A0A087XKK2_POEFO Loading...

Cholesterol side-chain cleavage enzyme, mitochondrial

A cytochrome P450 monooxygenase that catalyzes the side-chain hydroxylation and cleavage of cholesterol to pregnenolone, the precursor of most steroid hormones. Catalyzes three sequential oxidation reactions of cholesterol, namely the hydroxylation at C22 followed with the hydroxylation at C20 to yield 20R,22R-hydroxycholesterol that is further cleaved between C20 and C22 to yield the C21-steroid pregnenolone and 4-methylpentanal. Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate and reducing the second into a water molecule. Two electrons are provided by NADPH via a two-protein mitochondrial transfer system comprising flavoprotein FDXR (adrenodoxin/ferredoxin reductase) and nonheme iron-sulfur protein FDX1 or FDX2 (adrenodoxin/ferredoxin).

AlphaFold DB , UniProt , Accession A0A087XKK2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 529 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
1E34.8Very low45.8Very low201 Ų20168.2 Ų68.294%0.93935%0.348SS*.  0-48.90-73-179.1147.400114.9V3 G4 N5E1-V3 PolarHBondContact O-N 3.04Å; E1-G4 WeakPolarHBondContact O-CA 3.42Å; E1-G4 PolarHBondContact O-N 3.49Å; E1-G4 VanDerWaalsContact O-N 3.13Å; E1-N5 PolarHBondContact O-N 3.19Å
2A34.2Very low46.1Very low29 Ų2972.1 Ų72.124%0.2436%0.364CS..Hα-helixtrans-61.1-39.9-179.400000114.3C6A2-C6 PolarHBondContact O-N 2.86Å
3V40.9Very low46.2Very low57 Ų5772.5 Ų72.535%0.34537%0.365SS..Hα-helixtrans-61.3-52.8170.2179.90000109.2E1 N5 C6 E7E1-V3 PolarHBondContact O-N 3.04Å; V3-N5 PolarHBondContact O-N 2.58Å; V3-C6 CarbonylContact O-C 3.55Å; V3-C6 WeakPolarHBondContact O-CA 3.36Å; V3-C6 WeakPolarHBondContact O-CB 3.09Å; V3-C6 PolarHBondContact O-N 3.2Å; V3-E7 HydrophobicContact CG1-CG 3.9Å; V3-E7 WeakPolarHBondContact CG1-OE1 3.27Å; V3-E7 VanDerWaalsContact O-CG 3.23Å; V3-E7 WeakPolarHBondContact O-CG 3.3Å; V3-E7 PolarHBondContact O-N 3.2Å
4G43.9Very low46.2Very low24 Ų2471 Ų7125%0.24737%0.37CS..Hα-helixtrans-52.4-31.5178.100000116.3E1 E7 R8E1-G4 WeakPolarHBondContact O-CA 3.42Å; E1-G4 PolarHBondContact O-N 3.49Å; E1-G4 VanDerWaalsContact O-N 3.13Å; G4-E7 WeakPolarHBondContact CA-OE2 3.18Å; G4-R8 WeakPolarHBondContact O-CG 3.38Å; G4-R8 PolarHBondContact O-N 3.06Å
5N47.3Very low46Very low86 Ų8680.9 Ų80.946%0.4640%0.4SS..Hα-helixtrans-77.8-37.1174.5-74.9-15.4000112.9E1 V3 E7 F9E1-N5 PolarHBondContact O-N 3.19Å; V3-N5 PolarHBondContact O-N 2.58Å; N5-E7 VanDerWaalsContact C-N 3.31Å; N5-F9 WeakPolarHBondContact O-CB 3.48Å; N5-F9 PolarHBondContact O-N 2.71Å
6C44.3Very low45.6Very low11 Ų1181.3 Ų81.37%0.07440%0.404CS..Hα-helixtrans-64.7-37.6167.8-87.80000111.5A2 V3 F9 V10 P259 I263A2-C6 PolarHBondContact O-N 2.86Å; V3-C6 CarbonylContact O-C 3.55Å; V3-C6 WeakPolarHBondContact O-CA 3.36Å; V3-C6 WeakPolarHBondContact O-CB 3.09Å; V3-C6 PolarHBondContact O-N 3.2Å; C6-F9 PolarHBondContact O-N 2.83Å; C6-V10 WeakPolarHBondContact O-CG2 3.46Å; C6-V10 PolarHBondContact O-N 2.78Å; C6-P259 HydrophobicContact CB-CB 4.48Å; C6-I263 HydrophobicContact CB-CD1 4.39Å
7E51.4Low45.2Very low66 Ų6682.1 Ų82.131%0.30842%0.419SS..Hα-helixtrans-63.7-43177.3-66.2-176.7153.100111.7V3 G4 N5 V10 A11 W79V3-E7 HydrophobicContact CG1-CG 3.9Å; V3-E7 WeakPolarHBondContact CG1-OE1 3.27Å; V3-E7 VanDerWaalsContact O-CG 3.23Å; V3-E7 WeakPolarHBondContact O-CG 3.3Å; V3-E7 PolarHBondContact O-N 3.2Å; G4-E7 WeakPolarHBondContact CA-OE2 3.18Å; N5-E7 VanDerWaalsContact C-N 3.31Å; E7-V10 PolarHBondContact O-N 3.26Å; E7-A11 VanDerWaalsContact O-CB 3.26Å; E7-A11 WeakPolarHBondContact O-CB 3.34Å; E7-A11 PolarHBondContact O-N 3.48Å; E7-W79 HydrophobicContact CB-CZ2 3.81Å; E7-W79 HydrophobicContact CG-CZ2 4.32Å
8R52.8Low44.6Very low181 Ų18183.4 Ų83.468%0.68343%0.425SS*.Hα-helixtrans-61.6-45.3171.3-77.4-179.7-175.7-178.12111.6G4 V10 A11 E12G4-R8 WeakPolarHBondContact O-CG 3.38Å; G4-R8 PolarHBondContact O-N 3.06Å; R8-V10 PolarHBondContact O-N 3.28Å; R8-A11 PolarHBondContact O-N 2.99Å; R8-E12 WeakPolarHBondContact O-CB 3.43Å; R8-E12 PolarHBondContact O-N 3.21Å
9F52.9Low44.5Very low57 Ų5790.5 Ų90.525%0.2545%0.446CS..Hα-helixtrans-61.3-43.5177.5-178.3-100.9000112.5N5 C6 E12 M13 I263N5-F9 WeakPolarHBondContact O-CB 3.48Å; N5-F9 PolarHBondContact O-N 2.71Å; C6-F9 PolarHBondContact O-N 2.83Å; F9-E12 PolarHBondContact O-N 3.12Å; F9-M13 HydrophobicContact CD1-CG 4.16Å; F9-M13 HydrophobicContact CD2-CG 4.48Å; F9-M13 HydrophobicContact CE1-CG 3.84Å; F9-M13 HydrophobicContact CE2-CG 4.19Å; F9-M13 HydrophobicContact CE2-SD 4.41Å; F9-M13 HydrophobicContact CG-CG 4.47Å; F9-M13 HydrophobicContact CZ-CG 3.86Å; F9-M13 HydrophobicContact CZ-SD 4.07Å; F9-M13 VanDerWaalsContact O-CB 3.28Å; F9-M13 WeakPolarHBondContact O-CB 3.39Å; F9-M13 WeakPolarHBondContact O-CG 3.29Å; F9-M13 PolarHBondContact O-N 2.95Å; F9-I263 HydrophobicContact CD1-CD1 4.44Å; F9-I263 HydrophobicContact CE1-CG2 4.23Å
10V50.9Low43.9Very low15 Ų1597.2 Ų97.29%0.09147%0.466CS..Hα-helixtrans-67.2-41.3176.5173.10000111.3C6 E7 R8 E12 M13 A14 W79 I263C6-V10 WeakPolarHBondContact O-CG2 3.46Å; C6-V10 PolarHBondContact O-N 2.78Å; E7-V10 PolarHBondContact O-N 3.26Å; R8-V10 PolarHBondContact O-N 3.28Å; V10-E12 VanDerWaalsContact C-N 3.32Å; V10-E12 PolarHBondContact O-N 3Å; V10-M13 PolarHBondContact O-N 3.42Å; V10-A14 WeakPolarHBondContact O-CB 3.28Å; V10-A14 PolarHBondContact O-N 3.49Å; V10-W79 HydrophobicContact CG1-CG 4.42Å; V10-I263 HydrophobicContact CG2-CD1 3.71Å; V10-I263 HydrophobicContact CG2-CG1 4.41Å
11A50.9Low43.3Very low23 Ų2397.2 Ų97.219%0.1948%0.476CS..Hα-helixtrans-65.5-35.317600000112.4E7 R8 R15 W79E7-A11 VanDerWaalsContact O-CB 3.26Å; E7-A11 WeakPolarHBondContact O-CB 3.34Å; E7-A11 PolarHBondContact O-N 3.48Å; R8-A11 PolarHBondContact O-N 2.99Å; A11-R15 WeakPolarHBondContact O-CB 3.49Å; A11-R15 WeakPolarHBondContact O-CG 3.34Å; A11-R15 PolarHBondContact O-N 2.9Å; A11-W79 HydrophobicContact CB-CH2 3.98Å; A11-W79 HydrophobicContact CB-CZ3 4.23Å
12E48.5Very low43.2Very low115 Ų11593.7 Ų93.754%0.53747%0.471SS..Hα-helixtrans-74.5-41177.4-165.2161.7-15900111.3R8 F9 V10 A14 R15 L16R8-E12 WeakPolarHBondContact O-CB 3.43Å; R8-E12 PolarHBondContact O-N 3.21Å; F9-E12 PolarHBondContact O-N 3.12Å; V10-E12 VanDerWaalsContact C-N 3.32Å; V10-E12 PolarHBondContact O-N 3Å; E12-A14 VanDerWaalsContact C-N 3.29Å; E12-A14 PolarHBondContact O-N 2.86Å; E12-R15 PolarHBondContact O-N 2.75Å; E12-L16 HydrophobicContact CG-CD1 4.1Å; E12-L16 WeakPolarHBondContact O-CB 3.21Å; E12-L16 VanDerWaalsContact O-CG 3.32Å; E12-L16 WeakPolarHBondContact O-CG 3.04Å; E12-L16 PolarHBondContact O-N 2.86Å
13M48.1Very low42.8Very low77 Ų7798.2 Ų98.238%0.37950%0.495SS..Hα-helixtrans-63.9-29.8170.4-73.2-68.8-64.700113.1F9 V10 M18F9-M13 HydrophobicContact CD1-CG 4.16Å; F9-M13 HydrophobicContact CD2-CG 4.48Å; F9-M13 HydrophobicContact CE1-CG 3.84Å; F9-M13 HydrophobicContact CE2-CG 4.19Å; F9-M13 HydrophobicContact CE2-SD 4.41Å; F9-M13 HydrophobicContact CG-CG 4.47Å; F9-M13 HydrophobicContact CZ-CG 3.86Å; F9-M13 HydrophobicContact CZ-SD 4.07Å; F9-M13 VanDerWaalsContact O-CB 3.28Å; F9-M13 WeakPolarHBondContact O-CB 3.39Å; F9-M13 WeakPolarHBondContact O-CG 3.29Å; F9-M13 PolarHBondContact O-N 2.95Å; V10-M13 PolarHBondContact O-N 3.42Å; M13-M18 HydrophobicContact CE-CE 4.39Å; M13-M18 HydrophobicContact SD-CE 3.84Å
14A46.1Very low42.1Very low52 Ų5299.8 Ų99.843%0.4351%0.514SS..Hα-helixtrans-79.6-28.2174.600000112.9V10 E12 Y76V10-A14 WeakPolarHBondContact O-CB 3.28Å; V10-A14 PolarHBondContact O-N 3.49Å; E12-A14 VanDerWaalsContact C-N 3.29Å; E12-A14 PolarHBondContact O-N 2.86Å; A14-Y76 HydrophobicContact CB-CD2 3.93Å; A14-Y76 HydrophobicContact CB-CE2 4.46Å
15R43.2Very low41.3Very low219 Ų219106.2 Ų106.283%0.82654%0.542SS*.Hα-helixtrans-79-38.3175.6-82.4178.4174171.7-1.1112.5A11 E12 S17A11-R15 WeakPolarHBondContact O-CB 3.49Å; A11-R15 WeakPolarHBondContact O-CG 3.34Å; A11-R15 PolarHBondContact O-N 2.9Å; E12-R15 PolarHBondContact O-N 2.75Å; R15-S17 PolarHBondContact O-N 2.84Å
16L38.6Very low40.2Very low88 Ų88107.8 Ų107.846%0.46156%0.557SS.*SBendtrans-77.8103.1172.7-66.4167.4000107.1E12 M18E12-L16 HydrophobicContact CG-CD1 4.1Å; E12-L16 WeakPolarHBondContact O-CB 3.21Å; E12-L16 VanDerWaalsContact O-CG 3.32Å; E12-L16 WeakPolarHBondContact O-CG 3.04Å; E12-L16 PolarHBondContact O-N 2.86Å; L16-M18 HydrophobicContact CB-CE 4.31Å; L16-M18 HydrophobicContact CB-CG 4.24Å; L16-M18 HydrophobicContact CD1-CE 4.21Å; L16-M18 PolarHBondContact O-N 2.71Å
17S39.1Very low39.4Very low95 Ų95115.7 Ų115.766%0.66460%0.598SS**  trans-66.143.316864.90000112.4R15R15-S17 PolarHBondContact O-N 2.84Å
18M34.9Very low38.1Very low106 Ų106117.5 Ų117.552%0.52262%0.618SS.*  trans-64.7135.9165.2-71.7-171.7-52.200106.7M13 L16M13-M18 HydrophobicContact CE-CE 4.39Å; M13-M18 HydrophobicContact SD-CE 3.84Å; L16-M18 HydrophobicContact CB-CE 4.31Å; L16-M18 HydrophobicContact CB-CG 4.24Å; L16-M18 HydrophobicContact CD1-CE 4.21Å; L16-M18 PolarHBondContact O-N 2.71Å
19W41.8Very low36.7Very low217 Ų217115.4 Ų115.482%0.82263%0.629SS**  trans81.244.1-165.5-40.3100.7000115.2
20R33.8Very low35.3Very low224 Ų224121.6 Ų121.685%0.84566%0.661SS**SBendtrans-9998.7137.8-77.3-171.3177.2-169.60.7108.7
21S30.4Very low34Very low98 Ų98130.2 Ų130.269%0.68570%0.7SS**SBendtrans130.5140.7160.5-76.60000113.9V23S21-V23 PolarHBondContact O-N 3.01Å
22P32.3Very low32.8Very low128 Ų128138 Ų13883%0.83173%0.733SS**  trans-78.8116.9-177.131.5-29.6000109.6A24P22-A24 PolarHBondContact O-N 2.84Å
23V27.3Very low31.7Very low123 Ų123138.4 Ų138.475%0.74575%0.745SS**  trans-84.6110.6166.7178.90000107.1S21 L25S21-V23 PolarHBondContact O-N 3.01Å; V23-L25 PolarHBondContact O-N 3.26Å
24A26Very low30.6Very low90 Ų90142.7 Ų142.774%0.74477%0.768SS**PPolyproline II helixtrans-60.7127.8169.100000109.7P22P22-A24 PolarHBondContact O-N 2.84Å
25L27Very low29.7Very low160 Ų160144.8 Ų144.884%0.83879%0.786SS**PPolyproline II helixtrans-81.9145.5163-79.2160.1000108.7V23 L27V23-L25 PolarHBondContact O-N 3.26Å; L25-L27 PolarHBondContact O-N 3.03Å
26P24.6Very low28.9Very low119 Ų119139.9 Ų139.977%0.77379%0.785SS**PPolyproline II helixtrans-70.8126.7-175.4-7.423.1000110.9S28P26-S28 PolarHBondContact O-N 3.03Å
27L27.7Very low28.3Very low177 Ų177139.4 Ų139.493%0.92780%0.801SS**  trans-74.4111.2162.6-85.5145.6000108.7L25L25-L27 PolarHBondContact O-N 3.03Å
28S22.6Very low27.7Very low104 Ų104141.8 Ų141.873%0.72781%0.811SS**  trans-15197157.666.10000110P26P26-S28 PolarHBondContact O-N 3.03Å
29C23.6Very low27.1Very low136 Ų136148.1 Ų148.192%0.91983%0.829SS**  trans176.679.7142.5-90.50000105.6
30M23.3Very low26.4Very low187 Ų187143.6 Ų143.692%0.92183%0.831SS**  trans-77.9120.2162.4-77.4-179.3166.900107.3
31E25.1Very low26Very low197 Ų197138 Ų13892%0.92183%0.826SS**  trans-110.9128.4150.6-81.6-175.6158.300107
32E25.3Very low26Very low186 Ų186139.5 Ų139.587%0.86984%0.837SS**  trans-69.6157-177.5-83.9-171.2157.300113.2
33P25.8Very low25.7Very low124 Ų124138.3 Ų138.381%0.80583%0.831SS**  trans-87.8133.1-173.933.9-30.5000112.3
34I25.2Very low25.9Very low166 Ų166141.1 Ų141.185%0.85184%0.839SS**  trans-83.9115.3162.4-62.7175.2000108.3
35A25.4Very low26.2Very low97 Ų97142.4 Ų142.480%0.80284%0.839SS**  trans-67.6129.2172.300000111.3
36S26.3Very low26.4Very low115 Ų115139.6 Ų139.680%0.80484%0.839SS**  trans-146.7124.3149.456.10000109
37G26.6Very low27.4Very low78 Ų78139.2 Ų139.280%0.80483%0.829SS**  trans-77.2141.2-171.300000112.9
38V26.1Very low28.1Very low146 Ų146140.6 Ų140.689%0.88582%0.822SS**  trans-140.2135.4157.3-177.80000108.7
39R24Very low29Very low238 Ų238143.7 Ų143.790%0.89883%0.825SS**  trans-58.3147.6-170.7-69.3171.4176.1179.4-2.4114S41R39-S41 PolarHBondContact O-N 3.02Å
40S26.5Very low30Very low122 Ų122141.5 Ų141.585%0.85382%0.817SS**  trans-59.4123.4169.955.90000112.9
41S24.5Very low30.9Very low107 Ų107139 Ų13975%0.74880%0.798SS**  trans-130107.3151.656.20000108.6R39 S43R39-S41 PolarHBondContact O-N 3.02Å; S41-S43 PolarHBondContact O-N 2.86Å
42S31.7Very low31.5Very low129 Ų129135.1 Ų135.190%0.90279%0.79SS**  trans-75.6103.9172.152.80000109.3
43S26.1Very low32.3Very low103 Ų103136.1 Ų136.172%0.7280%0.795SS**  trans-129.3114.3160.753.60000108.8S41S41-S43 PolarHBondContact O-N 2.86Å
44M29.7Very low33.1Very low183 Ų183134.3 Ų134.390%0.90179%0.785SS**  trans-62.2137.1166.4-74.9-167.9175.800108.6A46M44-A46 PolarHBondContact O-N 2.83Å
45P33.1Very low34.1Very low117 Ų117132.3 Ų132.376%0.7679%0.786SS**  trans-65.2135.6173.925.8-30000109.5I47P45-I47 PolarHBondContact O-N 2.76Å
46A32.2Very low36Very low101 Ų101129.9 Ų129.984%0.83576%0.763SS**  trans-61.3110.1-175.300000111.6M44 R48M44-A46 PolarHBondContact O-N 2.83Å; A46-R48 PolarHBondContact O-N 2.98Å
47I44.7Very low38.8Very low110 Ų110131.3 Ų131.356%0.56476%0.761SS**  trans-69.7117.8171.3-61.2173.8000107.8P45 Q49 I416P45-I47 PolarHBondContact O-N 2.76Å; I47-Q49 PolarHBondContact O-N 2.9Å; I47-Q49 VanDerWaalsContact O-N 3.12Å; I47-I416 HydrophobicContact CG2-CD1 3.5Å; I47-I416 HydrophobicContact CG2-CG1 4.32Å
48R43.4Very low42.1Very low206 Ų206130.6 Ų130.678%0.77774%0.74SS**  trans-73.4102.3176.8-76.2178.4172.7174.5-3.6110.2A46A46-R48 PolarHBondContact O-N 2.98Å
49Q41.2Very low45.5Very low169 Ų169127.8 Ų127.879%0.7971%0.714SS**  trans-77.6138.4167.7-96.8175.9-17.500111I47I47-Q49 PolarHBondContact O-N 2.9Å; I47-Q49 VanDerWaalsContact O-N 3.12Å
50A44.5Very low49Very low91 Ų91119.1 Ų119.175%0.75269%0.688SS**  trans-144.339177.300000112.9
51Y41.4Very low52.4Low133 Ų133115.3 Ų115.352%0.52266%0.656SS.*SBendtrans-127.5141.2166.1-70.7-77.6000109.2
52P38.9Very low55.8Low116 Ų116113.7 Ų113.775%0.75365%0.645SS**  trans-62.2144.3172.427.1-31.3000109.4S54P52-S54 PolarHBondContact O-N 2.97Å
53E40.8Very low58.9Low208 Ų208112.5 Ų112.597%0.97263%0.625SS**SBendtrans-45.395-175.5-69.3177.6155.600112.7
54S43.4Very low62.4Low86 Ų86107.7 Ų107.760%0.60159%0.591SS**  trans-113.4135.7142.2680000105.2P52 S56P52-S54 PolarHBondContact O-N 2.97Å; S54-S56 PolarHBondContact O-N 3.33Å
55S46.7Very low65.6Low123 Ų123101 Ų10186%0.8656%0.561SS**  trans-67.349.1-179.753.40000112.6I57S55-I57 PolarHBondContact O-N 3.36Å
56S63.9Low68.6Low47 Ų4796.4 Ų96.433%0.32954%0.536SS..  trans-75.4101.2174.168.50000108.4S54 V58 N419S54-S56 PolarHBondContact O-N 3.33Å; S56-V58 PolarHBondContact O-N 2.94Å; S56-V58 VanDerWaalsContact O-N 3.13Å; S56-N419 VanDerWaalsContact CB-ND2 3.28Å; S56-N419 WeakPolarHBondContact CB-ND2 3.44Å; S56-N419 PolarHBondContact OG-ND2 2.86Å; S56-N419 PolarHBondContact OG-OD1 3.36Å
57I86.4Confident71.6Confident145 Ų14595.2 Ų95.274%0.74452%0.515SS*.PPolyproline II helixtrans-47.2120.2168.7-62.7167.6000107.9S55 R59S55-I57 PolarHBondContact O-N 3.36Å; I57-R59 PolarHBondContact O-N 3.13Å
58V94.9Very high73.9Confident62 Ų6292.3 Ų92.338%0.37650%0.497SS..PPolyproline II helixtrans-66.2119174.2178.80000107.4S56 I416 H421S56-V58 PolarHBondContact O-N 2.94Å; S56-V58 VanDerWaalsContact O-N 3.13Å; V58-I416 HydrophobicContact CG1-CD1 4.03Å; V58-I416 HydrophobicContact CG1-CG1 4.21Å; V58-I416 HydrophobicContact CG2-CD1 3.89Å; V58-H421 HydrophobicContact CG1-CB 4.04Å
59R97.4Very high76.3Confident87 Ų8791.2 Ų91.233%0.32850%0.498SS..BIsolated β-bridgetrans-84.1146.4-177.6-68.7176.4-68.2-170.1-1.5110.9I57 E63 Q418 N419 Y420 H421I57-R59 PolarHBondContact O-N 3.13Å; R59-E63 HydrophobicContact CB-CB 4.3Å; R59-E63 WeakPolarHBondContact CB-OE2 3.48Å; R59-E63 WeakPolarHBondContact CD-OE2 3.32Å; R59-E63 WeakPolarHBondContact CG-OE2 3.48Å; R59-Q418 PolarHBondContact NH2-O 3.39Å; R59-Q418 VanDerWaalsContact NH2-O 3.14Å; R59-N419 PolarHBondContact N-O 2.77Å; R59-Y420 HydrophobicContact CB-CD1 3.5Å; R59-Y420 VanDerWaalsContact CB-CD1 3.5Å; R59-Y420 HydrophobicContact CB-CE1 3.65Å; R59-Y420 HydrophobicContact CB-CG 4.44Å; R59-Y420 HydrophobicContact CG-CE1 4.35Å; R59-Y420 VanDerWaalsContact NE-CE1 3.33Å; R59-Y420 PolarHBondContact NH1-OH 3Å; R59-Y420 VanDerWaalsContact NH2-CZ 3.26Å; R59-Y420 PolarHBondContact NH2-OH 3.39Å; R59-Y420 WeakPolarHBondContact O-CA 3.39Å; R59-H421 PolarHBondContact O-N 3.29Å
60P97.4Very high78.7Confident56 Ų5687 Ų8736%0.36448%0.481SS..PPolyproline II helixtrans-68.8159.817829.6-36.5000112.6S62 E63P60-S62 PolarHBondContact O-N 3.31Å; P60-S62 VanDerWaalsContact O-N 3.11Å; P60-E63 VanDerWaalsContact CD-CD 3.48Å; P60-E63 VanDerWaalsContact CD-OE1 3.29Å; P60-E63 WeakPolarHBondContact CD-OE1 3.35Å; P60-E63 HydrophobicContact CG-CB 4.29Å; P60-E63 HydrophobicContact CG-CG 3.81Å; P60-E63 VanDerWaalsContact CG-OE1 3.31Å; P60-E63 WeakPolarHBondContact CG-OE1 3.49Å; P60-E63 PolarHBondContact O-N 2.97Å
61F97.6Very high80.9Confident42 Ų4283.1 Ų83.118%0.18445%0.449CS..G310 helixtrans-56.6-26.6178.1-176-120.8000114.5E63 I64 R103 V112 H421 I422 P423 T426F61-E63 VanDerWaalsContact C-N 3.3Å; F61-I64 HydrophobicContact CD2-CD1 3.58Å; F61-I64 HydrophobicContact CE2-CD1 3.92Å; F61-R103 VanDerWaalsContact CE1-NH2 3.34Å; F61-R103 PolarHBondContact O-NH1 2.94Å; F61-V112 HydrophobicContact CE2-CG2 3.63Å; F61-V112 HydrophobicContact CZ-CG2 4.32Å; F61-H421 WeakPolarHBondContact CA-O 3.1Å; F61-H421 WeakPolarHBondContact CB-O 3.27Å; F61-I422 HydrophobicContact CD2-CG2 4.5Å; F61-I422 HydrophobicContact CE2-CG2 4.25Å; F61-P423 HydrophobicContact CD1-CG 4.26Å; F61-P423 HydrophobicContact CD2-CG 4.45Å; F61-P423 HydrophobicContact CE1-CG 4.46Å; F61-P423 HydrophobicContact CG-CG 4.26Å; F61-T426 HydrophobicContact CE2-CG2 4.12Å; F61-T426 HydrophobicContact CZ-CG2 4.13Å
62S96.8Very high83.1Confident73 Ų7381.6 Ų81.651%0.5145%0.454SS..G310 helixtrans-73.9-16.4176.3510000113.8P60 W68P60-S62 PolarHBondContact O-N 3.31Å; P60-S62 VanDerWaalsContact O-N 3.11Å; S62-W68 VanDerWaalsContact O-CZ2 3.25Å; S62-W68 WeakPolarHBondContact O-CZ2 3.45Å
63E97.3Very high85.6Confident105 Ų10579.5 Ų79.549%0.49144%0.438SS..G310 helixtrans-91.3-5.6178.8-76.4178.7-147.500113.2R59 P60 F61 Y420R59-E63 HydrophobicContact CB-CB 4.3Å; R59-E63 WeakPolarHBondContact CB-OE2 3.48Å; R59-E63 WeakPolarHBondContact CD-OE2 3.32Å; R59-E63 WeakPolarHBondContact CG-OE2 3.48Å; P60-E63 VanDerWaalsContact CD-CD 3.48Å; P60-E63 VanDerWaalsContact CD-OE1 3.29Å; P60-E63 WeakPolarHBondContact CD-OE1 3.35Å; P60-E63 HydrophobicContact CG-CB 4.29Å; P60-E63 HydrophobicContact CG-CG 3.81Å; P60-E63 VanDerWaalsContact CG-OE1 3.31Å; P60-E63 WeakPolarHBondContact CG-OE1 3.49Å; P60-E63 PolarHBondContact O-N 2.97Å; F61-E63 VanDerWaalsContact C-N 3.3Å; E63-Y420 VanDerWaalsContact C-CE1 3.45Å; E63-Y420 HydrophobicContact CB-CD1 4.39Å; E63-Y420 HydrophobicContact CB-CE1 3.83Å; E63-Y420 WeakPolarHBondContact O-CE1 3.49Å; E63-Y420 PolarHBondContact O-OH 2.61Å
