  trans-131.8127.9170.4-175.172.5000109V186 W189 I190 L195 I200 D250 V251 F254V186-L198 HydrophobicContact CG1-CB 4.45Å; V186-L198 HydrophobicContact CG1-CD2 4.1Å; W189-L198 HydrophobicContact CG-CD2 4.4Å; I190-L198 HydrophobicContact CD1-CB 3.92Å; I190-L198 HydrophobicContact CG1-CB 3.69Å; L195-L198 HydrophobicContact CD1-CD1 4.03Å; L198-I200 HydrophobicContact CD2-CG1 3.7Å; L198-I200 HydrophobicContact CG-CG1 3.98Å; L198-I200 PolarHBondContact O-N 2.87Å; L198-D250 HydrophobicContact CD1-CB 3.88Å; L198-D250 WeakPolarHBondContact CD1-O 3.28Å; L198-V251 HydrophobicContact CD1-CG2 4.17Å; L198-V251 HydrophobicContact CG-CG2 4.49Å; L198-F254 HydrophobicContact CD1-CB 4.47Å; L198-F254 HydrophobicContact CD2-CB 3.83Å; L198-F254 HydrophobicContact CD2-CD1 4.05Å; L198-F254 HydrophobicContact CD2-CD2 3.97Å; L198-F254 HydrophobicContact CD2-CG 3.67Å
199G97.1Very high96Very high3 Ų353.2 Ų53.23%0.03126%0.264CS..  trans-71.138.3-175.400000116.4V280 Y281 L282G199-V280 WeakPolarHBondContact CA-O 3.29Å; G199-Y281 WeakPolarHBondContact O-CA 3.49Å; G199-L282 PolarHBondContact O-N 3.01Å
200I97.9Very high95.7Very high4 Ų455 Ų552%0.02128%0.284CS..  trans-94.1117.2173.5-65.7-70.3000108.8A181 V186 L198 T202 V251 F254 I255 Y285A181-I200 HydrophobicContact CB-CG2 3.54Å; V186-I200 HydrophobicContact CG1-CB 4.44Å; V186-I200 HydrophobicContact CG2-CB 4.12Å; V186-I200 HydrophobicContact CG2-CG2 3.77Å; L198-I200 HydrophobicContact CD2-CG1 3.7Å; L198-I200 HydrophobicContact CG-CG1 3.98Å; L198-I200 PolarHBondContact O-N 2.87Å; I200-T202 PolarHBondContact O-N 3.24Å; I200-V251 HydrophobicContact CD1-CG1 3.56Å; I200-V251 HydrophobicContact CG1-CG1 4.28Å; I200-F254 HydrophobicContact CD1-CD1 3.6Å; I200-F254 HydrophobicContact CD1-CE1 3.87Å; I200-F254 HydrophobicContact CG1-CD1 3.63Å; I200-F254 HydrophobicContact CG1-CE1 3.79Å; I200-I255 HydrophobicContact CD1-CG2 3.63Å; I200-Y285 WeakPolarHBondContact CD1-OH 3.3Å
201P96.1Very high95.2Very high1 Ų158.7 Ų58.71%0.00631%0.305CS..  trans-58.2130.4176.1-2534000111.7C203 F218 M221 L282 Y285P201-C203 PolarHBondContact O-N 3.37Å; P201-F218 HydrophobicContact CB-CD1 3.61Å; P201-F218 HydrophobicContact CB-CE1 3.8Å; P201-M221 HydrophobicContact CB-CE 4.35Å; P201-M221 HydrophobicContact CB-SD 3.64Å; P201-M221 HydrophobicContact CG-CE 4.27Å; P201-M221 HydrophobicContact CG-SD 3.64Å; P201-L282 WeakPolarHBondContact CD-O 3.4Å; P201-L282 WeakPolarHBondContact CG-O 3.35Å; P201-Y285 HydrophobicContact CG-CE2 4.4Å
202T94.4Very high94.9Very high54 Ų5455.3 Ų55.333%0.33129%0.294SS..  trans-86.6111.8175.3-62.60000109.6I200 V204 P219I200-T202 PolarHBondContact O-N 3.24Å; T202-V204 HydrophobicContact CG2-CG1 4.08Å; T202-V204 PolarHBondContact O-N 3.15Å; T202-P219 WeakPolarHBondContact O-CD 3.29Å
203C95.6Very high94.7Very high35 Ų3550.5 Ų50.524%0.23627%0.271CS..  trans-75.3107.7173.8-169.60000109.7L177 P201 G205 I217 F218L177-C203 HydrophobicContact CB-CB 4.27Å; L177-C203 HydrophobicContact CD1-CB 3.98Å; L177-C203 HydrophobicContact CD2-CB 4.37Å; L177-C203 HydrophobicContact CG-CB 4.43Å; P201-C203 PolarHBondContact O-N 3.37Å; C203-G205 PolarHBondContact SG-O 3.16Å; C203-I217 CarbonylContact C-O 3.6Å; C203-I217 WeakPolarHBondContact CA-O 3.16Å; C203-F218 HydrophobicContact CB-CD1 4.47Å; C203-F218 HydrophobicContact CB-CE1 4.01Å
204V95.2Very high94.7Very high54 Ų5448.5 Ų48.533%0.32726%0.258SS..  trans-94.1-12.9-177.5-63.90000113.5W132 T202 I217 P219W132-V204 HydrophobicContact CH2-CG2 4.12Å; W132-V204 HydrophobicContact CZ2-CG2 4.35Å; T202-V204 HydrophobicContact CG2-CG1 4.08Å; T202-V204 PolarHBondContact O-N 3.15Å; V204-I217 HydrophobicContact CG2-CB 4.05Å; V204-I217 HydrophobicContact CG2-CG2 3.7Å; V204-I217 WeakPolarHBondContact CG2-O 3.39Å; V204-I217 PolarHBondContact N-O 3.24Å; V204-P219 HydrophobicContact CG1-CG 4Å
205G95.8Very high94.8Very high4 Ų439.4 Ų39.44%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-162.3153.617600000110.7C203 I217C203-G205 PolarHBondContact SG-O 3.16Å; G205-I217 PolarHBondContact O-N 3.45Å
206F97.3Very high95Very high39 Ų3937.9 Ų37.917%0.17121%0.21CC..EExtended strand (participates in β ladder)trans-157.6155.7171.863.6-83.1000109.9D126 Q127 Q174 Q178 F215 L216D126-F206 WeakPolarHBondContact CB-O 3.36Å; Q127-F206 HydrophobicContact CG-CD2 4.3Å; Q127-F206 HydrophobicContact CG-CE2 4.09Å; Q127-F206 WeakPolarHBondContact CG-O 3.45Å; Q127-F206 PolarHBondContact N-O 3.12Å; Q127-F206 VanDerWaalsContact OE1-CZ 3.29Å; Q174-F206 HydrophobicContact CG-CD2 4Å; Q174-F206 HydrophobicContact CG-CE2 4.45Å; Q174-F206 HydrophobicContact CG-CG 4.34Å; Q174-F206 VanDerWaalsContact NE2-CD2 3.33Å; Q174-F206 VanDerWaalsContact NE2-CE2 3.27Å; Q178-F206 HydrophobicContact CG-CZ 4.42Å; F206-F215 VanDerWaalsContact CA-O 3.23Å; F206-F215 WeakPolarHBondContact CA-O 3.36Å; F206-F215 WeakPolarHBondContact CB-O 3.44Å; F206-L216 HydrophobicContact CB-CD2 3.6Å
207G96.8Very high95.3Very high1 Ų131.8 Ų31.81%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-172.6-174.4-177.500000114.2R214 F215G207-R214 WeakPolarHBondContact O-CA 3.4Å; G207-F215 VanDerWaalsContact C-CD1 3.48Å; G207-F215 VanDerWaalsContact CA-CE1 3.43Å; G207-F215 PolarHBondContact N-O 2.7Å; G207-F215 WeakPolarHBondContact O-CD1 3.37Å; G207-F215 PolarHBondContact O-N 2.83Å
208L96.6Very high95.5Very high67 Ų6729 Ų2935%0.35117%0.166SC..EExtended strand (participates in β ladder)trans-112.6145.2170.1-62.5-179.9000108.3K166 Y213 R214K166-L208 HydrophobicContact CD-CD1 4.46Å; K166-L208 HydrophobicContact CD-CD2 4.41Å; K166-L208 HydrophobicContact CG-CD2 3.98Å; L208-Y213 CarbonylContact C-O 3.59Å; L208-Y213 VanDerWaalsContact CA-O 3.27Å; L208-Y213 WeakPolarHBondContact CA-O 3.39Å; L208-R214 HydrophobicContact CD2-CB 3.94Å; L208-R214 HydrophobicContact CD2-CG 4.27Å
209H95.4Very high95.4Very high28 Ų2831.1 Ų31.113%0.1318%0.18CC..EExtended strand (participates in β ladder)trans-131135.2175.6-179.977.5000110.5E122 L124 D211 L212 Y213 F215E122-H209 IonicContact OE1-CE1 3.65Å; E122-H209 PolarHBondContact OE1-CE1 3.16Å; E122-H209 VanDerWaalsContact OE1-CE1 3.27Å; E122-H209 IonicContact OE1-NE2 3.27Å; L124-H209 HydrophobicContact CD2-CB 3.71Å; L124-H209 HydrophobicContact CG-CB 4.11Å; H209-D211 PolarHBondContact O-N 3.3Å; H209-L212 PolarHBondContact O-N 3.45Å; H209-L212 VanDerWaalsContact O-N 3.1Å; H209-Y213 PolarHBondContact N-O 3.25Å; H209-Y213 PolarHBondContact O-N 2.93Å; H209-F215 HydrophobicContact CB-CD1 4.26Å; H209-F215 HydrophobicContact CB-CE1 4.39Å
210A91.6Very high95.2Very high66 Ų6633.6 Ų33.655%0.54519%0.192SC..THydrogen-bonded Turntrans50.221.8-177.900000115L212A210-L212 WeakPolarHBondContact O-CG 3.24Å; A210-L212 PolarHBondContact O-N 2.97Å
211D88.1Confident95Very high116 Ų11633.6 Ų33.662%0.6219%0.192SC*.THydrogen-bonded Turntrans54.610-171.2-91.3-44.4000116.3K166 H209K166-D211 WeakPolarHBondContact CD-O 3.23Å; K166-D211 PolarHBondContact NZ-O 2.65Å; K166-D211 IonicContact NZ-OD1 3.35Å; K166-D211 PolarHBondContact NZ-OD1 3.5Å; H209-D211 PolarHBondContact O-N 3.3Å
212L90.8Very high94.9Very high88 Ų8834.8 Ų34.846%0.46120%0.204SC..THydrogen-bonded Turntrans-111.7-28.7-177.9-69174000112K166 H209 A210K166-L212 VanDerWaalsContact CB-O 3.28Å; K166-L212 WeakPolarHBondContact CB-O 3.41Å; K166-L212 PolarHBondContact N-O 2.97Å; H209-L212 PolarHBondContact O-N 3.45Å; H209-L212 VanDerWaalsContact O-N 3.1Å; A210-L212 WeakPolarHBondContact O-CG 3.24Å; A210-L212 PolarHBondContact O-N 2.97Å
213Y94.3Very high94.8Very high17 Ų1735 Ų357%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-119.8150.8-172.6-54.3-82.9000111.6F114 K115 L118 L163 G164 L208 H209F114-Y213 HydrophobicContact CD1-CE1 4.47Å; F114-Y213 HydrophobicContact CE1-CD1 4.3Å; F114-Y213 AromaticContact CE1-CE1 3.7Å; F114-Y213 HydrophobicContact CE1-CE1 3.7Å; F114-Y213 AromaticContact CE2-CD1 3.97Å; F114-Y213 HydrophobicContact CE2-CD1 3.97Å; F114-Y213 HydrophobicContact CE2-CE1 4.08Å; F114-Y213 AromaticContact CZ-CD1 3.63Å; F114-Y213 HydrophobicContact CZ-CD1 3.63Å; F114-Y213 AromaticContact CZ-CE1 3.5Å; F114-Y213 HydrophobicContact CZ-CE1 3.5Å; K115-Y213 WeakPolarHBondContact CB-OH 3.39Å; L118-Y213 HydrophobicContact CD2-CE2 3.9Å; L163-Y213 HydrophobicContact CD1-CD1 4.44Å; L163-Y213 HydrophobicContact CD1-CG 4.17Å; L163-Y213 HydrophobicContact CD2-CD1 4.09Å; L163-Y213 HydrophobicContact CD2-CE1 4.5Å; L163-Y213 HydrophobicContact CD2-CG 4.33Å; L163-Y213 HydrophobicContact CG-CD1 4.08Å; L163-Y213 HydrophobicContact CG-CG 4.3Å; G164-Y213 WeakPolarHBondContact O-CA 3.28Å; L208-Y213 CarbonylContact C-O 3.59Å; L208-Y213 VanDerWaalsContact CA-O 3.27Å; L208-Y213 WeakPolarHBondContact CA-O 3.39Å; H209-Y213 PolarHBondContact N-O 3.25Å; H209-Y213 PolarHBondContact O-N 2.93Å
214R96.3Very high94.7Very high26 Ų2634.1 Ų34.110%0.09820%0.202CC..EExtended strand (participates in β ladder)trans-114.3140.6164178.2179.3-55.7-91.7-2.9107.5G164 K166 I170 Q174 G207 L208G164-R214 PolarHBondContact N-O 2.82Å; G164-R214 PolarHBondContact O-N 3.34Å; G164-R214 VanDerWaalsContact O-O 3.13Å; K166-R214 PolarHBondContact O-NE 2.96Å; K166-R214 PolarHBondContact O-NH2 3.41Å; I170-R214 HydrophobicContact CG2-CB 3.86Å; I170-R214 HydrophobicContact CG2-CG 4.17Å; Q174-R214 VanDerWaalsContact CD-NH1 3.32Å; Q174-R214 VanDerWaalsContact OE1-CD 3.3Å; G207-R214 WeakPolarHBondContact O-CA 3.4Å; L208-R214 HydrophobicContact CD2-CB 3.94Å; L208-R214 HydrophobicContact CD2-CG 4.27Å
215F97.2Very high94.7Very high0 Ų031.5 Ų31.50%019%0.187CC..EExtended strand (participates in β ladder)trans-132.715417869.5-89.5000112.4L124 T125 D126 L161 K162 L163 F206 G207 H209 I217L124-F215 HydrophobicContact CB-CD1 4.48Å; L124-F215 HydrophobicContact CB-CE1 4.04Å; L124-F215 HydrophobicContact CB-CE2 4.47Å; L124-F215 HydrophobicContact CB-CZ 4.02Å; L124-F215 HydrophobicContact CD2-CB 4.32Å; L124-F215 HydrophobicContact CD2-CD1 3.73Å; L124-F215 HydrophobicContact CD2-CE1 4.11Å; L124-F215 HydrophobicContact CD2-CG 3.99Å; T125-F215 WeakPolarHBondContact O-CZ 3.36Å; D126-F215 HydrophobicContact CB-CE2 4.07Å; D126-F215 HydrophobicContact CB-CZ 4.05Å; L161-F215 HydrophobicContact CD1-CB 4.31Å; L161-F215 HydrophobicContact CD1-CD2 3.97Å; L161-F215 HydrophobicContact CD1-CG 4.31Å; L161-F215 HydrophobicContact CD2-CB 3.91Å; L161-F215 HydrophobicContact CG-CB 4.09Å; L161-F215 HydrophobicContact CG-CD2 4.31Å; K162-F215 CarbonylContact O-C 3.49Å; K162-F215 WeakPolarHBondContact O-CA 3.45Å; L163-F215 HydrophobicContact CD1-CB 3.71Å; F206-F215 VanDerWaalsContact CA-O 3.23Å; F206-F215 WeakPolarHBondContact CA-O 3.36Å; F206-F215 WeakPolarHBondContact CB-O 3.44Å; G207-F215 VanDerWaalsContact C-CD1 3.48Å; G207-F215 VanDerWaalsContact CA-CE1 3.43Å; G207-F215 PolarHBondContact N-O 2.7Å; G207-F215 WeakPolarHBondContact O-CD1 3.37Å; G207-F215 PolarHBondContact O-N 2.83Å; H209-F215 HydrophobicContact CB-CD1 4.26Å; H209-F215 HydrophobicContact CB-CE1 4.39Å; F215-I217 HydrophobicContact CD2-CD1 3.75Å; F215-I217 HydrophobicContact CD2-CG1 3.99Å; F215-I217 HydrophobicContact CE2-CD1 3.98Å; F215-I217 HydrophobicContact CE2-CG1 4Å
216L97.7Very high94.6Very high0 Ų034.2 Ų34.20%020%0.198CC..EExtended strand (participates in β ladder)trans-129.6138.9176.2-57.6174.4000108.5L161 K162 I170 E173 Q174 L177 F206 F218L161-L216 CarbonylContact C-O 3.53Å; L161-L216 WeakPolarHBondContact CA-O 3.36Å; K162-L216 HydrophobicContact CB-CB 4.41Å; K162-L216 PolarHBondContact N-O 3.04Å; K162-L216 PolarHBondContact O-N 3.43Å; I170-L216 HydrophobicContact CD1-CD1 4.14Å; I170-L216 HydrophobicContact CD1-CG 4.09Å; I170-L216 HydrophobicContact CG1-CD1 3.77Å; I170-L216 HydrophobicContact CG1-CG 4.06Å; E173-L216 HydrophobicContact CB-CD1 4.09Å; E173-L216 HydrophobicContact CG-CD1 3.55Å; Q174-L216 HydrophobicContact CB-CD2 3.9Å; Q174-L216 HydrophobicContact CG-CD2 3.88Å; L177-L216 HydrophobicContact CD1-CD1 4.01Å; F206-L216 HydrophobicContact CB-CD2 3.6Å; L216-F218 HydrophobicContact CB-CD2 4.42Å; L216-F218 HydrophobicContact CB-CE2 3.46Å; L216-F218 VanDerWaalsContact CB-CE2 3.46Å; L216-F218 HydrophobicContact CB-CZ 3.76Å; L216-F218 HydrophobicContact CD1-CE2 4.3Å; L216-F218 HydrophobicContact CD1-CZ 4.03Å
217I97.4Very high94.4Very high0 Ų035 Ų350%021%0.209CC..EExtended strand (participates in β ladder)trans-113.5129.8179.5-47.6-68.1000109.2W132 V149 H159 I160 L161 C203 V204 G205 F215W132-I217 HydrophobicContact CB-CD1 4.32Å; W132-I217 HydrophobicContact CD2-CD1 4.09Å; W132-I217 HydrophobicContact CD2-CG1 4.12Å; W132-I217 HydrophobicContact CD2-CG2 4.1Å; W132-I217 HydrophobicContact CE3-CG2 4.01Å; W132-I217 HydrophobicContact CG-CD1 3.93Å; W132-I217 HydrophobicContact CG-CG1 4.22Å; W132-I217 HydrophobicContact CH2-CG2 3.59Å; W132-I217 HydrophobicContact CZ2-CB 4.25Å; W132-I217 HydrophobicContact CZ2-CG1 4.27Å; W132-I217 HydrophobicContact CZ2-CG2 3.72Å; W132-I217 HydrophobicContact CZ3-CG2 3.78Å; V149-I217 HydrophobicContact CG2-CD1 4.4Å; V149-I217 HydrophobicContact CG2-CG2 4.46Å; H159-I217 HydrophobicContact CB-CG2 4.12Å; I160-I217 WeakPolarHBondContact O-CA 3.37Å; L161-I217 HydrophobicContact CB-CD1 3.74Å; L161-I217 HydrophobicContact CD1-CD1 3.37Å; L161-I217 HydrophobicContact CG-CD1 3.54Å; C203-I217 CarbonylContact C-O 3.6Å; C203-I217 WeakPolarHBondContact CA-O 3.16Å; V204-I217 HydrophobicContact CG2-CB 4.05Å; V204-I217 HydrophobicContact CG2-CG2 3.7Å; V204-I217 WeakPolarHBondContact CG2-O 3.39Å; V204-I217 PolarHBondContact N-O 3.24Å; G205-I217 PolarHBondContact O-N 3.45Å; F215-I217 HydrophobicContact CD2-CD1 3.75Å; F215-I217 HydrophobicContact CD2-CG1 3.99Å; F215-I217 HydrophobicContact CE2-CD1 3.98Å; F215-I217 HydrophobicContact CE2-CG1 4Å
218F96.8Very high94.1Very high1 Ų135 Ų350%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-126.1150175.3-53.9-86.7000109.4H159 I160 K162 L177 P201 C203 L216H159-F218 CarbonylContact C-O 3.58Å; H159-F218 VanDerWaalsContact CA-O 3.28Å; H159-F218 WeakPolarHBondContact CA-O 3.37Å; H159-F218 WeakPolarHBondContact CB-O 3.43Å; I160-F218 HydrophobicContact CD1-CB 4.28Å; I160-F218 HydrophobicContact CG1-CB 3.84Å; I160-F218 HydrophobicContact CG1-CD2 4.47Å; I160-F218 PolarHBondContact N-O 3.06Å; I160-F218 PolarHBondContact O-N 2.93Å; K162-F218 HydrophobicContact CB-CE2 4.32Å; K162-F218 HydrophobicContact CD-CD2 4.05Å; K162-F218 HydrophobicContact CD-CE2 3.44Å; K162-F218 VanDerWaalsContact CD-CE2 3.44Å; K162-F218 HydrophobicContact CD-CZ 4.25Å; K162-F218 HydrophobicContact CG-CD2 4Å; K162-F218 HydrophobicContact CG-CE2 3.69Å; L177-F218 HydrophobicContact CD1-CE1 3.8Å; L177-F218 HydrophobicContact CD1-CZ 3.71Å; L177-F218 HydrophobicContact CD2-CE1 4.31Å; P201-F218 HydrophobicContact CB-CD1 3.61Å; P201-F218 HydrophobicContact CB-CE1 3.8Å; C203-F218 HydrophobicContact CB-CD1 4.47Å; C203-F218 HydrophobicContact CB-CE1 4.01Å; L216-F218 HydrophobicContact CB-CD2 4.42Å; L216-F218 HydrophobicContact CB-CE2 3.46Å; L216-F218 VanDerWaalsContact CB-CE2 3.46Å; L216-F218 HydrophobicContact CB-CZ 3.76Å; L216-F218 HydrophobicContact CD1-CE2 4.3Å; L216-F218 HydrophobicContact CD1-CZ 4.03Å
219P95.1Very high93.9Very high50 Ų5033.3 Ų33.333%0.32520%0.2SC..EExtended strand (participates in β ladder)trans-54.9152.2159.8-2133.2000109.9T202 V204 M221T202-P219 WeakPolarHBondContact O-CD 3.29Å; V204-P219 HydrophobicContact CG1-CG 4Å; P219-M221 WeakPolarHBondContact O-CG 3.45Å; P219-M221 PolarHBondContact O-N 3.12Å
220D93.1Very high93.7Very high55 Ų5538 Ų3829%0.29422%0.221SC..  trans-52.9123.8174.816345.1000111.2D158 G222 K273D158-D220 WeakPolarHBondContact O-CB 3.41Å; D158-D220 PolarHBondContact O-N 3.02Å; D220-G222 PolarHBondContact OD1-N 3.46Å; D220-K273 WeakPolarHBondContact O-CD 3.19Å; D220-K273 PolarHBondContact O-NZ 2.81Å; D220-K273 VanDerWaalsContact OD2-CE 3.29Å; D220-K273 WeakPolarHBondContact OD2-CE 3.11Å; D220-K273 IonicContact OD2-NZ 3.81Å; D220-K273 PolarHBondContact OD2-NZ 3.3Å
221M94.1Very high93.5Very high4 Ų441.8 Ų41.82%0.0223%0.228CC..  trans-104.23.2-179.1-59.5-165.6-71.900112.9I160 P201 P219 Y271 V272 K273 Y281I160-M221 HydrophobicContact CD1-CB 4.43Å; I160-M221 HydrophobicContact CD1-CE 3.68Å; I160-M221 HydrophobicContact CD1-CG 4.22Å; P201-M221 HydrophobicContact CB-CE 4.35Å; P201-M221 HydrophobicContact CB-SD 3.64Å; P201-M221 HydrophobicContact CG-CE 4.27Å; P201-M221 HydrophobicContact CG-SD 3.64Å; P219-M221 WeakPolarHBondContact O-CG 3.45Å; P219-M221 PolarHBondContact O-N 3.12Å; M221-Y271 HydrophobicContact CB-CD1 4.41Å; M221-Y271 HydrophobicContact CB-CG 4.12Å; M221-Y271 HydrophobicContact CE-CD1 4.43Å; M221-Y271 HydrophobicContact CE-CD2 3.78Å; M221-Y271 HydrophobicContact CE-CE2 3.94Å; M221-Y271 HydrophobicContact CE-CG 4.04Å; M221-V272 CarbonylContact O-C 3.6Å; M221-K273 PolarHBondContact O-N 2.99Å; M221-Y281 HydrophobicContact CB-CD2 3.84Å; M221-Y281 HydrophobicContact CB-CE2 4.29Å; M221-Y281 HydrophobicContact CB-CG 4.23Å; M221-Y281 HydrophobicContact CG-CD1 4.43Å; M221-Y281 HydrophobicContact CG-CD2 4.1Å; M221-Y281 HydrophobicContact CG-CE2 4.43Å; M221-Y281 HydrophobicContact CG-CG 4.11Å; M221-Y281 HydrophobicContact SD-CD1 4.01Å; M221-Y281 HydrophobicContact SD-CD2 4.35Å; M221-Y281 HydrophobicContact SD-CG 3.78Å
222G93.2Very high93.3Very high25 Ų2539.4 Ų39.426%0.25821%0.213SC..  trans76.9-155.6-171.800000113.1D220 V272D220-G222 PolarHBondContact OD1-N 3.46Å; G222-V272 WeakPolarHBondContact CA-O 3.05Å
223S92.6Very high92.8Very high58 Ų5842.3 Ų42.341%0.40623%0.229SC..EExtended strand (participates in β ladder)trans-86.6149.7-175.4-56.70000111.9Y271 V272S223-Y271 CarbonylContact O-C 3.52Å; S223-Y271 WeakPolarHBondContact O-CA 3.26Å; S223-V272 PolarHBondContact N-O 3.22Å; S223-V272 PolarHBondContact O-N 2.87Å
224S94.2Very high92.3Very high17 Ų1747.9 Ų47.912%0.11926%0.256CS..EExtended strand (participates in β ladder)trans-64149.5169.383.20000110.5Q226 S227 I228 I270S224-Q226 PolarHBondContact O-N 2.82Å; S224-S227 PolarHBondContact O-N 3.36Å; S224-S227 WeakPolarHBondContact OG-CB 3.47Å; S224-S227 PolarHBondContact OG-N 2.95Å; S224-S227 PolarHBondContact OG-OG 3.25Å; S224-I228 WeakPolarHBondContact O-CD1 3.25Å; S224-I228 VanDerWaalsContact O-CG1 3.28Å; S224-I228 WeakPolarHBondContact O-CG1 3.48Å; S224-I228 PolarHBondContact O-N 3.13Å; S224-I228 VanDerWaalsContact O-N 3.12Å; S224-I270 CarbonylContact C-O 3.12Å; S224-I270 VanDerWaalsContact CA-O 3.29Å; S224-I270 WeakPolarHBondContact CA-O 3.48Å
225L95.3Very high92Very high0 Ų050.7 Ų50.70%027%0.272CS..Hα-helixtrans-62.1-34.4175.4-177.564.6000110.4I228 L229 L236 L244 A267 I270 W341 L427L225-I228 PolarHBondContact O-N 3.27Å; L225-L229 HydrophobicContact CD1-CG 4.48Å; L225-L229 HydrophobicContact CG-CD1 4.15Å; L225-L229 HydrophobicContact CG-CG 4.39Å; L225-L229 WeakPolarHBondContact O-CG 3.41Å; L225-L229 PolarHBondContact O-N 3.33Å; L225-L236 HydrophobicContact CD1-CD1 4.26Å; L225-L244 HydrophobicContact CD1-CD1 4.19Å; L225-L244 HydrophobicContact CD2-CD1 3.83Å; L225-A267 HydrophobicContact CB-CB 4.1Å; L225-A267 WeakPolarHBondContact CB-O 3.31Å; L225-A267 HydrophobicContact CD2-CB 4.23Å; L225-A267 HydrophobicContact CG-CB 4.16Å; L225-A267 PolarHBondContact N-O 2.91Å; L225-I270 HydrophobicContact CB-CB 4.02Å; L225-I270 HydrophobicContact CB-CG2 4.03Å; L225-I270 HydrophobicContact CD2-CB 4.43Å; L225-I270 HydrophobicContact CD2-CD1 4.23Å; L225-I270 HydrophobicContact CD2-CG2 4.26Å; L225-I270 PolarHBondContact N-O 2.91Å; L225-W341 HydrophobicContact CD2-CD2 4.13Å; L225-W341 HydrophobicContact CD2-CH2 4.23Å; L225-W341 HydrophobicContact CD2-CZ2 3.76Å; L225-L427 HydrophobicContact CD1-CD1 4.3Å
226Q93.6Very high91.9Very high60 Ų6051.2 Ų51.228%0.2828%0.275SS..Hα-helixtrans-59.4-51.6175.4-175.662.628.800111.1S224 I228 L229 E230 A267 E268S224-Q226 PolarHBondContact O-N 2.82Å; Q226-I228 VanDerWaalsContact C-N 3.26Å; Q226-I228 PolarHBondContact O-N 3.12Å; Q226-L229 PolarHBondContact O-N 3.24Å; Q226-L229 VanDerWaalsContact O-N 3.11Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.43Å; Q226-E230 PolarHBondContact NE2-OE1 3.34Å; Q226-E230 WeakPolarHBondContact O-CG 3.48Å; Q226-E230 PolarHBondContact O-N 3.28Å; Q226-A267 HydrophobicContact CB-CB 3.94Å; Q226-A267 PolarHBondContact N-O 2.78Å; Q226-A267 VanDerWaalsContact N-O 3.07Å; Q226-E268 HydrophobicContact CB-CG 3.98Å; Q226-E268 HydrophobicContact CG-CG 4.03Å