64I98.1Very high88Confident1 Ų170.6 Ų70.61%0.00540%0.397CS..SBendtrans-60.4124.1174.9-58.7178.1000108.6F61 W68 I101 R103 V112 Y420 I422F61-I64 HydrophobicContact CD2-CD1 3.58Å; F61-I64 HydrophobicContact CE2-CD1 3.92Å; I64-W68 PolarHBondContact O-NE1 3.1Å; I64-W68 VanDerWaalsContact O-NE1 3.1Å; I64-I101 HydrophobicContact CD1-CD1 4.46Å; I64-I101 HydrophobicContact CG2-CD1 4.48Å; I64-I101 HydrophobicContact CG2-CG1 4.17Å; I64-R103 HydrophobicContact CB-CB 4.08Å; I64-R103 HydrophobicContact CG2-CB 3.67Å; I64-V112 HydrophobicContact CD1-CG2 4.05Å; I64-Y420 HydrophobicContact CD1-CG 4.41Å; I64-Y420 HydrophobicContact CG1-CD1 3.63Å; I64-Y420 HydrophobicContact CG1-CD2 4.19Å; I64-Y420 HydrophobicContact CG1-CE1 4.22Å; I64-Y420 HydrophobicContact CG1-CG 3.61Å; I64-I422 HydrophobicContact CD1-CG1 4.19Å
65P98Very high90.2Very high42 Ų4267.9 Ų67.927%0.27338%0.376SS..  trans-66.3155.1-178.429.1-36.4000110.5F98 I101 Y102 R103 Y420P65-F98 HydrophobicContact CB-CB 4.21Å; P65-F98 HydrophobicContact CB-CD1 4.14Å; P65-F98 HydrophobicContact CG-CB 4.27Å; P65-I101 WeakPolarHBondContact CG-O 2.99Å; P65-Y102 CarbonylContact O-C 3.48Å; P65-Y102 WeakPolarHBondContact O-CA 3.24Å; P65-Y102 WeakPolarHBondContact O-CB 3.49Å; P65-R103 PolarHBondContact O-N 3.05Å; P65-Y420 WeakPolarHBondContact CD-OH 3.15Å
66G96.5Very high92.2Very high21 Ų2166.7 Ų66.722%0.21635%0.353CS..SBendtrans133.3-172172.100000114.3W68 R103G66-W68 PolarHBondContact O-N 3.26Å; G66-R103 CarbonylContact C-O 3.49Å; G66-R103 VanDerWaalsContact C-O 3.3Å; G66-R103 VanDerWaalsContact CA-O 3.28Å; G66-R103 WeakPolarHBondContact CA-O 3.36Å
67L94.3Very high93.4Very high76 Ų7667.9 Ų67.940%0.39836%0.356SS..SBendtrans-100.279.8-171.6-58.6177.4000110.3N74 F98 R103 E104 K105L67-N74 VanDerWaalsContact C-ND2 3.31Å; L67-N74 PolarHBondContact O-ND2 3.11Å; L67-F98 HydrophobicContact CD2-CZ 4.07Å; L67-F98 HydrophobicContact CG-CE2 4.13Å; L67-F98 HydrophobicContact CG-CZ 3.88Å; L67-R103 PolarHBondContact N-O 3.25Å; L67-E104 CarbonylContact O-C 3.51Å; L67-E104 WeakPolarHBondContact O-CA 3.33Å; L67-K105 PolarHBondContact O-N 3.13Å
68W94Very high93.5Very high50 Ų5061.3 Ų61.319%0.18932%0.322CS..  trans-126.7-12.9-176.660.4-95.4000115.7S62 I64 G66 N70 R103 K105S62-W68 VanDerWaalsContact O-CZ2 3.25Å; S62-W68 WeakPolarHBondContact O-CZ2 3.45Å; I64-W68 PolarHBondContact O-NE1 3.1Å; I64-W68 VanDerWaalsContact O-NE1 3.1Å; G66-W68 PolarHBondContact O-N 3.26Å; W68-N70 PolarHBondContact O-N 3.01Å; W68-R103 HydrophobicContact CB-CB 4.42Å; W68-R103 HydrophobicContact CB-CG 3.76Å; W68-R103 HydrophobicContact CG-CB 4.17Å; W68-R103 HydrophobicContact CG-CG 3.77Å; W68-K105 HydrophobicContact CB-CB 4.07Å; W68-K105 WeakPolarHBondContact O-CB 3.4Å; W68-K105 WeakPolarHBondContact O-CD 3.35Å
69K92.3Very high93.2Very high183 Ų18361 Ų6180%0.79631%0.314SS*.SBendtrans-68.9-34.4-176-64.9-176.1-179.4-179.90114
70N92.1Very high92.8Very high81 Ų8164.1 Ų64.143%0.43333%0.33SS..  trans-133.588.2-177.6-168.8-29.1000111.7W68 V72 V73 N74W68-N70 PolarHBondContact O-N 3.01Å; N70-V72 VanDerWaalsContact C-N 3.27Å; N70-V72 PolarHBondContact O-N 2.9Å; N70-V72 PolarHBondContact OD1-N 3.04Å; N70-V73 HydrophobicContact CB-CB 4.25Å; N70-V73 HydrophobicContact CB-CG2 4.48Å; N70-V73 VanDerWaalsContact ND2-CG2 3.34Å; N70-V73 WeakPolarHBondContact ND2-CG2 3.46Å; N70-V73 PolarHBondContact O-N 3.41Å; N70-V73 PolarHBondContact OD1-N 3.16Å; N70-V73 VanDerWaalsContact OD1-N 3.12Å; N70-N74 WeakPolarHBondContact O-CB 3.32Å; N70-N74 PolarHBondContact O-N 3.24Å; N70-N74 PolarHBondContact O-ND2 3.38Å; N70-N74 VanDerWaalsContact O-ND2 3.15Å; N70-N74 PolarHBondContact O-OD1 2.89Å
71G89.8Confident92.3Very high9 Ų966.6 Ų66.69%0.09334%0.34CS..Hα-helixtrans-60.2-31.3-176.300000114.7L75 K105 G107G71-L75 WeakPolarHBondContact O-CB 3.49Å; G71-L75 PolarHBondContact O-N 3.12Å; G71-K105 WeakPolarHBondContact CA-O 3.45Å; G71-G107 PolarHBondContact O-N 3.14Å
72V89Confident91.9Very high101 Ų10167.7 Ų67.761%0.61235%0.347SS*.Hα-helixtrans-74.6-46.7-178.7179.30000111N70 N74 L75 Y76N70-V72 VanDerWaalsContact C-N 3.27Å; N70-V72 PolarHBondContact O-N 2.9Å; N70-V72 PolarHBondContact OD1-N 3.04Å; V72-N74 VanDerWaalsContact C-N 3.26Å; V72-N74 PolarHBondContact O-N 3.45Å; V72-L75 PolarHBondContact O-N 2.73Å; V72-Y76 PolarHBondContact O-N 3.44Å
73V91.8Very high91.3Very high71 Ų7164.2 Ų64.243%0.4332%0.323SS..Hα-helixtrans-61.9-39.9174.7171.90000110.3N70 Y76 N77N70-V73 HydrophobicContact CB-CB 4.25Å; N70-V73 HydrophobicContact CB-CG2 4.48Å; N70-V73 VanDerWaalsContact ND2-CG2 3.34Å; N70-V73 WeakPolarHBondContact ND2-CG2 3.46Å; N70-V73 PolarHBondContact O-N 3.41Å; N70-V73 PolarHBondContact OD1-N 3.16Å; N70-V73 VanDerWaalsContact OD1-N 3.12Å; V73-Y76 PolarHBondContact O-N 2.71Å; V73-N77 WeakPolarHBondContact O-CB 3.47Å; V73-N77 PolarHBondContact O-N 3.18Å; V73-N77 PolarHBondContact O-ND2 2.88Å
74N91.1Very high90.7Very high21 Ų2160.2 Ų60.211%0.11230%0.304CS..Hα-helixtrans-63.3-40.8175.2-66.6-19.1000112.3L67 N70 V72 N77 F78 K105L67-N74 VanDerWaalsContact C-ND2 3.31Å; L67-N74 PolarHBondContact O-ND2 3.11Å; N70-N74 WeakPolarHBondContact O-CB 3.32Å; N70-N74 PolarHBondContact O-N 3.24Å; N70-N74 PolarHBondContact O-ND2 3.38Å; N70-N74 VanDerWaalsContact O-ND2 3.15Å; N70-N74 PolarHBondContact O-OD1 2.89Å; V72-N74 VanDerWaalsContact C-N 3.26Å; V72-N74 PolarHBondContact O-N 3.45Å; N74-N77 PolarHBondContact O-N 2.81Å; N74-F78 WeakPolarHBondContact O-CB 3.22Å; N74-F78 PolarHBondContact O-N 2.93Å; N74-K105 WeakPolarHBondContact CB-O 3.27Å; N74-K105 PolarHBondContact ND2-O 3.37Å
75L89.1Confident90.3Very high29 Ų2965.4 Ų65.415%0.15232%0.324CS..Hα-helixtrans-62.8-42.5174.6179.562.4000111.9G71 V72 F78 W79 I106 Y262G71-L75 WeakPolarHBondContact O-CB 3.49Å; G71-L75 PolarHBondContact O-N 3.12Å; V72-L75 PolarHBondContact O-N 2.73Å; L75-F78 PolarHBondContact O-N 3.47Å; L75-W79 WeakPolarHBondContact O-CB 3.32Å; L75-W79 PolarHBondContact O-N 3.28Å; L75-I106 HydrophobicContact CB-CG2 4.2Å; L75-I106 HydrophobicContact CD1-CG2 3.66Å; L75-Y262 HydrophobicContact CD1-CD1 4.33Å; L75-Y262 HydrophobicContact CD1-CG 4.37Å
76Y88.9Confident90.1Very high99 Ų9965 Ų6539%0.38832%0.319SS..Hα-helixtrans-61.9-45.7175.2175.5-96.9000111.9A14 V72 V73 W79 K80A14-Y76 HydrophobicContact CB-CD2 3.93Å; A14-Y76 HydrophobicContact CB-CE2 4.46Å; V72-Y76 PolarHBondContact O-N 3.44Å; V73-Y76 PolarHBondContact O-N 2.71Å; Y76-W79 HydrophobicContact CD2-CE3 4.21Å; Y76-W79 HydrophobicContact CE2-CE3 4.14Å; Y76-W79 HydrophobicContact CE2-CZ3 4.03Å; Y76-W79 PolarHBondContact O-N 2.94Å; Y76-K80 PolarHBondContact O-N 3.41Å
77N89.3Confident89.9Confident71 Ų7165.3 Ų65.338%0.3832%0.316SS..Hα-helixtrans-64.8-42.8176.7-72.5-25.1000111.8V73 N74 W79 K80 L81V73-N77 WeakPolarHBondContact O-CB 3.47Å; V73-N77 PolarHBondContact O-N 3.18Å; V73-N77 PolarHBondContact O-ND2 2.88Å; N74-N77 PolarHBondContact O-N 2.81Å; N77-W79 VanDerWaalsContact C-N 3.28Å; N77-W79 PolarHBondContact O-N 2.84Å; N77-K80 PolarHBondContact O-N 2.6Å; N77-L81 WeakPolarHBondContact O-CG 3.44Å; N77-L81 PolarHBondContact O-N 3.07Å
78F88.4Confident90Very high8 Ų861.7 Ų61.74%0.03530%0.297CS..Hα-helixtrans-57.5-44175-178.6-99.1000110.9N74 L75 L81 G83 F84 L87 I90 I106 Y262N74-F78 WeakPolarHBondContact O-CB 3.22Å; N74-F78 PolarHBondContact O-N 2.93Å; L75-F78 PolarHBondContact O-N 3.47Å; F78-L81 PolarHBondContact O-N 3.34Å; F78-G83 WeakPolarHBondContact CZ-O 3.36Å; F78-G83 VanDerWaalsContact O-CA 3.26Å; F78-G83 WeakPolarHBondContact O-CA 3.28Å; F78-G83 PolarHBondContact O-N 3.34Å; F78-F84 HydrophobicContact CE1-CD1 4.3Å; F78-F84 HydrophobicContact CE1-CG 4.3Å; F78-L87 HydrophobicContact CE2-CD1 3.84Å; F78-L87 HydrophobicContact CZ-CB 4.49Å; F78-L87 HydrophobicContact CZ-CD1 4.01Å; F78-I90 HydrophobicContact CD2-CD1 3.71Å; F78-I90 HydrophobicContact CE2-CD1 3.73Å; F78-I106 HydrophobicContact CB-CG2 4.28Å; F78-I106 HydrophobicContact CD1-CG2 4.27Å; F78-I106 HydrophobicContact CD2-CD1 3.78Å; F78-I106 HydrophobicContact CE2-CD1 4.04Å; F78-I106 HydrophobicContact CG-CD1 4.22Å; F78-I106 HydrophobicContact CG-CG2 4.21Å; F78-Y262 HydrophobicContact CE1-CE1 4.17Å; F78-Y262 AromaticContact CE1-CE2 3.93Å; F78-Y262 HydrophobicContact CE1-CE2 3.93Å; F78-Y262 AromaticContact CE1-CZ 3.66Å; F78-Y262 HydrophobicContact CZ-CE1 4.45Å; F78-Y262 HydrophobicContact CZ-CE2 4.36Å; F78-Y262 AromaticContact CZ-CZ 3.8Å; F78-Y262 VanDerWaalsContact CZ-OH 3.31Å; F78-Y262 WeakPolarHBondContact CZ-OH 3.48Å
79W87.3Confident90.1Very high56 Ų5663.9 Ų63.921%0.21231%0.305CS..Hα-helixtrans-63.2-47.9174.3173.660.1000112.5E7 V10 A11 L75 Y76 N77 L81 N82 F84E7-W79 HydrophobicContact CB-CZ2 3.81Å; E7-W79 HydrophobicContact CG-CZ2 4.32Å; V10-W79 HydrophobicContact CG1-CG 4.42Å; A11-W79 HydrophobicContact CB-CH2 3.98Å; A11-W79 HydrophobicContact CB-CZ3 4.23Å; L75-W79 WeakPolarHBondContact O-CB 3.32Å; L75-W79 PolarHBondContact O-N 3.28Å; Y76-W79 HydrophobicContact CD2-CE3 4.21Å; Y76-W79 HydrophobicContact CE2-CE3 4.14Å; Y76-W79 HydrophobicContact CE2-CZ3 4.03Å; Y76-W79 PolarHBondContact O-N 2.94Å; N77-W79 VanDerWaalsContact C-N 3.28Å; N77-W79 PolarHBondContact O-N 2.84Å; W79-L81 PolarHBondContact O-N 3.31Å; W79-N82 WeakPolarHBondContact O-CA 3.28Å; W79-N82 PolarHBondContact O-N 3.31Å; W79-F84 HydrophobicContact CB-CE2 4.18Å; W79-F84 AromaticContact CD1-CE2 3.76Å; W79-F84 HydrophobicContact CG-CE2 4.35Å
80K88.7Confident90.3Very high152 Ų15255.9 Ų55.966%0.66127%0.271SS*.Hα-helixtrans-57.8-31.7178.4-175.5178.3177.8-177.50112.8Y76 N77 N82Y76-K80 PolarHBondContact O-N 3.41Å; N77-K80 PolarHBondContact O-N 2.6Å; K80-N82 PolarHBondContact O-N 2.88Å
81L88.4Confident90.5Very high107 Ų10752.3 Ų52.356%0.5625%0.251SS*.THydrogen-bonded Turntrans-84.611.5176-64.7174.2000113.6N77 F78 W79 G83 I90N77-L81 WeakPolarHBondContact O-CG 3.44Å; N77-L81 PolarHBondContact O-N 3.07Å; F78-L81 PolarHBondContact O-N 3.34Å; W79-L81 PolarHBondContact O-N 3.31Å; L81-G83 PolarHBondContact O-N 2.9Å; L81-I90 HydrophobicContact CB-CD1 4.25Å
82N88.6Confident90.9Very high65 Ų6553.8 Ų53.835%0.34826%0.257SS..THydrogen-bonded Turntrans53.241.8-174-171.322.7000111.5W79 K80 F84 R85 N86W79-N82 WeakPolarHBondContact O-CA 3.28Å; W79-N82 PolarHBondContact O-N 3.31Å; K80-N82 PolarHBondContact O-N 2.88Å; N82-F84 VanDerWaalsContact C-N 3.27Å; N82-F84 PolarHBondContact O-N 2.92Å; N82-R85 PolarHBondContact O-N 2.91Å; N82-N86 PolarHBondContact ND2-ND2 3.18Å; N82-N86 PolarHBondContact O-N 3.09Å; N82-N86 PolarHBondContact O-ND2 2.84Å
83G83.9Confident91.3Very high0 Ų054.5 Ų54.50%025%0.254CS..Hα-helixtrans-64.7-28.4-170.800000114F78 L81 R85 N86 L87 I90F78-G83 WeakPolarHBondContact CZ-O 3.36Å; F78-G83 VanDerWaalsContact O-CA 3.26Å; F78-G83 WeakPolarHBondContact O-CA 3.28Å; F78-G83 PolarHBondContact O-N 3.34Å; L81-G83 PolarHBondContact O-N 2.9Å; G83-R85 PolarHBondContact O-N 3.2Å; G83-N86 PolarHBondContact O-N 3.41Å; G83-N86 VanDerWaalsContact O-N 3.15Å; G83-L87 PolarHBondContact O-N 2.73Å; G83-I90 VanDerWaalsContact CA-CD1 3.4Å
84F84.5Confident91.5Very high21 Ų2151.8 Ų51.89%0.09224%0.237CC..Hα-helixtrans-59.7-19.3172.9-62.2-81.1000113.6F78 W79 N82 S258 Y262 F508F78-F84 HydrophobicContact CE1-CD1 4.3Å; F78-F84 HydrophobicContact CE1-CG 4.3Å; W79-F84 HydrophobicContact CB-CE2 4.18Å; W79-F84 AromaticContact CD1-CE2 3.76Å; W79-F84 HydrophobicContact CG-CE2 4.35Å; N82-F84 VanDerWaalsContact C-N 3.27Å; N82-F84 PolarHBondContact O-N 2.92Å; F84-S258 PolarHBondContact O-OG 3.42Å; F84-Y262 AromaticContact CD1-CD2 3.73Å; F84-Y262 HydrophobicContact CD1-CD2 3.73Å; F84-Y262 AromaticContact CD1-CE2 3.81Å; F84-Y262 HydrophobicContact CD1-CE2 3.81Å; F84-Y262 AromaticContact CE1-CD2 3.24Å; F84-Y262 HydrophobicContact CE1-CD2 3.24Å; F84-Y262 AromaticContact CE1-CE2 3.79Å; F84-Y262 HydrophobicContact CE1-CE2 3.79Å; F84-Y262 AromaticContact CE1-CG 3.95Å; F84-Y262 HydrophobicContact CE1-CG 3.95Å; F84-Y262 HydrophobicContact CZ-CD2 4.23Å; F84-F508 WeakPolarHBondContact O-CD1 3.35Å
85R90.6Very high91.9Very high110 Ų11051.2 Ų51.242%0.41523%0.234SC..Hα-helixtrans-111.9-18.9174.6-70.2-179.4164.1-175.7-7.4113.6N82 G83 F508 E509N82-R85 PolarHBondContact O-N 2.91Å; G83-R85 PolarHBondContact O-N 3.2Å; R85-F508 WeakPolarHBondContact CA-O 3.27Å; R85-F508 WeakPolarHBondContact O-CB 3.22Å; R85-F508 PolarHBondContact O-N 3.36Å; R85-E509 IonicContact NH2-OE1 2.83Å
86N92.9Very high92.3Very high33 Ų3355.9 Ų55.918%0.17626%0.259CS..Hα-helixtrans-116.818.5-173.6-67-78.4000113.8N82 G83 H88 R89 I90N82-N86 PolarHBondContact ND2-ND2 3.18Å; N82-N86 PolarHBondContact O-N 3.09Å; N82-N86 PolarHBondContact O-ND2 2.84Å; G83-N86 PolarHBondContact O-N 3.41Å; G83-N86 VanDerWaalsContact O-N 3.15Å; N86-H88 PolarHBondContact O-N 3.18Å; N86-H88 VanDerWaalsContact O-N 3.11Å; N86-R89 HydrophobicContact CB-CB 4.49Å; N86-R89 PolarHBondContact O-N 2.83Å; N86-R89 PolarHBondContact OD1-NH1 2.98Å; N86-I90 PolarHBondContact O-N 2.7Å
87L93.8Very high92.7Very high28 Ų2855.5 Ų55.515%0.14727%0.267CS..Hα-helixtrans-47.7-44.2-178.9177.863.5000112.9F78 G83 R89 I90 M91 V405 F508F78-L87 HydrophobicContact CE2-CD1 3.84Å; F78-L87 HydrophobicContact CZ-CB 4.49Å; F78-L87 HydrophobicContact CZ-CD1 4.01Å; G83-L87 PolarHBondContact O-N 2.73Å; L87-R89 PolarHBondContact O-N 3.06Å; L87-I90 PolarHBondContact O-N 2.99Å; L87-M91 VanDerWaalsContact O-CB 3.32Å; L87-M91 WeakPolarHBondContact O-CB 3.43Å; L87-M91 PolarHBondContact O-N 3.04Å; L87-V405 HydrophobicContact CG-CG1 4.41Å; L87-F508 HydrophobicContact CB-CB 4.4Å; L87-F508 HydrophobicContact CB-CD1 3.82Å; L87-F508 HydrophobicContact CB-CE1 4.23Å; L87-F508 HydrophobicContact CB-CG 4.05Å; L87-F508 HydrophobicContact CD2-CD1 4.08Å; L87-F508 HydrophobicContact CD2-CD2 4.48Å; L87-F508 HydrophobicContact CD2-CE1 3.64Å; L87-F508 HydrophobicContact CD2-CE2 4.04Å; L87-F508 HydrophobicContact CD2-CG 4.49Å; L87-F508 HydrophobicContact CD2-CZ 3.6Å
88H96.1Very high93.1Very high0 Ų054.9 Ų54.90%026%0.261CS..Hα-helixtrans-63.6-37.7179.959.7-81.5000113.5N86 L92 V405 Y433 S506 L512N86-H88 PolarHBondContact O-N 3.18Å; N86-H88 VanDerWaalsContact O-N 3.11Å; H88-L92 WeakPolarHBondContact O-CB 3.36Å; H88-L92 PolarHBondContact O-N 2.96Å; H88-L92 VanDerWaalsContact O-N 3.09Å; H88-V405 HydrophobicContact CB-CG1 3.88Å; H88-V405 HydrophobicContact CB-CG2 4.08Å; H88-Y433 HydrophobicContact CB-CD1 3.83Å; H88-Y433 HydrophobicContact CB-CD2 4.1Å; H88-Y433 HydrophobicContact CB-CE1 4.27Å; H88-Y433 HydrophobicContact CB-CE2 4.48Å; H88-Y433 HydrophobicContact CB-CG 3.75Å; H88-Y433 AromaticContact CD2-CE1 3.7Å; H88-Y433 AromaticContact CD2-CE2 3.72Å; H88-Y433 AromaticContact CD2-CZ 3.46Å; H88-Y433 VanDerWaalsContact CD2-CZ 3.46Å; H88-S506 PolarHBondContact CE1-O 3.13Å; H88-S506 PolarHBondContact NE2-O 2.91Å; H88-L512 HydrophobicContact CB-CD1 4.19Å; H88-L512 HydrophobicContact CB-CD2 3.95Å; H88-L512 VanDerWaalsContact ND1-CD2 3.33Å; H88-L512 WeakPolarHBondContact ND1-CD2 3.37Å
89R96.4Very high93.5Very high97 Ų9755.7 Ų55.737%0.36627%0.272SS..Hα-helixtrans-73.7-41.4175.4-78.6167.6176.4177.2-5.5111.8N86 L87 M91 L92 Q93 Q505N86-R89 HydrophobicContact CB-CB 4.49Å; N86-R89 PolarHBondContact O-N 2.83Å; N86-R89 PolarHBondContact OD1-NH1 2.98Å; L87-R89 PolarHBondContact O-N 3.06Å; R89-M91 VanDerWaalsContact C-N 3.32Å; R89-M91 PolarHBondContact O-N 3.06Å; R89-L92 PolarHBondContact O-N 2.78Å; R89-Q93 WeakPolarHBondContact O-CB 3.48Å; R89-Q93 PolarHBondContact O-N 3.01Å; R89-Q505 VanDerWaalsContact NH2-CB 3.33Å
90I95.7Very high94Very high15 Ų1555.2 Ų55.28%0.07728%0.275CS..Hα-helixtrans-60.7-45.5175-66.9173.1000109.8F78 L81 G83 N86 L87 L92 Q93 N94F78-I90 HydrophobicContact CD2-CD1 3.71Å; F78-I90 HydrophobicContact CE2-CD1 3.73Å; L81-I90 HydrophobicContact CB-CD1 4.25Å; G83-I90 VanDerWaalsContact CA-CD1 3.4Å; N86-I90 PolarHBondContact O-N 2.7Å; L87-I90 PolarHBondContact O-N 2.99Å; I90-L92 PolarHBondContact O-N 2.95Å; I90-Q93 PolarHBondContact O-N 3.42Å; I90-N94 WeakPolarHBondContact O-CB 3.42Å; I90-N94 VanDerWaalsContact O-CG 3.3Å; I90-N94 PolarHBondContact O-N 3.31Å
91M96.9Very high94.4Very high5 Ų548.2 Ų48.23%0.02525%0.245CC..Hα-helixtrans-60.4-45.7176.6-168.3-178.3-158.600111.7L87 R89 N94 F95 Y102 N113 V405 Q429 G431L87-M91 VanDerWaalsContact O-CB 3.32Å; L87-M91 WeakPolarHBondContact O-CB 3.43Å; L87-M91 PolarHBondContact O-N 3.04Å; R89-M91 VanDerWaalsContact C-N 3.32Å; R89-M91 PolarHBondContact O-N 3.06Å; M91-N94 PolarHBondContact O-N 3.25Å; M91-F95 HydrophobicContact CE-CE2 3.77Å; M91-F95 HydrophobicContact CE-CZ 3.95Å; M91-F95 HydrophobicContact CG-CD2 4.11Å; M91-F95 HydrophobicContact CG-CE2 3.64Å; M91-F95 WeakPolarHBondContact O-CD2 3.47Å; M91-F95 PolarHBondContact O-N 2.82Å; M91-F95 HydrophobicContact SD-CE2 4.16Å; M91-Y102 WeakPolarHBondContact CG-OH 3.46Å; M91-N113 HydrophobicContact CE-CB 4.08Å; M91-N113 WeakPolarHBondContact CE-OD1 3.37Å; M91-V405 HydrophobicContact SD-CG1 4.12Å; M91-Q429 HydrophobicContact CE-CB 4.35Å; M91-G431 VanDerWaalsContact SD-CA 3.57Å
92L97.4Very high94.9Very high40 Ų4043.1 Ų43.121%0.20922%0.219CC..Hα-helixtrans-59.8-45.4174.7175.260000111.9H88 R89 I90 N94 F95 N96 Y433 A434H88-L92 WeakPolarHBondContact O-CB 3.36Å; H88-L92 PolarHBondContact O-N 2.96Å; H88-L92 VanDerWaalsContact O-N 3.09Å; R89-L92 PolarHBondContact O-N 2.78Å; I90-L92 PolarHBondContact O-N 2.95Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-N94 PolarHBondContact O-N 3.33Å; L92-F95 PolarHBondContact O-N 2.95Å; L92-N96 PolarHBondContact O-N 3.16Å; L92-N96 PolarHBondContact O-ND2 2.96Å; L92-Y433 HydrophobicContact CD2-CE1 4.22Å; L92-A434 HydrophobicContact CB-CB 4.23Å; L92-A434 HydrophobicContact CD1-CB 4.01Å
93Q97.1Very high95.4Very high117 Ų11741.3 Ų41.355%0.54721%0.207SC..Hα-helixtrans-63.1-39.1177.2-175.4176.7200112R89 I90 N96 T97R89-Q93 WeakPolarHBondContact O-CB 3.48Å; R89-Q93 PolarHBondContact O-N 3.01Å; I90-Q93 PolarHBondContact O-N 3.42Å; Q93-N96 PolarHBondContact O-N 2.9Å; Q93-T97 WeakPolarHBondContact O-CB 3.47Å; Q93-T97 PolarHBondContact O-N 3.33Å; Q93-T97 PolarHBondContact O-OG1 3.45Å