227S91.9Very high91.7Very high56 Ų5653.3 Ų53.339%0.39229%0.29SS..Hα-helixtrans-60.1-38178.6-51.80000111.9S224 E230 E231S224-S227 PolarHBondContact O-N 3.36Å; S224-S227 WeakPolarHBondContact OG-CB 3.47Å; S224-S227 PolarHBondContact OG-N 2.95Å; S224-S227 PolarHBondContact OG-OG 3.25Å; S227-E230 PolarHBondContact O-N 2.88Å; S227-E231 WeakPolarHBondContact O-CB 3.49Å; S227-E231 PolarHBondContact O-N 3.14Å
228I91.8Very high91.6Very high2 Ų254.4 Ų54.41%0.0130%0.295CS..Hα-helixtrans-64.4-43.4176.2-64.4158.5000111S224 L225 Q226 E230 E232 V272 I429S224-I228 WeakPolarHBondContact O-CD1 3.25Å; S224-I228 VanDerWaalsContact O-CG1 3.28Å; S224-I228 WeakPolarHBondContact O-CG1 3.48Å; S224-I228 PolarHBondContact O-N 3.13Å; S224-I228 VanDerWaalsContact O-N 3.12Å; L225-I228 PolarHBondContact O-N 3.27Å; Q226-I228 VanDerWaalsContact C-N 3.26Å; Q226-I228 PolarHBondContact O-N 3.12Å; I228-E230 VanDerWaalsContact C-N 3.32Å; I228-E230 PolarHBondContact O-N 3.17Å; I228-E232 HydrophobicContact CG2-CG 4.44Å; I228-E232 WeakPolarHBondContact O-CB 3.12Å; I228-E232 VanDerWaalsContact O-CG 3.25Å; I228-E232 WeakPolarHBondContact O-CG 3.49Å; I228-E232 PolarHBondContact O-N 3.07Å; I228-E232 VanDerWaalsContact O-N 3.16Å; I228-V272 HydrophobicContact CD1-CB 3.8Å; I228-V272 HydrophobicContact CD1-CG2 4.03Å; I228-I429 HydrophobicContact CD1-CD1 3.25Å; I228-I429 HydrophobicContact CD1-CG1 4.2Å; I228-I429 HydrophobicContact CG1-CD1 3.73Å; I228-I429 HydrophobicContact CG1-CG1 4.39Å; I228-I429 HydrophobicContact CG2-CD1 4.5Å; I228-I429 HydrophobicContact CG2-CG1 4.33Å; I228-I429 HydrophobicContact CG2-CG2 4.48Å
229L91.7Very high91.5Very high31 Ų3157.7 Ų57.716%0.16231%0.309CS..Hα-helixtrans-65.5-36.8178.5-68.8171000112.1L225 Q226 N233 L236 A267L225-L229 HydrophobicContact CD1-CG 4.48Å; L225-L229 HydrophobicContact CG-CD1 4.15Å; L225-L229 HydrophobicContact CG-CG 4.39Å; L225-L229 WeakPolarHBondContact O-CG 3.41Å; L225-L229 PolarHBondContact O-N 3.33Å; Q226-L229 PolarHBondContact O-N 3.24Å; Q226-L229 VanDerWaalsContact O-N 3.11Å; L229-N233 PolarHBondContact O-N 2.69Å; L229-N233 VanDerWaalsContact O-N 3.14Å; L229-L236 HydrophobicContact CD2-CD1 4.35Å; L229-L236 HydrophobicContact CD2-CD2 3.46Å; L229-L236 VanDerWaalsContact CD2-CD2 3.46Å; L229-L236 HydrophobicContact CD2-CG 3.66Å; L229-A267 HydrophobicContact CD1-CB 4.23Å
230E90.8Very high91.5Very high125 Ų12555.3 Ų55.358%0.58429%0.294SS*.Hα-helixtrans-71.8-42178.5-72.1171.4177.300112.8Q226 S227 I228Q226-E230 WeakPolarHBondContact CG-OE1 3.43Å; Q226-E230 PolarHBondContact NE2-OE1 3.34Å; Q226-E230 WeakPolarHBondContact O-CG 3.48Å; Q226-E230 PolarHBondContact O-N 3.28Å; S227-E230 PolarHBondContact O-N 2.88Å; I228-E230 VanDerWaalsContact C-N 3.32Å; I228-E230 PolarHBondContact O-N 3.17Å
231E88Confident91.7Very high147 Ų14752.7 Ų52.769%0.68728%0.28SS*.Hα-helixtrans-67.1-44.3179.8-176.6172.2-169.500111.8S227 N233S227-E231 WeakPolarHBondContact O-CB 3.49Å; S227-E231 PolarHBondContact O-N 3.14Å; E231-N233 VanDerWaalsContact C-N 3.34Å
232E82.7Confident91.8Very high65 Ų6552.5 Ų52.530%0.30428%0.279SS..Hα-helixtrans-77-24.1-178.1-62.7-63.715300112.3I228 E234 P428I228-E232 HydrophobicContact CG2-CG 4.44Å; I228-E232 WeakPolarHBondContact O-CB 3.12Å; I228-E232 VanDerWaalsContact O-CG 3.25Å; I228-E232 WeakPolarHBondContact O-CG 3.49Å; I228-E232 PolarHBondContact O-N 3.07Å; I228-E232 VanDerWaalsContact O-N 3.16Å; E232-E234 HydrophobicContact CB-CB 4.42Å; E232-E234 PolarHBondContact O-N 3.38Å; E232-E234 VanDerWaalsContact O-N 3.08Å; E232-P428 HydrophobicContact CB-CG 4.42Å; E232-P428 VanDerWaalsContact CD-CG 3.45Å; E232-P428 HydrophobicContact CG-CB 4Å; E232-P428 HydrophobicContact CG-CG 3.71Å; E232-P428 WeakPolarHBondContact OE1-CB 3.4Å; E232-P428 WeakPolarHBondContact OE2-CB 2.82Å; E232-P428 WeakPolarHBondContact OE2-CG 3.42Å
233N80.9Confident91.9Very high150 Ų15051.5 Ų51.580%0.80227%0.267SS*.  trans50.930.2-173.5-16944.9000112.5L229 E231L229-N233 PolarHBondContact O-N 2.69Å; L229-N233 VanDerWaalsContact O-N 3.14Å; E231-N233 VanDerWaalsContact C-N 3.34Å
234E84Confident92.1Very high133 Ų13348.7 Ų48.762%0.62125%0.248SC*.  trans-125143.4-179.1-75.4-165.5170.500111.2E232E232-E234 HydrophobicContact CB-CB 4.42Å; E232-E234 PolarHBondContact O-N 3.38Å; E232-E234 VanDerWaalsContact O-N 3.08Å
235L90.3Very high92.3Very high85 Ų8547.9 Ų47.945%0.44524%0.242SC..PPolyproline II helixtrans-75.3151.9173.3-58.4177.8000110.7S237 G344L235-S237 PolarHBondContact O-N 3.47Å; L235-G344 VanDerWaalsContact CD2-CA 3.41Å
236L93.9Very high92.4Very high11 Ų1147.9 Ų47.96%0.05824%0.242CC..PPolyproline II helixtrans-71.3135.8177-59.2-167.3000111.2L225 L229 A240 V241 L244 W341 H342 L427L225-L236 HydrophobicContact CD1-CD1 4.26Å; L229-L236 HydrophobicContact CD2-CD1 4.35Å; L229-L236 HydrophobicContact CD2-CD2 3.46Å; L229-L236 VanDerWaalsContact CD2-CD2 3.46Å; L229-L236 HydrophobicContact CD2-CG 3.66Å; L236-A240 HydrophobicContact CB-CB 4.3Å; L236-V241 HydrophobicContact CB-CG2 3.57Å; L236-V241 HydrophobicContact CD1-CG2 4.22Å; L236-V241 HydrophobicContact CG-CG2 4.49Å; L236-L244 HydrophobicContact CD1-CD1 3.51Å; L236-W341 HydrophobicContact CB-CB 4.35Å; L236-W341 HydrophobicContact CD1-CB 3.9Å; L236-W341 HydrophobicContact CD1-CG 4.29Å; L236-W341 HydrophobicContact CG-CB 4.1Å; L236-W341 PolarHBondContact N-O 2.76Å; L236-H342 PolarHBondContact O-ND1 3.46Å; L236-L427 HydrophobicContact CD1-CD2 4.37Å; L236-L427 HydrophobicContact CD2-CD2 3.32Å; L236-L427 HydrophobicContact CG-CD2 4.47Å
237S93.9Very high92.5Very high45 Ų4546.5 Ų46.532%0.31523%0.234SC..PPolyproline II helixtrans-59.2151.7166.570.10000110.9L235 K239 A240 V241 N426L235-S237 PolarHBondContact O-N 3.47Å; S237-K239 PolarHBondContact O-N 2.78Å; S237-A240 PolarHBondContact O-N 3.27Å; S237-A240 PolarHBondContact OG-N 3.37Å; S237-V241 PolarHBondContact O-N 2.74Å; S237-N426 PolarHBondContact OG-ND2 3.14Å
238E95.3Very high92.8Very high22 Ų2244 Ų4410%0.10322%0.216CC..Hα-helixtrans-53.8-40.1175.8178.8169.8-159.700111.3A240 V241 L242 S382 F385 L417E238-A240 PolarHBondContact O-N 2.89Å; E238-V241 PolarHBondContact O-N 3.09Å; E238-L242 HydrophobicContact CG-CD1 4.02Å; E238-L242 HydrophobicContact CG-CG 4.22Å; E238-L242 VanDerWaalsContact O-CG 3.27Å; E238-L242 WeakPolarHBondContact O-CG 3.48Å; E238-L242 PolarHBondContact O-N 3.45Å; E238-S382 WeakPolarHBondContact OE1-CA 3.44Å; E238-S382 WeakPolarHBondContact OE1-CB 3.37Å; E238-S382 PolarHBondContact OE1-N 3.47Å; E238-S382 PolarHBondContact OE1-OG 2.86Å; E238-S382 PolarHBondContact OE2-N 2.94Å; E238-F385 HydrophobicContact CG-CE2 3.79Å; E238-F385 HydrophobicContact CG-CZ 4.37Å; E238-F385 WeakPolarHBondContact OE1-CE2 3.48Å; E238-L417 HydrophobicContact CB-CD1 4.27Å; E238-L417 HydrophobicContact CG-CD1 3.67Å
239K95.1Very high93.2Very high71 Ų7144 Ų4431%0.30922%0.216SC..Hα-helixtrans-56.3-48.6175.4-63.9-172.8-176.1-166.90112.6S237 L242 Q243 L414 L417 G418S237-K239 PolarHBondContact O-N 2.78Å; K239-L242 PolarHBondContact O-N 2.99Å; K239-Q243 WeakPolarHBondContact O-CB 3.45Å; K239-Q243 VanDerWaalsContact O-CG 3.31Å; K239-Q243 WeakPolarHBondContact O-CG 3.18Å; K239-Q243 PolarHBondContact O-N 2.92Å; K239-L414 HydrophobicContact CB-CD1 3.95Å; K239-L414 HydrophobicContact CG-CD1 4.22Å; K239-L417 WeakPolarHBondContact CE-O 3.22Å; K239-L417 HydrophobicContact CG-CB 4.04Å; K239-L417 HydrophobicContact CG-CD1 4.38Å; K239-L417 PolarHBondContact NZ-O 3.34Å; K239-G418 PolarHBondContact NZ-O 2.9Å; K239-G418 VanDerWaalsContact NZ-O 3.17Å
240A94.5Very high93.5Very high0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-64.1-42.3-179.100000111.2L236 S237 E238 L242 Q243 L244 N426L236-A240 HydrophobicContact CB-CB 4.3Å; S237-A240 PolarHBondContact O-N 3.27Å; S237-A240 PolarHBondContact OG-N 3.37Å; E238-A240 PolarHBondContact O-N 2.89Å; A240-L242 PolarHBondContact O-N 3.16Å; A240-Q243 PolarHBondContact O-N 2.83Å; A240-L244 WeakPolarHBondContact O-CG 3.49Å; A240-L244 PolarHBondContact O-N 3.17Å; A240-N426 HydrophobicContact CB-CB 4.31Å
241V97Very high93.9Very high0 Ų037.5 Ų37.50%019%0.186CC..Hα-helixtrans-61.3-45.6176.3175.30000111.5L236 S237 E238 L244 A245 M338 W341 H342 F385L236-V241 HydrophobicContact CB-CG2 3.57Å; L236-V241 HydrophobicContact CD1-CG2 4.22Å; L236-V241 HydrophobicContact CG-CG2 4.49Å; S237-V241 PolarHBondContact O-N 2.74Å; E238-V241 PolarHBondContact O-N 3.09Å; V241-L244 PolarHBondContact O-N 2.85Å; V241-A245 WeakPolarHBondContact O-CB 3.38Å; V241-A245 PolarHBondContact O-N 3.19Å; V241-M338 HydrophobicContact CG1-CB 3.69Å; V241-M338 HydrophobicContact CG1-CE 4.38Å; V241-M338 HydrophobicContact CG1-CG 3.77Å; V241-W341 HydrophobicContact CG1-CE3 4.48Å; V241-W341 HydrophobicContact CG2-CB 4.08Å; V241-H342 HydrophobicContact CG2-CB 4.17Å; V241-F385 HydrophobicContact CG1-CE1 4.03Å; V241-F385 HydrophobicContact CG1-CZ 4.13Å
242L97.5Very high94.4Very high0 Ų030.5 Ų30.50%015%0.153CC..Hα-helixtrans-66.5-37.9178.4-63.1-179.4000112.2E238 K239 A240 C246 M338 A384 L410 L414 L417E238-L242 HydrophobicContact CG-CD1 4.02Å; E238-L242 HydrophobicContact CG-CG 4.22Å; E238-L242 VanDerWaalsContact O-CG 3.27Å; E238-L242 WeakPolarHBondContact O-CG 3.48Å; E238-L242 PolarHBondContact O-N 3.45Å; K239-L242 PolarHBondContact O-N 2.99Å; A240-L242 PolarHBondContact O-N 3.16Å; L242-C246 PolarHBondContact O-N 3.18Å; L242-C246 PolarHBondContact O-SG 3.34Å; L242-M338 HydrophobicContact CD2-CE 4.22Å; L242-A384 HydrophobicContact CD1-CB 4.18Å; L242-A384 HydrophobicContact CD2-CB 3.67Å; L242-L410 HydrophobicContact CD2-CD2 3.74Å; L242-L414 HydrophobicContact CB-CB 4.22Å; L242-L414 HydrophobicContact CB-CD1 4.36Å; L242-L414 HydrophobicContact CD1-CB 4.19Å; L242-L417 HydrophobicContact CD1-CD1 4Å
243Q95.4Very high95.2Very high3 Ų330.1 Ų30.11%0.01415%0.151CC..Hα-helixtrans-61.5-46.5173.2-76177.1-48.800111.8K239 A240 R247 L414 S420 P424 L425K239-Q243 WeakPolarHBondContact O-CB 3.45Å; K239-Q243 VanDerWaalsContact O-CG 3.31Å; K239-Q243 WeakPolarHBondContact O-CG 3.18Å; K239-Q243 PolarHBondContact O-N 2.92Å; A240-Q243 PolarHBondContact O-N 2.83Å; Q243-R247 PolarHBondContact O-N 3.07Å; Q243-L414 HydrophobicContact CG-CD1 4.12Å; Q243-L414 HydrophobicContact CG-CD2 3.62Å; Q243-S420 PolarHBondContact NE2-O 3.38Å; Q243-P424 PolarHBondContact NE2-O 2.98Å; Q243-L425 HydrophobicContact CB-CD2 4.19Å
244L96.6Very high96Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-61.6-50.1176.6-74.2170.6000110.9L225 L236 A240 V241 C246 R247 I248 V280 W341 L425L225-L244 HydrophobicContact CD1-CD1 4.19Å; L225-L244 HydrophobicContact CD2-CD1 3.83Å; L236-L244 HydrophobicContact CD1-CD1 3.51Å; A240-L244 WeakPolarHBondContact O-CG 3.49Å; A240-L244 PolarHBondContact O-N 3.17Å; V241-L244 PolarHBondContact O-N 2.85Å; L244-C246 VanDerWaalsContact C-N 3.3Å; L244-C246 PolarHBondContact O-N 2.89Å; L244-R247 PolarHBondContact O-N 3.3Å; L244-R247 VanDerWaalsContact O-N 3.12Å; L244-I248 HydrophobicContact CB-CD1 4.4Å; L244-I248 VanDerWaalsContact O-CG1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.22Å; L244-I248 PolarHBondContact O-N 2.98Å; L244-V280 HydrophobicContact CD2-CG1 3.97Å; L244-V280 HydrophobicContact CD2-CG2 4.03Å; L244-W341 HydrophobicContact CB-CZ3 4.34Å; L244-W341 HydrophobicContact CD1-CE3 4.33Å; L244-W341 HydrophobicContact CD1-CZ3 4.37Å; L244-L425 HydrophobicContact CD2-CD1 4.09Å; L244-L425 HydrophobicContact CD2-CD2 3.74Å; L244-L425 HydrophobicContact CG-CD2 3.74Å
245A98.2Very high96.7Very high0 Ų016.6 Ų16.60%08%0.084CC..Hα-helixtrans-58.1-41.4-179.400000112.1V241 I248 L249 M338 L410V241-A245 WeakPolarHBondContact O-CB 3.38Å; V241-A245 PolarHBondContact O-N 3.19Å; A245-I248 PolarHBondContact O-N 2.81Å; A245-L249 WeakPolarHBondContact O-CB 3.43Å; A245-L249 VanDerWaalsContact O-CG 3.26Å; A245-L249 WeakPolarHBondContact O-CG 3.44Å; A245-L249 PolarHBondContact O-N 3.35Å; A245-M338 HydrophobicContact CB-CE 4.03Å; A245-M338 HydrophobicContact CB-CG 4.06Å; A245-M338 HydrophobicContact CB-SD 3.67Å; A245-L410 HydrophobicContact CB-CD1 3.89Å
246C97.3Very high97.1Very high0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-62.7-42.5176.1-69.80000112.7L242 L244 D250 K407 V421L242-C246 PolarHBondContact O-N 3.18Å; L242-C246 PolarHBondContact O-SG 3.34Å; L244-C246 VanDerWaalsContact C-N 3.3Å; L244-C246 PolarHBondContact O-N 2.89Å; C246-D250 PolarHBondContact O-N 2.77Å; C246-K407 HydrophobicContact CB-CG 4.38Å; C246-V421 HydrophobicContact CB-CG1 4.16Å; C246-V421 HydrophobicContact CB-CG2 3.78Å
247R96.2Very high97.3Very high31 Ų3115.2 Ų15.212%0.1178%0.081CC..Hα-helixtrans-69.7-38.4178.3-71.5-177.1167.2106.3-6.5112Q243 L244 D250 V251 V280 V421 Q423Q243-R247 PolarHBondContact O-N 3.07Å; L244-R247 PolarHBondContact O-N 3.3Å; L244-R247 VanDerWaalsContact O-N 3.12Å; R247-D250 PolarHBondContact O-N 2.87Å; R247-V251 PolarHBondContact O-N 2.79Å; R247-V280 HydrophobicContact CB-CB 4.35Å; R247-V280 VanDerWaalsContact CD-CG2 3.47Å; R247-V421 HydrophobicContact CG-CG1 4.23Å; R247-V421 PolarHBondContact NH1-O 3.48Å; R247-V421 PolarHBondContact NH2-O 3.38Å; R247-Q423 PolarHBondContact NH2-O 2.95Å
248I98.5Very high97.6Very high2 Ų216.3 Ų16.31%0.018%0.08CC..Hα-helixtrans-68.3-38.5176.7-64.7161.9000110.4L244 A245 D250 V251 L252 I270 L334 W341L244-I248 HydrophobicContact CB-CD1 4.4Å; L244-I248 VanDerWaalsContact O-CG1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.22Å; L244-I248 PolarHBondContact O-N 2.98Å; A245-I248 PolarHBondContact O-N 2.81Å; I248-D250 VanDerWaalsContact C-N 3.29Å; I248-D250 PolarHBondContact O-N 2.88Å; I248-V251 WeakPolarHBondContact O-CA 3.48Å; I248-V251 WeakPolarHBondContact O-CB 3.39Å; I248-V251 PolarHBondContact O-N 2.82Å; I248-L252 HydrophobicContact CG2-CD1 4.07Å; I248-L252 HydrophobicContact CG2-CG 4.02Å; I248-L252 WeakPolarHBondContact O-CG 3.2Å; I248-L252 PolarHBondContact O-N 3.4Å; I248-I270 HydrophobicContact CD1-CD1 3.59Å; I248-I270 HydrophobicContact CD1-CG1 4.27Å; I248-L334 HydrophobicContact CB-CD1 4.29Å; I248-L334 HydrophobicContact CB-CD2 4.38Å; I248-L334 HydrophobicContact CD1-CD1 3.89Å; I248-L334 HydrophobicContact CG2-CD1 4.04Å; I248-L334 HydrophobicContact CG2-CD2 4.05Å; I248-W341 HydrophobicContact CD1-CH2 3.94Å; I248-W341 HydrophobicContact CD1-CZ3 4.33Å
249L98.7Very high97.7Very high2 Ų217.1 Ų17.11%0.018%0.084CC..Hα-helixtrans-57.9-38.9175.7-80.6171.7000112.9A245 V251 L252 E253 L331 L334 F388 Y403 L406 K407 L410A245-L249 WeakPolarHBondContact O-CB 3.43Å; A245-L249 VanDerWaalsContact O-CG 3.26Å; A245-L249 WeakPolarHBondContact O-CG 3.44Å; A245-L249 PolarHBondContact O-N 3.35Å; L249-V251 VanDerWaalsContact C-N 3.3Å; L249-V251 PolarHBondContact O-N 3.1Å; L249-L252 PolarHBondContact O-N 3.26Å; L249-E253 WeakPolarHBondContact O-CB 2.79Å; L249-E253 PolarHBondContact O-N 3.29Å; L249-L331 HydrophobicContact CD2-CD2 3.47Å; L249-L331 VanDerWaalsContact CD2-CD2 3.47Å; L249-L334 HydrophobicContact CD2-CD2 4.2Å; L249-L334 HydrophobicContact CG-CD2 4.12Å; L249-F388 HydrophobicContact CD1-CE2 4.16Å; L249-F388 HydrophobicContact CD2-CE2 4.17Å; L249-Y403 HydrophobicContact CD2-CD1 4.45Å; L249-L406 HydrophobicContact CD1-CB 4.14Å; L249-L406 HydrophobicContact CD2-CD1 4.46Å; L249-K407 HydrophobicContact CD1-CB 4.23Å; L249-L410 HydrophobicContact CD1-CD1 3.62Å
250D98.4Very high97.9Very high19 Ų1914.4 Ų14.410%0.1027%0.072CC..Hα-helixtrans-61.7-40.9175.1-69.9-31.6000111.6L195 L198 C246 R247 I248 F254 K407L195-D250 HydrophobicContact CD1-CB 4.43Å; L198-D250 HydrophobicContact CD1-CB 3.88Å; L198-D250 WeakPolarHBondContact CD1-O 3.28Å; C246-D250 PolarHBondContact O-N 2.77Å; R247-D250 PolarHBondContact O-N 2.87Å; I248-D250 VanDerWaalsContact C-N 3.29Å; I248-D250 PolarHBondContact O-N 2.88Å; D250-F254 PolarHBondContact O-N 2.87Å; D250-F254 VanDerWaalsContact O-N 3.12Å; D250-K407 WeakPolarHBondContact OD1-CE 3.4Å; D250-K407 IonicContact OD1-NZ 3.56Å; D250-K407 PolarHBondContact OD1-NZ 3.19Å; D250-K407 IonicContact OD2-NZ 2.72Å; D250-K407 PolarHBondContact OD2-NZ 3.34Å
251V98.8Very high98.1Very high2 Ų214.4 Ų14.41%0.0127%0.072CC..Hα-helixtrans-66.6-45.6176.7177.90000111L198 I200 R247 I248 L249 F254 I255 L282L198-V251 HydrophobicContact CD1-CG2 4.17Å; L198-V251 HydrophobicContact CG-CG2 4.49Å; I200-V251 HydrophobicContact CD1-CG1 3.56Å; I200-V251 HydrophobicContact CG1-CG1 4.28Å; R247-V251 PolarHBondContact O-N 2.79Å; I248-V251 WeakPolarHBondContact O-CA 3.48Å; I248-V251 WeakPolarHBondContact O-CB 3.39Å; I248-V251 PolarHBondContact O-N 2.82Å; L249-V251 VanDerWaalsContact C-N 3.3Å; L249-V251 PolarHBondContact O-N 3.1Å; V251-F254 WeakPolarHBondContact O-CB 2.91Å; V251-F254 PolarHBondContact O-N 2.72Å; V251-I255 HydrophobicContact CG1-CG2 4.49Å; V251-I255 PolarHBondContact O-N 3.32Å; V251-L282 HydrophobicContact CG1-CB 3.97Å; V251-L282 HydrophobicContact CG1-CD2 3.83Å; V251-L282 HydrophobicContact CG1-CG 4.49Å
252L98.9Very high98.2Very high0 Ų014.4 Ų14.40%07%0.072CC..Hα-helixtrans-61.1-46.6177.8-66.5-175.8000111.2I248 L249 F254 I255 H256 I265 L282 D330 L331 L334I248-L252 HydrophobicContact CG2-CD1 4.07Å; I248-L252 HydrophobicContact CG2-CG 4.02Å; I248-L252 WeakPolarHBondContact O-CG 3.2Å; I248-L252 PolarHBondContact O-N 3.4Å; L249-L252 PolarHBondContact O-N 3.26Å; L252-F254 VanDerWaalsContact C-N 3.29Å; L252-F254 PolarHBondContact O-N 3.48Å; L252-I255 HydrophobicContact CD2-CD1 3.91Å; L252-I255 WeakPolarHBondContact O-CG1 3.33Å; L252-I255 PolarHBondContact O-N 3.13Å; L252-H256 WeakPolarHBondContact O-CB 3.41Å; L252-H256 PolarHBondContact O-N 3.48Å; L252-H256 PolarHBondContact O-ND1 3.03Å; L252-I265 HydrophobicContact CD1-CD1 3.92Å; L252-I265 HydrophobicContact CD2-CD1 3.7Å; L252-I265 HydrophobicContact CD2-CG1 4.46Å; L252-I265 HydrophobicContact CG-CD1 4.41Å; L252-L282 HydrophobicContact CD2-CD2 4.07Å; L252-D330 HydrophobicContact CD1-CB 4.26Å; L252-D330 HydrophobicContact CD2-CB 4.12Å; L252-L331 HydrophobicContact CD1-CD2 3.9Å; L252-L334 HydrophobicContact CD1-CD2 4.18Å
253E98.9Very high98.2Very high56 Ų5614.8 Ų14.826%0.2628%0.075SC..Hα-helixtrans-56.7-44.4176.2-171.9174.3-168.600111.4W189 L249 S257 Y403W189-E253 HydrophobicContact CH2-CG 4.1Å; W189-E253 HydrophobicContact CZ2-CB 4.33Å; W189-E253 HydrophobicContact CZ2-CG 3.83Å; L249-E253 WeakPolarHBondContact O-CB 2.79Å; L249-E253 PolarHBondContact O-N 3.29Å; E253-S257 WeakPolarHBondContact O-CB 3.44Å; E253-S257 PolarHBondContact O-N 3.19Å; E253-Y403 HydrophobicContact CB-CD1 3.89Å; E253-Y403 HydrophobicContact CB-CD2 4.16Å; E253-Y403 HydrophobicContact CB-CE1 4.38Å; E253-Y403 HydrophobicContact CB-CG 3.79Å; E253-Y403 HydrophobicContact CG-CD1 4.36Å; E253-Y403 HydrophobicContact CG-CD2 3.73Å; E253-Y403 HydrophobicContact CG-CE2 4.33Å; E253-Y403 HydrophobicContact CG-CG 3.77Å
254F98.8Very high98.3Very high0 Ų015.5 Ų15.50%08%0.079CC..Hα-helixtrans-60.1-56.3175.3171-99.2000112.3A180 V186 W189 L198 I200 D250 V251 L252 H256 S257 K258A180-F254 WeakPolarHBondContact O-CZ 3.35Å; V186-F254 HydrophobicContact CG2-CE1 4.11Å; V186-F254 HydrophobicContact CG2-CE2 4.39Å; V186-F254 HydrophobicContact CG2-CZ 3.68Å; W189-F254 HydrophobicContact CB-CD2 3.7Å; W189-F254 HydrophobicContact CB-CE2 3.89Å; W189-F254 AromaticContact CD1-CD2 3.97Å; W189-F254 HydrophobicContact CD2-CB 4.24Å; W189-F254 AromaticContact CD2-CD2 3.62Å; W189-F254 HydrophobicContact CD2-CD2 3.62Å; W189-F254 HydrophobicContact CD2-CG 4.42Å; W189-F254 HydrophobicContact CE3-CD2 4.01Å; W189-F254 HydrophobicContact CG-CB 4.42Å; W189-F254 AromaticContact CG-CD2 3.48Å; W189-F254 HydrophobicContact CG-CD2 3.48Å; W189-F254 VanDerWaalsContact CG-CD2 3.48Å; W189-F254 HydrophobicContact CG-CE2 4.19Å; W189-F254 HydrophobicContact CG-CG 4.36Å; W189-F254 HydrophobicContact CZ2-CB 4.32Å; L198-F254 HydrophobicContact CD1-CB 4.47Å; L198-F254 HydrophobicContact CD2-CB 3.83Å; L198-F254 HydrophobicContact CD2-CD1 4.05Å; L198-F254 HydrophobicContact CD2-CD2 3.97Å; L198-F254 HydrophobicContact CD2-CG 3.67Å; I200-F254 HydrophobicContact CD1-CD1 3.6Å; I200-F254 HydrophobicContact CD1-CE1 3.87Å; I200-F254 HydrophobicContact CG1-CD1 3.63Å; I200-F254 HydrophobicContact CG1-CE1 3.79Å; D250-F254 PolarHBondContact O-N 2.87Å; D250-F254 VanDerWaalsContact O-N 3.12Å; V251-F254 WeakPolarHBondContact O-CB 2.91Å; V251-F254 PolarHBondContact O-N 2.72Å; L252-F254 VanDerWaalsContact C-N 3.29Å; L252-F254 PolarHBondContact O-N 3.48Å; F254-H256 VanDerWaalsContact C-N 3.27Å; F254-H256 PolarHBondContact O-N 2.9Å; F254-S257 WeakPolarHBondContact O-CB 3.42Å; F254-S257 PolarHBondContact O-N 3.49Å; F254-S257 VanDerWaalsContact O-N 3.13Å; F254-S257 PolarHBondContact O-OG 2.85Å; F254-K258 HydrophobicContact CD2-CG 4.5Å; F254-K258 HydrophobicContact CE1-CG 4.29Å; F254-K258 HydrophobicContact CE2-CD 4.48Å; F254-K258 HydrophobicContact CE2-CG 4.16Å; F254-K258 HydrophobicContact CZ-CG 4.04Å; F254-K258 WeakPolarHBondContact O-CG 3.34Å; F254-K258 PolarHBondContact O-N 2.85Å