94N97.4Very high96Very high14 Ų1442 Ų428%0.07521%0.21CC..Hα-helixtrans-63.2-42.4175.8-76.7-15.3000111.5I90 M91 L92 N96 T97 F98 Y102 E104I90-N94 WeakPolarHBondContact O-CB 3.42Å; I90-N94 VanDerWaalsContact O-CG 3.3Å; I90-N94 PolarHBondContact O-N 3.31Å; M91-N94 PolarHBondContact O-N 3.25Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-N94 PolarHBondContact O-N 3.33Å; N94-N96 VanDerWaalsContact C-N 3.34Å; N94-N96 PolarHBondContact O-N 2.83Å; N94-T97 PolarHBondContact O-N 3.34Å; N94-T97 VanDerWaalsContact O-N 3.17Å; N94-F98 HydrophobicContact CB-CD2 4.13Å; N94-F98 HydrophobicContact CB-CE2 4.39Å; N94-F98 WeakPolarHBondContact O-CB 3.38Å; N94-F98 WeakPolarHBondContact O-CD2 3.31Å; N94-F98 PolarHBondContact O-N 3.29Å; N94-Y102 HydrophobicContact CB-CD1 4.1Å; N94-Y102 HydrophobicContact CB-CD2 4.23Å; N94-Y102 HydrophobicContact CB-CE1 3.62Å; N94-Y102 HydrophobicContact CB-CE2 3.78Å; N94-Y102 HydrophobicContact CB-CG 4.39Å; N94-Y102 VanDerWaalsContact CB-CZ 3.47Å; N94-E104 PolarHBondContact ND2-OE1 3.37Å
95F98.2Very high96.5Very high9 Ų944.1 Ų44.14%0.03922%0.219CC..Hα-helixtrans-63.9-38.4173.4-74.2-60.7000112.7M91 L92 T97 G99 Y102 N113 I114 I115 A434M91-F95 HydrophobicContact CE-CE2 3.77Å; M91-F95 HydrophobicContact CE-CZ 3.95Å; M91-F95 HydrophobicContact CG-CD2 4.11Å; M91-F95 HydrophobicContact CG-CE2 3.64Å; M91-F95 WeakPolarHBondContact O-CD2 3.47Å; M91-F95 PolarHBondContact O-N 2.82Å; M91-F95 HydrophobicContact SD-CE2 4.16Å; L92-F95 PolarHBondContact O-N 2.95Å; F95-T97 PolarHBondContact O-N 2.9Å; F95-G99 WeakPolarHBondContact CD1-O 3.18Å; F95-G99 CarbonylContact O-C 3.56Å; F95-G99 VanDerWaalsContact O-CA 3.28Å; F95-G99 WeakPolarHBondContact O-CA 3.42Å; F95-G99 PolarHBondContact O-N 3.14Å; F95-Y102 AromaticContact CD1-CD1 3.73Å; F95-Y102 HydrophobicContact CD1-CD1 3.73Å; F95-Y102 AromaticContact CD1-CE1 3.79Å; F95-Y102 HydrophobicContact CD1-CE1 3.79Å; F95-Y102 HydrophobicContact CD2-CE1 4.12Å; F95-Y102 AromaticContact CE1-CD1 3.69Å; F95-Y102 HydrophobicContact CE1-CD1 3.69Å; F95-Y102 AromaticContact CE1-CE1 3.63Å; F95-Y102 HydrophobicContact CE1-CE1 3.63Å; F95-Y102 HydrophobicContact CE2-CE1 4.01Å; F95-Y102 HydrophobicContact CG-CD1 4.31Å; F95-Y102 HydrophobicContact CG-CE1 4.02Å; F95-Y102 HydrophobicContact CZ-CD1 4.27Å; F95-Y102 AromaticContact CZ-CE1 3.75Å; F95-Y102 HydrophobicContact CZ-CE1 3.75Å; F95-N113 HydrophobicContact CE1-CB 4.28Å; F95-N113 HydrophobicContact CZ-CB 3.96Å; F95-I114 VanDerWaalsContact CZ-C 3.44Å; F95-I114 VanDerWaalsContact CZ-O 3.25Å; F95-I114 WeakPolarHBondContact CZ-O 2.98Å; F95-I115 HydrophobicContact CB-CD1 4.09Å; F95-I115 HydrophobicContact CD1-CB 3.84Å; F95-I115 HydrophobicContact CD1-CD1 4.36Å; F95-I115 HydrophobicContact CD1-CG2 4.09Å; F95-I115 HydrophobicContact CD2-CB 4.33Å; F95-I115 HydrophobicContact CD2-CD1 3.84Å; F95-I115 HydrophobicContact CD2-CG1 4.34Å; F95-I115 HydrophobicContact CE1-CB 3.69Å; F95-I115 HydrophobicContact CE1-CG2 4.25Å; F95-I115 HydrophobicContact CE2-CB 4.15Å; F95-I115 HydrophobicContact CE2-CD1 4.32Å; F95-I115 HydrophobicContact CE2-CG1 4.34Å; F95-I115 HydrophobicContact CG-CB 4.18Å; F95-I115 HydrophobicContact CG-CD1 3.85Å; F95-I115 HydrophobicContact CG-CG1 4.48Å; F95-I115 HydrophobicContact CZ-CB 3.85Å; F95-A434 HydrophobicContact CD2-CB 3.53Å; F95-A434 HydrophobicContact CE2-CB 3.89Å
96N96.9Very high96.5Very high127 Ų12739.1 Ų39.168%0.67920%0.201SC*.Hα-helixtrans-65.1-29.9174.6-69.3-23.2000112.5L92 Q93 N94L92-N96 PolarHBondContact O-N 3.16Å; L92-N96 PolarHBondContact O-ND2 2.96Å; Q93-N96 PolarHBondContact O-N 2.9Å; N94-N96 VanDerWaalsContact C-N 3.34Å; N94-N96 PolarHBondContact O-N 2.83Å
97T97.5Very high96.2Very high91 Ų9138.3 Ų38.356%0.55820%0.2SC*.Hα-helixtrans-87.2-47.6-176.6-550000112.5Q93 N94 F95Q93-T97 WeakPolarHBondContact O-CB 3.47Å; Q93-T97 PolarHBondContact O-N 3.33Å; Q93-T97 PolarHBondContact O-OG1 3.45Å; N94-T97 PolarHBondContact O-N 3.34Å; N94-T97 VanDerWaalsContact O-N 3.17Å; F95-T97 PolarHBondContact O-N 2.9Å
98F97.9Very high95.7Very high57 Ų5742.7 Ų42.725%0.2522%0.216CC..Hα-helixtrans-100.2-9.9-171.3-60.3-59.4000113.5P65 L67 N94 Y102P65-F98 HydrophobicContact CB-CB 4.21Å; P65-F98 HydrophobicContact CB-CD1 4.14Å; P65-F98 HydrophobicContact CG-CB 4.27Å; L67-F98 HydrophobicContact CD2-CZ 4.07Å; L67-F98 HydrophobicContact CG-CE2 4.13Å; L67-F98 HydrophobicContact CG-CZ 3.88Å; N94-F98 HydrophobicContact CB-CD2 4.13Å; N94-F98 HydrophobicContact CB-CE2 4.39Å; N94-F98 WeakPolarHBondContact O-CB 3.38Å; N94-F98 WeakPolarHBondContact O-CD2 3.31Å; N94-F98 PolarHBondContact O-N 3.29Å; F98-Y102 HydrophobicContact CB-CG 4.45Å; F98-Y102 HydrophobicContact CD2-CD2 4.36Å; F98-Y102 HydrophobicContact CD2-CG 4.18Å
99G97.1Very high95.2Very high26 Ų2644.2 Ų44.227%0.26822%0.222SC..  trans91.1-161.7-176.400000112.8F95 I101F95-G99 WeakPolarHBondContact CD1-O 3.18Å; F95-G99 CarbonylContact O-C 3.56Å; F95-G99 VanDerWaalsContact O-CA 3.28Å; F95-G99 WeakPolarHBondContact O-CA 3.42Å; F95-G99 PolarHBondContact O-N 3.14Å; G99-I101 PolarHBondContact O-N 3.5Å
100P97.3Very high95.1Very high45 Ų4542 Ų4229%0.29222%0.216SC..SBendtrans-73.6-9.2-166.630.3-36.8000115.3I115 K116 Q418P100-I115 HydrophobicContact CB-CG2 3.94Å; P100-I115 PolarHBondContact O-N 2.93Å; P100-K116 HydrophobicContact CB-CD 4.36Å; P100-K116 HydrophobicContact CB-CG 4.09Å; P100-Q418 HydrophobicContact CG-CG 4.37Å
101I98.5Very high95.2Very high5 Ų541.4 Ų41.43%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-137.7136.1175.9-175.7171.6000108.7I64 P65 G99 V112 N113 I114 I417 Q418 Y420 I422I64-I101 HydrophobicContact CD1-CD1 4.46Å; I64-I101 HydrophobicContact CG2-CD1 4.48Å; I64-I101 HydrophobicContact CG2-CG1 4.17Å; P65-I101 WeakPolarHBondContact CG-O 2.99Å; G99-I101 PolarHBondContact O-N 3.5Å; I101-V112 HydrophobicContact CD1-CG1 3.83Å; I101-V112 HydrophobicContact CG1-CG1 3.81Å; I101-N113 CarbonylContact C-O 3.57Å; I101-N113 VanDerWaalsContact CA-O 3.3Å; I101-N113 WeakPolarHBondContact CA-O 3.23Å; I101-I114 HydrophobicContact CD1-CG2 4.35Å; I101-I114 HydrophobicContact CG1-CG2 4.14Å; I101-I417 HydrophobicContact CD1-CB 4.42Å; I101-I417 HydrophobicContact CD1-CG2 4.08Å; I101-Q418 HydrophobicContact CB-CB 4.34Å; I101-Q418 HydrophobicContact CB-CG 4.09Å; I101-Q418 HydrophobicContact CG2-CB 3.73Å; I101-Q418 HydrophobicContact CG2-CG 3.94Å; I101-Y420 HydrophobicContact CD1-CD2 4.2Å; I101-Y420 HydrophobicContact CG2-CD2 4Å; I101-Y420 HydrophobicContact CG2-CE2 3.85Å; I101-I422 HydrophobicContact CD1-CD1 4.27Å
102Y98.6Very high95.3Very high1 Ų141.1 Ų41.10%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-149.7154.7170.174.6-90.5000111.8P65 M91 N94 F95 F98 E104 V112 N113P65-Y102 CarbonylContact O-C 3.48Å; P65-Y102 WeakPolarHBondContact O-CA 3.24Å; P65-Y102 WeakPolarHBondContact O-CB 3.49Å; M91-Y102 WeakPolarHBondContact CG-OH 3.46Å; N94-Y102 HydrophobicContact CB-CD1 4.1Å; N94-Y102 HydrophobicContact CB-CD2 4.23Å; N94-Y102 HydrophobicContact CB-CE1 3.62Å; N94-Y102 HydrophobicContact CB-CE2 3.78Å; N94-Y102 HydrophobicContact CB-CG 4.39Å; N94-Y102 VanDerWaalsContact CB-CZ 3.47Å; F95-Y102 AromaticContact CD1-CD1 3.73Å; F95-Y102 HydrophobicContact CD1-CD1 3.73Å; F95-Y102 AromaticContact CD1-CE1 3.79Å; F95-Y102 HydrophobicContact CD1-CE1 3.79Å; F95-Y102 HydrophobicContact CD2-CE1 4.12Å; F95-Y102 AromaticContact CE1-CD1 3.69Å; F95-Y102 HydrophobicContact CE1-CD1 3.69Å; F95-Y102 AromaticContact CE1-CE1 3.63Å; F95-Y102 HydrophobicContact CE1-CE1 3.63Å; F95-Y102 HydrophobicContact CE2-CE1 4.01Å; F95-Y102 HydrophobicContact CG-CD1 4.31Å; F95-Y102 HydrophobicContact CG-CE1 4.02Å; F95-Y102 HydrophobicContact CZ-CD1 4.27Å; F95-Y102 AromaticContact CZ-CE1 3.75Å; F95-Y102 HydrophobicContact CZ-CE1 3.75Å; F98-Y102 HydrophobicContact CB-CG 4.45Å; F98-Y102 HydrophobicContact CD2-CD2 4.36Å; F98-Y102 HydrophobicContact CD2-CG 4.18Å; Y102-E104 HydrophobicContact CD2-CB 3.99Å; Y102-E104 HydrophobicContact CE2-CB 3.64Å; Y102-E104 HydrophobicContact CE2-CG 4.42Å; Y102-E104 PolarHBondContact OH-OE2 2.92Å; Y102-V112 CarbonylContact O-C 3.56Å; Y102-N113 HydrophobicContact CD1-CB 3.74Å; Y102-N113 HydrophobicContact CD2-CB 4.24Å; Y102-N113 HydrophobicContact CE1-CB 3.32Å; Y102-N113 HydrophobicContact CE2-CB 3.88Å; Y102-N113 WeakPolarHBondContact CE2-ND2 3.27Å; Y102-N113 HydrophobicContact CG-CB 4.17Å; Y102-N113 VanDerWaalsContact CZ-CG 3.44Å; Y102-N113 VanDerWaalsContact CZ-ND2 3.33Å; Y102-N113 PolarHBondContact N-O 2.89Å; Y102-N113 PolarHBondContact O-N 3.4Å
103R98.1Very high95.3Very high26 Ų2639.3 Ų39.310%0.09820%0.201CC..EExtended strand (participates in β ladder)trans-108135.1175.1-177.7-177169.1-177.8-0.6109.5F61 I64 P65 G66 L67 W68 E110 S111 V112F61-R103 VanDerWaalsContact CE1-NH2 3.34Å; F61-R103 PolarHBondContact O-NH1 2.94Å; I64-R103 HydrophobicContact CB-CB 4.08Å; I64-R103 HydrophobicContact CG2-CB 3.67Å; P65-R103 PolarHBondContact O-N 3.05Å; G66-R103 CarbonylContact C-O 3.49Å; G66-R103 VanDerWaalsContact C-O 3.3Å; G66-R103 VanDerWaalsContact CA-O 3.28Å; G66-R103 WeakPolarHBondContact CA-O 3.36Å; L67-R103 PolarHBondContact N-O 3.25Å; W68-R103 HydrophobicContact CB-CB 4.42Å; W68-R103 HydrophobicContact CB-CG 3.76Å; W68-R103 HydrophobicContact CG-CB 4.17Å; W68-R103 HydrophobicContact CG-CG 3.77Å; R103-E110 IonicContact CZ-OE1 3.7Å; R103-E110 IonicContact NE-OE1 3.76Å; R103-E110 PolarHBondContact NE-OE1 3.39Å; R103-E110 IonicContact NH2-OE1 3.4Å; R103-E110 PolarHBondContact NH2-OE1 3.21Å; R103-S111 WeakPolarHBondContact CA-O 3.48Å; R103-V112 HydrophobicContact CG-CG2 4.49Å
104E96.4Very high95.4Very high16 Ų1633.7 Ų33.78%0.07518%0.175CC..EExtended strand (participates in β ladder)trans-137.7138.3-176.7175.7170.6-124.100110.8L67 N94 Y102 I106 E110 S111L67-E104 CarbonylContact O-C 3.51Å; L67-E104 WeakPolarHBondContact O-CA 3.33Å; N94-E104 PolarHBondContact ND2-OE1 3.37Å; Y102-E104 HydrophobicContact CD2-CB 3.99Å; Y102-E104 HydrophobicContact CE2-CB 3.64Å; Y102-E104 HydrophobicContact CE2-CG 4.42Å; Y102-E104 PolarHBondContact OH-OE2 2.92Å; E104-I106 HydrophobicContact CG-CD1 3.96Å; E104-I106 HydrophobicContact CG-CG1 3.82Å; E104-E110 WeakPolarHBondContact O-CA 3.37Å; E104-S111 PolarHBondContact N-O 3.18Å; E104-S111 PolarHBondContact O-N 2.81Å
105K94.8Very high95.4Very high64 Ų6433.4 Ų33.428%0.27817%0.174SC..EExtended strand (participates in β ladder)trans-126115174.5-168.9171.4-166.5142.60108.9L67 W68 G71 N74 Y109 E110L67-K105 PolarHBondContact O-N 3.13Å; W68-K105 HydrophobicContact CB-CB 4.07Å; W68-K105 WeakPolarHBondContact O-CB 3.4Å; W68-K105 WeakPolarHBondContact O-CD 3.35Å; G71-K105 WeakPolarHBondContact CA-O 3.45Å; N74-K105 WeakPolarHBondContact CB-O 3.27Å; N74-K105 PolarHBondContact ND2-O 3.37Å; K105-Y109 CarbonylContact C-O 3.45Å; K105-Y109 VanDerWaalsContact CA-O 3.27Å; K105-Y109 WeakPolarHBondContact CA-O 3.4Å; K105-E110 HydrophobicContact CB-CB 4.38Å; K105-E110 HydrophobicContact CB-CG 4.29Å; K105-E110 HydrophobicContact CD-CB 4.44Å; K105-E110 WeakPolarHBondContact CE-OE2 3.41Å; K105-E110 HydrophobicContact CG-CB 4.06Å; K105-E110 HydrophobicContact CG-CG 4.37Å; K105-E110 IonicContact NZ-OE2 2.73Å; K105-E110 PolarHBondContact NZ-OE2 3.48Å
106I90.8Very high95.3Very high5 Ų535.9 Ų35.93%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-118.7107.7177.5-62169.2000107.4L75 F78 E104 Y108 Y109 Y262L75-I106 HydrophobicContact CB-CG2 4.2Å; L75-I106 HydrophobicContact CD1-CG2 3.66Å; F78-I106 HydrophobicContact CB-CG2 4.28Å; F78-I106 HydrophobicContact CD1-CG2 4.27Å; F78-I106 HydrophobicContact CD2-CD1 3.78Å; F78-I106 HydrophobicContact CE2-CD1 4.04Å; F78-I106 HydrophobicContact CG-CD1 4.22Å; F78-I106 HydrophobicContact CG-CG2 4.21Å; E104-I106 HydrophobicContact CG-CD1 3.96Å; E104-I106 HydrophobicContact CG-CG1 3.82Å; I106-Y108 PolarHBondContact O-N 3.1Å; I106-Y109 PolarHBondContact N-O 2.98Å; I106-Y109 WeakPolarHBondContact O-CB 3.34Å; I106-Y109 PolarHBondContact O-N 2.96Å; I106-Y262 HydrophobicContact CB-CD1 4.36Å; I106-Y262 HydrophobicContact CB-CE1 4.19Å; I106-Y262 HydrophobicContact CD1-CE1 4.49Å; I106-Y262 HydrophobicContact CG2-CD1 3.59Å; I106-Y262 HydrophobicContact CG2-CE1 3.63Å
107G86.8Confident95.2Very high16 Ų1630 Ų3017%0.16515%0.153CC..THydrogen-bonded Turntrans63.7-124.5-170.900000110.7G71G71-G107 PolarHBondContact O-N 3.14Å
108Y83.6Confident95Very high120 Ų12030 Ų3047%0.47115%0.147SC..THydrogen-bonded Turntrans-90.6-7.717462.4-90.7000113.1I106 L261 Y262 P264I106-Y108 PolarHBondContact O-N 3.1Å; Y108-L261 PolarHBondContact OH-O 3.44Å; Y108-Y262 WeakPolarHBondContact CE1-O 3.31Å; Y108-P264 HydrophobicContact CE1-CG 3.92Å
109Y86.4Confident95Very high32 Ų3227.2 Ų27.213%0.12514%0.135CC..EExtended strand (participates in β ladder)trans-83.6122-179.6-178.5-98.8000110.2K105 I106 L134 L427 Q429K105-Y109 CarbonylContact C-O 3.45Å; K105-Y109 VanDerWaalsContact CA-O 3.27Å; K105-Y109 WeakPolarHBondContact CA-O 3.4Å; I106-Y109 PolarHBondContact N-O 2.98Å; I106-Y109 WeakPolarHBondContact O-CB 3.34Å; I106-Y109 PolarHBondContact O-N 2.96Å; Y109-L134 HydrophobicContact CD2-CD1 3.98Å; Y109-L134 HydrophobicContact CD2-CD2 4.22Å; Y109-L134 HydrophobicContact CE2-CD1 3.47Å; Y109-L134 VanDerWaalsContact CE2-CD1 3.47Å; Y109-L134 HydrophobicContact CE2-CD2 3.38Å; Y109-L134 HydrophobicContact CE2-CG 3.97Å; Y109-L427 HydrophobicContact CD2-CD2 4.26Å; Y109-L427 HydrophobicContact CE2-CD2 3.23Å; Y109-L427 VanDerWaalsContact CZ-CD2 3.41Å; Y109-L427 WeakPolarHBondContact OH-CD2 3.37Å; Y109-Q429 VanDerWaalsContact OH-CD 3.26Å; Y109-Q429 PolarHBondContact OH-NE2 2.91Å
110E93.9Very high94.9Very high52 Ų5226 Ų2624%0.24312%0.122CC..EExtended strand (participates in β ladder)trans-129.3134.2-178.5-176.5158.5-159.900110.6R103 E104 K105R103-E110 IonicContact CZ-OE1 3.7Å; R103-E110 IonicContact NE-OE1 3.76Å; R103-E110 PolarHBondContact NE-OE1 3.39Å; R103-E110 IonicContact NH2-OE1 3.4Å; R103-E110 PolarHBondContact NH2-OE1 3.21Å; E104-E110 WeakPolarHBondContact O-CA 3.37Å; K105-E110 HydrophobicContact CB-CB 4.38Å; K105-E110 HydrophobicContact CB-CG 4.29Å; K105-E110 HydrophobicContact CD-CB 4.44Å; K105-E110 WeakPolarHBondContact CE-OE2 3.41Å; K105-E110 HydrophobicContact CG-CB 4.06Å; K105-E110 HydrophobicContact CG-CG 4.37Å; K105-E110 IonicContact NZ-OE2 2.73Å; K105-E110 PolarHBondContact NZ-OE2 3.48Å
111S96.9Very high94.7Very high1 Ų124.7 Ų24.71%0.00712%0.115CC..EExtended strand (participates in β ladder)trans-149.9154.2-18064.90000113.4R103 E104 N113 L427 Q429R103-S111 WeakPolarHBondContact CA-O 3.48Å; E104-S111 PolarHBondContact N-O 3.18Å; E104-S111 PolarHBondContact O-N 2.81Å; S111-N113 PolarHBondContact OG-ND2 3.25Å; S111-L427 CarbonylContact C-O 3.57Å; S111-L427 WeakPolarHBondContact CA-O 3.14Å; S111-L427 WeakPolarHBondContact CB-O 3.25Å; S111-Q429 PolarHBondContact OG-NE2 2.99Å
112V98.6Very high94.6Very high0 Ų026.7 Ų26.70%013%0.125CC..EExtended strand (participates in β ladder)trans-93132.1159.91770000108.4F61 I64 I101 Y102 R103 I114 I422 T426 L427 V428 Q429F61-V112 HydrophobicContact CE2-CG2 3.63Å; F61-V112 HydrophobicContact CZ-CG2 4.32Å; I64-V112 HydrophobicContact CD1-CG2 4.05Å; I101-V112 HydrophobicContact CD1-CG1 3.83Å; I101-V112 HydrophobicContact CG1-CG1 3.81Å; Y102-V112 CarbonylContact O-C 3.56Å; R103-V112 HydrophobicContact CG-CG2 4.49Å; V112-I114 HydrophobicContact CG1-CG2 4.31Å; V112-I422 HydrophobicContact CG1-CD1 4.01Å; V112-I422 HydrophobicContact CG2-CG2 4.35Å; V112-T426 HydrophobicContact CB-CG2 4.48Å; V112-T426 HydrophobicContact CG2-CG2 3.85Å; V112-L427 PolarHBondContact N-O 3.4Å; V112-V428 HydrophobicContact CB-CG2 4.36Å; V112-V428 CarbonylContact O-C 3.58Å; V112-V428 VanDerWaalsContact O-CA 3.25Å; V112-V428 WeakPolarHBondContact O-CA 3.45Å; V112-Q429 PolarHBondContact O-N 2.84Å
113N98.6Very high94.5Very high1 Ų126.6 Ų26.61%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-113.4130-178.4-61.8-77.1000109M91 F95 I101 Y102 S111 Q429M91-N113 HydrophobicContact CE-CB 4.08Å; M91-N113 WeakPolarHBondContact CE-OD1 3.37Å; F95-N113 HydrophobicContact CE1-CB 4.28Å; F95-N113 HydrophobicContact CZ-CB 3.96Å; I101-N113 CarbonylContact C-O 3.57Å; I101-N113 VanDerWaalsContact CA-O 3.3Å; I101-N113 WeakPolarHBondContact CA-O 3.23Å; Y102-N113 HydrophobicContact CD1-CB 3.74Å; Y102-N113 HydrophobicContact CD2-CB 4.24Å; Y102-N113 HydrophobicContact CE1-CB 3.32Å; Y102-N113 HydrophobicContact CE2-CB 3.88Å; Y102-N113 WeakPolarHBondContact CE2-ND2 3.27Å; Y102-N113 HydrophobicContact CG-CB 4.17Å; Y102-N113 VanDerWaalsContact CZ-CG 3.44Å; Y102-N113 VanDerWaalsContact CZ-ND2 3.33Å; Y102-N113 PolarHBondContact N-O 2.89Å; Y102-N113 PolarHBondContact O-N 3.4Å; S111-N113 PolarHBondContact OG-ND2 3.25Å; N113-Q429 CarbonylContact C-O 3.57Å; N113-Q429 WeakPolarHBondContact CA-O 3.42Å; N113-Q429 WeakPolarHBondContact OD1-CB 3.05Å; N113-Q429 PolarHBondContact OD1-NE2 3.43Å
114I98.6Very high94.4Very high0 Ų025.9 Ų25.90%012%0.122CC..EExtended strand (participates in β ladder)trans-126.3154.3-178.860.2168.1000109.9F95 I101 V112 D119 L123 I417 V428 Q429 L430 G431F95-I114 VanDerWaalsContact CZ-C 3.44Å; F95-I114 VanDerWaalsContact CZ-O 3.25Å; F95-I114 WeakPolarHBondContact CZ-O 2.98Å; I101-I114 HydrophobicContact CD1-CG2 4.35Å; I101-I114 HydrophobicContact CG1-CG2 4.14Å; V112-I114 HydrophobicContact CG1-CG2 4.31Å; I114-D119 HydrophobicContact CB-CB 4.22Å; I114-D119 HydrophobicContact CD1-CB 3.77Å; I114-L123 HydrophobicContact CD1-CB 4.14Å; I114-L123 HydrophobicContact CD1-CD2 4Å; I114-I417 HydrophobicContact CD1-CD1 4.33Å; I114-I417 HydrophobicContact CG2-CD1 4.45Å; I114-I417 HydrophobicContact CG2-CG2 4.01Å; I114-V428 HydrophobicContact CD1-CG1 4.06Å; I114-V428 HydrophobicContact CG1-CG1 4.15Å; I114-V428 HydrophobicContact CG2-CG1 4.31Å; I114-Q429 WeakPolarHBondContact CG1-O 3.23Å; I114-Q429 PolarHBondContact N-O 3.5Å; I114-L430 HydrophobicContact CD1-CD1 4.19Å; I114-L430 HydrophobicContact CG1-CB 4.26Å; I114-L430 HydrophobicContact CG1-CD1 3.95Å; I114-L430 WeakPolarHBondContact O-CA 3.46Å; I114-G431 PolarHBondContact O-N 3.03Å
115I97.5Very high94.4Very high8 Ų832.3 Ų32.34%0.04115%0.15CC..  trans-125.6-23.7-177.7-161.6173.2000114.2F95 P100 A434 M435 D438F95-I115 HydrophobicContact CB-CD1 4.09Å; F95-I115 HydrophobicContact CD1-CB 3.84Å; F95-I115 HydrophobicContact CD1-CD1 4.36Å; F95-I115 HydrophobicContact CD1-CG2 4.09Å; F95-I115 HydrophobicContact CD2-CB 4.33Å; F95-I115 HydrophobicContact CD2-CD1 3.84Å; F95-I115 HydrophobicContact CD2-CG1 4.34Å; F95-I115 HydrophobicContact CE1-CB 3.69Å; F95-I115 HydrophobicContact CE1-CG2 4.25Å; F95-I115 HydrophobicContact CE2-CB 4.15Å; F95-I115 HydrophobicContact CE2-CD1 4.32Å; F95-I115 HydrophobicContact CE2-CG1 4.34Å; F95-I115 HydrophobicContact CG-CB 4.18Å; F95-I115 HydrophobicContact CG-CD1 3.85Å; F95-I115 HydrophobicContact CG-CG1 4.48Å; F95-I115 HydrophobicContact CZ-CB 3.85Å; P100-I115 HydrophobicContact CB-CG2 3.94Å; P100-I115 PolarHBondContact O-N 2.93Å; I115-A434 HydrophobicContact CD1-CB 3.74Å; I115-A434 HydrophobicContact CG1-CB 4.36Å; I115-M435 HydrophobicContact CG1-CB 3.82Å; I115-M435 VanDerWaalsContact O-CG 3.25Å; I115-M435 WeakPolarHBondContact O-CG 3.04Å; I115-D438 HydrophobicContact CD1-CB 4.25Å
116K96.1Very high94.4Very high61 Ų6129.4 Ų29.427%0.26514%0.138SC..  trans-81.3142.5-171.9-58.5-165.8-166.7154.50112.6P100 E118 D119 A120 Q418P100-K116 HydrophobicContact CB-CD 4.36Å; P100-K116 HydrophobicContact CB-CG 4.09Å; K116-E118 VanDerWaalsContact C-N 3.26Å; K116-E118 WeakPolarHBondContact CB-OE2 3.45Å; K116-E118 VanDerWaalsContact CD-OE2 3.31Å; K116-E118 WeakPolarHBondContact CD-OE2 3.36Å; K116-E118 PolarHBondContact O-N 2.7Å; K116-D119 HydrophobicContact CB-CB 4.43Å; K116-D119 PolarHBondContact O-N 2.79Å; K116-A120 PolarHBondContact O-N 3.37Å; K116-A120 VanDerWaalsContact O-N 3.15Å; K116-Q418 VanDerWaalsContact CD-NE2 3.27Å; K116-Q418 VanDerWaalsContact CE-NE2 3.29Å; K116-Q418 VanDerWaalsContact NZ-OE1 3.12Å
117P94.6Very high94.4Very high2 Ų229.7 Ų29.71%0.01314%0.139CC..Hα-helixtrans-58.5-34.7174-24.232.9000114.1A120 A121 M435 V441 Y460 F461 R462P117-A120 VanDerWaalsContact O-CB 3.32Å; P117-A120 WeakPolarHBondContact O-CB 3.12Å; P117-A120 PolarHBondContact O-N 2.91Å; P117-A121 PolarHBondContact O-N 2.81Å; P117-M435 HydrophobicContact CG-SD 4.19Å; P117-V441 HydrophobicContact CG-CG1 3.7Å; P117-V441 HydrophobicContact CG-CG2 4.38Å; P117-Y460 VanDerWaalsContact CB-O 3.31Å; P117-Y460 WeakPolarHBondContact CB-O 3.37Å; P117-F461 HydrophobicContact CB-CB 3.9Å; P117-R462 HydrophobicContact CG-CG 4.18Å
118E94.5Very high94.7Very high91 Ų9130.7 Ų30.743%0.42515%0.149SC..Hα-helixtrans-64.2-40.8177.2-45.980.1-116.200111.7K116 A120 A121 I122K116-E118 VanDerWaalsContact C-N 3.26Å; K116-E118 WeakPolarHBondContact CB-OE2 3.45Å; K116-E118 VanDerWaalsContact CD-OE2 3.31Å; K116-E118 WeakPolarHBondContact CD-OE2 3.36Å; K116-E118 PolarHBondContact O-N 2.7Å; E118-A120 VanDerWaalsContact C-N 3.29Å; E118-A120 PolarHBondContact O-N 2.91Å; E118-A121 WeakPolarHBondContact O-CB 3.4Å; E118-A121 PolarHBondContact O-N 2.72Å; E118-I122 PolarHBondContact O-N 3.42Å
119D96.6Very high95.1Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-67.7-32.7177-59.2-23.1000111.1I114 K116 A121 I122 L123 I417 Q418I114-D119 HydrophobicContact CB-CB 4.22Å; I114-D119 HydrophobicContact CD1-CB 3.77Å; K116-D119 HydrophobicContact CB-CB 4.43Å; K116-D119 PolarHBondContact O-N 2.79Å; D119-A121 VanDerWaalsContact C-N 3.3Å; D119-A121 PolarHBondContact O-N 3.24Å; D119-I122 PolarHBondContact O-N 2.9Å; D119-L123 PolarHBondContact O-N 3.33Å; D119-I417 HydrophobicContact CB-CG2 3.85Å; D119-I417 VanDerWaalsContact CG-CG2 3.5Å; D119-Q418 PolarHBondContact OD1-NE2 3.09Å; D119-Q418 PolarHBondContact OD2-NE2 2.92Å
120A95.8Very high95.6Very high0 Ų031.9 Ų31.90%016%0.157CC..Hα-helixtrans-61.1-39.8174.600000111.7K116 P117 E118 I122 L123 F124 L430 F461 L464K116-A120 PolarHBondContact O-N 3.37Å; K116-A120 VanDerWaalsContact O-N 3.15Å; P117-A120 VanDerWaalsContact O-CB 3.32Å; P117-A120 WeakPolarHBondContact O-CB 3.12Å; P117-A120 PolarHBondContact O-N 2.91Å; E118-A120 VanDerWaalsContact C-N 3.29Å; E118-A120 PolarHBondContact O-N 2.91Å; A120-I122 VanDerWaalsContact C-N 3.33Å; A120-I122 PolarHBondContact O-N 3.44Å; A120-L123 WeakPolarHBondContact O-CB 3.37Å; A120-L123 PolarHBondContact O-N 3.4Å; A120-F124 HydrophobicContact CB-CD2 4.31Å; A120-F124 HydrophobicContact CB-CE2 4.07Å; A120-F124 WeakPolarHBondContact O-CD2 3.37Å; A120-F124 WeakPolarHBondContact O-CG 3.48Å; A120-F124 PolarHBondContact O-N 3.42Å; A120-L430 HydrophobicContact CB-CD1 4Å; A120-L430 HydrophobicContact CB-CD2 3.56Å; A120-L430 HydrophobicContact CB-CG 4.38Å; A120-F461 HydrophobicContact CB-CB 4.24Å; A120-F461 HydrophobicContact CB-CD1 4.06Å; A120-F461 HydrophobicContact CB-CG 4.32Å; A120-L464 HydrophobicContact CB-CD1 4.43Å
121A93.4Very high95.7Very high18 Ų1829.4 Ų29.415%0.14915%0.146CC..Hα-helixtrans-62.8-40.317700000112.2P117 E118 D119 K125 Y460 F461P117-A121 PolarHBondContact O-N 2.81Å; E118-A121 WeakPolarHBondContact O-CB 3.4Å; E118-A121 PolarHBondContact O-N 2.72Å; D119-A121 VanDerWaalsContact C-N 3.3Å; D119-A121 PolarHBondContact O-N 3.24Å; A121-K125 WeakPolarHBondContact O-CB 3.4Å; A121-K125 PolarHBondContact O-N 3.06Å; A121-Y460 HydrophobicContact CB-CE1 3.9Å; A121-Y460 WeakPolarHBondContact CB-OH 3.44Å; A121-F461 HydrophobicContact CB-CD2 3.95Å; A121-F461 HydrophobicContact CB-CE2 3.65Å; A121-F461 HydrophobicContact CB-CZ 4.13Å
122I96.3Very high95.6Very high46 Ų4634.4 Ų34.424%0.23617%0.167CC..Hα-helixtrans-62.7-48.9174.6-60171.1000109.8E118 D119 A120 F124 K125 A126 I415 I417E118-I122 PolarHBondContact O-N 3.42Å; D119-I122 PolarHBondContact O-N 2.9Å; A120-I122 VanDerWaalsContact C-N 3.33Å; A120-I122 PolarHBondContact O-N 3.44Å; I122-F124 PolarHBondContact O-N 3.42Å; I122-K125 PolarHBondContact O-N 2.93Å; I122-A126 PolarHBondContact O-N 3.3Å; I122-A126 VanDerWaalsContact O-N 3.13Å; I122-I415 HydrophobicContact CG2-CB 4.25Å; I122-I415 HydrophobicContact CG2-CD1 4.4Å; I122-I415 HydrophobicContact CG2-CG2 4.49Å; I122-I417 HydrophobicContact CB-CD1 4.41Å; I122-I417 HydrophobicContact CB-CG1 4.26Å; I122-I417 HydrophobicContact CD1-CG1 4.34Å; I122-I417 HydrophobicContact CG2-CD1 4.21Å; I122-I417 HydrophobicContact CG2-CG1 3.86Å
123L96.9Very high95.4Very high0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-54.6-51.2177.8173.160000112.4I114 D119 A120 K125 A126 E127 R409 I411 V428 L430I114-L123 HydrophobicContact CD1-CB 4.14Å; I114-L123 HydrophobicContact CD1-CD2 4Å; D119-L123 PolarHBondContact O-N 3.33Å; A120-L123 WeakPolarHBondContact O-CB 3.37Å; A120-L123 PolarHBondContact O-N 3.4Å; L123-K125 VanDerWaalsContact C-N 3.28Å; L123-K125 PolarHBondContact O-N 2.9Å; L123-A126 PolarHBondContact O-N 3.37Å; L123-E127 PolarHBondContact O-N 2.92Å; L123-R409 HydrophobicContact CD1-CB 3.85Å; L123-R409 HydrophobicContact CD1-CG 4.36Å; L123-R409 HydrophobicContact CG-CB 4.47Å; L123-R409 HydrophobicContact CG-CG 4.47Å; L123-I411 HydrophobicContact CD1-CG2 3.68Å; L123-V428 HydrophobicContact CD1-CB 3.61Å; L123-V428 HydrophobicContact CD1-CG1 3.81Å; L123-V428 HydrophobicContact CD1-CG2 4.33Å; L123-V428 HydrophobicContact CD2-CG1 4.14Å; L123-V428 HydrophobicContact CG-CG1 4.48Å; L123-L430 HydrophobicContact CD2-CB 4.44Å
124F96.1Very high95.1Very high11 Ų1139.8 Ų39.85%0.04819%0.191CC..Hα-helixtrans-75.2-16.2-177.3-66.1-56.2000113.4A120 I122 E127 L407 R409 L430 F461 L464 F468A120-F124 HydrophobicContact CB-CD2 4.31Å; A120-F124 HydrophobicContact CB-CE2 4.07Å; A120-F124 WeakPolarHBondContact O-CD2 3.37Å; A120-F124 WeakPolarHBondContact O-CG 3.48Å; A120-F124 PolarHBondContact O-N 3.42Å; I122-F124 PolarHBondContact O-N 3.42Å; F124-E127 VanDerWaalsContact O-CG 3.3Å; F124-E127 WeakPolarHBondContact O-CG 3.43Å; F124-L407 HydrophobicContact CZ-CB 4.44Å; F124-L407 HydrophobicContact CZ-CD1 3.82Å; F124-R409 HydrophobicContact CE1-CG 4.49Å; F124-L430 HydrophobicContact CE2-CD2 4.42Å; F124-F461 HydrophobicContact CB-CE1 4.5Å; F124-F461 AromaticContact CD2-CD1 3.83Å; F124-F461 HydrophobicContact CD2-CD1 3.83Å; F124-F461 AromaticContact CD2-CE1 3.39Å; F124-F461 HydrophobicContact CD2-CE1 3.39Å; F124-F461 HydrophobicContact CD2-CZ 4.39Å; F124-F461 HydrophobicContact CE2-CD1 4.03Å; F124-F461 HydrophobicContact CE2-CE1 4Å; F124-F461 HydrophobicContact CG-CE1 4.32Å; F124-L464 HydrophobicContact CE2-CD1 4.32Å; F124-L464 HydrophobicContact CE2-CD2 4.4Å; F124-F468 HydrophobicContact CB-CD1 3.66Å; F124-F468 HydrophobicContact CB-CE1 4.04Å; F124-F468 HydrophobicContact CD1-CB 4.23Å; F124-F468 HydrophobicContact CD1-CD1 4.18Å; F124-F468 HydrophobicContact CD2-CB 3.98Å; F124-F468 AromaticContact CD2-CD1 3.85Å; F124-F468 HydrophobicContact CD2-CD1 3.85Å; F124-F468 HydrophobicContact CD2-CG 4.1Å; F124-F468 HydrophobicContact CE1-CB 4.12Å; F124-F468 HydrophobicContact CE2-CB 3.84Å; F124-F468 HydrophobicContact CE2-CG 4.4Å; F124-F468 HydrophobicContact CG-CB 4.18Å; F124-F468 AromaticContact CG-CD1 3.63Å; F124-F468 HydrophobicContact CG-CD1 3.63Å; F124-F468 HydrophobicContact CG-CE1 4.46Å; F124-F468 HydrophobicContact CG-CG 4.25Å; F124-F468 HydrophobicContact CZ-CB 3.92Å
125K94.9Very high94.6Very high151 Ų15143.9 Ų43.966%0.65721%0.209SC*.Hα-helixtrans-76.4-33.4169.6-169.5175.4-179.7179.90111.5A121 I122 L123A121-K125 WeakPolarHBondContact O-CB 3.4Å; A121-K125 PolarHBondContact O-N 3.06Å; I122-K125 PolarHBondContact O-N 2.93Å; L123-K125 VanDerWaalsContact C-N 3.28Å; L123-K125 PolarHBondContact O-N 2.9Å
126A94.8Very high94.4Very high2 Ų244.5 Ų44.52%0.01721%0.213CC..SBendtrans-91.37.7-178.500000114.6I122 L123 G128 A412 E413 I415I122-A126 PolarHBondContact O-N 3.3Å; I122-A126 VanDerWaalsContact O-N 3.13Å; L123-A126 PolarHBondContact O-N 3.37Å; A126-G128 PolarHBondContact O-N 3.03Å; A126-A412 PolarHBondContact O-N 3.11Å; A126-E413 HydrophobicContact CB-CG 3.98Å; A126-I415 HydrophobicContact CB-CG2 3.31Å
127E92.5Very high94.2Very high12 Ų1244.9 Ų44.96%0.05622%0.216CC..SBendtrans-72.1-10.4-17971.7177.9-163.400113.7L123 F124 P131 R409 P470L123-E127 PolarHBondContact O-N 2.92Å; F124-E127 VanDerWaalsContact O-CG 3.3Å; F124-E127 WeakPolarHBondContact O-CG 3.43Å; E127-P131 HydrophobicContact CB-CB 4.06Å; E127-P131 HydrophobicContact CB-CG 4.37Å; E127-P131 HydrophobicContact CG-CB 3.98Å; E127-P131 HydrophobicContact CG-CG 3.77Å; E127-P131 WeakPolarHBondContact O-CA 3.49Å; E127-P131 WeakPolarHBondContact OE1-CG 3.42Å; E127-R409 HydrophobicContact CB-CG 4.06Å; E127-R409 IonicContact OE2-CZ 3.27Å; E127-R409 IonicContact OE2-NE 2.82Å; E127-R409 PolarHBondContact OE2-NE 3.24Å; E127-R409 IonicContact OE2-NH2 3.23Å; E127-R409 PolarHBondContact OE2-NH2 3.44Å; E127-R409 VanDerWaalsContact OE2-NH2 3.09Å; E127-P470 WeakPolarHBondContact OE1-CD 3.44Å
128G92.1Very high94.2Very high36 Ų3644.9 Ų44.937%0.37122%0.216SC..  trans70.2-175.1-179.400000113.6A126 Y130A126-G128 PolarHBondContact O-N 3.03Å; G128-Y130 VanDerWaalsContact C-N 3.33Å; G128-Y130 PolarHBondContact O-N 3.29Å
129H92.5Very high94.2Very high110 Ų11041.7 Ų41.751%0.50920%0.2SC..SBendtrans-73.3-25.4-175.5-169.869000114.1P131 R161H129-P131 WeakPolarHBondContact O-CD 3.4Å; H129-R161 PolarHBondContact CE1-NH2 2.78Å; H129-R161 PolarHBondContact NE2-NE 2.97Å; H129-R161 PolarHBondContact NE2-NH1 2.87Å; H129-R161 PolarHBondContact NE2-NH2 2.73Å
130Y96Very high94.2Very high67 Ų6741.7 Ų41.726%0.26320%0.2SC..SBendtrans-122.577.2177.6-53.5-65.4000109.6G128 K132 G157 E158 W160 R161G128-Y130 VanDerWaalsContact C-N 3.33Å; G128-Y130 PolarHBondContact O-N 3.29Å; Y130-K132 PolarHBondContact O-N 3Å; Y130-G157 VanDerWaalsContact CD1-O 3.32Å; Y130-G157 WeakPolarHBondContact CD1-O 3.42Å; Y130-E158 HydrophobicContact CE1-CG 3.86Å; Y130-E158 HydrophobicContact CE2-CG 4.12Å; Y130-E158 VanDerWaalsContact CZ-CG 3.46Å; Y130-E158 VanDerWaalsContact OH-CG 3.23Å; Y130-E158 WeakPolarHBondContact OH-CG 3.37Å; Y130-E158 PolarHBondContact OH-OE1 3.31Å; Y130-W160 HydrophobicContact CD1-CE3 4.44Å; Y130-R161 HydrophobicContact CD1-CB 3.97Å; Y130-R161 HydrophobicContact CE1-CB 3.84Å; Y130-R161 VanDerWaalsContact CE1-CD 3.46Å; Y130-R161 HydrophobicContact CE1-CG 4.29Å
131P96.5Very high94.1Very high0 Ų043.1 Ų43.10%021%0.21CC..  trans-56.9127.9-173.8-2129.9000110.7E127 H129 W160 P470 R471E127-P131 HydrophobicContact CB-CB 4.06Å; E127-P131 HydrophobicContact CB-CG 4.37Å; E127-P131 HydrophobicContact CG-CB 3.98Å; E127-P131 HydrophobicContact CG-CG 3.77Å; E127-P131 WeakPolarHBondContact O-CA 3.49Å; E127-P131 WeakPolarHBondContact OE1-CG 3.42Å; H129-P131 WeakPolarHBondContact O-CD 3.4Å; P131-W160 HydrophobicContact CG-CH2 4.48Å; P131-P470 HydrophobicContact CG-CG 3.98Å; P131-R471 HydrophobicContact CB-CB 4.1Å; P131-R471 HydrophobicContact CG-CB 4.27Å; P131-R471 WeakPolarHBondContact O-CD 3.25Å; P131-R471 PolarHBondContact O-NH1 3.01Å
132K95.5Very high94.3Very high106 Ų10642.2 Ų42.246%0.46120%0.203SC..BIsolated β-bridgetrans-107139.2178.8-65.1180-174.1174.40110.4Y130 R409 Y410Y130-K132 PolarHBondContact O-N 3Å; K132-R409 CarbonylContact O-C 3.6Å; K132-R409 VanDerWaalsContact O-CA 3.28Å; K132-R409 WeakPolarHBondContact O-CA 3.43Å; K132-Y410 HydrophobicContact CB-CD2 4.12Å; K132-Y410 PolarHBondContact O-N 3.22Å
133R94.2Very high94.2Very high64 Ų6440.1 Ų40.124%0.24219%0.192CC..  trans-111.3171.6175.5-62.5-179175-174.9-11.1109.7K135 Y410 R471R133-K135 PolarHBondContact O-N 3.41Å; R133-Y410 WeakPolarHBondContact O-CE2 3.37Å; R133-R471 PolarHBondContact NH2-O 2.81Å
134L91.3Very high94.2Very high51 Ų5144.7 Ų44.727%0.26722%0.216SC..  trans-55.6127.1169.5179.257.9000110.1Y109 L427Y109-L134 HydrophobicContact CD2-CD1 3.98Å; Y109-L134 HydrophobicContact CD2-CD2 4.22Å; Y109-L134 HydrophobicContact CE2-CD1 3.47Å; Y109-L134 VanDerWaalsContact CE2-CD1 3.47Å; Y109-L134 HydrophobicContact CE2-CD2 3.38Å; Y109-L134 HydrophobicContact CE2-CG 3.97Å; L134-L427 HydrophobicContact CB-CD2 4.49Å; L134-L427 HydrophobicContact CD1-CD2 4.22Å
135K89.3Confident94.1Very high85 Ų8548.9 Ų48.937%0.3723%0.232SC..  trans-77.3127.5174.7-178.1171.6170.1-127.20109.5R133 E137 T140R133-K135 PolarHBondContact O-N 3.41Å; K135-E137 WeakPolarHBondContact CD-OE1 3.42Å; K135-E137 WeakPolarHBondContact CE-OE1 3.34Å; K135-E137 IonicContact NZ-OE1 3.94Å; K135-E137 PolarHBondContact NZ-OE1 2.93Å; K135-E137 IonicContact NZ-OE2 2.66Å; K135-E137 PolarHBondContact NZ-OE2 3.41Å; K135-E137 PolarHBondContact O-N 3Å; K135-T140 HydrophobicContact CD-CG2 4.39Å; K135-T140 VanDerWaalsContact CE-CG2 3.45Å; K135-T140 WeakPolarHBondContact CE-OG1 3.39Å; K135-T140 HydrophobicContact CG-CG2 4.25Å
136V91.9Very high94.1Very high21 Ų2146.6 Ų46.613%0.12722%0.22CC..  trans-85.389.9172.4-174.30000107.9A138 W139 T140 T257 L261V136-A138 PolarHBondContact O-N 3Å; V136-A138 VanDerWaalsContact O-N 3.15Å; V136-W139 HydrophobicContact CB-CB 4.37Å; V136-W139 HydrophobicContact CB-CD2 3.83Å; V136-W139 HydrophobicContact CB-CE3 3.84Å; V136-W139 HydrophobicContact CB-CG 4.04Å; V136-W139 HydrophobicContact CB-CZ3 4.45Å; V136-W139 HydrophobicContact CG1-CB 4.28Å; V136-W139 HydrophobicContact CG1-CD2 3.58Å; V136-W139 HydrophobicContact CG1-CE3 4.09Å; V136-W139 HydrophobicContact CG1-CG 3.62Å; V136-W139 HydrophobicContact CG2-CD2 4.37Å; V136-W139 HydrophobicContact CG2-CE3 4.04Å; V136-W139 HydrophobicContact CG2-CZ3 4.15Å; V136-W139 WeakPolarHBondContact O-CB 3.31Å; V136-W139 PolarHBondContact O-N 3.47Å; V136-T140 PolarHBondContact O-N 2.93Å; V136-T257 HydrophobicContact CG1-CG2 3.49Å; V136-T257 VanDerWaalsContact CG1-CG2 3.49Å; V136-L261 HydrophobicContact CG1-CD2 4.32Å
137E92.3Very high94Very high70 Ų7053.9 Ų53.933%0.32726%0.258SS..Hα-helixtrans-55.5-34-173-71.9-61.7152.500113.4K135 W139 T140 S141 P265K135-E137 WeakPolarHBondContact CD-OE1 3.42Å; K135-E137 WeakPolarHBondContact CE-OE1 3.34Å; K135-E137 IonicContact NZ-OE1 3.94Å; K135-E137 PolarHBondContact NZ-OE1 2.93Å; K135-E137 IonicContact NZ-OE2 2.66Å; K135-E137 PolarHBondContact NZ-OE2 3.41Å; K135-E137 PolarHBondContact O-N 3Å; E137-W139 VanDerWaalsContact C-N 3.28Å; E137-W139 PolarHBondContact O-N 2.65Å; E137-T140 PolarHBondContact O-N 3.07Å; E137-T140 PolarHBondContact O-OG1 3.01Å; E137-T140 VanDerWaalsContact O-OG1 3.1Å; E137-S141 WeakPolarHBondContact O-CB 3.3Å; E137-S141 PolarHBondContact O-N 3.13Å; E137-S141 PolarHBondContact O-OG 2.82Å; E137-P265 HydrophobicContact CB-CG 4.04Å
138A94.1Very high94.1Very high1 Ų156.4 Ų56.41%0.00827%0.267CS..Hα-helixtrans-59.3-40.6177.100000112.2V136 Y142 M260 P265V136-A138 PolarHBondContact O-N 3Å; V136-A138 VanDerWaalsContact O-N 3.15Å; A138-Y142 PolarHBondContact O-N 2.93Å; A138-M260 HydrophobicContact CB-CB 3.94Å; A138-M260 HydrophobicContact CB-CE 3.69Å; A138-M260 HydrophobicContact CB-SD 4.18Å; A138-P265 HydrophobicContact CB-CG 4.15Å
139W95.6Very high94.2Very high24 Ų2460.5 Ų60.59%0.09128%0.275CS..Hα-helixtrans-72.1-46.4-178-62.8-3.4000111V136 E137 S141 Y142 R143 L153 L154 M253 F254 T257 H279 W283 L510V136-W139 HydrophobicContact CB-CB 4.37Å; V136-W139 HydrophobicContact CB-CD2 3.83Å; V136-W139 HydrophobicContact CB-CE3 3.84Å; V136-W139 HydrophobicContact CB-CG 4.04Å; V136-W139 HydrophobicContact CB-CZ3 4.45Å; V136-W139 HydrophobicContact CG1-CB 4.28Å; V136-W139 HydrophobicContact CG1-CD2 3.58Å; V136-W139 HydrophobicContact CG1-CE3 4.09Å; V136-W139 HydrophobicContact CG1-CG 3.62Å; V136-W139 HydrophobicContact CG2-CD2 4.37Å; V136-W139 HydrophobicContact CG2-CE3 4.04Å; V136-W139 HydrophobicContact CG2-CZ3 4.15Å; V136-W139 WeakPolarHBondContact O-CB 3.31Å; V136-W139 PolarHBondContact O-N 3.47Å; E137-W139 VanDerWaalsContact C-N 3.28Å; E137-W139 PolarHBondContact O-N 2.65Å; W139-S141 VanDerWaalsContact C-N 3.33Å; W139-S141 PolarHBondContact O-N 3.23Å; W139-Y142 PolarHBondContact O-N 2.81Å; W139-R143 WeakPolarHBondContact O-CG 3.48Å; W139-R143 PolarHBondContact O-N 2.62Å; W139-R143 VanDerWaalsContact O-N 3.1Å; W139-L153 HydrophobicContact CE3-CD2 4.07Å; W139-L153 HydrophobicContact CH2-CD2 4.41Å; W139-L153 HydrophobicContact CZ3-CD2 3.51Å; W139-L153 HydrophobicContact CZ3-CG 4.32Å; W139-L154 HydrophobicContact CB-CD1 4.2Å; W139-L154 HydrophobicContact CB-CD2 4.03Å; W139-L154 HydrophobicContact CE3-CD2 4.03Å; W139-M253 HydrophobicContact CZ2-CE 4.14Å; W139-M253 HydrophobicContact CZ2-SD 3.58Å; W139-M253 VanDerWaalsContact CZ2-SD 3.58Å; W139-M253 PolarHBondContact NE1-SD 3.03Å; W139-M253 VanDerWaalsContact NE1-SD 3.4Å; W139-F254 HydrophobicContact CZ2-CE1 4.37Å; W139-T257 HydrophobicContact CZ2-CG2 4.45Å; W139-T257 PolarHBondContact NE1-OG1 3.41Å; W139-H279 AromaticContact CD1-CE1 3.61Å; W139-H279 AromaticContact CD1-NE2 3.59Å; W139-H279 AromaticContact NE1-CE1 3.81Å; W139-W283 HydrophobicContact CB-CZ2 4.35Å; W139-W283 AromaticContact CD1-CE2 3.87Å; W139-W283 AromaticContact CD1-CZ2 3.64Å; W139-W283 AromaticContact CD1-NE1 3.52Å; W139-W283 AromaticContact CD2-CZ2 3.84Å; W139-W283 HydrophobicContact CD2-CZ2 3.84Å; W139-W283 AromaticContact CE2-CZ2 3.8Å; W139-W283 AromaticContact CG-CZ2 3.7Å; W139-W283 HydrophobicContact CG-CZ2 3.7Å; W139-W283 HydrophobicContact CZ2-CZ2 4.48Å; W139-W283 AromaticContact NE1-CZ2 3.69Å; W139-W283 AromaticContact NE1-NE1 3.98Å; W139-L510 HydrophobicContact CH2-CD2 3.82Å; W139-L510 HydrophobicContact CZ2-CD2 3.31Å