255I98.8Very high98.4Very high0 Ų015.5 Ų15.50%08%0.079CC..Hα-helixtrans-64.9-35.3-175.266.4177.8000111.5F176 I200 V251 L252 S257 K258 E259 Y260 H262 Y285F176-I255 HydrophobicContact CE2-CB 4.3Å; F176-I255 HydrophobicContact CE2-CG2 3.92Å; F176-I255 HydrophobicContact CZ-CG2 3.7Å; I200-I255 HydrophobicContact CD1-CG2 3.63Å; V251-I255 HydrophobicContact CG1-CG2 4.49Å; V251-I255 PolarHBondContact O-N 3.32Å; L252-I255 HydrophobicContact CD2-CD1 3.91Å; L252-I255 WeakPolarHBondContact O-CG1 3.33Å; L252-I255 PolarHBondContact O-N 3.13Å; I255-S257 VanDerWaalsContact C-N 3.33Å; I255-S257 PolarHBondContact O-N 2.83Å; I255-K258 CarbonylContact O-C 3.59Å; I255-K258 WeakPolarHBondContact O-CA 3.33Å; I255-K258 WeakPolarHBondContact O-CB 3.5Å; I255-K258 PolarHBondContact O-N 3.41Å; I255-E259 PolarHBondContact O-N 3.29Å; I255-Y260 CarbonylContact C-O 3.28Å; I255-Y260 PolarHBondContact O-N 2.85Å; I255-H262 HydrophobicContact CD1-CB 3.91Å; I255-Y285 HydrophobicContact CD1-CE1 4.34Å; I255-Y285 HydrophobicContact CG2-CE1 4.28Å
256H98.9Very high98.3Very high4 Ų415.7 Ų15.72%0.0198%0.08CC..Hα-helixtrans-64.8-37.9176.1-66.5143.7000111.7L252 F254 K258 E259 Y260 Y291 R327 D330 Y403L252-H256 WeakPolarHBondContact O-CB 3.41Å; L252-H256 PolarHBondContact O-N 3.48Å; L252-H256 PolarHBondContact O-ND1 3.03Å; F254-H256 VanDerWaalsContact C-N 3.27Å; F254-H256 PolarHBondContact O-N 2.9Å; H256-K258 PolarHBondContact O-N 2.79Å; H256-E259 PolarHBondContact O-N 2.99Å; H256-E259 VanDerWaalsContact O-N 3.14Å; H256-Y260 VanDerWaalsContact CA-O 3.31Å; H256-Y260 WeakPolarHBondContact CA-O 3.45Å; H256-Y260 PolarHBondContact CD2-O 2.86Å; H256-Y260 PolarHBondContact N-O 2.81Å; H256-Y291 PolarHBondContact O-OH 3.38Å; H256-R327 HydrophobicContact CB-CG 4.04Å; H256-D330 IonicContact CE1-OD2 3.91Å; H256-D330 IonicContact NE2-OD2 2.94Å; H256-D330 PolarHBondContact NE2-OD2 2.9Å; H256-D330 VanDerWaalsContact NE2-OD2 3.14Å; H256-Y403 WeakPolarHBondContact CB-OH 3.28Å; H256-Y403 VanDerWaalsContact CG-OH 3.27Å; H256-Y403 AromaticContact ND1-CE1 3.51Å; H256-Y403 AromaticContact ND1-CZ 3.43Å; H256-Y403 PolarHBondContact ND1-OH 2.58Å
257S98.6Very high98.3Very high62 Ų6215.8 Ų15.843%0.4348%0.081SC..Hα-helixtrans-66.1-19.5171.884.50000113.4W189 E253 F254 I255W189-S257 WeakPolarHBondContact CZ3-OG 3.42Å; E253-S257 WeakPolarHBondContact O-CB 3.44Å; E253-S257 PolarHBondContact O-N 3.19Å; F254-S257 WeakPolarHBondContact O-CB 3.42Å; F254-S257 PolarHBondContact O-N 3.49Å; F254-S257 VanDerWaalsContact O-N 3.13Å; F254-S257 PolarHBondContact O-OG 2.85Å; I255-S257 VanDerWaalsContact C-N 3.33Å; I255-S257 PolarHBondContact O-N 2.83Å
258K98.4Very high98.2Very high68 Ų6819.7 Ų19.730%0.29610%0.1SC..THydrogen-bonded Turntrans-9715.7175.2-56.8-62167.1172.40113.1A180 S185 F254 I255 H256 Y260A180-K258 HydrophobicContact CB-CB 3.74Å; A180-K258 HydrophobicContact CB-CG 4.35Å; S185-K258 WeakPolarHBondContact OG-CE 3.45Å; S185-K258 PolarHBondContact OG-NZ 3.4Å; F254-K258 HydrophobicContact CD2-CG 4.5Å; F254-K258 HydrophobicContact CE1-CG 4.29Å; F254-K258 HydrophobicContact CE2-CD 4.48Å; F254-K258 HydrophobicContact CE2-CG 4.16Å; F254-K258 HydrophobicContact CZ-CG 4.04Å; F254-K258 WeakPolarHBondContact O-CG 3.34Å; F254-K258 PolarHBondContact O-N 2.85Å; I255-K258 CarbonylContact O-C 3.59Å; I255-K258 WeakPolarHBondContact O-CA 3.33Å; I255-K258 WeakPolarHBondContact O-CB 3.5Å; I255-K258 PolarHBondContact O-N 3.41Å; H256-K258 PolarHBondContact O-N 2.79Å; K258-Y260 VanDerWaalsContact C-N 3.27Å; K258-Y260 VanDerWaalsContact O-CD2 3.24Å; K258-Y260 WeakPolarHBondContact O-CD2 3.05Å; K258-Y260 PolarHBondContact O-N 2.76Å
259E98.6Very high98.1Very high40 Ų4020.5 Ų20.519%0.18711%0.105CC..THydrogen-bonded Turntrans71.812.7178.2-45.4173.5153.500114.7I255 H256 R290 Y291 C292 G294 G295I255-E259 PolarHBondContact O-N 3.29Å; H256-E259 PolarHBondContact O-N 2.99Å; H256-E259 VanDerWaalsContact O-N 3.14Å; E259-R290 HydrophobicContact CB-CG 4.05Å; E259-R290 CarbonylContact O-C 3.58Å; E259-R290 VanDerWaalsContact O-C 3.28Å; E259-R290 WeakPolarHBondContact O-CA 3.48Å; E259-R290 WeakPolarHBondContact O-CG 3.48Å; E259-R290 IonicContact OE2-CZ 2.85Å; E259-R290 IonicContact OE2-NE 2.65Å; E259-R290 PolarHBondContact OE2-NE 2.83Å; E259-R290 IonicContact OE2-NH2 3.1Å; E259-R290 PolarHBondContact OE2-NH2 3.31Å; E259-Y291 WeakPolarHBondContact O-CD1 3.39Å; E259-Y291 PolarHBondContact O-N 3Å; E259-C292 HydrophobicContact CB-CB 4.03Å; E259-C292 WeakPolarHBondContact CB-O 3.14Å; E259-C292 HydrophobicContact CG-CB 4.35Å; E259-C292 WeakPolarHBondContact CG-O 3.43Å; E259-C292 PolarHBondContact O-N 2.85Å; E259-C292 VanDerWaalsContact OE1-O 3.12Å; E259-G294 VanDerWaalsContact OE1-CA 3.27Å; E259-G294 WeakPolarHBondContact OE1-CA 3.09Å; E259-G294 PolarHBondContact OE1-N 3.07Å; E259-G294 PolarHBondContact OE2-N 3.06Å; E259-G295 PolarHBondContact OE1-N 2.88Å
260Y98.8Very high98.1Very high14 Ų1420.4 Ų20.46%0.05510%0.104CC..EExtended strand (participates in β ladder)trans-113.3146.6-179.3-79.8-95.9000112.6F176 R179 A180 I255 H256 K258 A288 F289 R290F176-Y260 HydrophobicContact CB-CD1 4.48Å; F176-Y260 HydrophobicContact CB-CE1 4.26Å; F176-Y260 AromaticContact CD2-CD1 3.76Å; F176-Y260 HydrophobicContact CD2-CD1 3.76Å; F176-Y260 HydrophobicContact CD2-CD2 4.17Å; F176-Y260 HydrophobicContact CD2-CE1 4.22Å; F176-Y260 AromaticContact CD2-CG 3.73Å; F176-Y260 HydrophobicContact CD2-CG 3.73Å; F176-Y260 HydrophobicContact CE2-CG 4.22Å; R179-Y260 WeakPolarHBondContact CD-OH 3.29Å; A180-Y260 HydrophobicContact CB-CD2 3.79Å; A180-Y260 HydrophobicContact CB-CE2 4.04Å; I255-Y260 CarbonylContact C-O 3.28Å; I255-Y260 PolarHBondContact O-N 2.85Å; H256-Y260 VanDerWaalsContact CA-O 3.31Å; H256-Y260 WeakPolarHBondContact CA-O 3.45Å; H256-Y260 PolarHBondContact CD2-O 2.86Å; H256-Y260 PolarHBondContact N-O 2.81Å; K258-Y260 VanDerWaalsContact C-N 3.27Å; K258-Y260 VanDerWaalsContact O-CD2 3.24Å; K258-Y260 WeakPolarHBondContact O-CD2 3.05Å; K258-Y260 PolarHBondContact O-N 2.76Å; Y260-A288 HydrophobicContact CD1-CB 4.32Å; Y260-F289 CarbonylContact C-O 3.58Å; Y260-F289 VanDerWaalsContact CA-O 3.3Å; Y260-F289 WeakPolarHBondContact CA-O 3.36Å; Y260-R290 HydrophobicContact CD1-CB 4.2Å; Y260-R290 HydrophobicContact CD2-CG 4.3Å; Y260-R290 HydrophobicContact CE1-CB 3.83Å; Y260-R290 HydrophobicContact CE1-CG 4.47Å; Y260-R290 HydrophobicContact CE2-CB 4.17Å; Y260-R290 HydrophobicContact CE2-CG 3.91Å
261V98.8Very high98Very high0 Ų020.1 Ų20.10%010%0.102CC..EExtended strand (participates in β ladder)trans-111.7151.7161.9-64.90000108.3A263 A288 F289 Y291 P325 S326 D330V261-A263 HydrophobicContact CG2-CB 4.37Å; V261-A288 CarbonylContact O-C 3.59Å; V261-A288 WeakPolarHBondContact O-CA 3.25Å; V261-F289 HydrophobicContact CG2-CB 3.83Å; V261-F289 HydrophobicContact CG2-CD1 4.18Å; V261-F289 WeakPolarHBondContact CG2-O 3.3Å; V261-F289 PolarHBondContact N-O 3.33Å; V261-F289 PolarHBondContact O-N 3.35Å; V261-Y291 HydrophobicContact CG1-CD1 3.64Å; V261-Y291 HydrophobicContact CG1-CE1 4.27Å; V261-Y291 HydrophobicContact CG1-CG 3.94Å; V261-P325 HydrophobicContact CG2-CB 4Å; V261-P325 HydrophobicContact CG2-CG 3.88Å; V261-S326 WeakPolarHBondContact CG1-O 3.44Å; V261-D330 WeakPolarHBondContact CA-OD2 3.12Å; V261-D330 WeakPolarHBondContact CB-OD2 3.48Å
262H98.8Very high97.8Very high0 Ų020 Ų200%010%0.101CC..  trans-74.7-45176.4-170.9-66.2000111.9I255 D264 I265 G283 G284 Y285 H287 A288 D330I255-H262 HydrophobicContact CD1-CB 3.91Å; H262-D264 PolarHBondContact CE1-O 3.23Å; H262-D264 PolarHBondContact ND1-N 2.81Å; H262-D264 PolarHBondContact ND1-O 2.66Å; H262-D264 PolarHBondContact O-N 3.06Å; H262-I265 HydrophobicContact CB-CG1 4.12Å; H262-G283 PolarHBondContact NE2-O 3Å; H262-G284 PolarHBondContact CE1-O 3.48Å; H262-G284 VanDerWaalsContact CE1-O 3.3Å; H262-Y285 AromaticContact CD2-CD1 3.73Å; H262-Y285 AromaticContact CD2-CE1 3.51Å; H262-H287 CarbonylContact O-C 3.58Å; H262-A288 PolarHBondContact O-N 3.46Å; H262-D330 PolarHBondContact N-OD1 2.85Å; H262-D330 PolarHBondContact N-OD2 3.46Å
263A98.1Very high97.5Very high7 Ų723 Ų236%0.05812%0.115CC..SBendtrans63.513179.100000117V261 H287 P325 D330V261-A263 HydrophobicContact CG2-CB 4.37Å; A263-H287 HydrophobicContact CB-CB 4.34Å; A263-P325 HydrophobicContact CB-CB 3.8Å; A263-P325 HydrophobicContact CB-CG 3.61Å; A263-D330 WeakPolarHBondContact CA-OD1 3.29Å; A263-D330 PolarHBondContact N-OD1 3.18Å
264D97.3Very high96.9Very high18 Ų1823.6 Ų23.610%0.09612%0.123CC..  trans-159.551.5179.3-166.633.1000112.3H262 N266 N269 H287 G310 A311H262-D264 PolarHBondContact CE1-O 3.23Å; H262-D264 PolarHBondContact ND1-N 2.81Å; H262-D264 PolarHBondContact ND1-O 2.66Å; H262-D264 PolarHBondContact O-N 3.06Å; D264-N266 PolarHBondContact O-N 3.45Å; D264-N266 PolarHBondContact O-ND2 3.37Å; D264-N266 PolarHBondContact OD1-ND2 2.9Å; D264-N266 PolarHBondContact OD2-ND2 3.21Å; D264-N269 PolarHBondContact O-ND2 3.4Å; D264-N269 PolarHBondContact OD2-ND2 2.82Å; D264-H287 HydrophobicContact CB-CB 3.87Å; D264-H287 IonicContact OD2-CD2 2.65Å; D264-G310 WeakPolarHBondContact OD1-CA 3.38Å; D264-A311 PolarHBondContact OD1-N 2.79Å
265I98.4Very high96Very high0 Ų025.7 Ų25.70%014%0.144CC..  trans-75.2121.2178.8-61.1158.6000108.1L252 H262 D330 C337L252-I265 HydrophobicContact CD1-CD1 3.92Å; L252-I265 HydrophobicContact CD2-CD1 3.7Å; L252-I265 HydrophobicContact CD2-CG1 4.46Å; L252-I265 HydrophobicContact CG-CD1 4.41Å; H262-I265 HydrophobicContact CB-CG1 4.12Å; I265-D330 HydrophobicContact CD1-CB 3.64Å; I265-D330 VanDerWaalsContact CD1-O 3.23Å; I265-D330 WeakPolarHBondContact CD1-O 3.47Å; I265-C337 PolarHBondContact O-SG 3.46Å
266N97.1Very high94.7Very high4 Ų434.8 Ų34.82%0.02119%0.187CC..SBendtrans-160.2177178.164.150.9000109.6D264 E268 N269 I270 A311 F314D264-N266 PolarHBondContact O-N 3.45Å; D264-N266 PolarHBondContact O-ND2 3.37Å; D264-N266 PolarHBondContact OD1-ND2 2.9Å; D264-N266 PolarHBondContact OD2-ND2 3.21Å; N266-E268 WeakPolarHBondContact OD1-CA 3.41Å; N266-E268 WeakPolarHBondContact OD1-CB 3.5Å; N266-E268 PolarHBondContact OD1-N 2.81Å; N266-N269 PolarHBondContact ND2-ND2 3.14Å; N266-N269 PolarHBondContact O-N 3.04Å; N266-N269 PolarHBondContact OD1-N 3.04Å; N266-I270 VanDerWaalsContact O-CD1 3.32Å; N266-I270 WeakPolarHBondContact O-CD1 3.1Å; N266-I270 WeakPolarHBondContact O-CG1 3.42Å; N266-A311 HydrophobicContact CB-CB 4.46Å; N266-F314 HydrophobicContact CB-CD2 3.54Å; N266-F314 HydrophobicContact CB-CE2 3.74Å; N266-F314 HydrophobicContact CB-CG 4.45Å
267A96.5Very high93.7Very high3 Ų340.5 Ų40.53%0.02521%0.212CC..SBendtrans-71.5-25.5-176.800000114.2L225 Q226 L229 N269 I270L225-A267 HydrophobicContact CB-CB 4.1Å; L225-A267 WeakPolarHBondContact CB-O 3.31Å; L225-A267 HydrophobicContact CD2-CB 4.23Å; L225-A267 HydrophobicContact CG-CB 4.16Å; L225-A267 PolarHBondContact N-O 2.91Å; Q226-A267 HydrophobicContact CB-CB 3.94Å; Q226-A267 PolarHBondContact N-O 2.78Å; Q226-A267 VanDerWaalsContact N-O 3.07Å; L229-A267 HydrophobicContact CD1-CB 4.23Å; A267-N269 VanDerWaalsContact C-N 3.28Å; A267-N269 PolarHBondContact O-N 3.38Å; A267-I270 PolarHBondContact O-N 2.99Å
268E94.6Very high93Very high112 Ų11237.7 Ų37.752%0.52319%0.192SC..THydrogen-bonded Turntrans-67.7-33.7176-56.9178159.700110.9Q226 N266Q226-E268 HydrophobicContact CB-CG 3.98Å; Q226-E268 HydrophobicContact CG-CG 4.03Å; N266-E268 WeakPolarHBondContact OD1-CA 3.41Å; N266-E268 WeakPolarHBondContact OD1-CB 3.5Å; N266-E268 PolarHBondContact OD1-N 2.81Å
269N96.9Very high92.7Very high19 Ų1937.7 Ų37.710%0.10219%0.193CC..THydrogen-bonded Turntrans-88.40.6-178.9-73.2-28.2000114D264 N266 A267 L282 G283 G284D264-N269 PolarHBondContact O-ND2 3.4Å; D264-N269 PolarHBondContact OD2-ND2 2.82Å; N266-N269 PolarHBondContact ND2-ND2 3.14Å; N266-N269 PolarHBondContact O-N 3.04Å; N266-N269 PolarHBondContact OD1-N 3.04Å; A267-N269 VanDerWaalsContact C-N 3.28Å; A267-N269 PolarHBondContact O-N 3.38Å; N269-L282 CarbonylContact O-C 3.58Å; N269-G283 WeakPolarHBondContact CB-O 3.41Å; N269-G283 PolarHBondContact O-N 3.24Å; N269-G284 WeakPolarHBondContact OD1-CA 3.21Å
270I97.7Very high92.6Very high0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-108.4124.1177.1-66.5160.6000108.6S224 L225 I248 N266 A267 V280 Y281 L282 W341S224-I270 CarbonylContact C-O 3.12Å; S224-I270 VanDerWaalsContact CA-O 3.29Å; S224-I270 WeakPolarHBondContact CA-O 3.48Å; L225-I270 HydrophobicContact CB-CB 4.02Å; L225-I270 HydrophobicContact CB-CG2 4.03Å; L225-I270 HydrophobicContact CD2-CB 4.43Å; L225-I270 HydrophobicContact CD2-CD1 4.23Å; L225-I270 HydrophobicContact CD2-CG2 4.26Å; L225-I270 PolarHBondContact N-O 2.91Å; I248-I270 HydrophobicContact CD1-CD1 3.59Å; I248-I270 HydrophobicContact CD1-CG1 4.27Å; N266-I270 VanDerWaalsContact O-CD1 3.32Å; N266-I270 WeakPolarHBondContact O-CD1 3.1Å; N266-I270 WeakPolarHBondContact O-CG1 3.42Å; A267-I270 PolarHBondContact O-N 2.99Å; I270-V280 HydrophobicContact CG2-CG1 3.77Å; I270-Y281 CarbonylContact C-O 3.53Å; I270-Y281 WeakPolarHBondContact CA-O 3.13Å; I270-L282 HydrophobicContact CG1-CD1 4.02Å; I270-W341 HydrophobicContact CD1-CH2 3.36Å; I270-W341 HydrophobicContact CD1-CZ2 3.43Å; I270-W341 VanDerWaalsContact CD1-CZ2 3.43Å
271Y96.1Very high92.5Very high14 Ų1436.9 Ų36.96%0.05519%0.189CC..EExtended strand (participates in β ladder)trans-111.8139.3177.7-60.7-100.4000110.5L146 M221 S223 V280 Y281L146-Y271 HydrophobicContact CD2-CE1 4.41Å; M221-Y271 HydrophobicContact CB-CD1 4.41Å; M221-Y271 HydrophobicContact CB-CG 4.12Å; M221-Y271 HydrophobicContact CE-CD1 4.43Å; M221-Y271 HydrophobicContact CE-CD2 3.78Å; M221-Y271 HydrophobicContact CE-CE2 3.94Å; M221-Y271 HydrophobicContact CE-CG 4.04Å; S223-Y271 CarbonylContact O-C 3.52Å; S223-Y271 WeakPolarHBondContact O-CA 3.26Å; Y271-V280 CarbonylContact O-C 3.12Å; Y271-V280 WeakPolarHBondContact O-CA 3.26Å; Y271-Y281 PolarHBondContact N-O 3.05Å; Y271-Y281 PolarHBondContact O-N 3.32Å
272V94.8Very high92.5Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-118.8117.3178.6-177.60000109.1M221 G222 S223 I228 P274 Q279 L425 L427 I429M221-V272 CarbonylContact O-C 3.6Å; G222-V272 WeakPolarHBondContact CA-O 3.05Å; S223-V272 PolarHBondContact N-O 3.22Å; S223-V272 PolarHBondContact O-N 2.87Å; I228-V272 HydrophobicContact CD1-CB 3.8Å; I228-V272 HydrophobicContact CD1-CG2 4.03Å; V272-P274 WeakPolarHBondContact O-CD 3.35Å; V272-Q279 WeakPolarHBondContact CA-O 3.36Å; V272-L425 HydrophobicContact CG1-CD1 3.83Å; V272-L425 HydrophobicContact CG2-CD1 4.32Å; V272-L427 HydrophobicContact CB-CD1 4.5Å; V272-L427 HydrophobicContact CG1-CD1 4.09Å; V272-L427 HydrophobicContact CG2-CD1 3.99Å; V272-I429 HydrophobicContact CB-CD1 4.19Å; V272-I429 HydrophobicContact CG1-CD1 3.96Å
273K92Very high92.4Very high63 Ų6337 Ų3727%0.27419%0.19SC..EExtended strand (participates in β ladder)trans-97.1114.7169.7-165.5169.5-167.71480109.9D220 M221 S278 Q279 Y281D220-K273 WeakPolarHBondContact O-CD 3.19Å; D220-K273 PolarHBondContact O-NZ 2.81Å; D220-K273 VanDerWaalsContact OD2-CE 3.29Å; D220-K273 WeakPolarHBondContact OD2-CE 3.11Å; D220-K273 IonicContact OD2-NZ 3.81Å; D220-K273 PolarHBondContact OD2-NZ 3.3Å; M221-K273 PolarHBondContact O-N 2.99Å; K273-S278 WeakPolarHBondContact O-CA 3.49Å; K273-Q279 HydrophobicContact CB-CB 4.21Å; K273-Q279 PolarHBondContact N-O 3.39Å; K273-Q279 PolarHBondContact O-N 2.9Å; K273-Y281 HydrophobicContact CB-CE2 4.31Å
274P86.3Confident92.2Very high68 Ų6836.9 Ų36.944%0.44219%0.189SC..  trans-59.5153.4173.6-24.634.8000112.6V272 I429V272-P274 WeakPolarHBondContact O-CD 3.35Å; P274-I429 WeakPolarHBondContact CB-O 3.46Å; P274-I429 HydrophobicContact CG-CB 4.47Å; P274-I429 HydrophobicContact CG-CD1 4.05Å; P274-I429 WeakPolarHBondContact CG-O 3.48Å
275G81.4Confident92.2Very high43 Ų4336 Ų3644%0.44318%0.184SC..SBendtrans162.6176.7176.400000111.1K277 S278G275-K277 PolarHBondContact O-N 3.42Å; G275-K277 VanDerWaalsContact O-N 3.11Å; G275-S278 PolarHBondContact O-N 3.22Å
276Q70.4Confident92Very high191 Ų19136.4 Ų36.489%0.89319%0.187SC*.SBendtrans-55.2-32.3177.6-70.7-173.6-1000112.8
277K78.4Confident92Very high124 Ų12437.3 Ų37.354%0.53919%0.191SC..SBendtrans-123.298165-68.2-176.6176.1-176.90107.3D196 G275 Q279D196-K277 IonicContact OD2-NZ 2.83Å; D196-K277 PolarHBondContact OD2-NZ 2.9Å; G275-K277 PolarHBondContact O-N 3.42Å; G275-K277 VanDerWaalsContact O-N 3.11Å; K277-Q279 PolarHBondContact O-N 2.76Å
278S83.8Confident92Very high3 Ų337.8 Ų37.82%0.02120%0.195CC..  trans-51.9127.9177.3-46.20000110.2K273 G275 L425 C430K273-S278 WeakPolarHBondContact O-CA 3.49Å; G275-S278 PolarHBondContact O-N 3.22Å; S278-L425 PolarHBondContact OG-N 3.46Å; S278-L425 VanDerWaalsContact OG-N 3.12Å; S278-C430 PolarHBondContact OG-SG 2.82Å
279Q92Very high92.2Very high68 Ų6834.6 Ų34.632%0.31818%0.179SC..EExtended strand (participates in β ladder)trans-95.5135177.2-64175.7-20.200109.1F197 V272 K273 K277 Y281F197-Q279 HydrophobicContact CD2-CG 4.25Å; F197-Q279 HydrophobicContact CE1-CB 4.1Å; F197-Q279 HydrophobicContact CE2-CB 4.13Å; F197-Q279 HydrophobicContact CE2-CG 4.08Å; F197-Q279 HydrophobicContact CZ-CB 3.8Å; F197-Q279 HydrophobicContact CZ-CG 4.23Å; V272-Q279 WeakPolarHBondContact CA-O 3.36Å; K273-Q279 HydrophobicContact CB-CB 4.21Å; K273-Q279 PolarHBondContact N-O 3.39Å; K273-Q279 PolarHBondContact O-N 2.9Å; K277-Q279 PolarHBondContact O-N 2.76Å; Q279-Y281 HydrophobicContact CB-CD2 4.4Å; Q279-Y281 HydrophobicContact CB-CE2 3.64Å; Q279-Y281 PolarHBondContact OE1-OH 3.35Å
280V95.9Very high92.2Very high4 Ų438.1 Ų38.12%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-118.5116.2179-176.90000108.3F197 G199 L244 R247 I270 Y271 L425F197-V280 WeakPolarHBondContact CE1-O 3.42Å; G199-V280 WeakPolarHBondContact CA-O 3.29Å; L244-V280 HydrophobicContact CD2-CG1 3.97Å; L244-V280 HydrophobicContact CD2-CG2 4.03Å; R247-V280 HydrophobicContact CB-CB 4.35Å; R247-V280 VanDerWaalsContact CD-CG2 3.47Å; I270-V280 HydrophobicContact CG2-CG1 3.77Å; Y271-V280 CarbonylContact O-C 3.12Å; Y271-V280 WeakPolarHBondContact O-CA 3.26Å; V280-L425 HydrophobicContact CG2-CD1 3.23Å; V280-L425 HydrophobicContact CG2-CG 4.39Å
281Y97.8Very high92.3Very high33 Ų3338.5 Ų38.513%0.12919%0.193CC..EExtended strand (participates in β ladder)trans-103.8139.5177-60.5-92.1000109.5F197 G199 M221 I270 Y271 K273 Q279F197-Y281 HydrophobicContact CE2-CD1 4.47Å; F197-Y281 AromaticContact CE2-CE1 3.66Å; F197-Y281 HydrophobicContact CE2-CE1 3.66Å; F197-Y281 HydrophobicContact CE2-CE2 4.47Å; F197-Y281 AromaticContact CE2-CZ 3.66Å; F197-Y281 AromaticContact CZ-CD1 3.89Å; F197-Y281 HydrophobicContact CZ-CD1 3.89Å; F197-Y281 HydrophobicContact CZ-CD2 4.39Å; F197-Y281 AromaticContact CZ-CE1 3.51Å; F197-Y281 HydrophobicContact CZ-CE1 3.51Å; F197-Y281 HydrophobicContact CZ-CE2 4.04Å; F197-Y281 HydrophobicContact CZ-CG 4.32Å; F197-Y281 AromaticContact CZ-CZ 3.58Å; G199-Y281 WeakPolarHBondContact O-CA 3.49Å; M221-Y281 HydrophobicContact CB-CD2 3.84Å; M221-Y281 HydrophobicContact CB-CE2 4.29Å; M221-Y281 HydrophobicContact CB-CG 4.23Å; M221-Y281 HydrophobicContact CG-CD1 4.43Å; M221-Y281 HydrophobicContact CG-CD2 4.1Å; M221-Y281 HydrophobicContact CG-CE2 4.43Å; M221-Y281 HydrophobicContact CG-CG 4.11Å; M221-Y281 HydrophobicContact SD-CD1 4.01Å; M221-Y281 HydrophobicContact SD-CD2 4.35Å; M221-Y281 HydrophobicContact SD-CG 3.78Å; I270-Y281 CarbonylContact C-O 3.53Å; I270-Y281 WeakPolarHBondContact CA-O 3.13Å; Y271-Y281 PolarHBondContact N-O 3.05Å; Y271-Y281 PolarHBondContact O-N 3.32Å; K273-Y281 HydrophobicContact CB-CE2 4.31Å; Q279-Y281 HydrophobicContact CB-CD2 4.4Å; Q279-Y281 HydrophobicContact CB-CE2 3.64Å; Q279-Y281 PolarHBondContact OE1-OH 3.35Å