140T95.4Very high94.3Very high1 Ų158.3 Ų58.31%0.00626%0.263CS..Hα-helixtrans-64.1-40175.652.30000111.6K135 V136 E137 Y142 R143 D144 Y150 L154K135-T140 HydrophobicContact CD-CG2 4.39Å; K135-T140 VanDerWaalsContact CE-CG2 3.45Å; K135-T140 WeakPolarHBondContact CE-OG1 3.39Å; K135-T140 HydrophobicContact CG-CG2 4.25Å; V136-T140 PolarHBondContact O-N 2.93Å; E137-T140 PolarHBondContact O-N 3.07Å; E137-T140 PolarHBondContact O-OG1 3.01Å; E137-T140 VanDerWaalsContact O-OG1 3.1Å; T140-Y142 VanDerWaalsContact C-N 3.29Å; T140-Y142 PolarHBondContact O-N 3.2Å; T140-R143 WeakPolarHBondContact O-CB 3.44Å; T140-R143 PolarHBondContact O-N 3.27Å; T140-R143 VanDerWaalsContact O-N 3.09Å; T140-D144 VanDerWaalsContact O-CG 3.22Å; T140-D144 PolarHBondContact O-N 3.37Å; T140-Y150 HydrophobicContact CG2-CE2 4.24Å; T140-L154 HydrophobicContact CG2-CB 4.33Å; T140-L154 HydrophobicContact CG2-CD1 4.25Å; T140-L154 HydrophobicContact CG2-CD2 4.06Å; T140-L154 HydrophobicContact CG2-CG 4.46Å
141S95.3Very high94.3Very high29 Ų2955.1 Ų55.120%0.20325%0.25CS..Hα-helixtrans-60.2-39176.2-61.40000112E137 W139 Y145E137-S141 WeakPolarHBondContact O-CB 3.3Å; E137-S141 PolarHBondContact O-N 3.13Å; E137-S141 PolarHBondContact O-OG 2.82Å; W139-S141 VanDerWaalsContact C-N 3.33Å; W139-S141 PolarHBondContact O-N 3.23Å; S141-Y145 WeakPolarHBondContact O-CB 3.24Å; S141-Y145 PolarHBondContact O-N 3.35Å
142Y95.9Very high94.2Very high0 Ų055.6 Ų55.60%025%0.253CS..Hα-helixtrans-63.8-46.2174.1162-93.9000111.1A138 W139 T140 D144 Y145 R146 V280 W283 D284 F287A138-Y142 PolarHBondContact O-N 2.93Å; W139-Y142 PolarHBondContact O-N 2.81Å; T140-Y142 VanDerWaalsContact C-N 3.29Å; T140-Y142 PolarHBondContact O-N 3.2Å; Y142-D144 VanDerWaalsContact C-N 3.34Å; Y142-D144 PolarHBondContact O-N 2.94Å; Y142-Y145 PolarHBondContact O-N 3.02Å; Y142-R146 HydrophobicContact CD2-CG 3.96Å; Y142-R146 HydrophobicContact CE2-CB 4.25Å; Y142-R146 HydrophobicContact CE2-CG 3.44Å; Y142-R146 VanDerWaalsContact CE2-CG 3.44Å; Y142-R146 PolarHBondContact O-N 3.44Å; Y142-V280 HydrophobicContact CD2-CB 4.44Å; Y142-V280 HydrophobicContact CD2-CG1 4.35Å; Y142-V280 HydrophobicContact CD2-CG2 4.32Å; Y142-V280 HydrophobicContact CE2-CG1 4.37Å; Y142-W283 HydrophobicContact CD1-CB 3.7Å; Y142-W283 HydrophobicContact CD1-CD2 4.22Å; Y142-W283 AromaticContact CD1-CG 3.75Å; Y142-W283 HydrophobicContact CD1-CG 3.75Å; Y142-W283 HydrophobicContact CD2-CB 3.57Å; Y142-W283 HydrophobicContact CD2-CG 4.15Å; Y142-W283 HydrophobicContact CE1-CB 3.5Å; Y142-W283 HydrophobicContact CE1-CD2 4.39Å; Y142-W283 AromaticContact CE1-CG 3.97Å; Y142-W283 HydrophobicContact CE1-CG 3.97Å; Y142-W283 HydrophobicContact CE2-CB 3.31Å; Y142-W283 HydrophobicContact CE2-CG 4.3Å; Y142-W283 HydrophobicContact CG-CB 3.75Å; Y142-W283 AromaticContact CG-CD1 3.85Å; Y142-W283 AromaticContact CG-CG 3.86Å; Y142-W283 HydrophobicContact CG-CG 3.86Å; Y142-W283 PolarHBondContact OH-O 3.44Å; Y142-D284 WeakPolarHBondContact CE2-OD1 3.41Å; Y142-D284 PolarHBondContact OH-OD1 3.13Å; Y142-F287 AromaticContact CE1-CD2 3.69Å; Y142-F287 HydrophobicContact CE1-CD2 3.69Å; Y142-F287 AromaticContact CE1-CE2 3.59Å; Y142-F287 HydrophobicContact CE1-CE2 3.59Å; Y142-F287 AromaticContact CZ-CD2 3.98Å; Y142-F287 WeakPolarHBondContact OH-CD2 3.33Å
143R95.9Very high94.1Very high1 Ų154.3 Ų54.30%0.00425%0.251CS..Hα-helixtrans-59.4-46.1179.6-64-50.8171.177.99.7111.2W139 T140 R146 N147 R148 K149 Y150 L154 E335W139-R143 WeakPolarHBondContact O-CG 3.48Å; W139-R143 PolarHBondContact O-N 2.62Å; W139-R143 VanDerWaalsContact O-N 3.1Å; T140-R143 WeakPolarHBondContact O-CB 3.44Å; T140-R143 PolarHBondContact O-N 3.27Å; T140-R143 VanDerWaalsContact O-N 3.09Å; R143-R146 CarbonylContact O-C 3.5Å; R143-R146 PolarHBondContact O-N 3.08Å; R143-N147 CarbonylContact O-C 3.55Å; R143-N147 WeakPolarHBondContact O-CA 3.4Å; R143-N147 PolarHBondContact O-N 2.83Å; R143-R148 HydrophobicContact CB-CB 4.48Å; R143-R148 WeakPolarHBondContact CB-O 3.44Å; R143-R148 PolarHBondContact O-N 2.76Å; R143-K149 PolarHBondContact NH1-O 3.25Å; R143-Y150 HydrophobicContact CB-CD1 3.62Å; R143-Y150 HydrophobicContact CB-CE1 3.42Å; R143-Y150 VanDerWaalsContact CB-CE1 3.42Å; R143-Y150 HydrophobicContact CG-CD1 3.86Å; R143-Y150 HydrophobicContact CG-CE1 4.09Å; R143-L154 HydrophobicContact CG-CD1 3.84Å; R143-E335 IonicContact CZ-OE1 2.74Å; R143-E335 IonicContact NH1-OE1 3.36Å; R143-E335 PolarHBondContact NH1-OE1 2.98Å; R143-E335 IonicContact NH2-OE1 2.71Å; R143-E335 PolarHBondContact NH2-OE1 3.14Å
144D95.3Very high94.2Very high97 Ų9752 Ų5252%0.51924%0.243SC..Hα-helixtrans-65.1-43177.9-59.6-21.6000111.2T140 Y142 R146 N147 Y150T140-D144 VanDerWaalsContact O-CG 3.22Å; T140-D144 PolarHBondContact O-N 3.37Å; Y142-D144 VanDerWaalsContact C-N 3.34Å; Y142-D144 PolarHBondContact O-N 2.94Å; D144-R146 VanDerWaalsContact C-N 3.33Å; D144-R146 PolarHBondContact O-N 3.2Å; D144-N147 PolarHBondContact O-N 3.33Å; D144-Y150 VanDerWaalsContact OD1-CE1 3.29Å; D144-Y150 WeakPolarHBondContact OD1-CE1 3.46Å; D144-Y150 VanDerWaalsContact OD1-CZ 3.28Å; D144-Y150 PolarHBondContact OD1-OH 3.29Å; D144-Y150 PolarHBondContact OD2-OH 2.84Å; D144-Y150 VanDerWaalsContact OD2-OH 3.1Å
145Y94.1Very high94.4Very high98 Ų9850.7 Ų50.738%0.38424%0.235SC..Hα-helixtrans-63.3-36.1179.3179-114.6000113.4S141 Y142 W276 V280S141-Y145 WeakPolarHBondContact O-CB 3.24Å; S141-Y145 PolarHBondContact O-N 3.35Å; Y142-Y145 PolarHBondContact O-N 3.02Å; Y145-W276 HydrophobicContact CD1-CZ2 4.28Å; Y145-W276 HydrophobicContact CG-CZ2 4.26Å; Y145-V280 HydrophobicContact CD1-CG1 4.33Å; Y145-V280 HydrophobicContact CD1-CG2 4.15Å; Y145-V280 HydrophobicContact CE1-CG1 4.13Å; Y145-V280 HydrophobicContact CE1-CG2 4.32Å
146R94.6Very high94.7Very high104 Ų10449.3 Ų49.339%0.39223%0.232SC..THydrogen-bonded Turntrans-98.16.4178.8-69.3-60-161.8-165.4-5.7113.9Y142 R143 D144 R148 V280 D284Y142-R146 HydrophobicContact CD2-CG 3.96Å; Y142-R146 HydrophobicContact CE2-CB 4.25Å; Y142-R146 HydrophobicContact CE2-CG 3.44Å; Y142-R146 VanDerWaalsContact CE2-CG 3.44Å; Y142-R146 PolarHBondContact O-N 3.44Å; R143-R146 CarbonylContact O-C 3.5Å; R143-R146 PolarHBondContact O-N 3.08Å; D144-R146 VanDerWaalsContact C-N 3.33Å; D144-R146 PolarHBondContact O-N 3.2Å; R146-R148 VanDerWaalsContact C-N 3.26Å; R146-R148 HydrophobicContact CB-CG 3.88Å; R146-R148 PolarHBondContact O-N 3.37Å; R146-V280 VanDerWaalsContact NH2-CG1 3.34Å; R146-D284 IonicContact CZ-OD1 3.49Å; R146-D284 IonicContact CZ-OD2 3.17Å; R146-D284 VanDerWaalsContact CZ-OD2 3.32Å; R146-D284 IonicContact NE-OD1 2.74Å; R146-D284 PolarHBondContact NE-OD1 3.43Å; R146-D284 IonicContact NE-OD2 2.63Å; R146-D284 PolarHBondContact NE-OD2 2.82Å; R146-D284 IonicContact NH2-OD1 3.23Å; R146-D284 IonicContact NH2-OD2 2.65Å; R146-D284 PolarHBondContact NH2-OD2 3.01Å
147N94.6Very high94.8Very high154 Ų15449.2 Ų49.282%0.82424%0.235SC*.THydrogen-bonded Turntrans50.543.3-174.4-16736.7000113.2R143 D144R143-N147 CarbonylContact O-C 3.55Å; R143-N147 WeakPolarHBondContact O-CA 3.4Å; R143-N147 PolarHBondContact O-N 2.83Å; D144-N147 PolarHBondContact O-N 3.33Å
148R93.3Very high95Very high65 Ų6551.6 Ų51.625%0.24525%0.246CC..PPolyproline II helixtrans-98.3142.8177.3-63.5-65.7-168.7155.15.8110R143 R146 F287 D291R143-R148 HydrophobicContact CB-CB 4.48Å; R143-R148 WeakPolarHBondContact CB-O 3.44Å; R143-R148 PolarHBondContact O-N 2.76Å; R146-R148 VanDerWaalsContact C-N 3.26Å; R146-R148 HydrophobicContact CB-CG 3.88Å; R146-R148 PolarHBondContact O-N 3.37Å; R148-F287 HydrophobicContact CB-CE1 4.46Å; R148-F287 HydrophobicContact CB-CZ 4.5Å; R148-F287 HydrophobicContact CG-CE1 4.47Å; R148-D291 IonicContact CZ-OD2 2.62Å; R148-D291 IonicContact NH1-OD1 2.69Å; R148-D291 IonicContact NH1-OD2 3.96Å; R148-D291 PolarHBondContact NH1-OD2 3.08Å; R148-D291 IonicContact NH2-OD2 3.01Å; R148-D291 PolarHBondContact NH2-OD2 3.01Å; R148-D291 VanDerWaalsContact NH2-OD2 3.12Å
149K93.8Very high95Very high122 Ų12256.6 Ų56.653%0.5327%0.273SS..PPolyproline II helixtrans-66.7156.4174.6-71.8-67.1-173.1173.30112.1R143 E327 A331R143-K149 PolarHBondContact NH1-O 3.25Å; K149-E327 HydrophobicContact CG-CB 3.84Å; K149-A331 HydrophobicContact CB-CB 4.1Å
150Y95.8Very high95.1Very high64 Ų6455.8 Ų55.825%0.25127%0.27SS..PPolyproline II helixtrans-85.5130.7173.3-65.13000108.5T140 R143 D144 L154 K155T140-Y150 HydrophobicContact CG2-CE2 4.24Å; R143-Y150 HydrophobicContact CB-CD1 3.62Å; R143-Y150 HydrophobicContact CB-CE1 3.42Å; R143-Y150 VanDerWaalsContact CB-CE1 3.42Å; R143-Y150 HydrophobicContact CG-CD1 3.86Å; R143-Y150 HydrophobicContact CG-CE1 4.09Å; D144-Y150 VanDerWaalsContact OD1-CE1 3.29Å; D144-Y150 WeakPolarHBondContact OD1-CE1 3.46Å; D144-Y150 VanDerWaalsContact OD1-CZ 3.28Å; D144-Y150 PolarHBondContact OD1-OH 3.29Å; D144-Y150 PolarHBondContact OD2-OH 2.84Å; D144-Y150 VanDerWaalsContact OD2-OH 3.1Å; Y150-L154 HydrophobicContact CD2-CB 4.28Å; Y150-L154 HydrophobicContact CG-CB 4.11Å; Y150-K155 WeakPolarHBondContact O-CE 3.36Å
151G95.1Very high95.1Very high0 Ų060.5 Ų60.50%029%0.288CS..  trans-82.4-177.616700000110.5L153 L154 K155 E335G151-L153 PolarHBondContact O-N 2.71Å; G151-L153 VanDerWaalsContact O-N 3.09Å; G151-L154 PolarHBondContact O-N 3.08Å; G151-L154 VanDerWaalsContact O-N 3.11Å; G151-K155 WeakPolarHBondContact O-CG 3.43Å; G151-K155 PolarHBondContact O-N 2.91Å; G151-K155 VanDerWaalsContact O-N 3.09Å; G151-E335 VanDerWaalsContact CA-OE1 3.27Å; G151-E335 WeakPolarHBondContact CA-OE1 3.47Å; G151-E335 WeakPolarHBondContact CA-OE2 3.33Å; G151-E335 PolarHBondContact N-OE1 3.18Å
152V94.8Very high95.1Very high11 Ų1163.6 Ų63.67%0.06730%0.302CS..THydrogen-bonded Turntrans-57.6-23.6-17772.20000114.1W160 N163 R164 L167 S332 E335 L474V152-W160 VanDerWaalsContact O-CD1 3.29Å; V152-N163 HydrophobicContact CG2-CB 4.42Å; V152-R164 HydrophobicContact CG2-CB 3.94Å; V152-L167 HydrophobicContact CB-CD1 3.73Å; V152-L167 HydrophobicContact CG1-CD1 3.82Å; V152-L167 HydrophobicContact CG2-CD1 4.09Å; V152-S332 PolarHBondContact N-OG 2.9Å; V152-E335 PolarHBondContact N-OE2 2.91Å; V152-L474 HydrophobicContact CG1-CD2 3.71Å
153L94.3Very high95.1Very high79 Ų7964 Ų6441%0.41430%0.304SS..THydrogen-bonded Turntrans-66.6-42.8177.7-175.857.3000111.2W139 G151 E335 R471W139-L153 HydrophobicContact CE3-CD2 4.07Å; W139-L153 HydrophobicContact CH2-CD2 4.41Å; W139-L153 HydrophobicContact CZ3-CD2 3.51Å; W139-L153 HydrophobicContact CZ3-CG 4.32Å; G151-L153 PolarHBondContact O-N 2.71Å; G151-L153 VanDerWaalsContact O-N 3.09Å; L153-E335 HydrophobicContact CB-CG 4.46Å; L153-E335 WeakPolarHBondContact CB-OE2 3.4Å; L153-E335 PolarHBondContact N-OE2 2.62Å; L153-R471 PolarHBondContact O-NH2 3.25Å
154L95.6Very high95.2Very high16 Ų1664.5 Ų64.58%0.08431%0.306CS..THydrogen-bonded Turntrans-93.9-19.5-172.4-62.2-178.5000113.6W139 T140 R143 Y150 G151W139-L154 HydrophobicContact CB-CD1 4.2Å; W139-L154 HydrophobicContact CB-CD2 4.03Å; W139-L154 HydrophobicContact CE3-CD2 4.03Å; T140-L154 HydrophobicContact CG2-CB 4.33Å; T140-L154 HydrophobicContact CG2-CD1 4.25Å; T140-L154 HydrophobicContact CG2-CD2 4.06Å; T140-L154 HydrophobicContact CG2-CG 4.46Å; R143-L154 HydrophobicContact CG-CD1 3.84Å; Y150-L154 HydrophobicContact CD2-CB 4.28Å; Y150-L154 HydrophobicContact CG-CB 4.11Å; G151-L154 PolarHBondContact O-N 3.08Å; G151-L154 VanDerWaalsContact O-N 3.11Å
155K95.6Very high95.2Very high22 Ų2263.5 Ų63.510%0.09630%0.303CS..  trans-66.2157.2174.5-75.4178.5170176.90112.4Y150 G151 D159 W160 N163 D328 R471Y150-K155 WeakPolarHBondContact O-CE 3.36Å; G151-K155 WeakPolarHBondContact O-CG 3.43Å; G151-K155 PolarHBondContact O-N 2.91Å; G151-K155 VanDerWaalsContact O-N 3.09Å; K155-D159 HydrophobicContact CD-CB 4.22Å; K155-D159 HydrophobicContact CG-CB 4.48Å; K155-W160 HydrophobicContact CB-CB 3.88Å; K155-N163 HydrophobicContact CD-CB 4.44Å; K155-N163 PolarHBondContact NZ-ND2 3.42Å; K155-N163 PolarHBondContact NZ-OD1 2.81Å; K155-D328 IonicContact NZ-OD1 3.32Å; K155-D328 PolarHBondContact NZ-OD1 3.39Å; K155-D328 IonicContact NZ-OD2 2.9Å; K155-R471 PolarHBondContact O-NH2 3.28Å
156N94.9Very high95.3Very high57 Ų5760.2 Ų60.231%0.30529%0.291SS..  trans-139.1171.2171.6-75.1-67.8000110.5W160 R471N156-W160 PolarHBondContact O-N 2.96Å; N156-R471 PolarHBondContact OD1-NH1 3.24Å; N156-R471 PolarHBondContact OD1-NH2 2.98Å
157G95.6Very high95.4Very high18 Ų1855.2 Ų55.219%0.18627%0.273CS..Hα-helixtrans63.5-142175.400000113.2Y130 W160 R161Y130-G157 VanDerWaalsContact CD1-O 3.32Å; Y130-G157 WeakPolarHBondContact CD1-O 3.42Å; G157-W160 PolarHBondContact O-N 3.26Å; G157-R161 PolarHBondContact O-N 3.01Å
158E95.8Very high95.4Very high121 Ų12150.1 Ų50.157%0.56525%0.245SC*.Hα-helixtrans-65.9-41.5-178.6-73.3-177177.400112.8Y130 W160 R161 N162Y130-E158 HydrophobicContact CE1-CG 3.86Å; Y130-E158 HydrophobicContact CE2-CG 4.12Å; Y130-E158 VanDerWaalsContact CZ-CG 3.46Å; Y130-E158 VanDerWaalsContact OH-CG 3.23Å; Y130-E158 WeakPolarHBondContact OH-CG 3.37Å; Y130-E158 PolarHBondContact OH-OE1 3.31Å; E158-W160 VanDerWaalsContact C-N 3.25Å; E158-W160 PolarHBondContact O-N 3.02Å; E158-R161 PolarHBondContact O-N 3.49Å; E158-N162 WeakPolarHBondContact O-CB 3.46Å; E158-N162 VanDerWaalsContact O-CG 3.24Å; E158-N162 PolarHBondContact O-N 2.89Å; E158-N162 PolarHBondContact O-ND2 2.93Å
159D94.6Very high95.4Very high106 Ų10653 Ų5357%0.56726%0.26SS*.Hα-helixtrans-56-43.7177.5-67.7-19.9000111.8K155 N163K155-D159 HydrophobicContact CD-CB 4.22Å; K155-D159 HydrophobicContact CG-CB 4.48Å; D159-N163 PolarHBondContact O-N 2.68Å; D159-N163 PolarHBondContact O-ND2 2.88Å
160W96.9Very high95.4Very high6 Ų648.6 Ų48.62%0.02324%0.241CC..Hα-helixtrans-60.6-50.1173.4165.477.9000111.3Y130 P131 V152 K155 N156 G157 E158 N162 N163 R164 P470 R471Y130-W160 HydrophobicContact CD1-CE3 4.44Å; P131-W160 HydrophobicContact CG-CH2 4.48Å; V152-W160 VanDerWaalsContact O-CD1 3.29Å; K155-W160 HydrophobicContact CB-CB 3.88Å; N156-W160 PolarHBondContact O-N 2.96Å; G157-W160 PolarHBondContact O-N 3.26Å; E158-W160 VanDerWaalsContact C-N 3.25Å; E158-W160 PolarHBondContact O-N 3.02Å; W160-N162 PolarHBondContact O-N 2.86Å; W160-N163 PolarHBondContact O-N 3.32Å; W160-R164 HydrophobicContact CD2-CB 4.5Å; W160-R164 HydrophobicContact CZ2-CB 4.17Å; W160-R164 HydrophobicContact CZ2-CG 3.8Å; W160-R164 WeakPolarHBondContact O-CB 3.33Å; W160-R164 PolarHBondContact O-N 3.16Å; W160-P470 HydrophobicContact CH2-CB 4.21Å; W160-R471 HydrophobicContact CH2-CB 4.08Å; W160-R471 HydrophobicContact CH2-CG 4.44Å; W160-R471 HydrophobicContact CZ2-CB 3.51Å; W160-R471 HydrophobicContact CZ2-CG 3.51Å
161R96.5Very high95.3Very high101 Ų10145.6 Ų45.638%0.38123%0.229SC..Hα-helixtrans-62.1-45.2-176.4-175.7179.8178.8-148.53.7111.4H129 Y130 G157 E158 N163 R164 V165H129-R161 PolarHBondContact CE1-NH2 2.78Å; H129-R161 PolarHBondContact NE2-NE 2.97Å; H129-R161 PolarHBondContact NE2-NH1 2.87Å; H129-R161 PolarHBondContact NE2-NH2 2.73Å; Y130-R161 HydrophobicContact CD1-CB 3.97Å; Y130-R161 HydrophobicContact CE1-CB 3.84Å; Y130-R161 VanDerWaalsContact CE1-CD 3.46Å; Y130-R161 HydrophobicContact CE1-CG 4.29Å; G157-R161 PolarHBondContact O-N 3.01Å; E158-R161 PolarHBondContact O-N 3.49Å; R161-N163 VanDerWaalsContact C-N 3.33Å; R161-N163 PolarHBondContact O-N 3.48Å; R161-R164 PolarHBondContact O-N 2.99Å; R161-V165 HydrophobicContact CG-CG2 4.21Å; R161-V165 WeakPolarHBondContact O-CG2 3.47Å; R161-V165 PolarHBondContact O-N 2.78Å
162N95.1Very high95.1Very high93 Ų9347.1 Ų47.150%0.49724%0.237SC..Hα-helixtrans-59.3-45.6-179.2-68.6-15.5000111E158 W160 I166E158-N162 WeakPolarHBondContact O-CB 3.46Å; E158-N162 VanDerWaalsContact O-CG 3.24Å; E158-N162 PolarHBondContact O-N 2.89Å; E158-N162 PolarHBondContact O-ND2 2.93Å; W160-N162 PolarHBondContact O-N 2.86Å; N162-I166 WeakPolarHBondContact O-CD1 3.41Å
163N95.9Very high94.9Very high8 Ų848.5 Ų48.54%0.04325%0.247CC..Hα-helixtrans-67.6-45.7176.1-78.6-116.8000111.3V152 K155 D159 W160 R161 V165 I166 L167V152-N163 HydrophobicContact CG2-CB 4.42Å; K155-N163 HydrophobicContact CD-CB 4.44Å; K155-N163 PolarHBondContact NZ-ND2 3.42Å; K155-N163 PolarHBondContact NZ-OD1 2.81Å; D159-N163 PolarHBondContact O-N 2.68Å; D159-N163 PolarHBondContact O-ND2 2.88Å; W160-N163 PolarHBondContact O-N 3.32Å; R161-N163 VanDerWaalsContact C-N 3.33Å; R161-N163 PolarHBondContact O-N 3.48Å; N163-V165 PolarHBondContact O-N 2.86Å; N163-I166 PolarHBondContact O-N 3.03Å; N163-L167 WeakPolarHBondContact O-CB 3.43Å; N163-L167 VanDerWaalsContact O-CG 3.28Å; N163-L167 WeakPolarHBondContact O-CG 3.33Å; N163-L167 PolarHBondContact O-N 3.28Å
164R96.9Very high94.6Very high13 Ų1350.2 Ų50.25%0.04926%0.255CS..Hα-helixtrans-62.9-41.7-175.5-177.361.4-174.4-109.2-0.9112.9V152 W160 R161 I166 N168 P470 Q472V152-R164 HydrophobicContact CG2-CB 3.94Å; W160-R164 HydrophobicContact CD2-CB 4.5Å; W160-R164 HydrophobicContact CZ2-CB 4.17Å; W160-R164 HydrophobicContact CZ2-CG 3.8Å; W160-R164 WeakPolarHBondContact O-CB 3.33Å; W160-R164 PolarHBondContact O-N 3.16Å; R161-R164 PolarHBondContact O-N 2.99Å; R164-I166 VanDerWaalsContact C-N 3.32Å; R164-I166 PolarHBondContact O-N 3.29Å; R164-N168 WeakPolarHBondContact CD-OD1 3.29Å; R164-N168 PolarHBondContact NE-OD1 2.89Å; R164-N168 WeakPolarHBondContact O-CB 3.47Å; R164-N168 PolarHBondContact O-N 3.33Å; R164-N168 PolarHBondContact O-ND2 3.09Å; R164-N168 PolarHBondContact O-OD1 2.98Å; R164-P470 PolarHBondContact NH2-O 2.89Å; R164-Q472 VanDerWaalsContact CZ-O 3.23Å; R164-Q472 PolarHBondContact NH1-O 3.48Å; R164-Q472 PolarHBondContact NH2-O 3.33Å
165V95.9Very high94.4Very high75 Ų7557.4 Ų57.446%0.45529%0.285SS..Hα-helixtrans-64-40-179.6168.60000111.3R161 N163R161-V165 HydrophobicContact CG-CG2 4.21Å; R161-V165 WeakPolarHBondContact O-CG2 3.47Å; R161-V165 PolarHBondContact O-N 2.78Å; N163-V165 PolarHBondContact O-N 2.86Å
166I95.8Very high94.2Very high29 Ų2957 Ų5715%0.14928%0.284CS..Hα-helixtrans-70-50.4178.1-64.2164.5000109.9N162 N163 R164 N168 K169 L318 L321 K323 L324N162-I166 WeakPolarHBondContact O-CD1 3.41Å; N163-I166 PolarHBondContact O-N 3.03Å; R164-I166 VanDerWaalsContact C-N 3.32Å; R164-I166 PolarHBondContact O-N 3.29Å; I166-N168 VanDerWaalsContact C-N 3.25Å; I166-N168 PolarHBondContact O-N 3.23Å; I166-K169 WeakPolarHBondContact O-CB 3.33Å; I166-K169 PolarHBondContact O-N 3.49Å; I166-L318 HydrophobicContact CG2-CD2 4.13Å; I166-L321 HydrophobicContact CG2-CD2 3.9Å; I166-K323 HydrophobicContact CD1-CB 3.81Å; I166-K323 WeakPolarHBondContact CD1-O 3.36Å; I166-K323 HydrophobicContact CG1-CB 4.39Å; I166-K323 HydrophobicContact CG2-CB 4.36Å; I166-L324 HydrophobicContact CB-CD1 4.17Å; I166-L324 HydrophobicContact CB-CG 4.26Å; I166-L324 HydrophobicContact CD1-CD2 3.61Å; I166-L324 HydrophobicContact CD1-CG 3.82Å; I166-L324 HydrophobicContact CG2-CD1 3.87Å; I166-L324 HydrophobicContact CG2-CG 3.97Å
167L96.2Very high94Very high0 Ų055.1 Ų55.10%027%0.274CS..Hα-helixtrans-59.2-34.1178.1-68.6167.4000113V152 N163 K169 E170 V171 L318 L324 L474V152-L167 HydrophobicContact CB-CD1 3.73Å; V152-L167 HydrophobicContact CG1-CD1 3.82Å; V152-L167 HydrophobicContact CG2-CD1 4.09Å; N163-L167 WeakPolarHBondContact O-CB 3.43Å; N163-L167 VanDerWaalsContact O-CG 3.28Å; N163-L167 WeakPolarHBondContact O-CG 3.33Å; N163-L167 PolarHBondContact O-N 3.28Å; L167-K169 PolarHBondContact O-N 2.89Å; L167-E170 PolarHBondContact O-N 3.48Å; L167-V171 WeakPolarHBondContact O-CB 3.49Å; L167-V171 WeakPolarHBondContact O-CG2 3.26Å; L167-V171 PolarHBondContact O-N 3.28Å; L167-L318 HydrophobicContact CD2-CD1 3.66Å; L167-L318 HydrophobicContact CD2-CD2 4.14Å; L167-L324 HydrophobicContact CD2-CD1 4.47Å; L167-L324 HydrophobicContact CG-CD1 4.4Å; L167-L474 HydrophobicContact CB-CD1 4.08Å; L167-L474 HydrophobicContact CB-CD2 4.02Å; L167-L474 HydrophobicContact CD1-CD2 3.89Å; L167-L474 HydrophobicContact CG-CD2 4.46Å
168N95.6Very high93.9Very high46 Ų4660.9 Ų60.925%0.24630%0.296CS..Hα-helixtrans-60.3-32.3177.1-77.9-9.5000112.7R164 I166 I172 S173R164-N168 WeakPolarHBondContact CD-OD1 3.29Å; R164-N168 PolarHBondContact NE-OD1 2.89Å; R164-N168 WeakPolarHBondContact O-CB 3.47Å; R164-N168 PolarHBondContact O-N 3.33Å; R164-N168 PolarHBondContact O-ND2 3.09Å; R164-N168 PolarHBondContact O-OD1 2.98Å; I166-N168 VanDerWaalsContact C-N 3.25Å; I166-N168 PolarHBondContact O-N 3.23Å; N168-I172 PolarHBondContact O-N 3.34Å; N168-I172 VanDerWaalsContact OD1-CD1 3.23Å; N168-I172 WeakPolarHBondContact OD1-CD1 3.46Å; N168-S173 PolarHBondContact O-N 3.49Å; N168-S173 VanDerWaalsContact O-N 3.09Å
169K93.5Very high93.9Very high125 Ų12557.8 Ų57.854%0.54328%0.283SS..Hα-helixtrans-66.6-40.9179.1-64.5179.3-179.8-178.50111.3I166 L167 S173I166-K169 WeakPolarHBondContact O-CB 3.33Å; I166-K169 PolarHBondContact O-N 3.49Å; L167-K169 PolarHBondContact O-N 2.89Å; K169-S173 WeakPolarHBondContact O-CB 3.45Å
170E93.9Very high93.9Very high31 Ų3152.8 Ų52.815%0.14526%0.256CS..Hα-helixtrans-89.4-18.3-176.3-56.2-49127.100113.9L167 M176 F180 V314 S317 L318L167-E170 PolarHBondContact O-N 3.48Å; E170-M176 WeakPolarHBondContact O-CE 3.35Å; E170-M176 WeakPolarHBondContact O-CG 3.48Å; E170-F180 WeakPolarHBondContact O-CZ 3.36Å; E170-V314 HydrophobicContact CB-CG1 4.32Å; E170-S317 WeakPolarHBondContact OE2-CB 3.24Å; E170-L318 HydrophobicContact CB-CD2 4.21Å; E170-L318 HydrophobicContact CB-CG 4.42Å; E170-L318 HydrophobicContact CG-CD2 3.63Å; E170-L318 HydrophobicContact CG-CG 4.09Å
171V93.1Very high94Very high0 Ų052.9 Ų52.90%026%0.257CS..Hα-helixtrans-119.5-35.6-172.7-175.50000113.8L167 V314 L336 L474 I478L167-V171 WeakPolarHBondContact O-CB 3.49Å; L167-V171 WeakPolarHBondContact O-CG2 3.26Å; L167-V171 PolarHBondContact O-N 3.28Å; V171-V314 HydrophobicContact CG2-CG1 3.76Å; V171-V314 HydrophobicContact CG2-CG2 4.39Å; V171-L336 HydrophobicContact CG2-CD1 4.21Å; V171-L474 HydrophobicContact CB-CD1 4.16Å; V171-L474 HydrophobicContact CB-CG 4.46Å; V171-L474 HydrophobicContact CG1-CD1 4.33Å; V171-L474 HydrophobicContact CG1-CG 4.21Å; V171-L474 WeakPolarHBondContact CG1-O 3.34Å; V171-I478 HydrophobicContact CG1-CD1 3.76Å; V171-I478 HydrophobicContact CG1-CG1 4.25Å
172I90.9Very high94Very high32 Ų3251.3 Ų51.316%0.16426%0.26CS..THydrogen-bonded Turntrans-101.6-30.8-173.2-66.2-171.7000112.6N168 M174 L474N168-I172 PolarHBondContact O-N 3.34Å; N168-I172 VanDerWaalsContact OD1-CD1 3.23Å; N168-I172 WeakPolarHBondContact OD1-CD1 3.46Å; I172-M174 PolarHBondContact O-N 3.28Å; I172-L474 HydrophobicContact CD1-CD1 3.99Å; I172-L474 HydrophobicContact CG1-CD1 4.04Å; I172-L474 VanDerWaalsContact CG1-O 3.29Å; I172-L474 WeakPolarHBondContact CG1-O 3.48Å
173S91.1Very high94.1Very high40 Ų4048.1 Ų48.128%0.2824%0.243SC..  trans-52.9137.7-175.1179.70000112.1N168 K169 K175 M176N168-S173 PolarHBondContact O-N 3.49Å; N168-S173 VanDerWaalsContact O-N 3.09Å; K169-S173 WeakPolarHBondContact O-CB 3.45Å; S173-K175 PolarHBondContact O-N 3.45Å; S173-K175 PolarHBondContact OG-N 2.94Å; S173-M176 WeakPolarHBondContact O-CB 3.49Å; S173-M176 PolarHBondContact O-N 3.29Å; S173-M176 VanDerWaalsContact O-N 3.09Å
174M88.1Confident94.2Very high116 Ų11647.8 Ų47.857%0.57124%0.241SC*.G310 helixtrans-60.5-28.3177.7-71.9-61.8-6600112.7I172 M176 L177 R477I172-M174 PolarHBondContact O-N 3.28Å; M174-M176 PolarHBondContact O-N 2.96Å; M174-L177 HydrophobicContact CE-CD1 3.57Å; M174-L177 WeakPolarHBondContact O-CB 3.42Å; M174-L177 PolarHBondContact O-N 3.26Å; M174-L177 HydrophobicContact SD-CD1 4.13Å; M174-R477 PolarHBondContact SD-NH2 2.84Å
175K89.6Confident94.2Very high166 Ų16648.2 Ų48.272%0.72225%0.245SC*.G310 helixtrans-62.6-24.9178.1-60.6-174178.6-172.90112.7S173 L177S173-K175 PolarHBondContact O-N 3.45Å; S173-K175 PolarHBondContact OG-N 2.94Å; K175-L177 PolarHBondContact O-N 2.96Å
176M91.8Very high94.3Very high13 Ų1348.4 Ų48.46%0.06424%0.243CC..G310 helixtrans-74.4-14.3-179.8-60.7-53.5-58.300113.3E170 S173 M174 E178 N179 F180 Y311E170-M176 WeakPolarHBondContact O-CE 3.35Å; E170-M176 WeakPolarHBondContact O-CG 3.48Å; S173-M176 WeakPolarHBondContact O-CB 3.49Å; S173-M176 PolarHBondContact O-N 3.29Å; S173-M176 VanDerWaalsContact O-N 3.09Å; M174-M176 PolarHBondContact O-N 2.96Å; M176-E178 VanDerWaalsContact C-N 3.27Å; M176-E178 PolarHBondContact O-N 3.11Å; M176-N179 HydrophobicContact CE-CB 4.44Å; M176-N179 PolarHBondContact O-N 2.78Å; M176-N179 VanDerWaalsContact O-N 3.09Å; M176-F180 HydrophobicContact CB-CD2 4.09Å; M176-F180 HydrophobicContact CB-CE1 4.12Å; M176-F180 HydrophobicContact CB-CE2 3.62Å; M176-F180 HydrophobicContact CB-CZ 3.65Å; M176-F180 HydrophobicContact CE-CE1 3.78Å; M176-F180 HydrophobicContact CE-CZ 4.01Å; M176-F180 HydrophobicContact CG-CZ 4.26Å; M176-F180 VanDerWaalsContact O-CG 3.26Å; M176-F180 WeakPolarHBondContact O-CG 3.49Å; M176-F180 PolarHBondContact O-N 3.27Å; M176-Y311 HydrophobicContact CE-CE2 3.64Å; M176-Y311 WeakPolarHBondContact CE-OH 3.49Å
177L91.7Very high94.4Very high19 Ų1947 Ų4710%0.09924%0.236CC..Hα-helixtrans-61.9-36.5179.1-74.5179000112.5M174 K175 N179 F180 V181 L381 R477 T481M174-L177 HydrophobicContact CE-CD1 3.57Å; M174-L177 WeakPolarHBondContact O-CB 3.42Å; M174-L177 PolarHBondContact O-N 3.26Å; M174-L177 HydrophobicContact SD-CD1 4.13Å; K175-L177 PolarHBondContact O-N 2.96Å; L177-N179 PolarHBondContact O-N 3.24Å; L177-F180 PolarHBondContact O-N 3.17Å; L177-V181 WeakPolarHBondContact O-CB 3.43Å; L177-V181 WeakPolarHBondContact O-CG2 3.31Å; L177-V181 PolarHBondContact O-N 3.13Å; L177-L381 HydrophobicContact CB-CD1 3.93Å; L177-R477 HydrophobicContact CD2-CG 3.87Å; L177-R477 HydrophobicContact CG-CG 4.39Å; L177-T481 HydrophobicContact CD2-CG2 4.25Å; L177-T481 WeakPolarHBondContact CD2-OG1 3.46Å
178E93.4Very high94.5Very high138 Ų13847.1 Ų47.165%0.64524%0.237SC*.Hα-helixtrans-60-31176.7-69.5171.6-168.200111.7M176 P182 L381M176-E178 VanDerWaalsContact C-N 3.27Å; M176-E178 PolarHBondContact O-N 3.11Å; E178-P182 VanDerWaalsContact O-CD 3.24Å; E178-P182 WeakPolarHBondContact O-CD 3.47Å; E178-L381 HydrophobicContact CG-CD2 3.79Å
179N94.5Very high94.6Very high57 Ų5749.5 Ų49.531%0.30525%0.246SC..Hα-helixtrans-87-36.6177.9-62-21.2000112.7M176 L177 Y311M176-N179 HydrophobicContact CE-CB 4.44Å; M176-N179 PolarHBondContact O-N 2.78Å; M176-N179 VanDerWaalsContact O-N 3.09Å; L177-N179 PolarHBondContact O-N 3.24Å; N179-Y311 HydrophobicContact CB-CD1 3.73Å; N179-Y311 HydrophobicContact CB-CD2 3.92Å; N179-Y311 HydrophobicContact CB-CE1 3.96Å; N179-Y311 HydrophobicContact CB-CE2 4.16Å; N179-Y311 HydrophobicContact CB-CG 3.71Å; N179-Y311 WeakPolarHBondContact ND2-CD2 3.29Å
180F96.3Very high94.8Very high0 Ų046.3 Ų46.30%024%0.236CC..Hα-helixtrans-80-34.2-175.4-62.6-14000113.3E170 M176 L177 L183 L184 V226 Y311 V314 I478E170-F180 WeakPolarHBondContact O-CZ 3.36Å; M176-F180 HydrophobicContact CB-CD2 4.09Å; M176-F180 HydrophobicContact CB-CE1 4.12Å; M176-F180 HydrophobicContact CB-CE2 3.62Å; M176-F180 HydrophobicContact CB-CZ 3.65Å; M176-F180 HydrophobicContact CE-CE1 3.78Å; M176-F180 HydrophobicContact CE-CZ 4.01Å; M176-F180 HydrophobicContact CG-CZ 4.26Å; M176-F180 VanDerWaalsContact O-CG 3.26Å; M176-F180 WeakPolarHBondContact O-CG 3.49Å; M176-F180 PolarHBondContact O-N 3.27Å; L177-F180 PolarHBondContact O-N 3.17Å; F180-L183 PolarHBondContact O-N 3.07Å; F180-L184 HydrophobicContact CB-CD1 4.27Å; F180-L184 WeakPolarHBondContact O-CB 3.03Å; F180-L184 VanDerWaalsContact O-CG 3.29Å; F180-L184 WeakPolarHBondContact O-CG 3.1Å; F180-L184 PolarHBondContact O-N 3Å; F180-V226 HydrophobicContact CD1-CG1 3.62Å; F180-V226 HydrophobicContact CD2-CG1 4.41Å; F180-V226 HydrophobicContact CE1-CG1 3.58Å; F180-V226 HydrophobicContact CE2-CG1 4.37Å; F180-V226 HydrophobicContact CG-CG1 4.05Å; F180-V226 HydrophobicContact CZ-CG1 3.96Å; F180-Y311 HydrophobicContact CD1-CE1 4.24Å; F180-Y311 HydrophobicContact CE1-CE1 4.06Å; F180-V314 HydrophobicContact CE1-CG2 3.88Å; F180-V314 HydrophobicContact CZ-CG2 3.9Å; F180-I478 HydrophobicContact CD2-CG1 4.11Å; F180-I478 HydrophobicContact CE2-CD1 4.41Å; F180-I478 HydrophobicContact CE2-CG1 3.77Å; F180-I478 HydrophobicContact CZ-CG1 4.37Å
181V97.4Very high95Very high8 Ų845 Ų455%0.04823%0.229CC..Hα-helixtrans-60.6-49.4-174.4166.80000112L177 L183 L184 D185 M380 L381 L384 T481 I485L177-V181 WeakPolarHBondContact O-CB 3.43Å; L177-V181 WeakPolarHBondContact O-CG2 3.31Å; L177-V181 PolarHBondContact O-N 3.13Å; V181-L183 PolarHBondContact O-N 3.15Å; V181-L184 PolarHBondContact O-N 3.18Å; V181-D185 VanDerWaalsContact O-CB 3.23Å; V181-D185 WeakPolarHBondContact O-CB 3.4Å; V181-D185 PolarHBondContact O-N 3.21Å; V181-M380 HydrophobicContact CG1-CB 3.78Å; V181-M380 HydrophobicContact CG1-CG 3.58Å; V181-L381 HydrophobicContact CG2-CD1 3.99Å; V181-L384 HydrophobicContact CG2-CD1 3.66Å; V181-T481 HydrophobicContact CG2-CG2 3.88Å; V181-I485 HydrophobicContact CB-CD1 4.45Å; V181-I485 HydrophobicContact CG1-CD1 4.16Å; V181-I485 HydrophobicContact CG2-CD1 4.33Å
182P96.6Very high95.2Very high68 Ų6845.6 Ų45.644%0.44223%0.233SC..Hα-helixtrans-57.9-46.5178.5-24.834.9000112.7E178 L184 D185 D186E178-P182 VanDerWaalsContact O-CD 3.24Å; E178-P182 WeakPolarHBondContact O-CD 3.47Å; P182-L184 PolarHBondContact O-N 3.41Å; P182-D185 PolarHBondContact O-N 2.92Å; P182-D186 PolarHBondContact O-N 3.32Å
183L97Very high95.5Very high27 Ų2746.8 Ų46.814%0.14125%0.247CC..Hα-helixtrans-59.8-43.5179.6-63.6178.2000112.6F180 V181 V187 Y311F180-L183 PolarHBondContact O-N 3.07Å; V181-L183 PolarHBondContact O-N 3.15Å; L183-V187 WeakPolarHBondContact O-CG2 3.29Å; L183-V187 PolarHBondContact O-N 2.8Å; L183-Y311 HydrophobicContact CD1-CD1 3.99Å; L183-Y311 HydrophobicContact CD1-CE1 4.35Å
184L98.1Very high95.7Very high0 Ų045.8 Ų45.80%024%0.237CC..Hα-helixtrans-75.7-32.2179.5-68.2171.5000112.4F180 V181 P182 G188 V226 T481 E482 I485F180-L184 HydrophobicContact CB-CD1 4.27Å; F180-L184 WeakPolarHBondContact O-CB 3.03Å; F180-L184 VanDerWaalsContact O-CG 3.29Å; F180-L184 WeakPolarHBondContact O-CG 3.1Å; F180-L184 PolarHBondContact O-N 3Å; V181-L184 PolarHBondContact O-N 3.18Å; P182-L184 PolarHBondContact O-N 3.41Å; L184-G188 PolarHBondContact O-N 3.05Å; L184-V226 HydrophobicContact CD1-CG2 4.16Å; L184-V226 HydrophobicContact CD2-CG2 3.67Å; L184-V226 HydrophobicContact CG-CG2 3.73Å; L184-T481 HydrophobicContact CD1-CG2 3.7Å; L184-E482 HydrophobicContact CD1-CB 4.25Å; L184-E482 HydrophobicContact CD2-CB 4.05Å; L184-E482 HydrophobicContact CD2-CG 4.24Å; L184-I485 HydrophobicContact CB-CD1 3.8Å
185D98.1Very high96.1Very high23 Ų2340.3 Ų40.312%0.12321%0.211CC..Hα-helixtrans-65.2-46176.9-163.657.6000111.1V181 P182 V187 G188 Q189 M380 I485 H489V181-D185 VanDerWaalsContact O-CB 3.23Å; V181-D185 WeakPolarHBondContact O-CB 3.4Å; V181-D185 PolarHBondContact O-N 3.21Å; P182-D185 PolarHBondContact O-N 2.92Å; D185-V187 VanDerWaalsContact C-N 3.33Å; D185-V187 PolarHBondContact O-N 3.4Å; D185-G188 CarbonylContact O-C 3.54Å; D185-G188 WeakPolarHBondContact O-CA 3.38Å; D185-G188 PolarHBondContact O-N 3.15Å; D185-Q189 WeakPolarHBondContact O-CG 3.21Å; D185-Q189 PolarHBondContact O-N 3.07Å; D185-Q189 PolarHBondContact OD2-NE2 2.88Å; D185-M380 WeakPolarHBondContact OD1-CE 3.41Å; D185-I485 HydrophobicContact CB-CG2 4.45Å; D185-H489 IonicContact OD1-CD2 2.73Å; D185-H489 IonicContact OD1-CE1 3.82Å; D185-H489 PolarHBondContact OD1-CE1 2.67Å; D185-H489 IonicContact OD1-NE2 3.66Å; D185-H489 PolarHBondContact OD1-NE2 3.18Å
186D97.4Very high96.4Very high79 Ų7935.1 Ų35.142%0.42219%0.189SC..Hα-helixtrans-56.5-46.1175.8-72.8-12.2000111.8P182 G188 Q189 D190P182-D186 PolarHBondContact O-N 3.32Å; D186-G188 VanDerWaalsContact C-N 3.29Å; D186-G188 PolarHBondContact O-N 3.03Å; D186-Q189 PolarHBondContact O-N 3.29Å; D186-D190 PolarHBondContact O-N 2.89Å
187V98.3Very high96.6Very high0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-65.3-35176.8-177.60000111.3L183 D185 F191 Y218 E221 S222L183-V187 WeakPolarHBondContact O-CG2 3.29Å; L183-V187 PolarHBondContact O-N 2.8Å; D185-V187 VanDerWaalsContact C-N 3.33Å; D185-V187 PolarHBondContact O-N 3.4Å; V187-F191 PolarHBondContact O-N 2.87Å; V187-Y218 HydrophobicContact CB-CE2 4.38Å; V187-Y218 HydrophobicContact CG1-CD2 3.77Å; V187-Y218 HydrophobicContact CG1-CE2 3.7Å; V187-E221 HydrophobicContact CB-CG 4.49Å; V187-E221 HydrophobicContact CG1-CB 3.86Å; V187-E221 HydrophobicContact CG1-CG 3.72Å; V187-E221 HydrophobicContact CG2-CG 3.88Å; V187-S222 WeakPolarHBondContact CG1-OG 3.3Å
188G98Very high96.7Very high1 Ų140.2 Ų40.21%0.0121%0.21CC..Hα-helixtrans-62.2-46.8173.400000112.9L184 D185 D186 F191 V192L184-G188 PolarHBondContact O-N 3.05Å; D185-G188 CarbonylContact O-C 3.54Å; D185-G188 WeakPolarHBondContact O-CA 3.38Å; D185-G188 PolarHBondContact O-N 3.15Å; D186-G188 VanDerWaalsContact C-N 3.29Å; D186-G188 PolarHBondContact O-N 3.03Å; G188-F191 WeakPolarHBondContact O-CB 3.31Å; G188-F191 PolarHBondContact O-N 2.8Å; G188-V192 PolarHBondContact O-N 3.29Å; G188-V192 VanDerWaalsContact O-N 3.09Å
189Q97.9Very high96.8Very high96 Ų9633.9 Ų33.945%0.44918%0.18SC..Hα-helixtrans-63-42.8176.7-66.11792900111.5D185 D186 F191 V192 A193D185-Q189 WeakPolarHBondContact O-CG 3.21Å; D185-Q189 PolarHBondContact O-N 3.07Å; D185-Q189 PolarHBondContact OD2-NE2 2.88Å; D186-Q189 PolarHBondContact O-N 3.29Å; Q189-F191 VanDerWaalsContact C-N 3.31Å; Q189-F191 PolarHBondContact O-N 2.82Å; Q189-V192 WeakPolarHBondContact O-CB 3.41Å; Q189-V192 PolarHBondContact O-N 3.35Å; Q189-A193 PolarHBondContact O-N 3.39Å
190D97.9Very high96.8Very high59 Ų5938.2 Ų38.232%0.31620%0.199SC..Hα-helixtrans-62.6-38.3176.4-76.6-28.5000112.3D186 A193 R194 R231 M235D186-D190 PolarHBondContact O-N 2.89Å; D190-A193 PolarHBondContact O-N 2.78Å; D190-R194 VanDerWaalsContact O-CB 3.28Å; D190-R194 WeakPolarHBondContact O-CB 3.23Å; D190-R194 PolarHBondContact O-N 3.1Å; D190-R231 IonicContact OD2-CZ 3.45Å; D190-R231 IonicContact OD2-NH1 3.97Å; D190-R231 PolarHBondContact OD2-NH1 3.08Å; D190-R231 IonicContact OD2-NH2 3.72Å; D190-R231 PolarHBondContact OD2-NH2 3.28Å; D190-M235 HydrophobicContact CB-CB 3.9Å; D190-M235 HydrophobicContact CB-CG 3.88Å
191F97.9Very high96.7Very high3 Ų345 Ų451%0.01323%0.225CC..Hα-helixtrans-62.6-44.9174.5-170.9-89.7000111.4V187 G188 Q189 R194 V195 E214 L215 Y218 M235 F486 M490V187-F191 PolarHBondContact O-N 2.87Å; G188-F191 WeakPolarHBondContact O-CB 3.31Å; G188-F191 PolarHBondContact O-N 2.8Å; Q189-F191 VanDerWaalsContact C-N 3.31Å; Q189-F191 PolarHBondContact O-N 2.82Å; F191-R194 WeakPolarHBondContact O-CB 3.35Å; F191-R194 PolarHBondContact O-N 3.15Å; F191-V195 HydrophobicContact CD1-CG2 3.94Å; F191-V195 HydrophobicContact CE1-CG2 3.62Å; F191-V195 HydrophobicContact CZ-CG2 4.23Å; F191-V195 WeakPolarHBondContact O-CG2 3.16Å; F191-V195 PolarHBondContact O-N 3.39Å; F191-E214 HydrophobicContact CE2-CB 4.09Å; F191-E214 HydrophobicContact CZ-CB 4.4Å; F191-L215 HydrophobicContact CZ-CD2 4.27Å; F191-Y218 HydrophobicContact CB-CD2 3.89Å; F191-Y218 HydrophobicContact CB-CE2 4.3Å; F191-Y218 AromaticContact CD2-CD2 3.91Å; F191-Y218 HydrophobicContact CD2-CD2 3.91Å; F191-Y218 HydrophobicContact CD2-CG 4.15Å; F191-Y218 HydrophobicContact CG-CD2 4.06Å; F191-M235 HydrophobicContact CB-SD 4.3Å; F191-M235 HydrophobicContact CD2-SD 3.94Å; F191-F486 HydrophobicContact CD1-CD2 4.43Å; F191-F486 AromaticContact CD1-CE2 3.59Å; F191-F486 HydrophobicContact CD1-CE2 3.59Å; F191-F486 HydrophobicContact CD1-CZ 4.31Å; F191-F486 HydrophobicContact CD2-CE2 4.41Å; F191-F486 AromaticContact CE1-CE2 3.51Å; F191-F486 HydrophobicContact CE1-CE2 3.51Å; F191-F486 AromaticContact CE1-CZ 3.83Å; F191-F486 HydrophobicContact CE1-CZ 3.83Å; F191-F486 HydrophobicContact CE2-CE2 4.33Å; F191-F486 HydrophobicContact CG-CE2 4.06Å; F191-F486 AromaticContact CZ-CE2 3.9Å; F191-F486 HydrophobicContact CZ-CE2 3.9Å; F191-F486 HydrophobicContact CZ-CZ 4.19Å; F191-M490 HydrophobicContact CD1-SD 3.93Å; F191-M490 HydrophobicContact CE1-SD 3.7Å