282L98.5Very high92.4Very high2 Ų238.5 Ų38.51%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-101.3106163.4-179.965.9000106.7G199 P201 V251 L252 N269 I270 Y285G199-L282 PolarHBondContact O-N 3.01Å; P201-L282 WeakPolarHBondContact CD-O 3.4Å; P201-L282 WeakPolarHBondContact CG-O 3.35Å; V251-L282 HydrophobicContact CG1-CB 3.97Å; V251-L282 HydrophobicContact CG1-CD2 3.83Å; V251-L282 HydrophobicContact CG1-CG 4.49Å; L252-L282 HydrophobicContact CD2-CD2 4.07Å; N269-L282 CarbonylContact O-C 3.58Å; I270-L282 HydrophobicContact CG1-CD1 4.02Å; L282-Y285 WeakPolarHBondContact O-CE2 3.23Å; L282-Y285 PolarHBondContact O-OH 3.29Å
283G96.4Very high92.5Very high2 Ų241.1 Ų41.12%0.02121%0.212CC..  trans-102.7-170.4173.700000111.7H262 N269H262-G283 PolarHBondContact NE2-O 3Å; N269-G283 WeakPolarHBondContact CB-O 3.41Å; N269-G283 PolarHBondContact O-N 3.24Å
284G94.4Very high92.7Very high3 Ų341.3 Ų41.33%0.03123%0.231CC..  trans81.443.4171.500000114.6E173 H262 N269 C286E173-G284 PolarHBondContact OE1-N 3.39Å; E173-G284 VanDerWaalsContact OE1-N 3.16Å; H262-G284 PolarHBondContact CE1-O 3.48Å; H262-G284 VanDerWaalsContact CE1-O 3.3Å; N269-G284 WeakPolarHBondContact OD1-CA 3.21Å; G284-C286 PolarHBondContact O-N 2.98Å
285Y97.1Very high93.1Very high0 Ų040.8 Ų40.80%024%0.238CC..G310 helixtrans-79.423.8-177.2-62.4-89.8000114.2E173 F176 I200 P201 I255 H262 L282 H287 A288E173-Y285 WeakPolarHBondContact CA-O 3.29Å; E173-Y285 PolarHBondContact N-O 2.91Å; E173-Y285 PolarHBondContact OE1-N 3.17Å; F176-Y285 AromaticContact CD1-CD1 3.59Å; F176-Y285 HydrophobicContact CD1-CD1 3.59Å; F176-Y285 AromaticContact CD1-CD2 3.78Å; F176-Y285 HydrophobicContact CD1-CD2 3.78Å; F176-Y285 HydrophobicContact CD1-CE1 4.2Å; F176-Y285 HydrophobicContact CD1-CE2 4.37Å; F176-Y285 AromaticContact CD1-CG 3.35Å; F176-Y285 HydrophobicContact CD1-CG 3.35Å; F176-Y285 HydrophobicContact CD2-CD1 4.39Å; F176-Y285 AromaticContact CE1-CD1 3.34Å; F176-Y285 HydrophobicContact CE1-CD1 3.34Å; F176-Y285 AromaticContact CE1-CD2 3.55Å; F176-Y285 HydrophobicContact CE1-CD2 3.55Å; F176-Y285 AromaticContact CE1-CE1 3.46Å; F176-Y285 HydrophobicContact CE1-CE1 3.46Å; F176-Y285 VanDerWaalsContact CE1-CE1 3.46Å; F176-Y285 AromaticContact CE1-CE2 3.67Å; F176-Y285 HydrophobicContact CE1-CE2 3.67Å; F176-Y285 AromaticContact CE1-CG 3.39Å; F176-Y285 HydrophobicContact CE1-CG 3.39Å; F176-Y285 AromaticContact CE1-CZ 3.64Å; F176-Y285 HydrophobicContact CE2-CD1 4.17Å; F176-Y285 HydrophobicContact CE2-CE1 4.24Å; F176-Y285 HydrophobicContact CG-CD1 4.12Å; F176-Y285 HydrophobicContact CG-CG 4.15Å; F176-Y285 AromaticContact CZ-CD1 3.66Å; F176-Y285 HydrophobicContact CZ-CD1 3.66Å; F176-Y285 AromaticContact CZ-CE1 3.48Å; F176-Y285 HydrophobicContact CZ-CE1 3.48Å; F176-Y285 VanDerWaalsContact CZ-CE1 3.48Å; F176-Y285 HydrophobicContact CZ-CE2 4.4Å; F176-Y285 HydrophobicContact CZ-CG 4.19Å; F176-Y285 AromaticContact CZ-CZ 3.91Å; I200-Y285 WeakPolarHBondContact CD1-OH 3.3Å; P201-Y285 HydrophobicContact CG-CE2 4.4Å; I255-Y285 HydrophobicContact CD1-CE1 4.34Å; I255-Y285 HydrophobicContact CG2-CE1 4.28Å; H262-Y285 AromaticContact CD2-CD1 3.73Å; H262-Y285 AromaticContact CD2-CE1 3.51Å; L282-Y285 WeakPolarHBondContact O-CE2 3.23Å; L282-Y285 PolarHBondContact O-OH 3.29Å; Y285-H287 PolarHBondContact O-N 3.23Å; Y285-A288 HydrophobicContact CD1-CB 4.11Å; Y285-A288 HydrophobicContact CG-CB 4.48Å; Y285-A288 WeakPolarHBondContact O-CB 3.47Å; Y285-A288 PolarHBondContact O-N 2.83Å; Y285-A288 VanDerWaalsContact O-N 3.07Å
286C95.1Very high93.9Very high9 Ų945.4 Ų45.46%0.06125%0.249CC..G310 helixtrans-61.7-30178.5-79.10000112.8R169 N172 G284R169-C286 HydrophobicContact CB-CB 3.85Å; N172-C286 WeakPolarHBondContact CB-O 3.4Å; N172-C286 PolarHBondContact ND2-O 3.5Å; N172-C286 VanDerWaalsContact ND2-O 3.16Å; G284-C286 PolarHBondContact O-N 2.98Å
287H95.8Very high95.3Very high23 Ų2337.6 Ų37.611%0.10621%0.212CC..G310 helixtrans-95.7-1.4175.9-72.9-83000113.7H262 A263 D264 Y285 F289 G310H262-H287 CarbonylContact O-C 3.58Å; A263-H287 HydrophobicContact CB-CB 4.34Å; D264-H287 HydrophobicContact CB-CB 3.87Å; D264-H287 IonicContact OD2-CD2 2.65Å; Y285-H287 PolarHBondContact O-N 3.23Å; H287-F289 PolarHBondContact O-N 3.37Å; H287-G310 PolarHBondContact CE1-N 3.24Å
288A97.5Very high96.2Very high13 Ų1333.2 Ų33.211%0.10720%0.196CC..  trans-57.5135.6-174.500000111.7F176 Y260 V261 H262 Y285F176-A288 HydrophobicContact CB-CB 4.27Å; F176-A288 HydrophobicContact CG-CB 4.38Å; Y260-A288 HydrophobicContact CD1-CB 4.32Å; V261-A288 CarbonylContact O-C 3.59Å; V261-A288 WeakPolarHBondContact O-CA 3.25Å; H262-A288 PolarHBondContact O-N 3.46Å; Y285-A288 HydrophobicContact CD1-CB 4.11Å; Y285-A288 HydrophobicContact CG-CB 4.48Å; Y285-A288 WeakPolarHBondContact O-CB 3.47Å; Y285-A288 PolarHBondContact O-N 2.83Å; Y285-A288 VanDerWaalsContact O-N 3.07Å
289F97.9Very high96.8Very high44 Ų4439.2 Ų39.219%0.19322%0.223CC..EExtended strand (participates in β ladder)trans-130.3133.2-174.4174.8-112.7000111.4Y260 V261 H287 Y291 V298 A324 P325Y260-F289 CarbonylContact C-O 3.58Å; Y260-F289 VanDerWaalsContact CA-O 3.3Å; Y260-F289 WeakPolarHBondContact CA-O 3.36Å; V261-F289 HydrophobicContact CG2-CB 3.83Å; V261-F289 HydrophobicContact CG2-CD1 4.18Å; V261-F289 WeakPolarHBondContact CG2-O 3.3Å; V261-F289 PolarHBondContact N-O 3.33Å; V261-F289 PolarHBondContact O-N 3.35Å; H287-F289 PolarHBondContact O-N 3.37Å; F289-Y291 PolarHBondContact O-N 2.8Å; F289-V298 HydrophobicContact CE1-CG1 4.27Å; F289-V298 HydrophobicContact CE1-CG2 4.05Å; F289-V298 HydrophobicContact CZ-CG1 4.08Å; F289-A324 HydrophobicContact CD1-CB 4.41Å; F289-A324 HydrophobicContact CE1-CB 3.58Å; F289-A324 HydrophobicContact CZ-CB 3.8Å; F289-P325 HydrophobicContact CB-CG 3.93Å; F289-P325 HydrophobicContact CD1-CG 3.97Å; F289-P325 WeakPolarHBondContact CD1-O 3.24Å; F289-P325 HydrophobicContact CG-CG 4.21Å
290R98.1Very high97.1Very high94 Ų9440 Ų4036%0.35522%0.224SC..EExtended strand (participates in β ladder)trans-80.687.1176.3-165.3178.1-178.9-167.52.3109.8E259 Y260 C292 P293E259-R290 HydrophobicContact CB-CG 4.05Å; E259-R290 CarbonylContact O-C 3.58Å; E259-R290 VanDerWaalsContact O-C 3.28Å; E259-R290 WeakPolarHBondContact O-CA 3.48Å; E259-R290 WeakPolarHBondContact O-CG 3.48Å; E259-R290 IonicContact OE2-CZ 2.85Å; E259-R290 IonicContact OE2-NE 2.65Å; E259-R290 PolarHBondContact OE2-NE 2.83Å; E259-R290 IonicContact OE2-NH2 3.1Å; E259-R290 PolarHBondContact OE2-NH2 3.31Å; Y260-R290 HydrophobicContact CD1-CB 4.2Å; Y260-R290 HydrophobicContact CD2-CG 4.3Å; Y260-R290 HydrophobicContact CE1-CB 3.83Å; Y260-R290 HydrophobicContact CE1-CG 4.47Å; Y260-R290 HydrophobicContact CE2-CB 4.17Å; Y260-R290 HydrophobicContact CE2-CG 3.91Å; R290-C292 VanDerWaalsContact C-N 3.33Å; R290-C292 PolarHBondContact O-N 3.05Å; R290-P293 HydrophobicContact CG-CB 4.23Å; R290-P293 WeakPolarHBondContact O-CD 3.48Å
291Y98.4Very high97.2Very high7 Ų746.9 Ų46.93%0.02725%0.249CC..SBendtrans-75.2-17.3-174.881.9-78.3000114.2H256 E259 V261 F289 H297 V298 R327H256-Y291 PolarHBondContact O-OH 3.38Å; E259-Y291 WeakPolarHBondContact O-CD1 3.39Å; E259-Y291 PolarHBondContact O-N 3Å; V261-Y291 HydrophobicContact CG1-CD1 3.64Å; V261-Y291 HydrophobicContact CG1-CE1 4.27Å; V261-Y291 HydrophobicContact CG1-CG 3.94Å; F289-Y291 PolarHBondContact O-N 2.8Å; Y291-H297 AromaticContact CD2-CD2 3.54Å; Y291-H297 AromaticContact CD2-NE2 3.37Å; Y291-H297 WeakPolarHBondContact CD2-NE2 3.23Å; Y291-H297 AromaticContact CE2-CD2 3.56Å; Y291-H297 AromaticContact CE2-NE2 3.68Å; Y291-V298 WeakPolarHBondContact O-CG1 3.43Å; Y291-V298 WeakPolarHBondContact O-CG2 3.44Å; Y291-V298 PolarHBondContact O-N 3.2Å; Y291-R327 HydrophobicContact CD2-CG 4.43Å; Y291-R327 HydrophobicContact CE1-CG 4.19Å; Y291-R327 HydrophobicContact CE2-CG 3.7Å; Y291-R327 VanDerWaalsContact OH-CD 3.29Å; Y291-R327 WeakPolarHBondContact OH-CD 3.49Å
292C98.2Very high97.2Very high15 Ų1549.9 Ų49.910%0.10127%0.265CS..SBendtrans-134.451.5-174.4-158.80000113.2E259 R290 G294 G295 Q296 H297E259-C292 HydrophobicContact CB-CB 4.03Å; E259-C292 WeakPolarHBondContact CB-O 3.14Å; E259-C292 HydrophobicContact CG-CB 4.35Å; E259-C292 WeakPolarHBondContact CG-O 3.43Å; E259-C292 PolarHBondContact O-N 2.85Å; E259-C292 VanDerWaalsContact OE1-O 3.12Å; R290-C292 VanDerWaalsContact C-N 3.33Å; R290-C292 PolarHBondContact O-N 3.05Å; C292-G294 PolarHBondContact O-N 3.22Å; C292-G294 VanDerWaalsContact O-N 3.15Å; C292-G295 PolarHBondContact O-N 3.47Å; C292-G295 PolarHBondContact SG-O 3.28Å; C292-G295 VanDerWaalsContact SG-O 3.4Å; C292-Q296 CarbonylContact C-O 3.47Å; C292-Q296 WeakPolarHBondContact CA-O 3.49Å; C292-H297 PolarHBondContact SG-N 3.43Å; C292-H297 VanDerWaalsContact SG-N 3.44Å
293P96.9Very high97.1Very high55 Ų5554.8 Ų54.836%0.35730%0.299SS..G310 helixtrans-60.8119.7-172.326.8-35.7000112.1R290 G295 Q296R290-P293 HydrophobicContact CG-CB 4.23Å; R290-P293 WeakPolarHBondContact O-CD 3.48Å; P293-G295 VanDerWaalsContact C-N 3.31Å; P293-Q296 VanDerWaalsContact CD-O 3.3Å; P293-Q296 WeakPolarHBondContact CD-O 3.46Å; P293-Q296 PolarHBondContact O-N 2.98Å
294G96.3Very high97Very high66 Ų6657.8 Ų57.868%0.6832%0.32SS*.G310 helixtrans7029.4-178.300000113E259 C292 Q296E259-G294 VanDerWaalsContact OE1-CA 3.27Å; E259-G294 WeakPolarHBondContact OE1-CA 3.09Å; E259-G294 PolarHBondContact OE1-N 3.07Å; E259-G294 PolarHBondContact OE2-N 3.06Å; C292-G294 PolarHBondContact O-N 3.22Å; C292-G294 VanDerWaalsContact O-N 3.15Å; G294-Q296 PolarHBondContact O-N 2.78Å
295G95.9Very high97Very high57 Ų5761 Ų6159%0.58833%0.331SS*.G310 helixtrans72.34-174.900000114.8E259 C292 P293E259-G295 PolarHBondContact OE1-N 2.88Å; C292-G295 PolarHBondContact O-N 3.47Å; C292-G295 PolarHBondContact SG-O 3.28Å; C292-G295 VanDerWaalsContact SG-O 3.4Å; P293-G295 VanDerWaalsContact C-N 3.31Å
296Q97.6Very high96.8Very high141 Ų14165.8 Ų65.866%0.65935%0.354SS*.  trans-95.8108177.2-173.464.842.700110C292 P293 G294 V298C292-Q296 CarbonylContact C-O 3.47Å; C292-Q296 WeakPolarHBondContact CA-O 3.49Å; P293-Q296 VanDerWaalsContact CD-O 3.3Å; P293-Q296 WeakPolarHBondContact CD-O 3.46Å; P293-Q296 PolarHBondContact O-N 2.98Å; G294-Q296 PolarHBondContact O-N 2.78Å; Q296-V298 PolarHBondContact O-N 2.7Å
297H98.5Very high96.8Very high26 Ų2668.1 Ų68.112%0.1237%0.37CS..PPolyproline II helixtrans-62.1135.3176.5-161.2-66.5000110.4Y291 C292 Y397Y291-H297 AromaticContact CD2-CD2 3.54Å; Y291-H297 AromaticContact CD2-NE2 3.37Å; Y291-H297 WeakPolarHBondContact CD2-NE2 3.23Å; Y291-H297 AromaticContact CE2-CD2 3.56Å; Y291-H297 AromaticContact CE2-NE2 3.68Å; C292-H297 PolarHBondContact SG-N 3.43Å; C292-H297 VanDerWaalsContact SG-N 3.44Å; H297-Y397 AromaticContact CE1-CD1 3.99Å; H297-Y397 AromaticContact CE1-CE1 3.73Å; H297-Y397 PolarHBondContact NE2-O 2.93Å
298V97.6Very high96.7Very high33 Ų3370 Ų7020%0.238%0.378CS..PPolyproline II helixtrans-61.8145.5174.2-65.30000111F289 Y291 Q296 A324 Y397F289-V298 HydrophobicContact CE1-CG1 4.27Å; F289-V298 HydrophobicContact CE1-CG2 4.05Å; F289-V298 HydrophobicContact CZ-CG1 4.08Å; Y291-V298 WeakPolarHBondContact O-CG1 3.43Å; Y291-V298 WeakPolarHBondContact O-CG2 3.44Å; Y291-V298 PolarHBondContact O-N 3.2Å; Q296-V298 PolarHBondContact O-N 2.7Å; V298-A324 HydrophobicContact CG2-CB 3.99Å; V298-Y397 HydrophobicContact CG2-CE1 4.48Å; V298-Y397 WeakPolarHBondContact O-CE1 3.14Å
299E97.8Very high96.5Very high128 Ų12870.8 Ų70.860%0.59838%0.38SS*.PPolyproline II helixtrans-74.9146.8176.1-68.6-179.8176.100111.4R301E299-R301 PolarHBondContact O-N 3.08Å; E299-R301 IonicContact OE2-CZ 3.76Å; E299-R301 IonicContact OE2-NE 2.78Å; E299-R301 PolarHBondContact OE2-NE 3.27Å; E299-R301 IonicContact OE2-NH2 3.04Å; E299-R301 PolarHBondContact OE2-NH2 2.95Å
300Y98.3Very high96.2Very high84 Ų8469.8 Ų69.833%0.32938%0.382SS..PPolyproline II helixtrans-68.5117.9172.7-173.2-102.5000110.6E302 D318 A323 Y397Y300-E302 HydrophobicContact CE1-CG 3.69Å; Y300-E302 PolarHBondContact OH-OE1 3.19Å; Y300-D318 WeakPolarHBondContact CE2-OD1 3.48Å; Y300-A323 HydrophobicContact CD2-CB 4.16Å; Y300-A323 HydrophobicContact CE2-CB 3.66Å; Y300-Y397 AromaticContact CD2-CD1 4Å; Y300-Y397 HydrophobicContact CD2-CD1 4Å; Y300-Y397 AromaticContact CD2-CD2 3.6Å; Y300-Y397 HydrophobicContact CD2-CD2 3.6Å; Y300-Y397 HydrophobicContact CD2-CE1 4.09Å; Y300-Y397 AromaticContact CD2-CE2 3.7Å; Y300-Y397 HydrophobicContact CD2-CE2 3.7Å; Y300-Y397 AromaticContact CD2-CG 3.74Å; Y300-Y397 HydrophobicContact CD2-CG 3.74Å; Y300-Y397 AromaticContact CD2-CZ 3.95Å; Y300-Y397 HydrophobicContact CE2-CD2 4.18Å; Y300-Y397 HydrophobicContact CE2-CE2 4.3Å; Y300-Y397 HydrophobicContact CG-CD1 4.32Å; Y300-Y397 HydrophobicContact CG-CE1 4.5Å; Y300-Y397 HydrophobicContact CG-CG 4.36Å
301R97.8Very high96.1Very high149 Ų14966.7 Ų66.756%0.56238%0.376SS*.  trans-144.1109175.1-63.1-175.9-174.2-176.90.4109.5E299 S304 A323E299-R301 PolarHBondContact O-N 3.08Å; E299-R301 IonicContact OE2-CZ 3.76Å; E299-R301 IonicContact OE2-NE 2.78Å; E299-R301 PolarHBondContact OE2-NE 3.27Å; E299-R301 IonicContact OE2-NH2 3.04Å; E299-R301 PolarHBondContact OE2-NH2 2.95Å; R301-S304 WeakPolarHBondContact O-CB 3.46Å; R301-S304 PolarHBondContact O-N 3.41Å; R301-S304 PolarHBondContact O-OG 3.36Å; R301-A323 WeakPolarHBondContact O-CA 3.38Å
302E97.3Very high95.9Very high96 Ų9669.4 Ų69.445%0.44939%0.39SS..THydrogen-bonded Turntrans-60.5149.6170.1-61.3-172.5175.500109.9Y300 S304 K321Y300-E302 HydrophobicContact CE1-CG 3.69Å; Y300-E302 PolarHBondContact OH-OE1 3.19Å; E302-S304 PolarHBondContact O-N 2.87Å; E302-K321 HydrophobicContact CG-CB 4.11Å; E302-K321 HydrophobicContact CG-CD 4.36Å; E302-K321 WeakPolarHBondContact OE1-CD 3.48Å; E302-K321 WeakPolarHBondContact OE1-CE 3.33Å; E302-K321 IonicContact OE1-NZ 3.25Å; E302-K321 PolarHBondContact OE1-NZ 2.91Å
303S95.6Very high95.8Very high105 Ų10571.1 Ų71.173%0.73440%0.397SS*.THydrogen-bonded Turntrans56.218.4-178.2-520000115.3K321 G322S303-K321 PolarHBondContact N-O 3.36Å; S303-G322 CarbonylContact C-O 3.39Å; S303-G322 PolarHBondContact N-O 3.26Å
304S94.4Very high95.9Very high65 Ų6569.4 Ų69.446%0.45538%0.384SS..SBendtrans-76.8-16.1172.959.30000112.7R301 E302 G322R301-S304 WeakPolarHBondContact O-CB 3.46Å; R301-S304 PolarHBondContact O-N 3.41Å; R301-S304 PolarHBondContact O-OG 3.36Å; E302-S304 PolarHBondContact O-N 2.87Å; S304-G322 PolarHBondContact N-O 3.29Å; S304-G322 PolarHBondContact OG-O 2.88Å
305R94.6Very high96Very high71 Ų7166.3 Ų66.327%0.26835%0.352SS..SBendtrans-136.6171.1-179.8-63.3-168.362161.7-7.8110.6E309 G322R305-E309 IonicContact CZ-OE2 2.75Å; R305-E309 IonicContact NE-OE2 2.69Å; R305-E309 IonicContact NH2-OE2 3.38Å; R305-E309 PolarHBondContact NH2-OE2 2.7Å; R305-G322 PolarHBondContact N-O 3.43Å; R305-G322 WeakPolarHBondContact O-CA 3.49Å
306M92.7Very high96.1Very high100 Ų10063.6 Ų63.649%0.49332%0.324SS..  trans-59.7128.3169.9-64.3-56.2-66.400109.3E309M306-E309 HydrophobicContact CB-CG 3.87Å; M306-E309 WeakPolarHBondContact O-CG 3.38Å
307P95.1Very high96.1Very high59 Ų5957.2 Ų57.238%0.38329%0.294SS..THydrogen-bonded Turntrans-73.6157.5174.731.4-34.7000110.4E309 H320P307-E309 VanDerWaalsContact C-N 3.28Å; P307-E309 PolarHBondContact O-N 2.65Å; P307-H320 WeakPolarHBondContact CB-O 3.33Å
308H94.9Very high96.1Very high62 Ų6256.1 Ų56.129%0.28729%0.289SS..THydrogen-bonded Turntrans6426.7172.4-42.2-51.3000114.8I315 T319 H320 P354H308-I315 HydrophobicContact CB-CD1 4.34Å; H308-T319 PolarHBondContact N-O 2.83Å; H308-H320 AromaticContact CE1-ND1 3.57Å; H308-H320 PolarHBondContact CE1-O 3.45Å; H308-H320 AromaticContact ND1-CG 3.74Å; H308-H320 AromaticContact ND1-ND1 3.04Å; H308-H320 PolarHBondContact ND1-ND1 2.91Å; H308-H320 PolarHBondContact ND1-O 3.47Å; H308-P354 VanDerWaalsContact CE1-CB 3.48Å; H308-P354 WeakPolarHBondContact CE1-CB 3.44Å; H308-P354 WeakPolarHBondContact NE2-CB 3.26Å
309E92.6Very high96.1Very high29 Ų2954.9 Ų54.914%0.13628%0.282CS..  trans-71.1126.4173-64.3-163.199.200111.2R169 R305 M306 P307 I315 T319R169-E309 IonicContact CZ-OE1 2.7Å; R169-E309 VanDerWaalsContact CZ-OE1 3.25Å; R169-E309 IonicContact NH1-OE1 2.7Å; R169-E309 PolarHBondContact NH1-OE1 3.37Å; R169-E309 IonicContact NH2-OE1 3.6Å; R169-E309 PolarHBondContact NH2-OE1 2.74Å; R305-E309 IonicContact CZ-OE2 2.75Å; R305-E309 IonicContact NE-OE2 2.69Å; R305-E309 IonicContact NH2-OE2 3.38Å; R305-E309 PolarHBondContact NH2-OE2 2.7Å; M306-E309 HydrophobicContact CB-CG 3.87Å; M306-E309 WeakPolarHBondContact O-CG 3.38Å; P307-E309 VanDerWaalsContact C-N 3.28Å; P307-E309 PolarHBondContact O-N 2.65Å; E309-I315 VanDerWaalsContact O-CG2 3.24Å; E309-I315 WeakPolarHBondContact O-CG2 3.12Å; E309-T319 HydrophobicContact CB-CG2 4.41Å; E309-T319 WeakPolarHBondContact O-CG2 3.44Å
310G92.6Very high96.1Very high23 Ų2349.1 Ų49.124%0.23725%0.254CS..SBendtrans101.6-172.5-179.500000113D264 H287 M312D264-G310 WeakPolarHBondContact OD1-CA 3.38Å; H287-G310 PolarHBondContact CE1-N 3.24Å; G310-M312 PolarHBondContact O-N 3.33Å
311A94.6Very high96.1Very high29 Ų2948.1 Ų48.124%0.2425%0.252CS..  trans-66.1106.4-179.700000111.4D264 N266 E313 F314 I315D264-A311 PolarHBondContact OD1-N 2.79Å; N266-A311 HydrophobicContact CB-CB 4.46Å; A311-E313 PolarHBondContact O-N 3.42Å; A311-F314 HydrophobicContact CB-CD2 3.65Å; A311-F314 HydrophobicContact CB-CE2 4.31Å; A311-F314 PolarHBondContact O-N 2.88Å; A311-I315 VanDerWaalsContact O-CG2 3.3Å; A311-I315 WeakPolarHBondContact O-CG2 3.41Å; A311-I315 PolarHBondContact O-N 3.23Å
312M95.6Very high96.1Very high65 Ų6541.1 Ų41.132%0.3223%0.226SC..THydrogen-bonded Turntrans-51.8-33.6-172-168.6-177.3-52.400113.4G310 F314 H320 P354 V357 K361G310-M312 PolarHBondContact O-N 3.33Å; M312-F314 VanDerWaalsContact C-N 3.35Å; M312-F314 PolarHBondContact O-N 3.12Å; M312-H320 PolarHBondContact O-NE2 2.65Å; M312-P354 HydrophobicContact CE-CB 4.4Å; M312-P354 HydrophobicContact CE-CG 3.72Å; M312-P354 HydrophobicContact SD-CB 4.07Å; M312-P354 HydrophobicContact SD-CG 3.88Å; M312-V357 HydrophobicContact SD-CG2 4.25Å; M312-K361 PolarHBondContact O-NZ 3.32Å
313E96.3Very high96.1Very high51 Ų5136.6 Ų36.624%0.23821%0.205CC..THydrogen-bonded Turntrans-64.2-35.8177.6-175.3167.6-132.900112.8A311 L346 W348 S349 K361A311-E313 PolarHBondContact O-N 3.42Å; E313-L346 HydrophobicContact CG-CD1 3.62Å; E313-W348 PolarHBondContact O-NE1 3.42Å; E313-S349 WeakPolarHBondContact OE1-CA 3.36Å; E313-S349 VanDerWaalsContact OE1-CB 3.28Å; E313-S349 WeakPolarHBondContact OE1-CB 3.34Å; E313-S349 PolarHBondContact OE1-OG 3.43Å; E313-K361 WeakPolarHBondContact O-CE 3.4Å; E313-K361 PolarHBondContact O-NZ 2.89Å
314F98Very high96.2Very high19 Ų1931.9 Ų31.98%0.08317%0.173CC..THydrogen-bonded Turntrans-108.5-19.7-172.1-49.1-63.3000114.7N266 A311 M312 S333 Y336 C337 L340 L346N266-F314 HydrophobicContact CB-CD2 3.54Å; N266-F314 HydrophobicContact CB-CE2 3.74Å; N266-F314 HydrophobicContact CB-CG 4.45Å; A311-F314 HydrophobicContact CB-CD2 3.65Å; A311-F314 HydrophobicContact CB-CE2 4.31Å; A311-F314 PolarHBondContact O-N 2.88Å; M312-F314 VanDerWaalsContact C-N 3.35Å; M312-F314 PolarHBondContact O-N 3.12Å; F314-S333 VanDerWaalsContact O-CA 3.29Å; F314-S333 WeakPolarHBondContact O-CA 3.4Å; F314-S333 VanDerWaalsContact O-CB 3.27Å; F314-S333 WeakPolarHBondContact O-CB 3.33Å; F314-S333 PolarHBondContact O-OG 2.99Å; F314-Y336 WeakPolarHBondContact O-CD2 3.21Å; F314-C337 VanDerWaalsContact CD1-SG 3.51Å; F314-L340 HydrophobicContact CE1-CB 4.11Å; F314-L340 HydrophobicContact CE1-CD2 3.49Å; F314-L340 VanDerWaalsContact CE1-CD2 3.49Å; F314-L340 HydrophobicContact CE1-CG 4.38Å; F314-L340 HydrophobicContact CZ-CD2 3.32Å; F314-L346 HydrophobicContact CD1-CD1 4.38Å; F314-L346 HydrophobicContact CE1-CD1 4.24Å
315I98Very high96.4Very high1 Ų129 Ų291%0.00515%0.152CC..  trans-62.2150.2-17761166.9000111.9H308 E309 A311 T319 H320 K361H308-I315 HydrophobicContact CB-CD1 4.34Å; E309-I315 VanDerWaalsContact O-CG2 3.24Å; E309-I315 WeakPolarHBondContact O-CG2 3.12Å; A311-I315 VanDerWaalsContact O-CG2 3.3Å; A311-I315 WeakPolarHBondContact O-CG2 3.41Å; A311-I315 PolarHBondContact O-N 3.23Å; I315-T319 HydrophobicContact CB-CG2 4.09Å; I315-T319 HydrophobicContact CD1-CG2 4.05Å; I315-T319 HydrophobicContact CG2-CG2 4.3Å; I315-H320 WeakPolarHBondContact CG1-NE2 3.45Å; I315-K361 PolarHBondContact O-NZ 3.16Å
316S98.1Very high96.6Very high0 Ų025.7 Ų25.70%014%0.14CC..  trans-69.9164.6-179.974.80000113.4D318 T319 H320 S329S316-D318 PolarHBondContact O-N 3.4Å; S316-D318 PolarHBondContact OG-N 2.93Å; S316-T319 PolarHBondContact O-N 2.92Å; S316-T319 PolarHBondContact OG-N 3.27Å; S316-T319 PolarHBondContact OG-OG1 3.1Å; S316-H320 PolarHBondContact O-CD2 3.41Å; S316-H320 VanDerWaalsContact O-CD2 3.29Å; S316-H320 PolarHBondContact O-N 3.41Å; S316-S329 VanDerWaalsContact OG-CB 3.26Å; S316-S329 WeakPolarHBondContact OG-CB 3.38Å; S316-S329 PolarHBondContact OG-OG 3.07Å; S316-S329 VanDerWaalsContact OG-OG 3.04Å
317L98Very high96.9Very high6 Ų622.1 Ų22.13%0.03112%0.121CC..Hα-helixtrans-60.3-32.5171.1-74.1171.5000112.7T319 H320 K321 T358 K361 Q362 M365L317-T319 VanDerWaalsContact C-N 3.33Å; L317-H320 PolarHBondContact O-N 2.96Å; L317-K321 WeakPolarHBondContact O-CB 3.48Å; L317-K321 WeakPolarHBondContact O-CD 3.34Å; L317-K321 VanDerWaalsContact O-CG 3.25Å; L317-K321 WeakPolarHBondContact O-CG 3.29Å; L317-K321 PolarHBondContact O-N 3.4Å; L317-T358 HydrophobicContact CD2-CG2 3.77Å; L317-T358 WeakPolarHBondContact CD2-O 3.36Å; L317-K361 HydrophobicContact CD2-CB 3.69Å; L317-K361 HydrophobicContact CG-CB 4.12Å; L317-Q362 HydrophobicContact CD1-CB 4.18Å; L317-Q362 HydrophobicContact CD2-CB 4.16Å; L317-M365 HydrophobicContact CD1-CB 4.23Å; L317-M365 HydrophobicContact CD1-SD 3.54Å; L317-M365 VanDerWaalsContact CD1-SD 3.54Å
318D98.2Very high97.1Very high4 Ų420.7 Ų20.72%0.02111%0.108CC..Hα-helixtrans-60.5-46.6175.8-64.1-29.9000110.1Y300 S316 K321 G322 A323 R328 Y397Y300-D318 WeakPolarHBondContact CE2-OD1 3.48Å; S316-D318 PolarHBondContact O-N 3.4Å; S316-D318 PolarHBondContact OG-N 2.93Å; D318-K321 PolarHBondContact O-N 3.07Å; D318-G322 PolarHBondContact O-N 2.86Å; D318-A323 HydrophobicContact CB-CB 4.24Å; D318-A323 WeakPolarHBondContact O-CB 3.34Å; D318-A323 PolarHBondContact O-N 2.85Å; D318-R328 VanDerWaalsContact CG-NH2 3.31Å; D318-R328 IonicContact OD1-CZ 3.53Å; D318-R328 IonicContact OD1-NE 2.87Å; D318-R328 IonicContact OD1-NH2 3.35Å; D318-R328 PolarHBondContact OD1-NH2 3.48Å; D318-R328 IonicContact OD2-CZ 3.14Å; D318-R328 IonicContact OD2-NE 2.77Å; D318-R328 PolarHBondContact OD2-NE 2.97Å; D318-R328 IonicContact OD2-NH2 2.81Å; D318-R328 PolarHBondContact OD2-NH2 2.84Å; D318-Y397 WeakPolarHBondContact OD2-CD2 3.31Å
319T97.7Very high97.3Very high7 Ų717.8 Ų17.84%0.0439%0.094CC..Hα-helixtrans-66.4-39.8177.4-44.60000112.2H308 E309 I315 S316 L317 K321 G322H308-T319 PolarHBondContact N-O 2.83Å; E309-T319 HydrophobicContact CB-CG2 4.41Å; E309-T319 WeakPolarHBondContact O-CG2 3.44Å; I315-T319 HydrophobicContact CB-CG2 4.09Å; I315-T319 HydrophobicContact CD1-CG2 4.05Å; I315-T319 HydrophobicContact CG2-CG2 4.3Å; S316-T319 PolarHBondContact O-N 2.92Å; S316-T319 PolarHBondContact OG-N 3.27Å; S316-T319 PolarHBondContact OG-OG1 3.1Å; L317-T319 VanDerWaalsContact C-N 3.33Å; T319-K321 PolarHBondContact O-N 3Å; T319-G322 PolarHBondContact O-N 3.13Å; T319-G322 VanDerWaalsContact O-N 3.13Å
320H98.1Very high97.6Very high6 Ų616.4 Ų16.43%0.0289%0.088CC..Hα-helixtrans-59.6-33.4173.5-82.8-78.2000112.6P307 H308 M312 I315 S316 L317 G322 T358 K361P307-H320 WeakPolarHBondContact CB-O 3.33Å; H308-H320 AromaticContact CE1-ND1 3.57Å; H308-H320 PolarHBondContact CE1-O 3.45Å; H308-H320 AromaticContact ND1-CG 3.74Å; H308-H320 AromaticContact ND1-ND1 3.04Å; H308-H320 PolarHBondContact ND1-ND1 2.91Å; H308-H320 PolarHBondContact ND1-O 3.47Å; M312-H320 PolarHBondContact O-NE2 2.65Å; I315-H320 WeakPolarHBondContact CG1-NE2 3.45Å; S316-H320 PolarHBondContact O-CD2 3.41Å; S316-H320 VanDerWaalsContact O-CD2 3.29Å; S316-H320 PolarHBondContact O-N 3.41Å; L317-H320 PolarHBondContact O-N 2.96Å; H320-G322 VanDerWaalsContact C-N 3.29Å; H320-G322 PolarHBondContact O-N 3.32Å; H320-T358 HydrophobicContact CB-CG2 4.1Å; H320-T358 WeakPolarHBondContact CB-OG1 3.29Å; H320-T358 PolarHBondContact ND1-OG1 2.89Å; H320-K361 PolarHBondContact NE2-NZ 2.98Å
321K97.9Very high97.9Very high64 Ų6415.3 Ų15.328%0.2788%0.077SC..THydrogen-bonded Turntrans-85.74.1179.5-68.7166.3160.2-1500113.8E302 S303 L317 D318 T319 A323E302-K321 HydrophobicContact CG-CB 4.11Å; E302-K321 HydrophobicContact CG-CD 4.36Å; E302-K321 WeakPolarHBondContact OE1-CD 3.48Å; E302-K321 WeakPolarHBondContact OE1-CE 3.33Å; E302-K321 IonicContact OE1-NZ 3.25Å; E302-K321 PolarHBondContact OE1-NZ 2.91Å; S303-K321 PolarHBondContact N-O 3.36Å; L317-K321 WeakPolarHBondContact O-CB 3.48Å; L317-K321 WeakPolarHBondContact O-CD 3.34Å; L317-K321 VanDerWaalsContact O-CG 3.25Å; L317-K321 WeakPolarHBondContact O-CG 3.29Å; L317-K321 PolarHBondContact O-N 3.4Å; D318-K321 PolarHBondContact O-N 3.07Å; T319-K321 PolarHBondContact O-N 3Å; K321-A323 PolarHBondContact O-N 3.4Å
322G97.6Very high98.1Very high1 Ų114 Ų141%0.017%0.066CC..THydrogen-bonded Turntrans63.923.2-17400000113S303 S304 R305 D318 T319 H320S303-G322 CarbonylContact C-O 3.39Å; S303-G322 PolarHBondContact N-O 3.26Å; S304-G322 PolarHBondContact N-O 3.29Å; S304-G322 PolarHBondContact OG-O 2.88Å; R305-G322 PolarHBondContact N-O 3.43Å; R305-G322 WeakPolarHBondContact O-CA 3.49Å; D318-G322 PolarHBondContact O-N 2.86Å; T319-G322 PolarHBondContact O-N 3.13Å; T319-G322 VanDerWaalsContact O-N 3.13Å; H320-G322 VanDerWaalsContact C-N 3.29Å; H320-G322 PolarHBondContact O-N 3.32Å
323A98.1Very high98.2Very high2 Ų211 Ų112%0.0175%0.051CC..PPolyproline II helixtrans-81.3155.2166.900000110Y300 R301 D318 K321Y300-A323 HydrophobicContact CD2-CB 4.16Å; Y300-A323 HydrophobicContact CE2-CB 3.66Å; R301-A323 WeakPolarHBondContact O-CA 3.38Å; D318-A323 HydrophobicContact CB-CB 4.24Å; D318-A323 WeakPolarHBondContact O-CB 3.34Å; D318-A323 PolarHBondContact O-N 2.85Å; K321-A323 PolarHBondContact O-N 3.4Å
324A98.1Very high98.4Very high6 Ų68.6 Ų8.65%0.054%0.04CC..PPolyproline II helixtrans-62131.1174.200000110.8F289 V298 Y397F289-A324 HydrophobicContact CD1-CB 4.41Å; F289-A324 HydrophobicContact CE1-CB 3.58Å; F289-A324 HydrophobicContact CZ-CB 3.8Å; V298-A324 HydrophobicContact CG2-CB 3.99Å; A324-Y397 VanDerWaalsContact O-CE2 3.25Å; A324-Y397 WeakPolarHBondContact O-CE2 3.49Å; A324-Y397 PolarHBondContact O-OH 3.18Å
325P98.4Very high98.4Very high5 Ų57.7 Ų7.73%0.0324%0.036CC..PPolyproline II helixtrans-65.8147.4176.828.1-34.2000110.4V261 A263 F289V261-P325 HydrophobicContact CG2-CB 4Å; V261-P325 HydrophobicContact CG2-CG 3.88Å; A263-P325 HydrophobicContact CB-CB 3.8Å; A263-P325 HydrophobicContact CB-CG 3.61Å; F289-P325 HydrophobicContact CB-CG 3.93Å; F289-P325 HydrophobicContact CD1-CG 3.97Å; F289-P325 WeakPolarHBondContact CD1-O 3.24Å; F289-P325 HydrophobicContact CG-CG 4.21Å
326S98.8Very high98.4Very high0 Ų07.7 Ų7.70%04%0.036CC..  trans-131.5-178.4-179.3670000110.6V261 R328 S329 Y397V261-S326 WeakPolarHBondContact CG1-O 3.44Å; S326-R328 PolarHBondContact O-N 3.34Å; S326-R328 WeakPolarHBondContact OG-CG 3.29Å; S326-S329 PolarHBondContact N-OG 2.83Å; S326-S329 VanDerWaalsContact N-OG 3.09Å; S326-S329 WeakPolarHBondContact O-CA 3.49Å; S326-S329 WeakPolarHBondContact O-CB 3.27Å; S326-S329 PolarHBondContact O-N 2.71Å; S326-S329 PolarHBondContact O-OG 2.86Å; S326-Y397 WeakPolarHBondContact CB-O 3.27Å; S326-Y397 WeakPolarHBondContact OG-CD2 3.49Å; S326-Y397 PolarHBondContact OG-O 3.23Å
327R98.9Very high98.4Very high25 Ų257.7 Ų7.79%0.0944%0.036CC..Hα-helixtrans-53.7-38.3-179.3-65.7176.1-78-153.5-2.5113.4H256 Y291 S329 L331 T398 E399 E400 P401H256-R327 HydrophobicContact CB-CG 4.04Å; Y291-R327 HydrophobicContact CD2-CG 4.43Å; Y291-R327 HydrophobicContact CE1-CG 4.19Å; Y291-R327 HydrophobicContact CE2-CG 3.7Å; Y291-R327 VanDerWaalsContact OH-CD 3.29Å; Y291-R327 WeakPolarHBondContact OH-CD 3.49Å; R327-S329 VanDerWaalsContact C-N 3.28Å; R327-S329 PolarHBondContact O-N 3.27Å; R327-L331 PolarHBondContact O-N 2.92Å; R327-T398 PolarHBondContact NH2-O 3.46Å; R327-E399 VanDerWaalsContact CZ-O 3.28Å; R327-E399 PolarHBondContact NE-O 2.86Å; R327-E399 VanDerWaalsContact NH2-C 3.35Å; R327-E399 PolarHBondContact NH2-O 3.07Å; R327-E399 VanDerWaalsContact NH2-O 3.12Å; R327-E400 IonicContact NH1-OE2 2.81Å; R327-P401 HydrophobicContact CB-CG 3.95Å
328R98.7Very high98.5Very high29 Ų297.5 Ų7.511%0.1094%0.035CC..Hα-helixtrans-68.6-28.5177.474178.4-175.6-176.1-0.8112.3D318 S326 L331 Q332 L395 Y397D318-R328 VanDerWaalsContact CG-NH2 3.31Å; D318-R328 IonicContact OD1-CZ 3.53Å; D318-R328 IonicContact OD1-NE 2.87Å; D318-R328 IonicContact OD1-NH2 3.35Å; D318-R328 PolarHBondContact OD1-NH2 3.48Å; D318-R328 IonicContact OD2-CZ 3.14Å; D318-R328 IonicContact OD2-NE 2.77Å; D318-R328 PolarHBondContact OD2-NE 2.97Å; D318-R328 IonicContact OD2-NH2 2.81Å; D318-R328 PolarHBondContact OD2-NH2 2.84Å; S326-R328 PolarHBondContact O-N 3.34Å; S326-R328 WeakPolarHBondContact OG-CG 3.29Å; R328-L331 PolarHBondContact O-N 3.44Å; R328-Q332 WeakPolarHBondContact O-CB 3.32Å; R328-Q332 WeakPolarHBondContact O-CG 3.37Å; R328-Q332 PolarHBondContact O-N 2.76Å; R328-L395 HydrophobicContact CB-CB 3.73Å; R328-L395 HydrophobicContact CB-CD1 3.88Å; R328-L395 HydrophobicContact CB-CG 4.48Å; R328-L395 VanDerWaalsContact CD-O 3.26Å; R328-L395 WeakPolarHBondContact CD-O 3.19Å; R328-L395 PolarHBondContact NH1-O 3.32Å; R328-Y397 VanDerWaalsContact NH1-N 3.18Å
329S98.8Very high98.5Very high1 Ų17.3 Ų7.31%0.0073%0.034CC..Hα-helixtrans-61.5-48.1178.9-57.60000110.5S316 S326 R327 Q332 S333S316-S329 VanDerWaalsContact OG-CB 3.26Å; S316-S329 WeakPolarHBondContact OG-CB 3.38Å; S316-S329 PolarHBondContact OG-OG 3.07Å; S316-S329 VanDerWaalsContact OG-OG 3.04Å; S326-S329 PolarHBondContact N-OG 2.83Å; S326-S329 VanDerWaalsContact N-OG 3.09Å; S326-S329 WeakPolarHBondContact O-CA 3.49Å; S326-S329 WeakPolarHBondContact O-CB 3.27Å; S326-S329 PolarHBondContact O-N 2.71Å; S326-S329 PolarHBondContact O-OG 2.86Å; R327-S329 VanDerWaalsContact C-N 3.28Å; R327-S329 PolarHBondContact O-N 3.27Å; S329-Q332 PolarHBondContact O-N 3.5Å; S329-S333 PolarHBondContact O-N 3.03Å; S329-S333 PolarHBondContact O-OG 2.96Å; S329-S333 VanDerWaalsContact O-OG 3.14Å
330D98.9Very high98.5Very high0 Ų08.4 Ų8.40%04%0.039CC..Hα-helixtrans-62.2-44.5177.3-80.42.8000112.1L252 H256 V261 H262 A263 I265 Q332 S333 L334L252-D330 HydrophobicContact CD1-CB 4.26Å; L252-D330 HydrophobicContact CD2-CB 4.12Å; H256-D330 IonicContact CE1-OD2 3.91Å; H256-D330 IonicContact NE2-OD2 2.94Å; H256-D330 PolarHBondContact NE2-OD2 2.9Å; H256-D330 VanDerWaalsContact NE2-OD2 3.14Å; V261-D330 WeakPolarHBondContact CA-OD2 3.12Å; V261-D330 WeakPolarHBondContact CB-OD2 3.48Å; H262-D330 PolarHBondContact N-OD1 2.85Å; H262-D330 PolarHBondContact N-OD2 3.46Å; A263-D330 WeakPolarHBondContact CA-OD1 3.29Å; A263-D330 PolarHBondContact N-OD1 3.18Å; I265-D330 HydrophobicContact CD1-CB 3.64Å; I265-D330 VanDerWaalsContact CD1-O 3.23Å; I265-D330 WeakPolarHBondContact CD1-O 3.47Å; D330-Q332 VanDerWaalsContact C-N 3.35Å; D330-Q332 PolarHBondContact O-N 3.04Å; D330-S333 PolarHBondContact O-N 2.93Å; D330-L334 PolarHBondContact O-N 3.5Å
331L98.9Very high98.4Very high0 Ų08.4 Ų8.40%04%0.039CC..Hα-helixtrans-67.8-33.9-179.9-67.1177.8000113.1L249 L252 R327 R328 G335 F388 V392 L395 P401 Y403 L406L249-L331 HydrophobicContact CD2-CD2 3.47Å; L249-L331 VanDerWaalsContact CD2-CD2 3.47Å; L252-L331 HydrophobicContact CD1-CD2 3.9Å; R327-L331 PolarHBondContact O-N 2.92Å; R328-L331 PolarHBondContact O-N 3.44Å; L331-G335 PolarHBondContact O-N 3.16Å; L331-G335 VanDerWaalsContact O-N 3.07Å; L331-F388 HydrophobicContact CD2-CZ 4.49Å; L331-V392 HydrophobicContact CB-CB 4.02Å; L331-V392 HydrophobicContact CB-CG1 3.7Å; L331-V392 HydrophobicContact CD1-CG1 4.26Å; L331-V392 HydrophobicContact CG-CG1 4.49Å; L331-L395 HydrophobicContact CD1-CD1 3.8Å; L331-P401 HydrophobicContact CD1-CB 3.43Å; L331-P401 VanDerWaalsContact CD1-CB 3.43Å; L331-P401 HydrophobicContact CD1-CG 3.38Å; L331-Y403 HydrophobicContact CD1-CE1 4.36Å; L331-Y403 HydrophobicContact CD2-CE1 4.35Å; L331-L406 HydrophobicContact CD1-CD1 4Å; L331-L406 HydrophobicContact CD2-CD1 4.4Å
332Q98.7Very high98.3Very high2 Ų26.6 Ų6.61%0.0093%0.031CC..Hα-helixtrans-67.1-45172.5-71.7167.38.600111.1R328 S329 D330 L334 G335 Y336 V392 M393R328-Q332 WeakPolarHBondContact O-CB 3.32Å; R328-Q332 WeakPolarHBondContact O-CG 3.37Å; R328-Q332 PolarHBondContact O-N 2.76Å; S329-Q332 PolarHBondContact O-N 3.5Å; D330-Q332 VanDerWaalsContact C-N 3.35Å; D330-Q332 PolarHBondContact O-N 3.04Å; Q332-L334 PolarHBondContact O-N 2.66Å; Q332-G335 WeakPolarHBondContact O-CA 3.47Å; Q332-G335 PolarHBondContact O-N 3.19Å; Q332-G335 VanDerWaalsContact O-N 3.1Å; Q332-Y336 HydrophobicContact CB-CE2 4.32Å; Q332-Y336 WeakPolarHBondContact O-CD2 3.4Å; Q332-Y336 PolarHBondContact O-N 3.38Å; Q332-V392 PolarHBondContact NE2-O 3.2Å; Q332-M393 HydrophobicContact CB-CE 4.15Å; Q332-M393 HydrophobicContact CG-CE 3.99Å; Q332-M393 HydrophobicContact CG-SD 3.79Å
333S98.8Very high98.2Very high2 Ų27.1 Ų7.11%0.0143%0.034CC..Hα-helixtrans-57.5-46.9174.5-64.70000111.7F314 S329 D330 G335 Y336 C337F314-S333 VanDerWaalsContact O-CA 3.29Å; F314-S333 WeakPolarHBondContact O-CA 3.4Å; F314-S333 VanDerWaalsContact O-CB 3.27Å; F314-S333 WeakPolarHBondContact O-CB 3.33Å; F314-S333 PolarHBondContact O-OG 2.99Å; S329-S333 PolarHBondContact O-N 3.03Å; S329-S333 PolarHBondContact O-OG 2.96Å; S329-S333 VanDerWaalsContact O-OG 3.14Å; D330-S333 PolarHBondContact O-N 2.93Å; S333-G335 VanDerWaalsContact C-N 3.28Å; S333-G335 PolarHBondContact O-N 3.04Å; S333-Y336 PolarHBondContact O-N 2.78Å; S333-Y336 VanDerWaalsContact O-N 3.13Å; S333-C337 PolarHBondContact O-N 3.41Å; S333-C337 PolarHBondContact O-SG 3.04Å
334L98.9Very high98.1Very high0 Ų08.6 Ų8.60%05%0.05CC..Hα-helixtrans-57.4-41.8174.5179.458.1000111.8I248 L249 L252 D330 Q332 Y336 C337 M338 W341 F388I248-L334 HydrophobicContact CB-CD1 4.29Å; I248-L334 HydrophobicContact CB-CD2 4.38Å; I248-L334 HydrophobicContact CD1-CD1 3.89Å; I248-L334 HydrophobicContact CG2-CD1 4.04Å; I248-L334 HydrophobicContact CG2-CD2 4.05Å; L249-L334 HydrophobicContact CD2-CD2 4.2Å; L249-L334 HydrophobicContact CG-CD2 4.12Å; L252-L334 HydrophobicContact CD1-CD2 4.18Å; D330-L334 PolarHBondContact O-N 3.5Å; Q332-L334 PolarHBondContact O-N 2.66Å; L334-Y336 PolarHBondContact O-N 3.06Å; L334-C337 PolarHBondContact O-N 3.3Å; L334-M338 HydrophobicContact CD1-CG 4.28Å; L334-M338 HydrophobicContact CG-CG 4.43Å; L334-M338 HydrophobicContact CG-SD 4.19Å; L334-M338 WeakPolarHBondContact O-CB 3.47Å; L334-M338 WeakPolarHBondContact O-CG 3.48Å; L334-M338 PolarHBondContact O-N 3.18Å; L334-W341 HydrophobicContact CD1-CH2 4.38Å; L334-W341 HydrophobicContact CD1-CZ3 4.41Å; L334-F388 HydrophobicContact CD2-CZ 4.06Å; L334-F388 HydrophobicContact CG-CZ 4.31Å
335G98.7Very high97.9Very high0 Ų011.9 Ų11.90%07%0.069CC..Hα-helixtrans-61.1-41.317600000113.5L331 Q332 S333 L339L331-G335 PolarHBondContact O-N 3.16Å; L331-G335 VanDerWaalsContact O-N 3.07Å; Q332-G335 WeakPolarHBondContact O-CA 3.47Å; Q332-G335 PolarHBondContact O-N 3.19Å; Q332-G335 VanDerWaalsContact O-N 3.1Å; S333-G335 VanDerWaalsContact C-N 3.28Å; S333-G335 PolarHBondContact O-N 3.04Å; G335-L339 WeakPolarHBondContact O-CG 3.47Å; G335-L339 PolarHBondContact O-N 2.92Å
336Y98.8Very high97.9Very high1 Ų112 Ų120%0.0047%0.07CC..Hα-helixtrans-67.8-41.8175.2-57.1-37.1000111.9F314 Q332 S333 L334 L339 L340 W348 K361 M393F314-Y336 WeakPolarHBondContact O-CD2 3.21Å; Q332-Y336 HydrophobicContact CB-CE2 4.32Å; Q332-Y336 WeakPolarHBondContact O-CD2 3.4Å; Q332-Y336 PolarHBondContact O-N 3.38Å; S333-Y336 PolarHBondContact O-N 2.78Å; S333-Y336 VanDerWaalsContact O-N 3.13Å; L334-Y336 PolarHBondContact O-N 3.06Å; Y336-L339 PolarHBondContact O-N 3.23Å; Y336-L340 PolarHBondContact O-N 2.76Å; Y336-W348 AromaticContact CD1-CH2 3.69Å; Y336-W348 HydrophobicContact CD1-CH2 3.69Å; Y336-W348 AromaticContact CD1-CZ2 3.66Å; Y336-W348 HydrophobicContact CD1-CZ2 3.66Å; Y336-W348 HydrophobicContact CD2-CZ2 4.3Å; Y336-W348 AromaticContact CE1-CH2 3.59Å; Y336-W348 HydrophobicContact CE1-CH2 3.59Å; Y336-W348 AromaticContact CE1-CZ2 3.87Å; Y336-W348 HydrophobicContact CE1-CZ2 3.87Å; Y336-W348 HydrophobicContact CE2-CZ2 4.48Å; Y336-W348 HydrophobicContact CG-CH2 4.4Å; Y336-W348 AromaticContact CG-CZ2 3.9Å; Y336-W348 HydrophobicContact CG-CZ2 3.9Å; Y336-K361 HydrophobicContact CE2-CD 4.25Å; Y336-M393 HydrophobicContact CD1-CE 4.21Å; Y336-M393 HydrophobicContact CE1-CE 3.38Å
337C98.6Very high97.8Very high0 Ų014.1 Ų14.10%08%0.083CC..Hα-helixtrans-60.2-45.5174.5-66.60000112.1I265 F314 S333 L334 L339 L340 W341I265-C337 PolarHBondContact O-SG 3.46Å; F314-C337 VanDerWaalsContact CD1-SG 3.51Å; S333-C337 PolarHBondContact O-N 3.41Å; S333-C337 PolarHBondContact O-SG 3.04Å; L334-C337 PolarHBondContact O-N 3.3Å; C337-L339 VanDerWaalsContact C-N 3.28Å; C337-L339 PolarHBondContact O-N 2.71Å; C337-L340 PolarHBondContact O-N 3Å; C337-W341 HydrophobicContact CB-CD2 4.18Å; C337-W341 HydrophobicContact CB-CE3 4.38Å; C337-W341 HydrophobicContact CB-CH2 3.67Å; C337-W341 HydrophobicContact CB-CZ2 3.45Å; C337-W341 VanDerWaalsContact CB-CZ2 3.45Å; C337-W341 HydrophobicContact CB-CZ3 4.14Å; C337-W341 WeakPolarHBondContact O-CB 3.35Å; C337-W341 PolarHBondContact O-N 3.15Å
338M98.6Very high97.8Very high2 Ų213 Ų131%0.018%0.08CC..Hα-helixtrans-56.1-42.9176.9-74169.966.500112V241 L242 A245 L334 H342 F385 F388 L410V241-M338 HydrophobicContact CG1-CB 3.69Å; V241-M338 HydrophobicContact CG1-CE 4.38Å; V241-M338 HydrophobicContact CG1-CG 3.77Å; L242-M338 HydrophobicContact CD2-CE 4.22Å; A245-M338 HydrophobicContact CB-CE 4.03Å; A245-M338 HydrophobicContact CB-CG 4.06Å; A245-M338 HydrophobicContact CB-SD 3.67Å; L334-M338 HydrophobicContact CD1-CG 4.28Å; L334-M338 HydrophobicContact CG-CG 4.43Å; L334-M338 HydrophobicContact CG-SD 4.19Å; L334-M338 WeakPolarHBondContact O-CB 3.47Å; L334-M338 WeakPolarHBondContact O-CG 3.48Å; L334-M338 PolarHBondContact O-N 3.18Å; M338-H342 PolarHBondContact O-N 3.49Å; M338-F385 HydrophobicContact CB-CD1 4.38Å; M338-F385 HydrophobicContact CB-CE1 4.02Å; M338-F385 HydrophobicContact CE-CD1 4.17Å; M338-F385 HydrophobicContact CE-CE1 4.25Å; M338-F388 HydrophobicContact CE-CD1 4.49Å; M338-F388 HydrophobicContact SD-CD1 3.96Å; M338-F388 HydrophobicContact SD-CE1 3.93Å; M338-F388 HydrophobicContact SD-CG 4.48Å; M338-F388 HydrophobicContact SD-CZ 4.43Å; M338-L410 HydrophobicContact CE-CD2 4Å
339L98.3Very high97.6Very high0 Ų013 Ų130%08%0.084CC..Hα-helixtrans-63.6-54.2175.3-69.7174.6000110.4G335 Y336 C337 W341 H342 T343 L346 L371 L372 C375 F376 F385 L389G335-L339 WeakPolarHBondContact O-CG 3.47Å; G335-L339 PolarHBondContact O-N 2.92Å; Y336-L339 PolarHBondContact O-N 3.23Å; C337-L339 VanDerWaalsContact C-N 3.28Å; C337-L339 PolarHBondContact O-N 2.71Å; L339-W341 PolarHBondContact O-N 3.45Å; L339-H342 PolarHBondContact O-N 2.9Å; L339-T343 PolarHBondContact O-N 3.47Å; L339-T343 PolarHBondContact O-OG1 3.49Å; L339-L346 HydrophobicContact CB-CD2 3.71Å; L339-L346 HydrophobicContact CD1-CD2 4.1Å; L339-L371 HydrophobicContact CD1-CD1 4.21Å; L339-L371 HydrophobicContact CD1-CD2 3.71Å; L339-L371 HydrophobicContact CD1-CG 3.84Å; L339-L372 HydrophobicContact CD2-CD2 3.82Å; L339-C375 HydrophobicContact CD2-CB 4.42Å; L339-F376 HydrophobicContact CD2-CE1 4.12Å; L339-F376 HydrophobicContact CD2-CE2 4.12Å; L339-F376 HydrophobicContact CD2-CZ 3.53Å; L339-F385 HydrophobicContact CD2-CD1 4.04Å; L339-L389 HydrophobicContact CD1-CD1 3.81Å; L339-L389 HydrophobicContact CD2-CD1 4.07Å; L339-L389 HydrophobicContact CG-CD1 4.06Å