192V98Very high96.4Very high13 Ų1346.7 Ų46.78%0.07924%0.237CC..Hα-helixtrans-59.5-48.9175.2168.20000111.2G188 Q189 R194 V195 H196 H489 N493 F494G188-V192 PolarHBondContact O-N 3.29Å; G188-V192 VanDerWaalsContact O-N 3.09Å; Q189-V192 WeakPolarHBondContact O-CB 3.41Å; Q189-V192 PolarHBondContact O-N 3.35Å; V192-R194 VanDerWaalsContact C-N 3.27Å; V192-R194 PolarHBondContact O-N 3.36Å; V192-V195 PolarHBondContact O-N 3.44Å; V192-V195 VanDerWaalsContact O-N 3.13Å; V192-H196 PolarHBondContact O-CD2 3.36Å; V192-H196 PolarHBondContact O-N 3.16Å; V192-H489 HydrophobicContact CG2-CB 3.7Å; V192-N493 HydrophobicContact CG1-CB 3.94Å; V192-N493 VanDerWaalsContact CG1-CG 3.49Å; V192-F494 HydrophobicContact CB-CE2 4.32Å; V192-F494 HydrophobicContact CG1-CE2 4.04Å; V192-F494 HydrophobicContact CG1-CZ 4.03Å; V192-F494 HydrophobicContact CG2-CE2 4.13Å
193A96.9Very high96.2Very high56 Ų5646.9 Ų46.946%0.46325%0.25SS..Hα-helixtrans-58.2-42.2178.400000111.5Q189 D190 H196 K197Q189-A193 PolarHBondContact O-N 3.39Å; D190-A193 PolarHBondContact O-N 2.78Å; A193-H196 PolarHBondContact O-N 3.17Å; A193-K197 PolarHBondContact O-N 2.92Å
194R95.3Very high95.8Very high19 Ų1951.7 Ų51.77%0.07227%0.272CS..Hα-helixtrans-62.1-44.8175.3-176.9179.8-179.986-3.7112.2D190 F191 V192 K197 K198 E214 M235 L236D190-R194 VanDerWaalsContact O-CB 3.28Å; D190-R194 WeakPolarHBondContact O-CB 3.23Å; D190-R194 PolarHBondContact O-N 3.1Å; F191-R194 WeakPolarHBondContact O-CB 3.35Å; F191-R194 PolarHBondContact O-N 3.15Å; V192-R194 VanDerWaalsContact C-N 3.27Å; V192-R194 PolarHBondContact O-N 3.36Å; R194-K197 WeakPolarHBondContact O-CB 3.46Å; R194-K197 PolarHBondContact O-N 2.92Å; R194-K198 WeakPolarHBondContact O-CG 3.32Å; R194-K198 PolarHBondContact O-N 3.34Å; R194-E214 IonicContact CZ-OE2 3.04Å; R194-E214 IonicContact NE-OE2 2.81Å; R194-E214 PolarHBondContact NE-OE2 3.07Å; R194-E214 IonicContact NH2-OE1 2.84Å; R194-E214 IonicContact NH2-OE2 3.47Å; R194-E214 PolarHBondContact NH2-OE2 2.92Å; R194-M235 PolarHBondContact NH1-O 3.47Å; R194-L236 PolarHBondContact NH1-O 3.43Å
195V96.3Very high95.6Very high2 Ų257.1 Ų57.11%0.01230%0.301CS..Hα-helixtrans-61.6-46.1176.51730000110.8F191 V192 K197 K198 I199 W207 F494 L522F191-V195 HydrophobicContact CD1-CG2 3.94Å; F191-V195 HydrophobicContact CE1-CG2 3.62Å; F191-V195 HydrophobicContact CZ-CG2 4.23Å; F191-V195 WeakPolarHBondContact O-CG2 3.16Å; F191-V195 PolarHBondContact O-N 3.39Å; V192-V195 PolarHBondContact O-N 3.44Å; V192-V195 VanDerWaalsContact O-N 3.13Å; V195-K197 VanDerWaalsContact C-N 3.3Å; V195-K197 PolarHBondContact O-N 2.69Å; V195-K198 PolarHBondContact O-N 2.71Å; V195-K198 VanDerWaalsContact O-N 3.12Å; V195-I199 HydrophobicContact CG1-CD1 3.79Å; V195-I199 HydrophobicContact CG1-CG1 4.41Å; V195-I199 WeakPolarHBondContact O-CG1 3.34Å; V195-I199 PolarHBondContact O-N 3.12Å; V195-W207 HydrophobicContact CG1-CE3 4.26Å; V195-W207 HydrophobicContact CG2-CZ3 4.12Å; V195-F494 HydrophobicContact CB-CE1 4.27Å; V195-F494 HydrophobicContact CB-CE2 3.91Å; V195-F494 HydrophobicContact CB-CZ 3.61Å; V195-F494 HydrophobicContact CG1-CD1 4.05Å; V195-F494 HydrophobicContact CG1-CD2 4.25Å; V195-F494 HydrophobicContact CG1-CE1 3.53Å; V195-F494 HydrophobicContact CG1-CE2 3.73Å; V195-F494 HydrophobicContact CG1-CG 4.4Å; V195-F494 HydrophobicContact CG1-CZ 3.35Å; V195-F494 HydrophobicContact CG2-CE2 4.48Å; V195-L522 HydrophobicContact CG1-CB 4.25Å; V195-L522 HydrophobicContact CG1-CD1 3.62Å; V195-L522 HydrophobicContact CG2-CD1 4.1Å
196H96.3Very high95.5Very high56 Ų5659.6 Ų59.626%0.25931%0.311SS..Hα-helixtrans-57.4-43.4175.4-81.6-66.4000112.1V192 A193 K198 I199 Q200 F494V192-H196 PolarHBondContact O-CD2 3.36Å; V192-H196 PolarHBondContact O-N 3.16Å; A193-H196 PolarHBondContact O-N 3.17Å; H196-K198 VanDerWaalsContact C-N 3.33Å; H196-K198 PolarHBondContact O-N 3.07Å; H196-I199 WeakPolarHBondContact O-CB 3.45Å; H196-I199 PolarHBondContact O-N 3.01Å; H196-Q200 WeakPolarHBondContact O-CG 3.48Å; H196-Q200 PolarHBondContact O-N 2.83Å; H196-F494 AromaticContact CD2-CE1 3.99Å; H196-F494 AromaticContact CD2-CZ 3.61Å; H196-F494 AromaticContact CE1-CE1 3.51Å; H196-F494 AromaticContact CE1-CZ 3.89Å; H196-F494 AromaticContact ND1-CE1 3.81Å; H196-F494 AromaticContact NE2-CE1 3.61Å; H196-F494 AromaticContact NE2-CZ 3.49Å; H196-F494 WeakPolarHBondContact NE2-CZ 3.26Å
197K94.8Very high95.4Very high79 Ų7957.3 Ų57.334%0.34330%0.296SS..Hα-helixtrans-62.4-38.8176.4-167.2178.2-169.6-176.80112.6A193 R194 V195 Q200 R201 D237A193-K197 PolarHBondContact O-N 2.92Å; R194-K197 WeakPolarHBondContact O-CB 3.46Å; R194-K197 PolarHBondContact O-N 2.92Å; V195-K197 VanDerWaalsContact C-N 3.3Å; V195-K197 PolarHBondContact O-N 2.69Å; K197-Q200 PolarHBondContact O-N 3.27Å; K197-R201 VanDerWaalsContact CE-NH2 3.32Å; K197-R201 WeakPolarHBondContact O-CB 3.5Å; K197-R201 VanDerWaalsContact O-CG 3.29Å; K197-R201 WeakPolarHBondContact O-CG 3.15Å; K197-R201 PolarHBondContact O-N 3.24Å; K197-D237 WeakPolarHBondContact CE-OD2 3.28Å; K197-D237 IonicContact NZ-OD1 2.82Å; K197-D237 PolarHBondContact NZ-OD1 3.17Å; K197-D237 IonicContact NZ-OD2 3.31Å; K197-D237 PolarHBondContact NZ-OD2 2.63Å
198K94.7Very high95.2Very high60 Ų6059.7 Ų59.726%0.26131%0.311SS..Hα-helixtrans-67.1-38.9174.7-67.7-72.7-175.6175.90111.9R194 V195 H196 R201 S202 W207R194-K198 WeakPolarHBondContact O-CG 3.32Å; R194-K198 PolarHBondContact O-N 3.34Å; V195-K198 PolarHBondContact O-N 2.71Å; V195-K198 VanDerWaalsContact O-N 3.12Å; H196-K198 VanDerWaalsContact C-N 3.33Å; H196-K198 PolarHBondContact O-N 3.07Å; K198-R201 PolarHBondContact O-N 2.82Å; K198-S202 PolarHBondContact O-N 3.05Å; K198-W207 HydrophobicContact CB-CD2 3.64Å; K198-W207 HydrophobicContact CB-CE3 3.99Å; K198-W207 HydrophobicContact CB-CG 3.93Å; K198-W207 HydrophobicContact CB-CH2 4.37Å; K198-W207 HydrophobicContact CB-CZ2 4.1Å; K198-W207 HydrophobicContact CB-CZ3 4.35Å; K198-W207 HydrophobicContact CD-CZ2 4.07Å; K198-W207 HydrophobicContact CG-CD2 4.33Å; K198-W207 HydrophobicContact CG-CH2 4.05Å; K198-W207 HydrophobicContact CG-CZ2 3.87Å; K198-W207 HydrophobicContact CG-CZ3 4.4Å
199I95.6Very high95Very high6 Ų661.4 Ų61.43%0.03132%0.321CS..Hα-helixtrans-63.7-45.2174.1-70.7166.1000111.1V195 H196 S202 W207 F494 P524V195-I199 HydrophobicContact CG1-CD1 3.79Å; V195-I199 HydrophobicContact CG1-CG1 4.41Å; V195-I199 WeakPolarHBondContact O-CG1 3.34Å; V195-I199 PolarHBondContact O-N 3.12Å; H196-I199 WeakPolarHBondContact O-CB 3.45Å; H196-I199 PolarHBondContact O-N 3.01Å; I199-S202 PolarHBondContact O-N 3.37Å; I199-S202 PolarHBondContact O-OG 2.91Å; I199-W207 HydrophobicContact CG1-CB 3.58Å; I199-F494 HydrophobicContact CD1-CD1 3.95Å; I199-F494 HydrophobicContact CD1-CE1 3.68Å; I199-P524 HydrophobicContact CG2-CG 4.42Å
200Q94.2Very high94.8Very high148 Ų14859.2 Ų59.269%0.69231%0.313SS*.Hα-helixtrans-61.6-46.2176.9-72.6171.1-3.300111.2H196 K197 S202 G203H196-Q200 WeakPolarHBondContact O-CG 3.48Å; H196-Q200 PolarHBondContact O-N 2.83Å; K197-Q200 PolarHBondContact O-N 3.27Å; Q200-S202 PolarHBondContact O-N 3.31Å; Q200-G203 PolarHBondContact O-N 3.47Å
201R93.6Very high94.5Very high143 Ų14356.4 Ų56.454%0.5430%0.298SS..Hα-helixtrans-63.7-25177.6-76.4174.4169163.4-4.5113.8K197 K198 G203 D237K197-R201 VanDerWaalsContact CE-NH2 3.32Å; K197-R201 WeakPolarHBondContact O-CB 3.5Å; K197-R201 VanDerWaalsContact O-CG 3.29Å; K197-R201 WeakPolarHBondContact O-CG 3.15Å; K197-R201 PolarHBondContact O-N 3.24Å; K198-R201 PolarHBondContact O-N 2.82Å; R201-G203 VanDerWaalsContact C-N 3.28Å; R201-G203 PolarHBondContact O-N 2.85Å; R201-D237 IonicContact CZ-OD1 2.71Å; R201-D237 IonicContact CZ-OD2 2.83Å; R201-D237 IonicContact NH1-OD1 3.54Å; R201-D237 PolarHBondContact NH1-OD1 3.48Å; R201-D237 IonicContact NH1-OD2 2.75Å; R201-D237 IonicContact NH2-OD1 3.64Å; R201-D237 IonicContact NH2-OD2 3.6Å; R201-D237 PolarHBondContact NH2-OD2 3.39Å
202S92.8Very high94.3Very high43 Ų4357.2 Ų57.230%0.30130%0.304SS..Hα-helixtrans-73-22.2178.283.90000112.9K198 I199 Q200 Q204 K206K198-S202 PolarHBondContact O-N 3.05Å; I199-S202 PolarHBondContact O-N 3.37Å; I199-S202 PolarHBondContact O-OG 2.91Å; Q200-S202 PolarHBondContact O-N 3.31Å; S202-Q204 PolarHBondContact O-N 2.84Å; S202-Q204 PolarHBondContact OG-N 3.27Å; S202-K206 WeakPolarHBondContact CB-O 3.38Å; S202-K206 PolarHBondContact OG-O 3.48Å
203G90.9Very high93.9Very high71 Ų7162.3 Ų62.373%0.73233%0.326SS*.THydrogen-bonded Turntrans68.25.2-175.700000115Q200 R201Q200-G203 PolarHBondContact O-N 3.47Å; R201-G203 VanDerWaalsContact C-N 3.28Å; R201-G203 PolarHBondContact O-N 2.85Å
204Q89.6Confident93.7Very high129 Ų12960.4 Ų60.460%0.60331%0.308SS*.SBendtrans-114.79.9-172.5-64.7-177.711.400114S202 K206S202-Q204 PolarHBondContact O-N 2.84Å; S202-Q204 PolarHBondContact OG-N 3.27Å; Q204-K206 HydrophobicContact CB-CG 3.9Å; Q204-K206 PolarHBondContact O-N 3.04Å
205N93.3Very high93.7Very high113 Ų11359.5 Ų59.560%0.60431%0.305SS*.SBendtrans50.129-172.1-162.837.2000113.5P524N205-P524 VanDerWaalsContact O-CD 3.27Å; N205-P524 WeakPolarHBondContact O-CD 3.22Å; N205-P524 WeakPolarHBondContact OD1-CG 3.48Å
206K95Very high93.6Very high76 Ų7660.8 Ų60.833%0.3331%0.31SS..  trans-157.5156.7176.869-173.6175.61790109.3S202 Q204 T521 L522 K523S202-K206 WeakPolarHBondContact CB-O 3.38Å; S202-K206 PolarHBondContact OG-O 3.48Å; Q204-K206 HydrophobicContact CB-CG 3.9Å; Q204-K206 PolarHBondContact O-N 3.04Å; K206-T521 HydrophobicContact CB-CG2 4.01Å; K206-T521 HydrophobicContact CD-CG2 4.23Å; K206-T521 HydrophobicContact CG-CG2 4.41Å; K206-L522 CarbonylContact C-O 3.58Å; K206-L522 VanDerWaalsContact CA-O 3.3Å; K206-L522 WeakPolarHBondContact CA-O 3.4Å; K206-K523 HydrophobicContact CB-CG 3.84Å
207W95.6Very high93.5Very high31 Ų3158.8 Ų58.812%0.11730%0.301CS..EExtended strand (participates in β ladder)trans-131.8120.617217849.7000110V195 K198 I199 T209 L211 E214 T521 L522V195-W207 HydrophobicContact CG1-CE3 4.26Å; V195-W207 HydrophobicContact CG2-CZ3 4.12Å; K198-W207 HydrophobicContact CB-CD2 3.64Å; K198-W207 HydrophobicContact CB-CE3 3.99Å; K198-W207 HydrophobicContact CB-CG 3.93Å; K198-W207 HydrophobicContact CB-CH2 4.37Å; K198-W207 HydrophobicContact CB-CZ2 4.1Å; K198-W207 HydrophobicContact CB-CZ3 4.35Å; K198-W207 HydrophobicContact CD-CZ2 4.07Å; K198-W207 HydrophobicContact CG-CD2 4.33Å; K198-W207 HydrophobicContact CG-CH2 4.05Å; K198-W207 HydrophobicContact CG-CZ2 3.87Å; K198-W207 HydrophobicContact CG-CZ3 4.4Å; I199-W207 HydrophobicContact CG1-CB 3.58Å; W207-T209 HydrophobicContact CD2-CG2 3.86Å; W207-T209 VanDerWaalsContact CE2-CG2 3.44Å; W207-T209 HydrophobicContact CE3-CG2 4.04Å; W207-T209 HydrophobicContact CH2-CG2 3.59Å; W207-T209 HydrophobicContact CZ2-CG2 3.33Å; W207-T209 HydrophobicContact CZ3-CG2 3.91Å; W207-L211 HydrophobicContact CE3-CD2 4.42Å; W207-L211 HydrophobicContact CH2-CD2 4.05Å; W207-L211 HydrophobicContact CZ3-CD2 3.69Å; W207-E214 HydrophobicContact CH2-CG 3.97Å; W207-T521 CarbonylContact O-C 3.3Å; W207-T521 WeakPolarHBondContact O-CA 3.38Å; W207-L522 HydrophobicContact CE3-CD1 4.05Å; W207-L522 HydrophobicContact CZ3-CD1 4.25Å; W207-L522 PolarHBondContact N-O 3.47Å; W207-L522 PolarHBondContact O-N 3.21Å
208T95.1Very high93.6Very high49 Ų4955 Ų5530%0.30128%0.284SS..EExtended strand (participates in β ladder)trans-110.2119.7178.9-55.40000109.1Q499 I519 L520 T521T208-Q499 HydrophobicContact CG2-CB 4.31Å; T208-Q499 HydrophobicContact CG2-CG 4.19Å; T208-I519 HydrophobicContact CG2-CG2 3.67Å; T208-L520 VanDerWaalsContact CA-O 3.28Å; T208-L520 WeakPolarHBondContact CA-O 3.49Å; T208-T521 WeakPolarHBondContact CG2-OG1 3.48Å; T208-T521 WeakPolarHBondContact OG1-CG2 3.43Å; T208-T521 PolarHBondContact OG1-OG1 3.45Å
209T94.1Very high93.7Very high38 Ų3852.2 Ų52.223%0.23327%0.272CS..EExtended strand (participates in β ladder)trans-155.9166.9-178.4-169.60000111.5W207 L211 I519 L520W207-T209 HydrophobicContact CD2-CG2 3.86Å; W207-T209 VanDerWaalsContact CE2-CG2 3.44Å; W207-T209 HydrophobicContact CE3-CG2 4.04Å; W207-T209 HydrophobicContact CH2-CG2 3.59Å; W207-T209 HydrophobicContact CZ2-CG2 3.33Å; W207-T209 HydrophobicContact CZ3-CG2 3.91Å; T209-L211 HydrophobicContact CG2-CD2 3.56Å; T209-L211 HydrophobicContact CG2-CG 4.08Å; T209-I519 WeakPolarHBondContact O-CA 3.46Å; T209-L520 PolarHBondContact N-O 3.41Å; T209-L520 PolarHBondContact O-N 3.47Å
210D93.1Very high93.6Very high49 Ų4952 Ų5226%0.26227%0.271SS..EExtended strand (participates in β ladder)trans-71.4120.3154.1-172.9-10.5000108.4S212 P517 I519D210-S212 WeakPolarHBondContact OD1-CB 3.13Å; D210-S212 PolarHBondContact OD1-N 3.33Å; D210-S212 PolarHBondContact OD1-OG 3.44Å; D210-P517 WeakPolarHBondContact OD2-CB 3.34Å; D210-I519 HydrophobicContact CB-CD1 3.66Å
211L92.4Very high93.7Very high0 Ų044.9 Ų44.90%024%0.238CC..  trans-86.2-6179.4-72.2177.8000113.1W207 T209 Q213 E214 L215 L349 L352 L520 L522W207-L211 HydrophobicContact CE3-CD2 4.42Å; W207-L211 HydrophobicContact CH2-CD2 4.05Å; W207-L211 HydrophobicContact CZ3-CD2 3.69Å; T209-L211 HydrophobicContact CG2-CD2 3.56Å; T209-L211 HydrophobicContact CG2-CG 4.08Å; L211-Q213 PolarHBondContact O-N 3.15Å; L211-E214 PolarHBondContact O-N 3.14Å; L211-E214 VanDerWaalsContact O-N 3.07Å; L211-L215 HydrophobicContact CB-CD1 4.28Å; L211-L215 HydrophobicContact CB-CG 4.43Å; L211-L215 WeakPolarHBondContact O-CG 3.49Å; L211-L215 PolarHBondContact O-N 3.37Å; L211-L349 HydrophobicContact CB-CD1 4.23Å; L211-L352 HydrophobicContact CD1-CD1 3.92Å; L211-L520 HydrophobicContact CD1-CB 4.14Å; L211-L520 HydrophobicContact CD1-CD1 4.02Å; L211-L522 HydrophobicContact CD1-CD1 4.08Å; L211-L522 HydrophobicContact CD1-CD2 4.36Å; L211-L522 HydrophobicContact CD1-CG 4.35Å; L211-L522 HydrophobicContact CD2-CD1 4.1Å
212S91.8Very high93.9Very high20 Ų2038.1 Ų38.114%0.1421%0.212CC..Hα-helixtrans-54-50.4-175.2-52.10000112D210 E214 L215 F216 L349D210-S212 WeakPolarHBondContact OD1-CB 3.13Å; D210-S212 PolarHBondContact OD1-N 3.33Å; D210-S212 PolarHBondContact OD1-OG 3.44Å; S212-E214 VanDerWaalsContact C-N 3.29Å; S212-E214 PolarHBondContact O-N 3.09Å; S212-L215 PolarHBondContact O-N 2.94Å; S212-F216 WeakPolarHBondContact O-CD2 3.41Å; S212-F216 WeakPolarHBondContact O-CG 3.27Å; S212-F216 PolarHBondContact O-N 2.96Å; S212-L349 VanDerWaalsContact OG-CD2 3.27Å; S212-L349 WeakPolarHBondContact OG-CD2 3.48Å
213Q89.7Confident94Very high120 Ų12036.2 Ų36.256%0.56120%0.199SC*.Hα-helixtrans-64.2-33.6-179.8-69-171.4-1.400113.5L211 K217L211-Q213 PolarHBondContact O-N 3.15Å; Q213-K217 VanDerWaalsContact O-CG 3.28Å; Q213-K217 WeakPolarHBondContact O-CG 3.39Å; Q213-K217 PolarHBondContact O-N 3.29Å
214E93.2Very high94.1Very high16 Ų1632.9 Ų32.98%0.07516%0.164CC..Hα-helixtrans-77.3-34.5-178.6-60.5-70.4127.400110.3F191 R194 W207 L211 S212 K217 Y218F191-E214 HydrophobicContact CE2-CB 4.09Å; F191-E214 HydrophobicContact CZ-CB 4.4Å; R194-E214 IonicContact CZ-OE2 3.04Å; R194-E214 IonicContact NE-OE2 2.81Å; R194-E214 PolarHBondContact NE-OE2 3.07Å; R194-E214 IonicContact NH2-OE1 2.84Å; R194-E214 IonicContact NH2-OE2 3.47Å; R194-E214 PolarHBondContact NH2-OE2 2.92Å; W207-E214 HydrophobicContact CH2-CG 3.97Å; L211-E214 PolarHBondContact O-N 3.14Å; L211-E214 VanDerWaalsContact O-N 3.07Å; S212-E214 VanDerWaalsContact C-N 3.29Å; S212-E214 PolarHBondContact O-N 3.09Å; E214-K217 PolarHBondContact O-N 3.12Å; E214-K217 IonicContact OE1-NZ 3.5Å; E214-K217 PolarHBondContact OE1-NZ 2.86Å; E214-Y218 WeakPolarHBondContact O-CB 3.45Å; E214-Y218 PolarHBondContact O-N 3.35Å
215L96.4Very high94.3Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-71.2-34.5172.4-66.5173.7000112.7F191 L211 S212 K217 Y218 A219 S345 L348 L349 L352 F486F191-L215 HydrophobicContact CZ-CD2 4.27Å; L211-L215 HydrophobicContact CB-CD1 4.28Å; L211-L215 HydrophobicContact CB-CG 4.43Å; L211-L215 WeakPolarHBondContact O-CG 3.49Å; L211-L215 PolarHBondContact O-N 3.37Å; S212-L215 PolarHBondContact O-N 2.94Å; L215-K217 VanDerWaalsContact C-N 3.34Å; L215-Y218 PolarHBondContact O-N 3.5Å; L215-A219 WeakPolarHBondContact O-CB 3.32Å; L215-A219 PolarHBondContact O-N 3.18Å; L215-S345 WeakPolarHBondContact O-CB 3.4Å; L215-L348 HydrophobicContact CD1-CB 4.29Å; L215-L348 HydrophobicContact CD2-CB 4.18Å; L215-L348 HydrophobicContact CD2-CD1 4.35Å; L215-L349 HydrophobicContact CD1-CB 3.63Å; L215-L349 HydrophobicContact CD1-CD1 3.87Å; L215-L349 HydrophobicContact CD1-CG 4.33Å; L215-L352 HydrophobicContact CD1-CD1 4.26Å; L215-F486 HydrophobicContact CD2-CE1 4.1Å; L215-F486 HydrophobicContact CD2-CE2 3.77Å; L215-F486 HydrophobicContact CD2-CZ 3.39Å
216F93.6Very high94.5Very high30 Ų3021.4 Ų21.413%0.13211%0.107CC..Hα-helixtrans-62.6-42.6171.3-70.5-52.7000111.6S212 L220 I247 V341 D342 S345 I346S212-F216 WeakPolarHBondContact O-CD2 3.41Å; S212-F216 WeakPolarHBondContact O-CG 3.27Å; S212-F216 PolarHBondContact O-N 2.96Å; F216-L220 VanDerWaalsContact O-CB 3.3Å; F216-L220 WeakPolarHBondContact O-CB 3.32Å; F216-L220 PolarHBondContact O-N 3.33Å; F216-I247 HydrophobicContact CB-CD1 4.36Å; F216-I247 HydrophobicContact CB-CG2 3.96Å; F216-I247 HydrophobicContact CG-CG2 4.26Å; F216-V341 HydrophobicContact CB-CG1 4.46Å; F216-V341 HydrophobicContact CD1-CG1 4.21Å; F216-D342 HydrophobicContact CE1-CB 4.26Å; F216-D342 WeakPolarHBondContact CE1-OD1 3.5Å; F216-S345 WeakPolarHBondContact CD1-OG 3.3Å; F216-S345 VanDerWaalsContact CE1-OG 3.23Å; F216-S345 WeakPolarHBondContact CE1-OG 3.34Å; F216-I346 HydrophobicContact CE1-CD1 4.27Å; F216-I346 HydrophobicContact CE1-CG1 4.31Å; F216-I346 HydrophobicContact CZ-CD1 3.97Å; F216-I346 HydrophobicContact CZ-CG1 4.48Å
217K94.3Very high94.4Very high14 Ų1417.8 Ų17.86%0.0619%0.092CC..Hα-helixtrans-63.1-43.9174.6-70.4166.7-163.5171.50111.5Q213 E214 L215 L220 E221 L234 M235 I239 I247Q213-K217 VanDerWaalsContact O-CG 3.28Å; Q213-K217 WeakPolarHBondContact O-CG 3.39Å; Q213-K217 PolarHBondContact O-N 3.29Å; E214-K217 PolarHBondContact O-N 3.12Å; E214-K217 IonicContact OE1-NZ 3.5Å; E214-K217 PolarHBondContact OE1-NZ 2.86Å; L215-K217 VanDerWaalsContact C-N 3.34Å; K217-L220 PolarHBondContact O-N 2.91Å; K217-E221 WeakPolarHBondContact O-CB 3.3Å; K217-E221 PolarHBondContact O-N 3.47Å; K217-L234 HydrophobicContact CB-CB 4.12Å; K217-M235 HydrophobicContact CB-CE 3.68Å; K217-M235 WeakPolarHBondContact O-CE 3.43Å; K217-I239 HydrophobicContact CD-CD1 3.68Å; K217-I247 HydrophobicContact CG-CD1 4.05Å