340L97.4Very high97.3Very high30 Ų3020.3 Ų20.316%0.15712%0.118CC..Hα-helixtrans-57.3-46.9-177.2-171.978.5000112.2F314 Y336 C337 H342 T343 G344 L346F314-L340 HydrophobicContact CE1-CB 4.11Å; F314-L340 HydrophobicContact CE1-CD2 3.49Å; F314-L340 VanDerWaalsContact CE1-CD2 3.49Å; F314-L340 HydrophobicContact CE1-CG 4.38Å; F314-L340 HydrophobicContact CZ-CD2 3.32Å; Y336-L340 PolarHBondContact O-N 2.76Å; C337-L340 PolarHBondContact O-N 3Å; L340-H342 PolarHBondContact O-N 3.18Å; L340-T343 PolarHBondContact O-N 3.29Å; L340-G344 WeakPolarHBondContact O-CA 3.26Å; L340-G344 PolarHBondContact O-N 2.88Å; L340-L346 HydrophobicContact CB-CD1 4.31Å; L340-L346 HydrophobicContact CB-CG 4.2Å; L340-L346 HydrophobicContact CD1-CD1 4.45Å; L340-L346 HydrophobicContact CD1-CG 4.1Å
341W96.8Very high97.2Very high6 Ų622.8 Ų22.82%0.02313%0.131CC..Hα-helixtrans-61.7-29.5-179.8-58.6-28.6000112.9L225 L236 V241 L244 I248 I270 L334 C337 L339L225-W341 HydrophobicContact CD2-CD2 4.13Å; L225-W341 HydrophobicContact CD2-CH2 4.23Å; L225-W341 HydrophobicContact CD2-CZ2 3.76Å; L236-W341 HydrophobicContact CB-CB 4.35Å; L236-W341 HydrophobicContact CD1-CB 3.9Å; L236-W341 HydrophobicContact CD1-CG 4.29Å; L236-W341 HydrophobicContact CG-CB 4.1Å; L236-W341 PolarHBondContact N-O 2.76Å; V241-W341 HydrophobicContact CG1-CE3 4.48Å; V241-W341 HydrophobicContact CG2-CB 4.08Å; L244-W341 HydrophobicContact CB-CZ3 4.34Å; L244-W341 HydrophobicContact CD1-CE3 4.33Å; L244-W341 HydrophobicContact CD1-CZ3 4.37Å; I248-W341 HydrophobicContact CD1-CH2 3.94Å; I248-W341 HydrophobicContact CD1-CZ3 4.33Å; I270-W341 HydrophobicContact CD1-CH2 3.36Å; I270-W341 HydrophobicContact CD1-CZ2 3.43Å; I270-W341 VanDerWaalsContact CD1-CZ2 3.43Å; L334-W341 HydrophobicContact CD1-CH2 4.38Å; L334-W341 HydrophobicContact CD1-CZ3 4.41Å; C337-W341 HydrophobicContact CB-CD2 4.18Å; C337-W341 HydrophobicContact CB-CE3 4.38Å; C337-W341 HydrophobicContact CB-CH2 3.67Å; C337-W341 HydrophobicContact CB-CZ2 3.45Å; C337-W341 VanDerWaalsContact CB-CZ2 3.45Å; C337-W341 HydrophobicContact CB-CZ3 4.14Å; C337-W341 WeakPolarHBondContact O-CB 3.35Å; C337-W341 PolarHBondContact O-N 3.15Å; L339-W341 PolarHBondContact O-N 3.45Å
342H96.3Very high96.7Very high26 Ų2630.1 Ų30.112%0.1217%0.165CC..Hα-helixtrans-88.9-34.3-179.9-16643.6000113.7L236 V241 M338 L339 L340 F376 F385L236-H342 PolarHBondContact O-ND1 3.46Å; V241-H342 HydrophobicContact CG2-CB 4.17Å; M338-H342 PolarHBondContact O-N 3.49Å; L339-H342 PolarHBondContact O-N 2.9Å; L340-H342 PolarHBondContact O-N 3.18Å; H342-F376 AromaticContact CD2-CE1 3.71Å; H342-F385 HydrophobicContact CB-CE1 4.49Å; H342-F385 HydrophobicContact CB-CZ 4.1Å; H342-F385 AromaticContact CD2-CZ 3.9Å
343T95.4Very high96.5Very high12 Ų1236.1 Ų36.17%0.07419%0.193CC..Hα-helixtrans-106.9-16.7-172.562.30000113.9L339 L340 T345 C375 F376L339-T343 PolarHBondContact O-N 3.47Å; L339-T343 PolarHBondContact O-OG1 3.49Å; L340-T343 PolarHBondContact O-N 3.29Å; T343-T345 PolarHBondContact O-N 2.84Å; T343-T345 PolarHBondContact OG1-N 3.11Å; T343-T345 PolarHBondContact OG1-O 3.05Å; T343-C375 HydrophobicContact CG2-CB 4.2Å; T343-F376 HydrophobicContact CG2-CD1 3.44Å; T343-F376 VanDerWaalsContact CG2-CD1 3.44Å; T343-F376 HydrophobicContact CG2-CE1 3.44Å; T343-F376 VanDerWaalsContact CG2-CE1 3.44Å
344G94.7Very high96.3Very high34 Ų3437.8 Ų37.835%0.35120%0.203SC..SBendtrans77.9-9.6-174.900000114.4L235 L340L235-G344 VanDerWaalsContact CD2-CA 3.41Å; L340-G344 WeakPolarHBondContact O-CA 3.26Å; L340-G344 PolarHBondContact O-N 2.88Å
345T94.6Very high96.2Very high74 Ų7446.4 Ų46.445%0.45424%0.241SC..  trans-149.7147.9-176.751.80000112T343T343-T345 PolarHBondContact O-N 2.84Å; T343-T345 PolarHBondContact OG1-N 3.11Å; T343-T345 PolarHBondContact OG1-O 3.05Å
346L97.6Very high96.1Very high9 Ų950.6 Ų50.65%0.04726%0.262CS..  trans-106.6157.7163.8-68.3167.3000109.1E313 F314 L339 L340 W348 S349E313-L346 HydrophobicContact CG-CD1 3.62Å; F314-L346 HydrophobicContact CD1-CD1 4.38Å; F314-L346 HydrophobicContact CE1-CD1 4.24Å; L339-L346 HydrophobicContact CB-CD2 3.71Å; L339-L346 HydrophobicContact CD1-CD2 4.1Å; L340-L346 HydrophobicContact CB-CD1 4.31Å; L340-L346 HydrophobicContact CB-CG 4.2Å; L340-L346 HydrophobicContact CD1-CD1 4.45Å; L340-L346 HydrophobicContact CD1-CG 4.1Å; L346-W348 HydrophobicContact CB-CD2 4.25Å; L346-W348 HydrophobicContact CB-CZ2 4.28Å; L346-W348 HydrophobicContact CD1-CZ2 3.92Å; L346-W348 HydrophobicContact CD2-CZ2 4.23Å; L346-W348 HydrophobicContact CG-CZ2 4.38Å; L346-W348 PolarHBondContact O-N 2.94Å; L346-S349 PolarHBondContact N-OG 3.41Å; L346-S349 PolarHBondContact O-N 2.94Å; L346-S349 PolarHBondContact O-OG 3.17Å
347P97.8Very high96.1Very high43 Ų4350.7 Ų50.728%0.27926%0.263SS..THydrogen-bonded Turntrans-58.9-16.3179.2-26.736.7000114.6Y364 L371 D374P347-Y364 HydrophobicContact CB-CD2 4.32Å; P347-Y364 HydrophobicContact CB-CE2 3.38Å; P347-Y364 HydrophobicContact CG-CD2 4.29Å; P347-Y364 HydrophobicContact CG-CE2 3.59Å; P347-L371 HydrophobicContact CG-CD1 3.7Å; P347-D374 HydrophobicContact CG-CB 4.47Å
348W97.9Very high96.1Very high3 Ų352 Ų521%0.01127%0.271CS..THydrogen-bonded Turntrans-112.39178.956.377.3000114.3E313 Y336 L346 E350 L351 V357 E360 K361 Y364 L371E313-W348 PolarHBondContact O-NE1 3.42Å; Y336-W348 AromaticContact CD1-CH2 3.69Å; Y336-W348 HydrophobicContact CD1-CH2 3.69Å; Y336-W348 AromaticContact CD1-CZ2 3.66Å; Y336-W348 HydrophobicContact CD1-CZ2 3.66Å; Y336-W348 HydrophobicContact CD2-CZ2 4.3Å; Y336-W348 AromaticContact CE1-CH2 3.59Å; Y336-W348 HydrophobicContact CE1-CH2 3.59Å; Y336-W348 AromaticContact CE1-CZ2 3.87Å; Y336-W348 HydrophobicContact CE1-CZ2 3.87Å; Y336-W348 HydrophobicContact CE2-CZ2 4.48Å; Y336-W348 HydrophobicContact CG-CH2 4.4Å; Y336-W348 AromaticContact CG-CZ2 3.9Å; Y336-W348 HydrophobicContact CG-CZ2 3.9Å; L346-W348 HydrophobicContact CB-CD2 4.25Å; L346-W348 HydrophobicContact CB-CZ2 4.28Å; L346-W348 HydrophobicContact CD1-CZ2 3.92Å; L346-W348 HydrophobicContact CD2-CZ2 4.23Å; L346-W348 HydrophobicContact CG-CZ2 4.38Å; L346-W348 PolarHBondContact O-N 2.94Å; W348-E350 VanDerWaalsContact C-N 3.28Å; W348-E350 PolarHBondContact O-N 3.03Å; W348-L351 HydrophobicContact CB-CB 4.48Å; W348-L351 HydrophobicContact CB-CD1 3.75Å; W348-L351 HydrophobicContact CB-CG 4.27Å; W348-L351 WeakPolarHBondContact O-CB 3.22Å; W348-L351 PolarHBondContact O-N 3.31Å; W348-V357 HydrophobicContact CB-CG1 4.35Å; W348-V357 HydrophobicContact CB-CG2 4.46Å; W348-V357 HydrophobicContact CG-CG1 4.06Å; W348-E360 HydrophobicContact CB-CB 4.24Å; W348-E360 HydrophobicContact CE3-CB 4.02Å; W348-K361 HydrophobicContact CD2-CG 3.93Å; W348-K361 VanDerWaalsContact CE2-CE 3.44Å; W348-K361 HydrophobicContact CE3-CG 4.03Å; W348-K361 HydrophobicContact CH2-CG 3.85Å; W348-K361 HydrophobicContact CZ2-CD 4.3Å; W348-K361 HydrophobicContact CZ2-CG 3.73Å; W348-K361 HydrophobicContact CZ3-CG 4Å; W348-K361 VanDerWaalsContact NE1-CE 3.35Å; W348-Y364 HydrophobicContact CE3-CD2 4.03Å; W348-Y364 HydrophobicContact CE3-CE2 4.41Å; W348-Y364 AromaticContact CZ3-CD2 3.63Å; W348-Y364 HydrophobicContact CZ3-CD2 3.63Å; W348-Y364 HydrophobicContact CZ3-CE2 4.33Å; W348-Y364 HydrophobicContact CZ3-CG 4.34Å; W348-L371 HydrophobicContact CH2-CD1 4.21Å; W348-L371 HydrophobicContact CZ3-CD1 4Å
349S94.8Very high96.1Very high29 Ų2954.5 Ų54.520%0.20329%0.292CS..THydrogen-bonded Turntrans-58.7-37.9-178.3-64.30000112.9E313 L346 L351E313-S349 WeakPolarHBondContact OE1-CA 3.36Å; E313-S349 VanDerWaalsContact OE1-CB 3.28Å; E313-S349 WeakPolarHBondContact OE1-CB 3.34Å; E313-S349 PolarHBondContact OE1-OG 3.43Å; L346-S349 PolarHBondContact N-OG 3.41Å; L346-S349 PolarHBondContact O-N 2.94Å; L346-S349 PolarHBondContact O-OG 3.17Å; S349-L351 PolarHBondContact O-N 3.36Å
350E93.8Very high96Very high154 Ų15456.8 Ų56.872%0.7230%0.303SS*.THydrogen-bonded Turntrans-83.55.5179.3-56.6-56.5130.100113.6W348W348-E350 VanDerWaalsContact C-N 3.28Å; W348-E350 PolarHBondContact O-N 3.03Å
351L95.1Very high96.1Very high52 Ų5255.4 Ų55.427%0.27230%0.295SS..  trans-98.7113.2-177.9-56.4-179.2000110.5W348 S349 L356 V357 E360W348-L351 HydrophobicContact CB-CB 4.48Å; W348-L351 HydrophobicContact CB-CD1 3.75Å; W348-L351 HydrophobicContact CB-CG 4.27Å; W348-L351 WeakPolarHBondContact O-CB 3.22Å; W348-L351 PolarHBondContact O-N 3.31Å; S349-L351 PolarHBondContact O-N 3.36Å; L351-L356 HydrophobicContact CB-CB 4.4Å; L351-L356 HydrophobicContact CD1-CB 4.05Å; L351-L356 HydrophobicContact CD2-CD1 4.48Å; L351-V357 HydrophobicContact CB-CG2 3.81Å; L351-V357 VanDerWaalsContact O-CG2 3.28Å; L351-V357 WeakPolarHBondContact O-CG2 3.48Å; L351-E360 HydrophobicContact CD1-CG 3.89Å
352H88.4Confident96.2Very high154 Ų15458 Ų5871%0.71331%0.308SS*.  trans-90.2-15179.7-55.1-59000114.2
353H95Very high96.2Very high128 Ų12863.2 Ų63.259%0.59333%0.326SS*.SBendtrans-90.3121.7-179.1-67.8-56.4000111.2K355 L356 V357H353-K355 PolarHBondContact O-N 3.26Å; H353-L356 HydrophobicContact CB-CB 4.45Å; H353-L356 HydrophobicContact CB-CD1 3.99Å; H353-L356 HydrophobicContact CB-CG 4Å; H353-L356 PolarHBondContact O-N 3.44Å; H353-V357 PolarHBondContact O-N 3.01Å
354P95.8Very high96.4Very high36 Ų3663.1 Ų63.123%0.23433%0.325CS..Hα-helixtrans-54.7-34.9-175.9-24.528.2000114.3H308 M312 L356 T358H308-P354 VanDerWaalsContact CE1-CB 3.48Å; H308-P354 WeakPolarHBondContact CE1-CB 3.44Å; H308-P354 WeakPolarHBondContact NE2-CB 3.26Å; M312-P354 HydrophobicContact CE-CB 4.4Å; M312-P354 HydrophobicContact CE-CG 3.72Å; M312-P354 HydrophobicContact SD-CB 4.07Å; M312-P354 HydrophobicContact SD-CG 3.88Å; P354-L356 PolarHBondContact O-N 2.92Å; P354-T358 WeakPolarHBondContact O-CB 3.26Å; P354-T358 PolarHBondContact O-N 3.42Å; P354-T358 PolarHBondContact O-OG1 3.24Å
355K95.9Very high96.4Very high182 Ų18263.5 Ų63.579%0.79132%0.318SS*.Hα-helixtrans-64.1-38.1177.8-68.5-176.8179.2177.70112.5H353 A359H353-K355 PolarHBondContact O-N 3.26Å; K355-A359 WeakPolarHBondContact O-CB 2.84Å; K355-A359 PolarHBondContact O-N 3.24Å
356L97.5Very high96.5Very high87 Ų8768.1 Ų68.146%0.45533%0.332SS..Hα-helixtrans-71.8-45.3179.1-60.7179.8000110.7L351 H353 P354 T358 A359 E360L351-L356 HydrophobicContact CB-CB 4.4Å; L351-L356 HydrophobicContact CD1-CB 4.05Å; L351-L356 HydrophobicContact CD2-CD1 4.48Å; H353-L356 HydrophobicContact CB-CB 4.45Å; H353-L356 HydrophobicContact CB-CD1 3.99Å; H353-L356 HydrophobicContact CB-CG 4Å; H353-L356 PolarHBondContact O-N 3.44Å; P354-L356 PolarHBondContact O-N 2.92Å; L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 2.93Å; L356-A359 PolarHBondContact O-N 3.21Å; L356-A359 VanDerWaalsContact O-N 3.16Å; L356-E360 PolarHBondContact O-N 3.34Å
357V98Very high96.5Very high3 Ų371.3 Ų71.32%0.01835%0.349CS..Hα-helixtrans-56.6-45.8173.7178.60000110.7M312 W348 L351 H353 A359 E360 K361M312-V357 HydrophobicContact SD-CG2 4.25Å; W348-V357 HydrophobicContact CB-CG1 4.35Å; W348-V357 HydrophobicContact CB-CG2 4.46Å; W348-V357 HydrophobicContact CG-CG1 4.06Å; L351-V357 HydrophobicContact CB-CG2 3.81Å; L351-V357 VanDerWaalsContact O-CG2 3.28Å; L351-V357 WeakPolarHBondContact O-CG2 3.48Å; H353-V357 PolarHBondContact O-N 3.01Å; V357-A359 VanDerWaalsContact C-N 3.34Å; V357-A359 PolarHBondContact O-N 3.11Å; V357-E360 PolarHBondContact O-N 3.24Å; V357-K361 HydrophobicContact CG1-CD 4.05Å; V357-K361 HydrophobicContact CG1-CG 4.49Å; V357-K361 WeakPolarHBondContact O-CB 3.48Å; V357-K361 WeakPolarHBondContact O-CG 3.34Å; V357-K361 PolarHBondContact O-N 2.87Å
358T97.9Very high96.5Very high28 Ų2870 Ų7017%0.17234%0.34CS..Hα-helixtrans-61.3-42.1178.1-54.40000111.6L317 H320 P354 L356 Q362L317-T358 HydrophobicContact CD2-CG2 3.77Å; L317-T358 WeakPolarHBondContact CD2-O 3.36Å; H320-T358 HydrophobicContact CB-CG2 4.1Å; H320-T358 WeakPolarHBondContact CB-OG1 3.29Å; H320-T358 PolarHBondContact ND1-OG1 2.89Å; P354-T358 WeakPolarHBondContact O-CB 3.26Å; P354-T358 PolarHBondContact O-N 3.42Å; P354-T358 PolarHBondContact O-OG1 3.24Å; L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 2.93Å; T358-Q362 WeakPolarHBondContact O-CB 3.44Å; T358-Q362 PolarHBondContact O-N 3.29Å
359A98.1Very high96.4Very high54 Ų5478.3 Ų78.345%0.44637%0.372SS..Hα-helixtrans-64.4-44.4179.300000112.2K355 L356 V357 Q362 R363K355-A359 WeakPolarHBondContact O-CB 2.84Å; K355-A359 PolarHBondContact O-N 3.24Å; L356-A359 PolarHBondContact O-N 3.21Å; L356-A359 VanDerWaalsContact O-N 3.16Å; V357-A359 VanDerWaalsContact C-N 3.34Å; V357-A359 PolarHBondContact O-N 3.11Å; A359-Q362 PolarHBondContact O-N 3.47Å; A359-R363 PolarHBondContact O-N 3.2Å
360E98.1Very high96.6Very high49 Ų4977.1 Ų77.123%0.22936%0.363CS..Hα-helixtrans-65.5-47.5176.7-74.5-58116.300111.5W348 L351 L356 V357 Q362 R363 Y364W348-E360 HydrophobicContact CB-CB 4.24Å; W348-E360 HydrophobicContact CE3-CB 4.02Å; L351-E360 HydrophobicContact CD1-CG 3.89Å; L356-E360 PolarHBondContact O-N 3.34Å; V357-E360 PolarHBondContact O-N 3.24Å; E360-Q362 VanDerWaalsContact C-N 3.25Å; E360-Q362 PolarHBondContact O-N 3.24Å; E360-R363 WeakPolarHBondContact O-CB 3.33Å; E360-R363 PolarHBondContact O-N 2.87Å; E360-R363 VanDerWaalsContact O-N 3.09Å; E360-Y364 HydrophobicContact CB-CD2 4.4Å; E360-Y364 HydrophobicContact CB-CE2 4.4Å; E360-Y364 WeakPolarHBondContact O-CD2 3.4Å; E360-Y364 PolarHBondContact O-N 3.24Å; E360-Y364 WeakPolarHBondContact OE2-CE2 3.09Å
361K98.4Very high96.7Very high0 Ų069.8 Ų69.80%033%0.329CS..Hα-helixtrans-56.2-41.4174.2-74.7179.5178.4178.10111.8M312 E313 I315 L317 H320 Y336 W348 V357 R363 Y364 M365M312-K361 PolarHBondContact O-NZ 3.32Å; E313-K361 WeakPolarHBondContact O-CE 3.4Å; E313-K361 PolarHBondContact O-NZ 2.89Å; I315-K361 PolarHBondContact O-NZ 3.16Å; L317-K361 HydrophobicContact CD2-CB 3.69Å; L317-K361 HydrophobicContact CG-CB 4.12Å; H320-K361 PolarHBondContact NE2-NZ 2.98Å; Y336-K361 HydrophobicContact CE2-CD 4.25Å; W348-K361 HydrophobicContact CD2-CG 3.93Å; W348-K361 VanDerWaalsContact CE2-CE 3.44Å; W348-K361 HydrophobicContact CE3-CG 4.03Å; W348-K361 HydrophobicContact CH2-CG 3.85Å; W348-K361 HydrophobicContact CZ2-CD 4.3Å; W348-K361 HydrophobicContact CZ2-CG 3.73Å; W348-K361 HydrophobicContact CZ3-CG 4Å; W348-K361 VanDerWaalsContact NE1-CE 3.35Å; V357-K361 HydrophobicContact CG1-CD 4.05Å; V357-K361 HydrophobicContact CG1-CG 4.49Å; V357-K361 WeakPolarHBondContact O-CB 3.48Å; V357-K361 WeakPolarHBondContact O-CG 3.34Å; V357-K361 PolarHBondContact O-N 2.87Å; K361-R363 PolarHBondContact O-N 3.2Å; K361-Y364 PolarHBondContact O-N 3.4Å; K361-M365 WeakPolarHBondContact O-CB 3.26Å; K361-M365 PolarHBondContact O-N 2.97Å
362Q98.2Very high96.8Very high61 Ų6168.1 Ų68.129%0.28532%0.32SS..Hα-helixtrans-66-36.4178-177.962.779.500113L317 T358 A359 E360L317-Q362 HydrophobicContact CD1-CB 4.18Å; L317-Q362 HydrophobicContact CD2-CB 4.16Å; T358-Q362 WeakPolarHBondContact O-CB 3.44Å; T358-Q362 PolarHBondContact O-N 3.29Å; A359-Q362 PolarHBondContact O-N 3.47Å; E360-Q362 VanDerWaalsContact C-N 3.25Å; E360-Q362 PolarHBondContact O-N 3.24Å
363R98.1Very high97.2Very high135 Ų13567 Ų6751%0.50931%0.31SS..Hα-helixtrans-65.3-51.6173171.1-175168.3159.8-4.6110.6A359 E360 K361 M365 K366 D367A359-R363 PolarHBondContact O-N 3.2Å; E360-R363 WeakPolarHBondContact O-CB 3.33Å; E360-R363 PolarHBondContact O-N 2.87Å; E360-R363 VanDerWaalsContact O-N 3.09Å; K361-R363 PolarHBondContact O-N 3.2Å; R363-M365 PolarHBondContact O-N 3.32Å; R363-K366 WeakPolarHBondContact O-CB 3.33Å; R363-K366 PolarHBondContact O-N 3.49Å; R363-K366 VanDerWaalsContact O-N 3.11Å; R363-D367 PolarHBondContact O-N 2.88Å
364Y98.1Very high97.3Very high11 Ų1164.3 Ų64.34%0.04330%0.299CS..Hα-helixtrans-72.2-26.5-175.6-74.4-58.5000114.2P347 W348 E360 K361 K366 D367 V368 A370 L371 D374P347-Y364 HydrophobicContact CB-CD2 4.32Å; P347-Y364 HydrophobicContact CB-CE2 3.38Å; P347-Y364 HydrophobicContact CG-CD2 4.29Å; P347-Y364 HydrophobicContact CG-CE2 3.59Å; W348-Y364 HydrophobicContact CE3-CD2 4.03Å; W348-Y364 HydrophobicContact CE3-CE2 4.41Å; W348-Y364 AromaticContact CZ3-CD2 3.63Å; W348-Y364 HydrophobicContact CZ3-CD2 3.63Å; W348-Y364 HydrophobicContact CZ3-CE2 4.33Å; W348-Y364 HydrophobicContact CZ3-CG 4.34Å; E360-Y364 HydrophobicContact CB-CD2 4.4Å; E360-Y364 HydrophobicContact CB-CE2 4.4Å; E360-Y364 WeakPolarHBondContact O-CD2 3.4Å; E360-Y364 PolarHBondContact O-N 3.24Å; E360-Y364 WeakPolarHBondContact OE2-CE2 3.09Å; K361-Y364 PolarHBondContact O-N 3.4Å; Y364-K366 PolarHBondContact O-N 3.09Å; Y364-D367 CarbonylContact O-C 3.55Å; Y364-D367 PolarHBondContact O-N 2.93Å; Y364-V368 PolarHBondContact O-N 2.91Å; Y364-A370 HydrophobicContact CD1-CB 4.23Å; Y364-A370 HydrophobicContact CE1-CB 4.06Å; Y364-L371 HydrophobicContact CD1-CB 3.48Å; Y364-L371 VanDerWaalsContact CD1-CB 3.48Å; Y364-L371 HydrophobicContact CD1-CD1 4.05Å; Y364-L371 HydrophobicContact CD1-CG 4.34Å; Y364-L371 VanDerWaalsContact CD1-N 3.28Å; Y364-L371 HydrophobicContact CD2-CD1 4.12Å; Y364-L371 VanDerWaalsContact CE1-CA 3.49Å; Y364-L371 HydrophobicContact CE1-CB 4.17Å; Y364-L371 HydrophobicContact CE1-CD1 4.43Å; Y364-L371 HydrophobicContact CG-CB 3.89Å; Y364-L371 HydrophobicContact CG-CD1 3.85Å; Y364-L371 HydrophobicContact CG-CG 4.35Å; Y364-D374 WeakPolarHBondContact CE1-OD2 3.16Å; Y364-D374 PolarHBondContact OH-OD2 3.47Å
365M96.4Very high97.3Very high41 Ų4163.3 Ų63.320%0.20229%0.293CS..Hα-helixtrans-61.7-31.1169.5-169.3-176.1-174.200112L317 K361 R363 M393L317-M365 HydrophobicContact CD1-CB 4.23Å; L317-M365 HydrophobicContact CD1-SD 3.54Å; L317-M365 VanDerWaalsContact CD1-SD 3.54Å; K361-M365 WeakPolarHBondContact O-CB 3.26Å; K361-M365 PolarHBondContact O-N 2.97Å; R363-M365 PolarHBondContact O-N 3.32Å; M365-M393 HydrophobicContact CB-SD 4.36Å; M365-M393 WeakPolarHBondContact CE-O 3.41Å; M365-M393 HydrophobicContact CG-CB 3.98Å; M365-M393 HydrophobicContact CG-CG 4.37Å; M365-M393 HydrophobicContact CG-SD 3.94Å
366K96.3Very high97.3Very high171 Ų17155.4 Ų55.474%0.74326%0.259SS*.Hα-helixtrans-82.6-24.5176.2-64.3175.7-178.6178.70113R363 Y364R363-K366 WeakPolarHBondContact O-CB 3.33Å; R363-K366 PolarHBondContact O-N 3.49Å; R363-K366 VanDerWaalsContact O-N 3.11Å; Y364-K366 PolarHBondContact O-N 3.09Å
367D97.6Very high97.1Very high76 Ų7653.8 Ų53.841%0.40626%0.264SS..  trans-13880.6-179.1-170.6-7.6000111.1R363 Y364 R369 A370 L371R363-D367 PolarHBondContact O-N 2.88Å; Y364-D367 CarbonylContact O-C 3.55Å; Y364-D367 PolarHBondContact O-N 2.93Å; D367-R369 PolarHBondContact O-N 2.94Å; D367-R369 PolarHBondContact OD1-N 3.32Å; D367-A370 HydrophobicContact CB-CB 4.02Å; D367-A370 VanDerWaalsContact CG-CB 3.42Å; D367-A370 WeakPolarHBondContact O-CB 3.27Å; D367-A370 PolarHBondContact O-N 2.92Å; D367-A370 PolarHBondContact OD1-N 2.84Å; D367-A370 WeakPolarHBondContact OD2-CB 3.2Å; D367-L371 PolarHBondContact O-N 3.36Å
368V97.4Very high96.6Very high15 Ų1563.8 Ų63.89%0.09131%0.307CS..Hα-helixtrans-61.2-32.2177.2173.80000111.3Y364 A370 L371 L372 L389 M393Y364-V368 PolarHBondContact O-N 2.91Å; V368-A370 VanDerWaalsContact C-N 3.32Å; V368-A370 PolarHBondContact O-N 3.02Å; V368-L371 WeakPolarHBondContact O-CB 3.48Å; V368-L371 PolarHBondContact O-N 3.12Å; V368-L372 HydrophobicContact CG1-CD1 4.36Å; V368-L372 HydrophobicContact CG1-CG 4.39Å; V368-L372 WeakPolarHBondContact O-CG 3.45Å; V368-L372 PolarHBondContact O-N 3.28Å; V368-L389 HydrophobicContact CG1-CB 3.61Å; V368-M393 HydrophobicContact CG2-CB 4.06Å; V368-M393 HydrophobicContact CG2-CG 3.92Å
369R96.3Very high96.2Very high179 Ų17969.4 Ų69.468%0.67533%0.325SS*.Hα-helixtrans-66.5-38.3178.7-65.6-178-174.6170.22.4111.1D367 L371 R373D367-R369 PolarHBondContact O-N 2.94Å; D367-R369 PolarHBondContact OD1-N 3.32Å; R369-L371 VanDerWaalsContact C-N 3.34Å; R369-R373 WeakPolarHBondContact O-CB 3.46Å; R369-R373 PolarHBondContact O-N 3.31Å
370A97.3Very high95.7Very high3 Ų376.1 Ų76.13%0.02535%0.347CS..Hα-helixtrans-62.2-42.517200000111.9Y364 D367 V368 L372 R373 D374Y364-A370 HydrophobicContact CD1-CB 4.23Å; Y364-A370 HydrophobicContact CE1-CB 4.06Å; D367-A370 HydrophobicContact CB-CB 4.02Å; D367-A370 VanDerWaalsContact CG-CB 3.42Å; D367-A370 WeakPolarHBondContact O-CB 3.27Å; D367-A370 PolarHBondContact O-N 2.92Å; D367-A370 PolarHBondContact OD1-N 2.84Å; D367-A370 WeakPolarHBondContact OD2-CB 3.2Å; V368-A370 VanDerWaalsContact C-N 3.32Å; V368-A370 PolarHBondContact O-N 3.02Å; A370-L372 PolarHBondContact O-N 2.55Å; A370-R373 VanDerWaalsContact CB-NH2 3.35Å; A370-R373 PolarHBondContact O-N 3.34Å; A370-D374 WeakPolarHBondContact O-CB 3.48Å; A370-D374 PolarHBondContact O-N 2.94Å
371L97.9Very high95.4Very high1 Ų175.9 Ų75.91%0.00535%0.349CS..Hα-helixtrans-56.6-51.2177.3179.656000111L339 P347 W348 Y364 D367 V368 R369 R373 D374 C375 L389L339-L371 HydrophobicContact CD1-CD1 4.21Å; L339-L371 HydrophobicContact CD1-CD2 3.71Å; L339-L371 HydrophobicContact CD1-CG 3.84Å; P347-L371 HydrophobicContact CG-CD1 3.7Å; W348-L371 HydrophobicContact CH2-CD1 4.21Å; W348-L371 HydrophobicContact CZ3-CD1 4Å; Y364-L371 HydrophobicContact CD1-CB 3.48Å; Y364-L371 VanDerWaalsContact CD1-CB 3.48Å; Y364-L371 HydrophobicContact CD1-CD1 4.05Å; Y364-L371 HydrophobicContact CD1-CG 4.34Å; Y364-L371 VanDerWaalsContact CD1-N 3.28Å; Y364-L371 HydrophobicContact CD2-CD1 4.12Å; Y364-L371 VanDerWaalsContact CE1-CA 3.49Å; Y364-L371 HydrophobicContact CE1-CB 4.17Å; Y364-L371 HydrophobicContact CE1-CD1 4.43Å; Y364-L371 HydrophobicContact CG-CB 3.89Å; Y364-L371 HydrophobicContact CG-CD1 3.85Å; Y364-L371 HydrophobicContact CG-CG 4.35Å; D367-L371 PolarHBondContact O-N 3.36Å; V368-L371 WeakPolarHBondContact O-CB 3.48Å; V368-L371 PolarHBondContact O-N 3.12Å; R369-L371 VanDerWaalsContact C-N 3.34Å; L371-R373 PolarHBondContact O-N 3.38Å; L371-D374 PolarHBondContact O-N 2.96Å; L371-C375 WeakPolarHBondContact O-CB 3.35Å; L371-C375 PolarHBondContact O-N 3.4Å; L371-C375 PolarHBondContact O-SG 3.04Å; L371-C375 VanDerWaalsContact O-SG 3.38Å; L371-L389 HydrophobicContact CD2-CD1 4.46Å
372L97.2Very high95.2Very high16 Ų1677 Ų778%0.08436%0.356CS..Hα-helixtrans-64.4-40.8-178.6-62.3179.9000112.7L339 V368 A370 D374 C375 F376 F385 Q386 L389L339-L372 HydrophobicContact CD2-CD2 3.82Å; V368-L372 HydrophobicContact CG1-CD1 4.36Å; V368-L372 HydrophobicContact CG1-CG 4.39Å; V368-L372 WeakPolarHBondContact O-CG 3.45Å; V368-L372 PolarHBondContact O-N 3.28Å; A370-L372 PolarHBondContact O-N 2.55Å; L372-D374 VanDerWaalsContact C-N 3.31Å; L372-D374 PolarHBondContact O-N 2.77Å; L372-C375 PolarHBondContact O-N 3.05Å; L372-F376 HydrophobicContact CB-CD2 4.02Å; L372-F376 HydrophobicContact CB-CE2 4.15Å; L372-F376 HydrophobicContact CD2-CD2 4.29Å; L372-F376 HydrophobicContact CD2-CE2 3.57Å; L372-F376 HydrophobicContact CD2-CZ 4.31Å; L372-F376 HydrophobicContact CG-CE2 4.34Å; L372-F376 WeakPolarHBondContact O-CB 3.38Å; L372-F376 VanDerWaalsContact O-CD2 3.27Å; L372-F376 WeakPolarHBondContact O-CD2 3.48Å; L372-F376 PolarHBondContact O-N 3.34Å; L372-F385 HydrophobicContact CD2-CB 4.14Å; L372-Q386 HydrophobicContact CD1-CB 3.43Å; L372-Q386 VanDerWaalsContact CD1-CB 3.43Å; L372-Q386 HydrophobicContact CD1-CG 3.74Å; L372-L389 HydrophobicContact CD2-CD1 3.49Å; L372-L389 VanDerWaalsContact CD2-CD1 3.49Å
373R96.3Very high95Very high132 Ų13276.2 Ų76.250%0.49837%0.365SS..Hα-helixtrans-62.3-41.7176.6-177.6-168.861.4-111.7-12.8111.1R369 A370 L371 G377R369-R373 WeakPolarHBondContact O-CB 3.46Å; R369-R373 PolarHBondContact O-N 3.31Å; A370-R373 VanDerWaalsContact CB-NH2 3.35Å; A370-R373 PolarHBondContact O-N 3.34Å; L371-R373 PolarHBondContact O-N 3.38Å; R373-G377 VanDerWaalsContact O-CA 3.23Å; R373-G377 WeakPolarHBondContact O-CA 3.46Å; R373-G377 PolarHBondContact O-N 3.49Å
374D96.5Very high95Very high70 Ų7069.9 Ų69.937%0.37434%0.341SS..Hα-helixtrans-75.4-30.6-177.2-60.2-6.9000111P347 Y364 A370 L371 L372P347-D374 HydrophobicContact CG-CB 4.47Å; Y364-D374 WeakPolarHBondContact CE1-OD2 3.16Å; Y364-D374 PolarHBondContact OH-OD2 3.47Å; A370-D374 WeakPolarHBondContact O-CB 3.48Å; A370-D374 PolarHBondContact O-N 2.94Å; L371-D374 PolarHBondContact O-N 2.96Å; L372-D374 VanDerWaalsContact C-N 3.31Å; L372-D374 PolarHBondContact O-N 2.77Å
375C96.6Very high95Very high16 Ų1669.4 Ų69.411%0.10834%0.34CS..Hα-helixtrans-75.8-47.8173.4-740000114L339 T343 L371 L372L339-C375 HydrophobicContact CD2-CB 4.42Å; T343-C375 HydrophobicContact CG2-CB 4.2Å; L371-C375 WeakPolarHBondContact O-CB 3.35Å; L371-C375 PolarHBondContact O-N 3.4Å; L371-C375 PolarHBondContact O-SG 3.04Å; L371-C375 VanDerWaalsContact O-SG 3.38Å; L372-C375 PolarHBondContact O-N 3.05Å
376F95.8Very high95Very high15 Ų1571.5 Ų71.57%0.06635%0.349CS..Hα-helixtrans-92.5-22.1-173.2-59.2-48.6000113.4L339 H342 T343 L372 K378 R379 V381 F385L339-F376 HydrophobicContact CD2-CE1 4.12Å; L339-F376 HydrophobicContact CD2-CE2 4.12Å; L339-F376 HydrophobicContact CD2-CZ 3.53Å; H342-F376 AromaticContact CD2-CE1 3.71Å; T343-F376 HydrophobicContact CG2-CD1 3.44Å; T343-F376 VanDerWaalsContact CG2-CD1 3.44Å; T343-F376 HydrophobicContact CG2-CE1 3.44Å; T343-F376 VanDerWaalsContact CG2-CE1 3.44Å; L372-F376 HydrophobicContact CB-CD2 4.02Å; L372-F376 HydrophobicContact CB-CE2 4.15Å; L372-F376 HydrophobicContact CD2-CD2 4.29Å; L372-F376 HydrophobicContact CD2-CE2 3.57Å; L372-F376 HydrophobicContact CD2-CZ 4.31Å; L372-F376 HydrophobicContact CG-CE2 4.34Å; L372-F376 WeakPolarHBondContact O-CB 3.38Å; L372-F376 VanDerWaalsContact O-CD2 3.27Å; L372-F376 WeakPolarHBondContact O-CD2 3.48Å; L372-F376 PolarHBondContact O-N 3.34Å; F376-K378 PolarHBondContact O-N 3.41Å; F376-R379 HydrophobicContact CB-CB 4.41Å; F376-R379 WeakPolarHBondContact O-CB 3.46Å; F376-R379 WeakPolarHBondContact O-CG 3.48Å; F376-R379 PolarHBondContact O-N 3.14Å; F376-V381 HydrophobicContact CD1-CG1 4Å; F376-V381 HydrophobicContact CD2-CG2 3.67Å; F376-V381 HydrophobicContact CE1-CG1 4.11Å; F376-V381 HydrophobicContact CE2-CG2 3.61Å; F376-V381 HydrophobicContact CG-CG1 4.24Å; F376-V381 HydrophobicContact CG-CG2 4.19Å; F376-V381 HydrophobicContact CZ-CG1 4.35Å; F376-V381 HydrophobicContact CZ-CG2 4.12Å; F376-F385 HydrophobicContact CE2-CB 4.15Å; F376-F385 HydrophobicContact CE2-CD2 4.35Å; F376-F385 HydrophobicContact CE2-CG 4.23Å; F376-F385 HydrophobicContact CZ-CB 4.12Å; F376-F385 AromaticContact CZ-CD1 3.99Å; F376-F385 HydrophobicContact CZ-CD1 3.99Å; F376-F385 AromaticContact CZ-CD2 3.82Å; F376-F385 HydrophobicContact CZ-CD2 3.82Å; F376-F385 HydrophobicContact CZ-CE1 4.32Å; F376-F385 HydrophobicContact CZ-CE2 4.16Å; F376-F385 AromaticContact CZ-CG 3.73Å; F376-F385 HydrophobicContact CZ-CG 3.73Å; F376-F385 HydrophobicContact CZ-CZ 4.41Å
377G92.1Very high95.1Very high54 Ų5466 Ų6656%0.55733%0.332SS*.THydrogen-bonded Turntrans58.2-107.8-174.400000111.6R373R373-G377 VanDerWaalsContact O-CA 3.23Å; R373-G377 WeakPolarHBondContact O-CA 3.46Å; R373-G377 PolarHBondContact O-N 3.49Å
378K87.6Confident95.2Very high212 Ų21262.4 Ų62.492%0.92231%0.313SS*.THydrogen-bonded Turntrans-103.10.3178.3-63.2-177.9-180178.30113.7F376 E380F376-K378 PolarHBondContact O-N 3.41Å; K378-E380 PolarHBondContact O-N 3.38Å
379R89.6Confident95.2Very high146 Ų14661.8 Ų61.855%0.55131%0.309SS*.  trans-68.8130.9-179.9-63.8-177.1-170.7-171.84.8109.4F376F376-R379 HydrophobicContact CB-CB 4.41Å; F376-R379 WeakPolarHBondContact O-CB 3.46Å; F376-R379 WeakPolarHBondContact O-CG 3.48Å; F376-R379 PolarHBondContact O-N 3.14Å
380E87.9Confident95.3Very high195 Ų19556.5 Ų56.591%0.91130%0.297SS*.  trans-79.2130.3170.6-65.4-168.1146.500109.4K378K378-E380 PolarHBondContact O-N 3.38Å
381V92Very high95.4Very high45 Ų4558 Ų5827%0.27331%0.309SS..  trans-135.3160.9176-64.10000108.8F376 F385F376-V381 HydrophobicContact CD1-CG1 4Å; F376-V381 HydrophobicContact CD2-CG2 3.67Å; F376-V381 HydrophobicContact CE1-CG1 4.11Å; F376-V381 HydrophobicContact CE2-CG2 3.61Å; F376-V381 HydrophobicContact CG-CG1 4.24Å; F376-V381 HydrophobicContact CG-CG2 4.19Å; F376-V381 HydrophobicContact CZ-CG1 4.35Å; F376-V381 HydrophobicContact CZ-CG2 4.12Å; V381-F385 HydrophobicContact CB-CD2 4.31Å; V381-F385 HydrophobicContact CB-CE2 4.43Å; V381-F385 HydrophobicContact CG2-CD2 4.35Å
382S93.6Very high95.4Very high22 Ų2258 Ų5815%0.15431%0.309CS..  trans-65.4163.7174.781.30000112E238 A384E238-S382 WeakPolarHBondContact OE1-CA 3.44Å; E238-S382 WeakPolarHBondContact OE1-CB 3.37Å; E238-S382 PolarHBondContact OE1-N 3.47Å; E238-S382 PolarHBondContact OE1-OG 2.86Å; E238-S382 PolarHBondContact OE2-N 2.94Å; S382-A384 PolarHBondContact O-N 2.84Å; S382-A384 WeakPolarHBondContact OG-CB 3.16Å; S382-A384 PolarHBondContact OG-N 3.3Å
383G95Very high95.5Very high45 Ų4557.8 Ų57.846%0.46431%0.308SS..THydrogen-bonded Turntrans-67-0.8173.600000114.8Q386 S387G383-Q386 PolarHBondContact O-N 3.36Å; G383-S387 WeakPolarHBondContact O-CB 3.42Å; G383-S387 PolarHBondContact O-N 3.37Å; G383-S387 PolarHBondContact O-OG 3.25Å
384A97.4Very high95.6Very high2 Ų255.1 Ų55.12%0.01731%0.309CS..Hα-helixtrans-60.2-51.1-176.300000112.4L242 S382 Q386 S387 F388 L410L242-A384 HydrophobicContact CD1-CB 4.18Å; L242-A384 HydrophobicContact CD2-CB 3.67Å; S382-A384 PolarHBondContact O-N 2.84Å; S382-A384 WeakPolarHBondContact OG-CB 3.16Å; S382-A384 PolarHBondContact OG-N 3.3Å; A384-Q386 VanDerWaalsContact C-N 3.31Å; A384-Q386 PolarHBondContact O-N 2.99Å; A384-S387 PolarHBondContact O-N 3.06Å; A384-F388 WeakPolarHBondContact O-CB 3.18Å; A384-F388 PolarHBondContact O-N 3.42Å; A384-L410 HydrophobicContact CB-CD2 4.09Å
385F97.9Very high95.7Very high2 Ų252.4 Ų52.41%0.00930%0.295CS..Hα-helixtrans-58.6-44.5179.8-68-85.8000111.5E238 V241 M338 L339 H342 L372 F376 V381 L389E238-F385 HydrophobicContact CG-CE2 3.79Å; E238-F385 HydrophobicContact CG-CZ 4.37Å; E238-F385 WeakPolarHBondContact OE1-CE2 3.48Å; V241-F385 HydrophobicContact CG1-CE1 4.03Å; V241-F385 HydrophobicContact CG1-CZ 4.13Å; M338-F385 HydrophobicContact CB-CD1 4.38Å; M338-F385 HydrophobicContact CB-CE1 4.02Å; M338-F385 HydrophobicContact CE-CD1 4.17Å; M338-F385 HydrophobicContact CE-CE1 4.25Å; L339-F385 HydrophobicContact CD2-CD1 4.04Å; H342-F385 HydrophobicContact CB-CE1 4.49Å; H342-F385 HydrophobicContact CB-CZ 4.1Å; H342-F385 AromaticContact CD2-CZ 3.9Å; L372-F385 HydrophobicContact CD2-CB 4.14Å; F376-F385 HydrophobicContact CE2-CB 4.15Å; F376-F385 HydrophobicContact CE2-CD2 4.35Å; F376-F385 HydrophobicContact CE2-CG 4.23Å; F376-F385 HydrophobicContact CZ-CB 4.12Å; F376-F385 AromaticContact CZ-CD1 3.99Å; F376-F385 HydrophobicContact CZ-CD1 3.99Å; F376-F385 AromaticContact CZ-CD2 3.82Å; F376-F385 HydrophobicContact CZ-CD2 3.82Å; F376-F385 HydrophobicContact CZ-CE1 4.32Å; F376-F385 HydrophobicContact CZ-CE2 4.16Å; F376-F385 AromaticContact CZ-CG 3.73Å; F376-F385 HydrophobicContact CZ-CG 3.73Å; F376-F385 HydrophobicContact CZ-CZ 4.41Å; V381-F385 HydrophobicContact CB-CD2 4.31Å; V381-F385 HydrophobicContact CB-CE2 4.43Å; V381-F385 HydrophobicContact CG2-CD2 4.35Å; F385-L389 VanDerWaalsContact O-CB 3.27Å; F385-L389 WeakPolarHBondContact O-CB 3.5Å; F385-L389 WeakPolarHBondContact O-CD1 3.39Å; F385-L389 WeakPolarHBondContact O-CG 3.5Å; F385-L389 PolarHBondContact O-N 2.95Å
386Q97.5Very high95.7Very high84 Ų8457.6 Ų57.639%0.39332%0.317SS..Hα-helixtrans-64.5-46.6179.3-171.7178.2-4400112.4L372 G383 A384 T390L372-Q386 HydrophobicContact CD1-CB 3.43Å; L372-Q386 VanDerWaalsContact CD1-CB 3.43Å; L372-Q386 HydrophobicContact CD1-CG 3.74Å; G383-Q386 PolarHBondContact O-N 3.36Å; A384-Q386 VanDerWaalsContact C-N 3.31Å; A384-Q386 PolarHBondContact O-N 2.99Å; Q386-T390 WeakPolarHBondContact O-CB 3.49Å; Q386-T390 PolarHBondContact O-N 3.33Å; Q386-T390 PolarHBondContact O-OG1 2.94Å
387S98.1Very high95.9Very high55 Ų5557.7 Ų57.739%0.38532%0.317SS..Hα-helixtrans-63.3-47.5-178.5-54.50000110.5G383 A384 A391G383-S387 WeakPolarHBondContact O-CB 3.42Å; G383-S387 PolarHBondContact O-N 3.37Å; G383-S387 PolarHBondContact O-OG 3.25Å; A384-S387 PolarHBondContact O-N 3.06Å; S387-A391 WeakPolarHBondContact O-CB 3.28Å; S387-A391 PolarHBondContact O-N 3.5Å
388F98.8Very high96.2Very high2 Ų259 Ų591%0.00932%0.315CS..Hα-helixtrans-61-55.3177.8-175-93.7000112.2L249 L331 L334 M338 A384 T390 A391 V392 L406 L410L249-F388 HydrophobicContact CD1-CE2 4.16Å; L249-F388 HydrophobicContact CD2-CE2 4.17Å; L331-F388 HydrophobicContact CD2-CZ 4.49Å; L334-F388 HydrophobicContact CD2-CZ 4.06Å; L334-F388 HydrophobicContact CG-CZ 4.31Å; M338-F388 HydrophobicContact CE-CD1 4.49Å; M338-F388 HydrophobicContact SD-CD1 3.96Å; M338-F388 HydrophobicContact SD-CE1 3.93Å; M338-F388 HydrophobicContact SD-CG 4.48Å; M338-F388 HydrophobicContact SD-CZ 4.43Å; A384-F388 WeakPolarHBondContact O-CB 3.18Å; A384-F388 PolarHBondContact O-N 3.42Å; F388-T390 PolarHBondContact O-N 3.37Å; F388-A391 WeakPolarHBondContact O-CB 3.39Å; F388-A391 PolarHBondContact O-N 3.25Å; F388-A391 VanDerWaalsContact O-N 3.17Å; F388-V392 HydrophobicContact CD1-CG1 4.32Å; F388-V392 HydrophobicContact CD1-CG2 4.23Å; F388-V392 HydrophobicContact CD2-CG1 4.5Å; F388-V392 HydrophobicContact CE1-CG1 3.93Å; F388-V392 HydrophobicContact CE1-CG2 4.05Å; F388-V392 HydrophobicContact CE2-CG1 4.13Å; F388-V392 HydrophobicContact CZ-CG1 3.83Å; F388-V392 WeakPolarHBondContact O-CG1 3.3Å; F388-V392 WeakPolarHBondContact O-CG2 3.32Å; F388-V392 PolarHBondContact O-N 2.78Å; F388-L406 HydrophobicContact CD2-CB 4.34Å; F388-L406 HydrophobicContact CD2-CD2 3.92Å; F388-L406 HydrophobicContact CE2-CB 4.28Å; F388-L406 HydrophobicContact CE2-CD1 4.27Å; F388-L406 HydrophobicContact CE2-CD2 4.2Å; F388-L406 HydrophobicContact CE2-CG 4.49Å; F388-L410 HydrophobicContact CB-CD2 4.04Å; F388-L410 HydrophobicContact CD2-CD1 3.94Å; F388-L410 HydrophobicContact CD2-CD2 4.23Å; F388-L410 HydrophobicContact CD2-CG 4.28Å; F388-L410 HydrophobicContact CE2-CD1 4.23Å; F388-L410 HydrophobicContact CG-CD2 4.34Å
389L98.6Very high96.7Very high1 Ų152.7 Ų52.71%0.00529%0.289CS..Hα-helixtrans-63-40.9-178-73165.3000112L339 V368 L371 L372 F385 A391 V392 M393L339-L389 HydrophobicContact CD1-CD1 3.81Å; L339-L389 HydrophobicContact CD2-CD1 4.07Å; L339-L389 HydrophobicContact CG-CD1 4.06Å; V368-L389 HydrophobicContact CG1-CB 3.61Å; L371-L389 HydrophobicContact CD2-CD1 4.46Å; L372-L389 HydrophobicContact CD2-CD1 3.49Å; L372-L389 VanDerWaalsContact CD2-CD1 3.49Å; F385-L389 VanDerWaalsContact O-CB 3.27Å; F385-L389 WeakPolarHBondContact O-CB 3.5Å; F385-L389 WeakPolarHBondContact O-CD1 3.39Å; F385-L389 WeakPolarHBondContact O-CG 3.5Å; F385-L389 PolarHBondContact O-N 2.95Å; L389-A391 VanDerWaalsContact C-N 3.29Å; L389-A391 PolarHBondContact O-N 3.31Å; L389-V392 PolarHBondContact O-N 3.12Å; L389-M393 HydrophobicContact CD2-CE 3.79Å; L389-M393 VanDerWaalsContact O-CB 3.26Å; L389-M393 WeakPolarHBondContact O-CB 3.22Å; L389-M393 WeakPolarHBondContact O-CG 3.28Å; L389-M393 PolarHBondContact O-N 2.67Å
390T98.5Very high97.1Very high69 Ų6952.5 Ų52.542%0.42329%0.294SS..Hα-helixtrans-60.3-43.4176.3-57.40000110.7Q386 F388 S394Q386-T390 WeakPolarHBondContact O-CB 3.49Å; Q386-T390 PolarHBondContact O-N 3.33Å; Q386-T390 PolarHBondContact O-OG1 2.94Å; F388-T390 PolarHBondContact O-N 3.37Å; T390-S394 WeakPolarHBondContact O-CB 3.46Å; T390-S394 PolarHBondContact O-N 3.06Å; T390-S394 PolarHBondContact O-OG 3.27Å
391A98.6Very high97.6Very high34 Ų3443.5 Ų43.528%0.28125%0.252SS..Hα-helixtrans-63.2-53177.300000111.4S387 F388 L389 M393 S394 L406S387-A391 WeakPolarHBondContact O-CB 3.28Å; S387-A391 PolarHBondContact O-N 3.5Å; F388-A391 WeakPolarHBondContact O-CB 3.39Å; F388-A391 PolarHBondContact O-N 3.25Å; F388-A391 VanDerWaalsContact O-N 3.17Å; L389-A391 VanDerWaalsContact C-N 3.29Å; L389-A391 PolarHBondContact O-N 3.31Å; A391-M393 PolarHBondContact O-N 3.06Å; A391-S394 PolarHBondContact O-N 2.92Å; A391-S394 VanDerWaalsContact O-N 3.16Å; A391-S394 PolarHBondContact O-OG 3.24Å; A391-L406 HydrophobicContact CB-CD2 3.75Å
392V98.5Very high98Very high0 Ų046.2 Ų46.20%027%0.265CS..Hα-helixtrans-72.7-27.1-172.1-57.70000113.9L331 Q332 F388 L389 S394 L395 L406L331-V392 HydrophobicContact CB-CB 4.02Å; L331-V392 HydrophobicContact CB-CG1 3.7Å; L331-V392 HydrophobicContact CD1-CG1 4.26Å; L331-V392 HydrophobicContact CG-CG1 4.49Å; Q332-V392 PolarHBondContact NE2-O 3.2Å; F388-V392 HydrophobicContact CD1-CG1 4.32Å; F388-V392 HydrophobicContact CD1-CG2 4.23Å; F388-V392 HydrophobicContact CD2-CG1 4.5Å; F388-V392 HydrophobicContact CE1-CG1 3.93Å; F388-V392 HydrophobicContact CE1-CG2 4.05Å; F388-V392 HydrophobicContact CE2-CG1 4.13Å; F388-V392 HydrophobicContact CZ-CG1 3.83Å; F388-V392 WeakPolarHBondContact O-CG1 3.3Å; F388-V392 WeakPolarHBondContact O-CG2 3.32Å; F388-V392 PolarHBondContact O-N 2.78Å; L389-V392 PolarHBondContact O-N 3.12Å; V392-S394 VanDerWaalsContact C-N 3.29Å; V392-L395 HydrophobicContact CB-CD1 4.36Å; V392-L406 HydrophobicContact CG1-CD1 4.26Å; V392-L406 HydrophobicContact CG1-CD2 4.27Å
393M98.1Very high98.2Very high13 Ų1345.7 Ų45.76%0.06426%0.26CS..Hα-helixtrans-77.3-16.5174.7-62-59.4161.800112.5Q332 Y336 M365 V368 L389 A391Q332-M393 HydrophobicContact CB-CE 4.15Å; Q332-M393 HydrophobicContact CG-CE 3.99Å; Q332-M393 HydrophobicContact CG-SD 3.79Å; Y336-M393 HydrophobicContact CD1-CE 4.21Å; Y336-M393 HydrophobicContact CE1-CE 3.38Å; M365-M393 HydrophobicContact CB-SD 4.36Å; M365-M393 WeakPolarHBondContact CE-O 3.41Å; M365-M393 HydrophobicContact CG-CB 3.98Å; M365-M393 HydrophobicContact CG-CG 4.37Å; M365-M393 HydrophobicContact CG-SD 3.94Å; V368-M393 HydrophobicContact CG2-CB 4.06Å; V368-M393 HydrophobicContact CG2-CG 3.92Å; L389-M393 HydrophobicContact CD2-CE 3.79Å; L389-M393 VanDerWaalsContact O-CB 3.26Å; L389-M393 WeakPolarHBondContact O-CB 3.22Å; L389-M393 WeakPolarHBondContact O-CG 3.28Å; L389-M393 PolarHBondContact O-N 2.67Å; A391-M393 PolarHBondContact O-N 3.06Å
394S98Very high98.3Very high76 Ų7647.5 Ų47.553%0.53127%0.266SS..Hα-helixtrans-90-12.717874.10000114.5T390 A391 V392 Q396T390-S394 WeakPolarHBondContact O-CB 3.46Å; T390-S394 PolarHBondContact O-N 3.06Å; T390-S394 PolarHBondContact O-OG 3.27Å; A391-S394 PolarHBondContact O-N 2.92Å; A391-S394 VanDerWaalsContact O-N 3.16Å; A391-S394 PolarHBondContact O-OG 3.24Å; V392-S394 VanDerWaalsContact C-N 3.29Å; S394-Q396 PolarHBondContact O-N 2.95Å; S394-Q396 PolarHBondContact O-NE2 3.2Å
395L98.6Very high98.4Very high13 Ų1352.8 Ų52.87%0.06829%0.288CS..  trans-61.2132.3-176.5-70.5171000112.5R328 L331 V392 E399 P401R328-L395 HydrophobicContact CB-CB 3.73Å; R328-L395 HydrophobicContact CB-CD1 3.88Å; R328-L395 HydrophobicContact CB-CG 4.48Å; R328-L395 VanDerWaalsContact CD-O 3.26Å; R328-L395 WeakPolarHBondContact CD-O 3.19Å; R328-L395 PolarHBondContact NH1-O 3.32Å; L331-L395 HydrophobicContact CD1-CD1 3.8Å; V392-L395 HydrophobicContact CB-CD1 4.36Å; L395-E399 WeakPolarHBondContact CA-OE2 3.48Å; L395-E399 HydrophobicContact CD2-CB 4.33Å; L395-E399 HydrophobicContact CD2-CG 4Å; L395-E399 WeakPolarHBondContact CD2-OE1 3.37Å; L395-P401 HydrophobicContact CD1-CB 4.26Å; L395-P401 HydrophobicContact CD1-CG 4.03Å; L395-P401 HydrophobicContact CD2-CB 4.49Å
396Q98.5Very high98.4Very high125 Ų12553.3 Ų53.358%0.58429%0.291SS*.  trans-70.8156.6168.6-53.6-55.1-57.900110.8S394 T398 E399S394-Q396 PolarHBondContact O-N 2.95Å; S394-Q396 PolarHBondContact O-NE2 3.2Å; Q396-T398 VanDerWaalsContact C-N 3.28Å; Q396-T398 PolarHBondContact O-N 3.05Å; Q396-E399 HydrophobicContact CB-CB 4.06Å; Q396-E399 PolarHBondContact N-OE2 3.36Å; Q396-E399 VanDerWaalsContact O-CB 3.29Å; Q396-E399 WeakPolarHBondContact O-CB 3.46Å; Q396-E399 PolarHBondContact O-N 2.87Å
397Y98.7Very high98.4Very high16 Ų1651.6 Ų51.66%0.06328%0.282CS..THydrogen-bonded Turntrans-57.3-40.4-173.6180-109.2000113.3H297 V298 Y300 D318 A324 S326 R328H297-Y397 AromaticContact CE1-CD1 3.99Å; H297-Y397 AromaticContact CE1-CE1 3.73Å; H297-Y397 PolarHBondContact NE2-O 2.93Å; V298-Y397 HydrophobicContact CG2-CE1 4.48Å; V298-Y397 WeakPolarHBondContact O-CE1 3.14Å; Y300-Y397 AromaticContact CD2-CD1 4Å; Y300-Y397 HydrophobicContact CD2-CD1 4Å; Y300-Y397 AromaticContact CD2-CD2 3.6Å; Y300-Y397 HydrophobicContact CD2-CD2 3.6Å; Y300-Y397 HydrophobicContact CD2-CE1 4.09Å; Y300-Y397 AromaticContact CD2-CE2 3.7Å; Y300-Y397 HydrophobicContact CD2-CE2 3.7Å; Y300-Y397 AromaticContact CD2-CG 3.74Å; Y300-Y397 HydrophobicContact CD2-CG 3.74Å; Y300-Y397 AromaticContact CD2-CZ 3.95Å; Y300-Y397 HydrophobicContact CE2-CD2 4.18Å; Y300-Y397 HydrophobicContact CE2-CE2 4.3Å; Y300-Y397 HydrophobicContact CG-CD1 4.32Å; Y300-Y397 HydrophobicContact CG-CE1 4.5Å; Y300-Y397 HydrophobicContact CG-CG 4.36Å; D318-Y397 WeakPolarHBondContact OD2-CD2 3.31Å; A324-Y397 VanDerWaalsContact O-CE2 3.25Å; A324-Y397 WeakPolarHBondContact O-CE2 3.49Å; A324-Y397 PolarHBondContact O-OH 3.18Å; S326-Y397 WeakPolarHBondContact CB-O 3.27Å; S326-Y397 WeakPolarHBondContact OG-CD2 3.49Å; S326-Y397 PolarHBondContact OG-O 3.23Å; R328-Y397 VanDerWaalsContact NH1-N 3.18Å
398T98.6Very high98.4Very high82 Ų8252 Ų5250%0.50329%0.285SS..THydrogen-bonded Turntrans-96.13.8-179.661.80000113.2R327 Q396R327-T398 PolarHBondContact NH2-O 3.46Å; Q396-T398 VanDerWaalsContact C-N 3.28Å; Q396-T398 PolarHBondContact O-N 3.05Å
399E98.6Very high98.3Very high80 Ų8054.8 Ų54.837%0.37430%0.298SS..  trans-67.8144.2-174.8-166.7171.1157.500111.4R327 L395 Q396 P401R327-E399 VanDerWaalsContact CZ-O 3.28Å; R327-E399 PolarHBondContact NE-O 2.86Å; R327-E399 VanDerWaalsContact NH2-C 3.35Å; R327-E399 PolarHBondContact NH2-O 3.07Å; R327-E399 VanDerWaalsContact NH2-O 3.12Å; L395-E399 WeakPolarHBondContact CA-OE2 3.48Å; L395-E399 HydrophobicContact CD2-CB 4.33Å; L395-E399 HydrophobicContact CD2-CG 4Å; L395-E399 WeakPolarHBondContact CD2-OE1 3.37Å; Q396-E399 HydrophobicContact CB-CB 4.06Å; Q396-E399 PolarHBondContact N-OE2 3.36Å; Q396-E399 VanDerWaalsContact O-CB 3.29Å; Q396-E399 WeakPolarHBondContact O-CB 3.46Å; Q396-E399 PolarHBondContact O-N 2.87Å; E399-P401 WeakPolarHBondContact O-CD 3.49Å
400E98.4Very high98.3Very high141 Ų14154.8 Ų54.866%0.65930%0.298SS*.  trans-89.5115168.5-174.3166.3178.200109R327R327-E400 IonicContact NH1-OE2 2.81Å
401P98.6Very high98.2Very high6 Ų652.7 Ų52.74%0.03929%0.286CS..  trans-64.6145179.1-20.132.8000111.9R327 L331 L395 E399 Y403R327-P401 HydrophobicContact CB-CG 3.95Å; L331-P401 HydrophobicContact CD1-CB 3.43Å; L331-P401 VanDerWaalsContact CD1-CB 3.43Å; L331-P401 HydrophobicContact CD1-CG 3.38Å; L395-P401 HydrophobicContact CD1-CB 4.26Å; L395-P401 HydrophobicContact CD1-CG 4.03Å; L395-P401 HydrophobicContact CD2-CB 4.49Å; E399-P401 WeakPolarHBondContact O-CD 3.49Å; P401-Y403 VanDerWaalsContact C-N 3.34Å; P401-Y403 HydrophobicContact CB-CD2 4.4Å; P401-Y403 HydrophobicContact CB-CE1 4.16Å; P401-Y403 HydrophobicContact CB-CE2 4Å; P401-Y403 WeakPolarHBondContact CD-OH 3.17Å; P401-Y403 HydrophobicContact CG-CE1 4.28Å; P401-Y403 HydrophobicContact CG-CE2 4.18Å; P401-Y403 WeakPolarHBondContact CG-OH 3.28Å; P401-Y403 WeakPolarHBondContact O-CD2 3.38Å; P401-Y403 VanDerWaalsContact O-CE2 3.29Å; P401-Y403 WeakPolarHBondContact O-CE2 3.38Å; P401-Y403 PolarHBondContact O-N 3.2Å; P401-Y403 VanDerWaalsContact O-N 3.07Å
402N98.5Very high98.1Very high102 Ų10253 Ų5355%0.54529%0.289SS..  trans-82.780.4168.9-170.1-27.4000110S404 K405 L406N402-S404 VanDerWaalsContact C-N 3.29Å; N402-S404 PolarHBondContact O-N 3.39Å; N402-K405 HydrophobicContact CB-CB 4.04Å; N402-K405 VanDerWaalsContact CG-CB 3.46Å; N402-K405 PolarHBondContact O-N 2.75Å; N402-K405 WeakPolarHBondContact OD1-CB 3.22Å; N402-K405 PolarHBondContact OD1-N 2.75Å; N402-L406 WeakPolarHBondContact O-CG 3.37Å; N402-L406 PolarHBondContact O-N 2.98Å; N402-L406 VanDerWaalsContact O-N 3.08Å
403Y98.7Very high98Very high11 Ų1153.8 Ų53.84%0.04329%0.294CS..Hα-helixtrans-56.4-42.3-178.1-59.4-86.7000112.3L249 E253 H256 L331 P401 K405 L406 K407L249-Y403 HydrophobicContact CD2-CD1 4.45Å; E253-Y403 HydrophobicContact CB-CD1 3.89Å; E253-Y403 HydrophobicContact CB-CD2 4.16Å; E253-Y403 HydrophobicContact CB-CE1 4.38Å; E253-Y403 HydrophobicContact CB-CG 3.79Å; E253-Y403 HydrophobicContact CG-CD1 4.36Å; E253-Y403 HydrophobicContact CG-CD2 3.73Å; E253-Y403 HydrophobicContact CG-CE2 4.33Å; E253-Y403 HydrophobicContact CG-CG 3.77Å; H256-Y403 WeakPolarHBondContact CB-OH 3.28Å; H256-Y403 VanDerWaalsContact CG-OH 3.27Å; H256-Y403 AromaticContact ND1-CE1 3.51Å; H256-Y403 AromaticContact ND1-CZ 3.43Å; H256-Y403 PolarHBondContact ND1-OH 2.58Å; L331-Y403 HydrophobicContact CD1-CE1 4.36Å; L331-Y403 HydrophobicContact CD2-CE1 4.35Å; P401-Y403 VanDerWaalsContact C-N 3.34Å; P401-Y403 HydrophobicContact CB-CD2 4.4Å; P401-Y403 HydrophobicContact CB-CE1 4.16Å; P401-Y403 HydrophobicContact CB-CE2 4Å; P401-Y403 WeakPolarHBondContact CD-OH 3.17Å; P401-Y403 HydrophobicContact CG-CE1 4.28Å; P401-Y403 HydrophobicContact CG-CE2 4.18Å; P401-Y403 WeakPolarHBondContact CG-OH 3.28Å; P401-Y403 WeakPolarHBondContact O-CD2 3.38Å; P401-Y403 VanDerWaalsContact O-CE2 3.29Å; P401-Y403 WeakPolarHBondContact O-CE2 3.38Å; P401-Y403 PolarHBondContact O-N 3.2Å; P401-Y403 VanDerWaalsContact O-N 3.07Å; Y403-K405 VanDerWaalsContact C-N 3.35Å; Y403-K405 PolarHBondContact O-N 2.96Å; Y403-L406 PolarHBondContact O-N 3.11Å; Y403-K407 WeakPolarHBondContact O-CB 3.37Å; Y403-K407 PolarHBondContact O-N 3.16Å
404S97.6Very high97.9Very high84 Ų8453.2 Ų53.259%0.58729%0.291SS*.Hα-helixtrans-57.8-45.5177.4-178.50000112N402 S408N402-S404 VanDerWaalsContact C-N 3.29Å; N402-S404 PolarHBondContact O-N 3.39Å; S404-S408 VanDerWaalsContact O-CB 3.26Å; S404-S408 WeakPolarHBondContact O-CB 3.41Å; S404-S408 PolarHBondContact O-N 2.83Å; S404-S408 PolarHBondContact O-OG 3.07Å
405K98.4Very high97.8Very high113 Ų11355.8 Ų55.849%0.49130%0.295SS..Hα-helixtrans-62.7-51.3176.1-177.8178.1174.1-1770111.3N402 Y403 K407 S408 E409N402-K405 HydrophobicContact CB-CB 4.04Å; N402-K405 VanDerWaalsContact CG-CB 3.46Å; N402-K405 PolarHBondContact O-N 2.75Å; N402-K405 WeakPolarHBondContact OD1-CB 3.22Å; N402-K405 PolarHBondContact OD1-N 2.75Å; Y403-K405 VanDerWaalsContact C-N 3.35Å; Y403-K405 PolarHBondContact O-N 2.96Å; K405-K407 VanDerWaalsContact C-N 3.32Å; K405-K407 PolarHBondContact O-N 3.31Å; K405-S408 WeakPolarHBondContact CA-OG 3.38Å; K405-S408 PolarHBondContact O-N 3.5Å; K405-S408 VanDerWaalsContact O-N 3.15Å; K405-S408 PolarHBondContact O-OG 3.05Å; K405-E409 WeakPolarHBondContact CE-OE1 3.46Å; K405-E409 IonicContact NZ-OE1 3.88Å; K405-E409 WeakPolarHBondContact O-CG 3.37Å; K405-E409 PolarHBondContact O-N 3.41Å
406L98.6Very high97.7Very high12 Ų1262.8 Ų62.86%0.06333%0.327CS..Hα-helixtrans-54.1-49.4178.7-67172.7000111.1L249 L331 F388 A391 V392 N402 Y403 S408 E409 L410L249-L406 HydrophobicContact CD1-CB 4.14Å; L249-L406 HydrophobicContact CD2-CD1 4.46Å; L331-L406 HydrophobicContact CD1-CD1 4Å; L331-L406 HydrophobicContact CD2-CD1 4.4Å; F388-L406 HydrophobicContact CD2-CB 4.34Å; F388-L406 HydrophobicContact CD2-CD2 3.92Å; F388-L406 HydrophobicContact CE2-CB 4.28Å; F388-L406 HydrophobicContact CE2-CD1 4.27Å; F388-L406 HydrophobicContact CE2-CD2 4.2Å; F388-L406 HydrophobicContact CE2-CG 4.49Å; A391-L406 HydrophobicContact CB-CD2 3.75Å; V392-L406 HydrophobicContact CG1-CD1 4.26Å; V392-L406 HydrophobicContact CG1-CD2 4.27Å; N402-L406 WeakPolarHBondContact O-CG 3.37Å; N402-L406 PolarHBondContact O-N 2.98Å; N402-L406 VanDerWaalsContact O-N 3.08Å; Y403-L406 PolarHBondContact O-N 3.11Å; L406-S408 PolarHBondContact O-N 2.89Å; L406-E409 PolarHBondContact O-N 3.4Å; L406-L410 WeakPolarHBondContact O-CG 3.42Å; L406-L410 PolarHBondContact O-N 3.29Å
407K97.9Very high97.4Very high48 Ų4859.7 Ų59.721%0.20932%0.315CS..Hα-helixtrans-63.8-41.9178.7-171.7-178.8-175.8-179.90112.2C246 L249 D250 Y403 K405 E409 L410 S411C246-K407 HydrophobicContact CB-CG 4.38Å; L249-K407 HydrophobicContact CD1-CB 4.23Å; D250-K407 WeakPolarHBondContact OD1-CE 3.4Å; D250-K407 IonicContact OD1-NZ 3.56Å; D250-K407 PolarHBondContact OD1-NZ 3.19Å; D250-K407 IonicContact OD2-NZ 2.72Å; D250-K407 PolarHBondContact OD2-NZ 3.34Å; Y403-K407 WeakPolarHBondContact O-CB 3.37Å; Y403-K407 PolarHBondContact O-N 3.16Å; K405-K407 VanDerWaalsContact C-N 3.32Å; K405-K407 PolarHBondContact O-N 3.31Å; K407-E409 PolarHBondContact O-N 3.35Å; K407-L410 PolarHBondContact O-N 3.36Å; K407-S411 VanDerWaalsContact O-CB 3.26Å; K407-S411 WeakPolarHBondContact O-CB 3.4Å; K407-S411 PolarHBondContact O-N 3.01Å; K407-S411 PolarHBondContact O-OG 2.93Å
408S97.3Very high97.2Very high63 Ų6361.5 Ų61.544%0.44134%0.338SS..Hα-helixtrans-63.9-39.6-179.572.60000112.5S404 K405 L406 S411 A412S404-S408 VanDerWaalsContact O-CB 3.26Å; S404-S408 WeakPolarHBondContact O-CB 3.41Å; S404-S408 PolarHBondContact O-N 2.83Å; S404-S408 PolarHBondContact O-OG 3.07Å; K405-S408 WeakPolarHBondContact CA-OG 3.38Å; K405-S408 PolarHBondContact O-N 3.5Å; K405-S408 VanDerWaalsContact O-N 3.15Å; K405-S408 PolarHBondContact O-OG 3.05Å; L406-S408 PolarHBondContact O-N 2.89Å; S408-S411 PolarHBondContact O-N 3.37Å; S408-A412 VanDerWaalsContact O-CB 3.3Å; S408-A412 WeakPolarHBondContact O-CB 3.46Å; S408-A412 PolarHBondContact O-N 3.2Å
409E97.9Very high96.8Very high62 Ų6257.9 Ų57.929%0.2932%0.318SS..Hα-helixtrans-68.2-45.5178.2-71.1176.2178.500111K405 L406 K407 S411 A412 S413K405-E409 WeakPolarHBondContact CE-OE1 3.46Å; K405-E409 IonicContact NZ-OE1 3.88Å; K405-E409 WeakPolarHBondContact O-CG 3.37Å; K405-E409 PolarHBondContact O-N 3.41Å; L406-E409 PolarHBondContact O-N 3.4Å; K407-E409 PolarHBondContact O-N 3.35Å; E409-S411 PolarHBondContact O-N 3.26Å; E409-A412 PolarHBondContact O-N 3.17Å; E409-S413 PolarHBondContact O-N 3.25Å; E409-S413 VanDerWaalsContact O-N 3.14Å; E409-S413 PolarHBondContact O-OG 3.41Å
410L98.1Very high96.4Very high1 Ų155.4 Ų55.41%0.00531%0.309CS..Hα-helixtrans-61.5-43.4174.7-63.7177.3000111.7L242 A245 L249 M338 A384 F388 L406 K407 S413 L414L242-L410 HydrophobicContact CD2-CD2 3.74Å; A245-L410 HydrophobicContact CB-CD1 3.89Å; L249-L410 HydrophobicContact CD1-CD1 3.62Å; M338-L410 HydrophobicContact CE-CD2 4Å; A384-L410 HydrophobicContact CB-CD2 4.09Å; F388-L410 HydrophobicContact CB-CD2 4.04Å; F388-L410 HydrophobicContact CD2-CD1 3.94Å; F388-L410 HydrophobicContact CD2-CD2 4.23Å; F388-L410 HydrophobicContact CD2-CG 4.28Å; F388-L410 HydrophobicContact CE2-CD1 4.23Å; F388-L410 HydrophobicContact CG-CD2 4.34Å; L406-L410 WeakPolarHBondContact O-CG 3.42Å; L406-L410 PolarHBondContact O-N 3.29Å; K407-L410 PolarHBondContact O-N 3.36Å; L410-S413 PolarHBondContact O-N 2.91Å; L410-L414 WeakPolarHBondContact O-CB 3.1Å; L410-L414 PolarHBondContact O-N 3.22Å
411S96.2Very high95.9Very high24 Ų2449.6 Ų49.617%0.16828%0.283CS..Hα-helixtrans-65.9-38.9179.7-59.80000111.9K407 S408 E409 L414 Q415K407-S411 VanDerWaalsContact O-CB 3.26Å; K407-S411 WeakPolarHBondContact O-CB 3.4Å; K407-S411 PolarHBondContact O-N 3.01Å; K407-S411 PolarHBondContact O-OG 2.93Å; S408-S411 PolarHBondContact O-N 3.37Å; E409-S411 PolarHBondContact O-N 3.26Å; S411-L414 PolarHBondContact O-N 3.27Å; S411-Q415 WeakPolarHBondContact O-CG 3.27Å; S411-Q415 PolarHBondContact O-N 2.91Å
412A96.8Very high95Very high41 Ų4155.3 Ų55.334%0.33931%0.309SS..Hα-helixtrans-64-43.6176.700000111.7S408 E409 Q415 Q416S408-A412 VanDerWaalsContact O-CB 3.3Å; S408-A412 WeakPolarHBondContact O-CB 3.46Å; S408-A412 PolarHBondContact O-N 3.2Å; E409-A412 PolarHBondContact O-N 3.17Å; A412-Q415 PolarHBondContact O-N 2.52Å; A412-Q416 WeakPolarHBondContact O-CG 3.37Å; A412-Q416 PolarHBondContact O-N 3.14Å
413S96.9Very high94.2Very high16 Ų1654.8 Ų54.811%0.11230%0.303CS..Hα-helixtrans-65.7-39.6174.1-66.10000112.3E409 L410 Q415 Q416 L417E409-S413 PolarHBondContact O-N 3.25Å; E409-S413 VanDerWaalsContact O-N 3.14Å; E409-S413 PolarHBondContact O-OG 3.41Å; L410-S413 PolarHBondContact O-N 2.91Å; S413-Q415 VanDerWaalsContact C-N 3.31Å; S413-Q415 PolarHBondContact O-N 3.18Å; S413-Q416 PolarHBondContact O-N 3.45Å; S413-L417 WeakPolarHBondContact O-CG 3.21Å; S413-L417 PolarHBondContact O-N 3.29Å
414L95.9Very high93.3Very high1 Ų157.1 Ų57.11%0.00532%0.32CS..Hα-helixtrans-58.9-42.2174.1177.160.7000111.9K239 L242 Q243 L410 S411 L417 G418 G419 V421K239-L414 HydrophobicContact CB-CD1 3.95Å; K239-L414 HydrophobicContact CG-CD1 4.22Å; L242-L414 HydrophobicContact CB-CB 4.22Å; L242-L414 HydrophobicContact CB-CD1 4.36Å; L242-L414 HydrophobicContact CD1-CB 4.19Å; Q243-L414 HydrophobicContact CG-CD1 4.12Å; Q243-L414 HydrophobicContact CG-CD2 3.62Å; L410-L414 WeakPolarHBondContact O-CB 3.1Å; L410-L414 PolarHBondContact O-N 3.22Å; S411-L414 PolarHBondContact O-N 3.27Å; L414-L417 PolarHBondContact O-N 3.04Å; L414-G418 PolarHBondContact O-N 3.44Å; L414-G419 CarbonylContact C-O 3.35Å; L414-G419 PolarHBondContact O-N 3.01Å; L414-V421 HydrophobicContact CD2-CG2 3.93Å
415Q95.6Very high92.5Very high131 Ų13153.2 Ų53.261%0.61229%0.292SS*.Hα-helixtrans-63.7-40.9175.3-73.9173.3-0.900112.5S411 A412 S413 L417 G418 G419S411-Q415 WeakPolarHBondContact O-CG 3.27Å; S411-Q415 PolarHBondContact O-N 2.91Å; A412-Q415 PolarHBondContact O-N 2.52Å; S413-Q415 VanDerWaalsContact C-N 3.31Å; S413-Q415 PolarHBondContact O-N 3.18Å; Q415-L417 PolarHBondContact O-N 3.5Å; Q415-G418 WeakPolarHBondContact O-CA 3.4Å; Q415-G418 PolarHBondContact O-N 3.45Å; Q415-G419 WeakPolarHBondContact CA-O 3.41Å
416Q95.2Very high91.3Very high159 Ų15950.8 Ų50.874%0.74329%0.285SS*.Hα-helixtrans-63.1-32.9175.7-71.3172.23.200112.4A412 S413 G418A412-Q416 WeakPolarHBondContact O-CG 3.37Å; A412-Q416 PolarHBondContact O-N 3.14Å; S413-Q416 PolarHBondContact O-N 3.45Å; Q416-G418 PolarHBondContact O-N 3.25Å
417L93.9Very high90.3Very high60 Ų6050.3 Ų50.331%0.31428%0.282SS..THydrogen-bonded Turntrans-74.4-8172.6-63.2171.2000112.2E238 K239 L242 S413 L414 Q415E238-L417 HydrophobicContact CB-CD1 4.27Å; E238-L417 HydrophobicContact CG-CD1 3.67Å; K239-L417 WeakPolarHBondContact CE-O 3.22Å; K239-L417 HydrophobicContact CG-CB 4.04Å; K239-L417 HydrophobicContact CG-CD1 4.38Å; K239-L417 PolarHBondContact NZ-O 3.34Å; L242-L417 HydrophobicContact CD1-CD1 4Å; S413-L417 WeakPolarHBondContact O-CG 3.21Å; S413-L417 PolarHBondContact O-N 3.29Å; L414-L417 PolarHBondContact O-N 3.04Å; Q415-L417 PolarHBondContact O-N 3.5Å
418G92.6Very high88.8Confident54 Ų5450 Ų5056%0.55729%0.285SS*.THydrogen-bonded Turntrans7839-176.200000112.7K239 L414 Q415 Q416K239-G418 PolarHBondContact NZ-O 2.9Å; K239-G418 VanDerWaalsContact NZ-O 3.17Å; L414-G418 PolarHBondContact O-N 3.44Å; Q415-G418 WeakPolarHBondContact O-CA 3.4Å; Q415-G418 PolarHBondContact O-N 3.45Å; Q416-G418 PolarHBondContact O-N 3.25Å
419G91Very high87.3Confident7 Ų749.2 Ų49.27%0.07228%0.275CS..  trans-124.1171.316900000111.8L414 Q415L414-G419 CarbonylContact C-O 3.35Å; L414-G419 PolarHBondContact O-N 3.01Å; Q415-G419 WeakPolarHBondContact CA-O 3.41Å
420S90.4Very high85.3Confident27 Ų2747.1 Ų47.119%0.18927%0.267CS..  trans-142.2161.5169.897.50000111.4Q243 E422 Q423Q243-S420 PolarHBondContact NE2-O 3.38Å; S420-E422 VanDerWaalsContact C-N 3.26Å; S420-E422 VanDerWaalsContact CB-OE2 3.22Å; S420-E422 WeakPolarHBondContact CB-OE2 3.25Å; S420-E422 PolarHBondContact O-N 2.84Å; S420-E422 PolarHBondContact OG-N 2.84Å; S420-E422 PolarHBondContact OG-OE2 2.89Å; S420-Q423 PolarHBondContact OG-N 3.43Å
421V87.1Confident83.3Confident19 Ų1956.9 Ų56.912%0.11531%0.31CS..SBendtrans-69-30.4-179.8-179.20000110.8C246 R247 L414C246-V421 HydrophobicContact CB-CG1 4.16Å; C246-V421 HydrophobicContact CB-CG2 3.78Å; R247-V421 HydrophobicContact CG-CG1 4.23Å; R247-V421 PolarHBondContact NH1-O 3.48Å; R247-V421 PolarHBondContact NH2-O 3.38Å; L414-V421 HydrophobicContact CD2-CG2 3.93Å
422E80.7Confident82.6Confident126 Ų12658.5 Ų58.559%0.58932%0.317SS*.SBendtrans-79.4-20.4-175.7-53.872.7-157.400113.1S420S420-E422 VanDerWaalsContact C-N 3.26Å; S420-E422 VanDerWaalsContact CB-OE2 3.22Å; S420-E422 WeakPolarHBondContact CB-OE2 3.25Å; S420-E422 PolarHBondContact O-N 2.84Å; S420-E422 PolarHBondContact OG-N 2.84Å; S420-E422 PolarHBondContact OG-OE2 2.89Å
423Q81.2Confident81.9Confident92 Ų9259.4 Ų59.443%0.4332%0.316SS..SBendtrans-63.7155.3174-74.8174.6-21.100110.9R247 S420R247-Q423 PolarHBondContact NH2-O 2.95Å; S420-Q423 PolarHBondContact OG-N 3.43Å
424P80.2Confident81Confident59 Ų5961.8 Ų61.838%0.38333%0.327SS..PPolyproline II helixtrans-48.6145.3166.4-2533.3000110.4Q243 N426Q243-P424 PolarHBondContact NE2-O 2.98Å; P424-N426 PolarHBondContact O-N 3.08Å
425L81.4Confident80.2Confident2 Ų265.4 Ų65.41%0.0135%0.346CS..PPolyproline II helixtrans-57.3131.8173.1-98.8156.9000108.8Q243 L244 V272 S278 V280 L427 C430Q243-L425 HydrophobicContact CB-CD2 4.19Å; L244-L425 HydrophobicContact CD2-CD1 4.09Å; L244-L425 HydrophobicContact CD2-CD2 3.74Å; L244-L425 HydrophobicContact CG-CD2 3.74Å; V272-L425 HydrophobicContact CG1-CD1 3.83Å; V272-L425 HydrophobicContact CG2-CD1 4.32Å; S278-L425 PolarHBondContact OG-N 3.46Å; S278-L425 VanDerWaalsContact OG-N 3.12Å; V280-L425 HydrophobicContact CG2-CD1 3.23Å; V280-L425 HydrophobicContact CG2-CG 4.39Å; L425-L427 HydrophobicContact CB-CB 4.46Å; L425-L427 HydrophobicContact CB-CD1 4.08Å; L425-L427 HydrophobicContact CB-CG 4.07Å; L425-L427 HydrophobicContact CD1-CD1 4.13Å; L425-L427 HydrophobicContact CD2-CD1 4.14Å; L425-L427 HydrophobicContact CD2-CG 4.26Å; L425-L427 HydrophobicContact CG-CD1 4.36Å; L425-L427 PolarHBondContact O-N 3.32Å; L425-C430 HydrophobicContact CB-CB 4.32Å; L425-C430 WeakPolarHBondContact O-CB 3.17Å
426N72.9Confident79.2Confident63 Ų6361.3 Ų61.334%0.33733%0.329SS..SBendtrans-76.258.8173.7-171.624000110.7S237 A240 P424 K431S237-N426 PolarHBondContact OG-ND2 3.14Å; A240-N426 HydrophobicContact CB-CB 4.31Å; P424-N426 PolarHBondContact O-N 3.08Å; N426-K431 WeakPolarHBondContact OD1-CE 3.33Å
427L76.7Confident78.1Confident1 Ų154.8 Ų54.81%0.00530%0.302CS..SBendtrans-113144.5173.8-65175.9000108.1L225 L236 V272 L425 I429 C430 K431L225-L427 HydrophobicContact CD1-CD1 4.3Å; L236-L427 HydrophobicContact CD1-CD2 4.37Å; L236-L427 HydrophobicContact CD2-CD2 3.32Å; L236-L427 HydrophobicContact CG-CD2 4.47Å; V272-L427 HydrophobicContact CB-CD1 4.5Å; V272-L427 HydrophobicContact CG1-CD1 4.09Å; V272-L427 HydrophobicContact CG2-CD1 3.99Å; L425-L427 HydrophobicContact CB-CB 4.46Å; L425-L427 HydrophobicContact CB-CD1 4.08Å; L425-L427 HydrophobicContact CB-CG 4.07Å; L425-L427 HydrophobicContact CD1-CD1 4.13Å; L425-L427 HydrophobicContact CD2-CD1 4.14Å; L425-L427 HydrophobicContact CD2-CG 4.26Å; L425-L427 HydrophobicContact CG-CD1 4.36Å; L425-L427 PolarHBondContact O-N 3.32Å; L427-I429 VanDerWaalsContact C-N 3.28Å; L427-I429 HydrophobicContact CB-CG1 4.09Å; L427-I429 PolarHBondContact O-N 3.49Å; L427-C430 HydrophobicContact CB-CB 4.42Å; L427-C430 WeakPolarHBondContact O-CA 3.36Å; L427-C430 WeakPolarHBondContact O-CB 3.23Å; L427-C430 PolarHBondContact O-N 2.94Å; L427-K431 PolarHBondContact O-N 2.72Å
428P67.4Low77Confident42 Ų4254.4 Ų54.427%0.27330%0.301SS..G310 helixtrans-54.3-41.3-179.5-30.439.9000113.7E232 C430 K431E232-P428 HydrophobicContact CB-CG 4.42Å; E232-P428 VanDerWaalsContact CD-CG 3.45Å; E232-P428 HydrophobicContact CG-CB 4Å; E232-P428 HydrophobicContact CG-CG 3.71Å; E232-P428 WeakPolarHBondContact OE1-CB 3.4Å; E232-P428 WeakPolarHBondContact OE2-CB 2.82Å; E232-P428 WeakPolarHBondContact OE2-CG 3.42Å; P428-C430 PolarHBondContact O-N 3.01Å; P428-K431 PolarHBondContact O-N 2.89Å; P428-K431 VanDerWaalsContact O-N 3.14Å
429I65.5Low75.8Confident46 Ų4654.5 Ų54.524%0.23628%0.281CS..G310 helixtrans-63.5-11.8175.762.5153.9000115I228 V272 P274 L427I228-I429 HydrophobicContact CD1-CD1 3.25Å; I228-I429 HydrophobicContact CD1-CG1 4.2Å; I228-I429 HydrophobicContact CG1-CD1 3.73Å; I228-I429 HydrophobicContact CG1-CG1 4.39Å; I228-I429 HydrophobicContact CG2-CD1 4.5Å; I228-I429 HydrophobicContact CG2-CG1 4.33Å; I228-I429 HydrophobicContact CG2-CG2 4.48Å; V272-I429 HydrophobicContact CB-CD1 4.19Å; V272-I429 HydrophobicContact CG1-CD1 3.96Å; P274-I429 WeakPolarHBondContact CB-O 3.46Å; P274-I429 HydrophobicContact CG-CB 4.47Å; P274-I429 HydrophobicContact CG-CD1 4.05Å; P274-I429 WeakPolarHBondContact CG-O 3.48Å; L427-I429 VanDerWaalsContact C-N 3.28Å; L427-I429 HydrophobicContact CB-CG1 4.09Å; L427-I429 PolarHBondContact O-N 3.49Å
430C56.3Low74.5Confident18 Ų1858.4 Ų58.412%0.12230%0.299CS..G310 helixtrans-109.92.8-178.8-70.40000112.8S278 L425 L427 P428S278-C430 PolarHBondContact OG-SG 2.82Å; L425-C430 HydrophobicContact CB-CB 4.32Å; L425-C430 WeakPolarHBondContact O-CB 3.17Å; L427-C430 HydrophobicContact CB-CB 4.42Å; L427-C430 WeakPolarHBondContact O-CA 3.36Å; L427-C430 WeakPolarHBondContact O-CB 3.23Å; L427-C430 PolarHBondContact O-N 2.94Å; P428-C430 PolarHBondContact O-N 3.01Å
431K54.6Low73.1Confident206 Ų20661.3 Ų61.390%0.89631%0.309SS*.  trans-89.30-179.6-73.7-180-175.4168.90113.3N426 L427 P428N426-K431 WeakPolarHBondContact OD1-CE 3.33Å; L427-K431 PolarHBondContact O-N 2.72Å; P428-K431 PolarHBondContact O-N 2.89Å; P428-K431 VanDerWaalsContact O-N 3.14Å

Retrieved 431 of 431 residues in 534.5 ms (Link to these results)

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