218Y96.8Very high94.2Very high0 Ų016.4 Ų16.40%09%0.086CC..Hα-helixtrans-58.8-54.4177174.7-100000111V187 F191 E214 L215 L220 E221 S222 L348 E482 F486V187-Y218 HydrophobicContact CB-CE2 4.38Å; V187-Y218 HydrophobicContact CG1-CD2 3.77Å; V187-Y218 HydrophobicContact CG1-CE2 3.7Å; F191-Y218 HydrophobicContact CB-CD2 3.89Å; F191-Y218 HydrophobicContact CB-CE2 4.3Å; F191-Y218 AromaticContact CD2-CD2 3.91Å; F191-Y218 HydrophobicContact CD2-CD2 3.91Å; F191-Y218 HydrophobicContact CD2-CG 4.15Å; F191-Y218 HydrophobicContact CG-CD2 4.06Å; E214-Y218 WeakPolarHBondContact O-CB 3.45Å; E214-Y218 PolarHBondContact O-N 3.35Å; L215-Y218 PolarHBondContact O-N 3.5Å; Y218-L220 VanDerWaalsContact C-N 3.31Å; Y218-L220 PolarHBondContact O-N 3.01Å; Y218-E221 PolarHBondContact O-N 2.77Å; Y218-S222 WeakPolarHBondContact O-CB 3.45Å; Y218-S222 PolarHBondContact O-N 2.88Å; Y218-S222 PolarHBondContact O-OG 2.87Å; Y218-S222 VanDerWaalsContact O-OG 3.12Å; Y218-L348 HydrophobicContact CD1-CD1 3.99Å; Y218-L348 HydrophobicContact CE1-CD1 3.92Å; Y218-E482 HydrophobicContact CE1-CG 3.79Å; Y218-E482 PolarHBondContact OH-O 3.25Å; Y218-F486 AromaticContact CD1-CD2 3.8Å; Y218-F486 HydrophobicContact CD1-CD2 3.8Å; Y218-F486 HydrophobicContact CD1-CE2 4.24Å; Y218-F486 HydrophobicContact CD2-CD2 4.13Å; Y218-F486 HydrophobicContact CD2-CE2 4.47Å; Y218-F486 HydrophobicContact CE1-CB 3.86Å; Y218-F486 AromaticContact CE1-CD2 3.51Å; Y218-F486 HydrophobicContact CE1-CD2 3.51Å; Y218-F486 HydrophobicContact CE1-CE2 4.38Å; Y218-F486 AromaticContact CE1-CG 3.96Å; Y218-F486 HydrophobicContact CE1-CG 3.96Å; Y218-F486 AromaticContact CE2-CD2 3.85Å; Y218-F486 HydrophobicContact CE2-CD2 3.85Å; Y218-F486 HydrophobicContact CG-CD2 4.12Å; Y218-F486 HydrophobicContact CG-CE2 4.31Å; Y218-F486 AromaticContact CZ-CD2 3.56Å
219A96.8Very high93.9Very high0 Ų015.9 Ų15.90%09%0.09CC..Hα-helixtrans-59.2-41.4-179.500000112.3L215 S222 V223 V341 T344L215-A219 WeakPolarHBondContact O-CB 3.32Å; L215-A219 PolarHBondContact O-N 3.18Å; A219-S222 PolarHBondContact O-N 3.47Å; A219-V223 WeakPolarHBondContact O-CB 3.32Å; A219-V223 VanDerWaalsContact O-CG1 3.27Å; A219-V223 WeakPolarHBondContact O-CG1 3.4Å; A219-V223 PolarHBondContact O-N 3.49Å; A219-V341 WeakPolarHBondContact CB-O 3.17Å; A219-T344 VanDerWaalsContact CB-OG1 3.31Å; A219-T344 WeakPolarHBondContact CB-OG1 3.13Å
220L94Very high93.4Very high1 Ų115.5 Ų15.51%0.0059%0.086CC..Hα-helixtrans-65.2-44.4176.5178.755.9000112.5F216 K217 Y218 S224 L232 L234 F246 I247 M337 V341F216-L220 VanDerWaalsContact O-CB 3.3Å; F216-L220 WeakPolarHBondContact O-CB 3.32Å; F216-L220 PolarHBondContact O-N 3.33Å; K217-L220 PolarHBondContact O-N 2.91Å; Y218-L220 VanDerWaalsContact C-N 3.31Å; Y218-L220 PolarHBondContact O-N 3.01Å; L220-S224 WeakPolarHBondContact O-CB 3.33Å; L220-S224 PolarHBondContact O-N 3.29Å; L220-L232 HydrophobicContact CD1-CD1 4.1Å; L220-L232 HydrophobicContact CD2-CD1 4.38Å; L220-L232 HydrophobicContact CG-CD1 3.86Å; L220-L234 HydrophobicContact CB-CD1 3.69Å; L220-L234 HydrophobicContact CD2-CD1 3.5Å; L220-L234 VanDerWaalsContact CD2-CD1 3.5Å; L220-L234 HydrophobicContact CG-CD1 3.45Å; L220-L234 VanDerWaalsContact CG-CD1 3.45Å; L220-F246 HydrophobicContact CD1-CD1 3.55Å; L220-F246 HydrophobicContact CD1-CE1 3.4Å; L220-F246 VanDerWaalsContact CD1-CE1 3.4Å; L220-F246 HydrophobicContact CD2-CD1 3.71Å; L220-F246 HydrophobicContact CD2-CE1 4.4Å; L220-F246 HydrophobicContact CG-CD1 4.32Å; L220-I247 HydrophobicContact CD2-CD1 3.93Å; L220-I247 HydrophobicContact CD2-CG1 3.52Å; L220-M337 HydrophobicContact CD1-CE 3.35Å; L220-M337 HydrophobicContact CD1-SD 4.22Å; L220-V341 HydrophobicContact CB-CG1 4.34Å; L220-V341 HydrophobicContact CB-CG2 4.07Å; L220-V341 HydrophobicContact CD1-CG2 3.79Å; L220-V341 HydrophobicContact CG-CG2 4.48Å
221E95.4Very high93.3Very high0 Ų018 Ų180%09%0.092CC..Hα-helixtrans-62.6-45176.2-169.675.1-163.600110.7V187 K217 Y218 S224 S225 R231 L232 G233 L234 M235V187-E221 HydrophobicContact CB-CG 4.49Å; V187-E221 HydrophobicContact CG1-CB 3.86Å; V187-E221 HydrophobicContact CG1-CG 3.72Å; V187-E221 HydrophobicContact CG2-CG 3.88Å; K217-E221 WeakPolarHBondContact O-CB 3.3Å; K217-E221 PolarHBondContact O-N 3.47Å; Y218-E221 PolarHBondContact O-N 2.77Å; E221-S224 PolarHBondContact O-N 2.88Å; E221-S225 WeakPolarHBondContact O-CB 3.39Å; E221-S225 PolarHBondContact O-N 2.86Å; E221-R231 WeakPolarHBondContact OE1-CA 3.49Å; E221-R231 WeakPolarHBondContact OE1-CB 3.48Å; E221-R231 IonicContact OE1-CZ 2.7Å; E221-R231 IonicContact OE1-NE 2.77Å; E221-R231 PolarHBondContact OE1-NE 3.39Å; E221-R231 IonicContact OE1-NH2 3.57Å; E221-R231 PolarHBondContact OE1-NH2 3.45Å; E221-L232 PolarHBondContact OE1-N 3.05Å; E221-L232 WeakPolarHBondContact OE2-CB 3.24Å; E221-L232 PolarHBondContact OE2-N 3.41Å; E221-G233 PolarHBondContact OE1-N 3.42Å; E221-G233 PolarHBondContact OE2-N 3.45Å; E221-G233 VanDerWaalsContact OE2-N 3.08Å; E221-L234 HydrophobicContact CB-CB 4.35Å; E221-L234 HydrophobicContact CB-CD1 4.27Å; E221-L234 VanDerWaalsContact OE2-CB 3.24Å; E221-L234 WeakPolarHBondContact OE2-CB 3.1Å; E221-L234 WeakPolarHBondContact OE2-CG 3.45Å; E221-L234 PolarHBondContact OE2-N 3.04Å; E221-M235 HydrophobicContact CB-CE 4.17Å; E221-M235 HydrophobicContact CG-CG 4.43Å
222S97.2Very high93.1Very high0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-62-52.3179-69.60000112.6V187 Y218 A219 S224 S225 V226V187-S222 WeakPolarHBondContact CG1-OG 3.3Å; Y218-S222 WeakPolarHBondContact O-CB 3.45Å; Y218-S222 PolarHBondContact O-N 2.88Å; Y218-S222 PolarHBondContact O-OG 2.87Å; Y218-S222 VanDerWaalsContact O-OG 3.12Å; A219-S222 PolarHBondContact O-N 3.47Å; S222-S224 VanDerWaalsContact C-N 3.32Å; S222-S224 PolarHBondContact O-N 3.44Å; S222-S225 PolarHBondContact O-N 3.4Å; S222-V226 WeakPolarHBondContact O-CG2 3.49Å; S222-V226 PolarHBondContact O-N 3.29Å; S222-V226 VanDerWaalsContact O-N 3.07Å
223V95.1Very high93Very high4 Ų419.7 Ų19.72%0.02410%0.103CC..Hα-helixtrans-67.6-35.5-179.974.40000111.2A219 V226 L227 M337 V341A219-V223 WeakPolarHBondContact O-CB 3.32Å; A219-V223 VanDerWaalsContact O-CG1 3.27Å; A219-V223 WeakPolarHBondContact O-CG1 3.4Å; A219-V223 PolarHBondContact O-N 3.49Å; V223-V226 PolarHBondContact O-N 2.64Å; V223-L227 HydrophobicContact CG2-CD1 3.66Å; V223-L227 HydrophobicContact CG2-CG 3.96Å; V223-L227 VanDerWaalsContact O-CB 3.26Å; V223-L227 WeakPolarHBondContact O-CB 3.4Å; V223-L227 VanDerWaalsContact O-CG 3.22Å; V223-L227 WeakPolarHBondContact O-CG 3.32Å; V223-L227 PolarHBondContact O-N 3.14Å; V223-M337 HydrophobicContact CG1-SD 3.77Å; V223-V341 HydrophobicContact CG1-CG2 4.49Å
224S93.4Very high93Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-62.1-49173.6-1740000111.1L220 E221 S222 V226 L227 Y228 E230 L232L220-S224 WeakPolarHBondContact O-CB 3.33Å; L220-S224 PolarHBondContact O-N 3.29Å; E221-S224 PolarHBondContact O-N 2.88Å; S222-S224 VanDerWaalsContact C-N 3.32Å; S222-S224 PolarHBondContact O-N 3.44Å; S224-V226 VanDerWaalsContact C-N 3.31Å; S224-V226 PolarHBondContact O-N 3.27Å; S224-L227 PolarHBondContact O-N 3.17Å; S224-Y228 WeakPolarHBondContact O-CA 3.4Å; S224-Y228 VanDerWaalsContact O-CB 3.24Å; S224-Y228 WeakPolarHBondContact O-CB 3.34Å; S224-Y228 PolarHBondContact O-N 2.87Å; S224-E230 PolarHBondContact OG-O 3.43Å; S224-L232 VanDerWaalsContact OG-CG 3.32Å; S224-L232 WeakPolarHBondContact OG-CG 3.36Å
225S94.5Very high92.9Very high2 Ų214 Ų141%0.0148%0.077CC..Hα-helixtrans-58.8-43.7-179.7-176.30000111.4E221 S222 G229 E230E221-S225 WeakPolarHBondContact O-CB 3.39Å; E221-S225 PolarHBondContact O-N 2.86Å; S222-S225 PolarHBondContact O-N 3.4Å; S225-G229 WeakPolarHBondContact O-CA 3.48Å; S225-G229 PolarHBondContact O-N 3.38Å; S225-E230 WeakPolarHBondContact CA-O 3.15Å; S225-E230 PolarHBondContact N-O 3.24Å
226V96.3Very high92.5Very high0 Ų019.4 Ų19.40%011%0.105CC..Hα-helixtrans-69.5-44.1177.6172.60000112.9F180 L184 S222 V223 S224 G313 V314 I478F180-V226 HydrophobicContact CD1-CG1 3.62Å; F180-V226 HydrophobicContact CD2-CG1 4.41Å; F180-V226 HydrophobicContact CE1-CG1 3.58Å; F180-V226 HydrophobicContact CE2-CG1 4.37Å; F180-V226 HydrophobicContact CG-CG1 4.05Å; F180-V226 HydrophobicContact CZ-CG1 3.96Å; L184-V226 HydrophobicContact CD1-CG2 4.16Å; L184-V226 HydrophobicContact CD2-CG2 3.67Å; L184-V226 HydrophobicContact CG-CG2 3.73Å; S222-V226 WeakPolarHBondContact O-CG2 3.49Å; S222-V226 PolarHBondContact O-N 3.29Å; S222-V226 VanDerWaalsContact O-N 3.07Å; V223-V226 PolarHBondContact O-N 2.64Å; S224-V226 VanDerWaalsContact C-N 3.31Å; S224-V226 PolarHBondContact O-N 3.27Å; V226-G313 WeakPolarHBondContact O-CA 3.47Å; V226-V314 HydrophobicContact CG1-CG2 4.18Å; V226-V314 PolarHBondContact O-N 2.95Å; V226-I478 HydrophobicContact CG1-CD1 3.64Å; V226-I478 HydrophobicContact CG1-CG1 3.99Å; V226-I478 HydrophobicContact CG1-CG2 4.37Å; V226-I478 HydrophobicContact CG2-CG2 4.49Å
227L94.6Very high91.9Very high0 Ų022.1 Ų22.10%012%0.121CC..Hα-helixtrans-75.7-36-175.1-69.1-177.7000112.9V223 S224 V314 L315 V333 L336 M337 I478V223-L227 HydrophobicContact CG2-CD1 3.66Å; V223-L227 HydrophobicContact CG2-CG 3.96Å; V223-L227 VanDerWaalsContact O-CB 3.26Å; V223-L227 WeakPolarHBondContact O-CB 3.4Å; V223-L227 VanDerWaalsContact O-CG 3.22Å; V223-L227 WeakPolarHBondContact O-CG 3.32Å; V223-L227 PolarHBondContact O-N 3.14Å; S224-L227 PolarHBondContact O-N 3.17Å; L227-V314 HydrophobicContact CD2-CB 4Å; L227-V314 HydrophobicContact CD2-CG1 4.27Å; L227-V314 HydrophobicContact CD2-CG2 4.16Å; L227-V314 PolarHBondContact O-N 3.07Å; L227-L315 VanDerWaalsContact O-CB 3.31Å; L227-L315 WeakPolarHBondContact O-CB 3.45Å; L227-L315 PolarHBondContact O-N 3.35Å; L227-V333 HydrophobicContact CB-CG1 4.26Å; L227-V333 HydrophobicContact CD1-CG1 4.2Å; L227-L336 HydrophobicContact CD1-CB 3.82Å; L227-L336 HydrophobicContact CD2-CB 4.13Å; L227-L336 HydrophobicContact CD2-CD1 4.15Å; L227-M337 HydrophobicContact CD1-CB 3.83Å; L227-M337 HydrophobicContact CD1-SD 4.34Å; L227-I478 HydrophobicContact CD2-CD1 4.44Å
228Y91.4Very high91.4Very high2 Ų229.6 Ų29.61%0.00815%0.15CC..Hα-helixtrans-115.9-12.9-167.5-63.9-51.6000113.2S224 E230 C293 I294 I297 L315 V333 M337S224-Y228 WeakPolarHBondContact O-CA 3.4Å; S224-Y228 VanDerWaalsContact O-CB 3.24Å; S224-Y228 WeakPolarHBondContact O-CB 3.34Å; S224-Y228 PolarHBondContact O-N 2.87Å; Y228-E230 PolarHBondContact O-N 2.92Å; Y228-C293 HydrophobicContact CD1-CB 3.94Å; Y228-C293 HydrophobicContact CD2-CB 3.77Å; Y228-C293 HydrophobicContact CE1-CB 3.87Å; Y228-C293 HydrophobicContact CE2-CB 3.7Å; Y228-C293 HydrophobicContact CG-CB 3.89Å; Y228-I294 HydrophobicContact CE1-CG1 3.97Å; Y228-I297 VanDerWaalsContact CA-CD1 3.5Å; Y228-I297 HydrophobicContact CD1-CD1 3.47Å; Y228-I297 VanDerWaalsContact CD1-CD1 3.47Å; Y228-I297 HydrophobicContact CG-CD1 3.94Å; Y228-I297 WeakPolarHBondContact O-CD1 3.47Å; Y228-L315 HydrophobicContact CD1-CB 4.12Å; Y228-L315 HydrophobicContact CD1-CD2 3.98Å; Y228-L315 HydrophobicContact CE1-CB 4.47Å; Y228-L315 HydrophobicContact CE1-CD2 4.12Å; Y228-V333 HydrophobicContact CD1-CG1 4.37Å; Y228-V333 HydrophobicContact CE1-CG1 3.49Å; Y228-V333 VanDerWaalsContact CE1-CG1 3.49Å; Y228-M337 HydrophobicContact CD2-CE 4.34Å; Y228-M337 HydrophobicContact CD2-SD 4.15Å; Y228-M337 HydrophobicContact CE2-CE 3.81Å; Y228-M337 HydrophobicContact CE2-CG 4.14Å; Y228-M337 HydrophobicContact CE2-SD 3.49Å; Y228-M337 WeakPolarHBondContact CE2-SD 3.34Å
229G88.4Confident90.6Very high37 Ų3731.2 Ų31.238%0.38116%0.158SC..SBendtrans68.510-171.800000113S225S225-G229 WeakPolarHBondContact O-CA 3.48Å; S225-G229 PolarHBondContact O-N 3.38Å
230E84.1Confident89.8Confident30 Ų3034.1 Ų34.114%0.1417%0.174CC..  trans-118.3141.6-172.7-69.2-168.1151.600112.1S224 S225 Y228 Q300S224-E230 PolarHBondContact OG-O 3.43Å; S225-E230 WeakPolarHBondContact CA-O 3.15Å; S225-E230 PolarHBondContact N-O 3.24Å; Y228-E230 PolarHBondContact O-N 2.92Å; E230-Q300 PolarHBondContact OE1-NE2 2.91Å; E230-Q300 PolarHBondContact OE1-OE1 3.28Å
231R89.3Confident89.3Confident102 Ų10238 Ų3839%0.38520%0.199SC..  trans-88.2125.9171.5-58.7-59.4-54.3-87.1-10.2109.6D190 E221 G233D190-R231 IonicContact OD2-CZ 3.45Å; D190-R231 IonicContact OD2-NH1 3.97Å; D190-R231 PolarHBondContact OD2-NH1 3.08Å; D190-R231 IonicContact OD2-NH2 3.72Å; D190-R231 PolarHBondContact OD2-NH2 3.28Å; E221-R231 WeakPolarHBondContact OE1-CA 3.49Å; E221-R231 WeakPolarHBondContact OE1-CB 3.48Å; E221-R231 IonicContact OE1-CZ 2.7Å; E221-R231 IonicContact OE1-NE 2.77Å; E221-R231 PolarHBondContact OE1-NE 3.39Å; E221-R231 IonicContact OE1-NH2 3.57Å; E221-R231 PolarHBondContact OE1-NH2 3.45Å; R231-G233 VanDerWaalsContact C-N 3.32Å
232L88.2Confident88.5Confident38 Ų3842 Ų4220%0.19922%0.218CC..  trans-84.3-11.5176.8-61.6175.4000112.1L220 E221 S224 L234 M337L220-L232 HydrophobicContact CD1-CD1 4.1Å; L220-L232 HydrophobicContact CD2-CD1 4.38Å; L220-L232 HydrophobicContact CG-CD1 3.86Å; E221-L232 PolarHBondContact OE1-N 3.05Å; E221-L232 WeakPolarHBondContact OE2-CB 3.24Å; E221-L232 PolarHBondContact OE2-N 3.41Å; S224-L232 VanDerWaalsContact OG-CG 3.32Å; S224-L232 WeakPolarHBondContact OG-CG 3.36Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 HydrophobicContact CB-CD1 4.18Å; L232-L234 HydrophobicContact CB-CG 3.97Å; L232-L234 HydrophobicContact CD1-CD1 4.09Å; L232-M337 HydrophobicContact CD1-CE 4.2Å
233G89.8Confident87.7Confident18 Ų1842.2 Ų42.219%0.18622%0.22CC..  trans7620.6179.200000113.5E221 R231 M235 L236E221-G233 PolarHBondContact OE1-N 3.42Å; E221-G233 PolarHBondContact OE2-N 3.45Å; E221-G233 VanDerWaalsContact OE2-N 3.08Å; R231-G233 VanDerWaalsContact C-N 3.32Å; G233-M235 PolarHBondContact O-N 3.19Å; G233-L236 VanDerWaalsContact O-CB 3.27Å; G233-L236 WeakPolarHBondContact O-CB 3.34Å; G233-L236 WeakPolarHBondContact O-CG 3.11Å; G233-L236 PolarHBondContact O-N 3.5Å
234L90.4Very high87.1Confident1 Ų144.3 Ų44.31%0.00523%0.229CC..THydrogen-bonded Turntrans-68-16.6-177.8-65.9171.8000113.6K217 L220 E221 L232 I239 A243K217-L234 HydrophobicContact CB-CB 4.12Å; L220-L234 HydrophobicContact CB-CD1 3.69Å; L220-L234 HydrophobicContact CD2-CD1 3.5Å; L220-L234 VanDerWaalsContact CD2-CD1 3.5Å; L220-L234 HydrophobicContact CG-CD1 3.45Å; L220-L234 VanDerWaalsContact CG-CD1 3.45Å; E221-L234 HydrophobicContact CB-CB 4.35Å; E221-L234 HydrophobicContact CB-CD1 4.27Å; E221-L234 VanDerWaalsContact OE2-CB 3.24Å; E221-L234 WeakPolarHBondContact OE2-CB 3.1Å; E221-L234 WeakPolarHBondContact OE2-CG 3.45Å; E221-L234 PolarHBondContact OE2-N 3.04Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 HydrophobicContact CB-CD1 4.18Å; L232-L234 HydrophobicContact CB-CG 3.97Å; L232-L234 HydrophobicContact CD1-CD1 4.09Å; L234-I239 HydrophobicContact CD2-CG2 3.7Å; L234-A243 HydrophobicContact CD2-CB 3.45Å; L234-A243 VanDerWaalsContact CD2-CB 3.45Å; L234-A243 HydrophobicContact CG-CB 4.45Å
235M91.5Very high86.9Confident15 Ų1551.3 Ų51.37%0.07426%0.256CS..THydrogen-bonded Turntrans-84.3-11175.5-60.3-55.8112.200112.8D190 F191 R194 K217 E221 G233D190-M235 HydrophobicContact CB-CB 3.9Å; D190-M235 HydrophobicContact CB-CG 3.88Å; F191-M235 HydrophobicContact CB-SD 4.3Å; F191-M235 HydrophobicContact CD2-SD 3.94Å; R194-M235 PolarHBondContact NH1-O 3.47Å; K217-M235 HydrophobicContact CB-CE 3.68Å; K217-M235 WeakPolarHBondContact O-CE 3.43Å; E221-M235 HydrophobicContact CB-CE 4.17Å; E221-M235 HydrophobicContact CG-CG 4.43Å; G233-M235 PolarHBondContact O-N 3.19Å
236L87.3Confident86.5Confident113 Ų11351.5 Ų51.559%0.59226%0.256SS*.SBendtrans-74.4164.3179.5-57.3176.9000112.5R194 G233 Y238R194-L236 PolarHBondContact NH1-O 3.43Å; G233-L236 VanDerWaalsContact O-CB 3.27Å; G233-L236 WeakPolarHBondContact O-CB 3.34Å; G233-L236 WeakPolarHBondContact O-CG 3.11Å; G233-L236 PolarHBondContact O-N 3.5Å; L236-Y238 VanDerWaalsContact C-N 3.34Å
237D82.3Confident86Confident87 Ų8751.7 Ų51.747%0.46526%0.257SS..SBendtrans-64.4-40.5177.2-86.1-9.1000112K197 R201K197-D237 WeakPolarHBondContact CE-OD2 3.28Å; K197-D237 IonicContact NZ-OD1 2.82Å; K197-D237 PolarHBondContact NZ-OD1 3.17Å; K197-D237 IonicContact NZ-OD2 3.31Å; K197-D237 PolarHBondContact NZ-OD2 2.63Å; R201-D237 IonicContact CZ-OD1 2.71Å; R201-D237 IonicContact CZ-OD2 2.83Å; R201-D237 IonicContact NH1-OD1 3.54Å; R201-D237 PolarHBondContact NH1-OD1 3.48Å; R201-D237 IonicContact NH1-OD2 2.75Å; R201-D237 IonicContact NH2-OD1 3.64Å; R201-D237 IonicContact NH2-OD2 3.6Å; R201-D237 PolarHBondContact NH2-OD2 3.39Å
238Y82.8Confident85.8Confident172 Ų17255.9 Ų55.968%0.67528%0.28SS*.SBendtrans-94.7123.1173.2179.5-96.5000108.9L236L236-Y238 VanDerWaalsContact C-N 3.34Å
239I80.7Confident86Confident33 Ų3356.4 Ų56.417%0.16928%0.284CS..  trans-108.3129.2177.3-61.7172.8000107.1K217 L234 P241K217-I239 HydrophobicContact CD-CD1 3.68Å; L234-I239 HydrophobicContact CD2-CG2 3.7Å; I239-P241 WeakPolarHBondContact O-CD 3.46Å
240D78.6Confident86.1Confident62 Ų6254.7 Ų54.733%0.33227%0.265SS..  trans-56121.6172.4-173.4-16.9000109.8E242 A243 Q244D240-E242 PolarHBondContact O-N 3.42Å; D240-E242 WeakPolarHBondContact OD1-CB 3.41Å; D240-E242 PolarHBondContact OD1-N 3.25Å; D240-A243 HydrophobicContact CB-CB 4.37Å; D240-A243 PolarHBondContact O-N 3.44Å; D240-Q244 PolarHBondContact O-N 3.15Å
241P83.6Confident86.4Confident83 Ų8354.9 Ų54.954%0.53927%0.269SS..Hα-helixtrans-51.1-28.7175.4-27.835.4000113.7I239 R245I239-P241 WeakPolarHBondContact O-CD 3.46Å; P241-R245 WeakPolarHBondContact O-CB 3.43Å; P241-R245 PolarHBondContact O-N 3.5Å
242E80.2Confident86.6Confident82 Ų8252.8 Ų52.838%0.38327%0.265SS..Hα-helixtrans-70-37.4178-64.1-175.613300112.8D240 R245 F246 R292D240-E242 PolarHBondContact O-N 3.42Å; D240-E242 WeakPolarHBondContact OD1-CB 3.41Å; D240-E242 PolarHBondContact OD1-N 3.25Å; E242-R245 WeakPolarHBondContact O-CB 3.38Å; E242-R245 PolarHBondContact O-N 3.15Å; E242-F246 PolarHBondContact O-N 2.75Å; E242-R292 IonicContact OE1-CZ 2.86Å; E242-R292 IonicContact OE1-NH1 2.8Å; E242-R292 PolarHBondContact OE1-NH1 3.37Å; E242-R292 IonicContact OE2-CZ 3.34Å; E242-R292 IonicContact OE2-NH1 2.82Å; E242-R292 PolarHBondContact OE2-NH1 2.63Å; E242-R292 IonicContact OE2-NH2 2.83Å; E242-R292 PolarHBondContact OE2-NH2 3.18Å
243A79Confident86.9Confident5 Ų551.1 Ų51.14%0.04126%0.256CS..Hα-helixtrans-69.9-35.9177.600000111.3L234 D240 F246 I247L234-A243 HydrophobicContact CD2-CB 3.45Å; L234-A243 VanDerWaalsContact CD2-CB 3.45Å; L234-A243 HydrophobicContact CG-CB 4.45Å; D240-A243 HydrophobicContact CB-CB 4.37Å; D240-A243 PolarHBondContact O-N 3.44Å; A243-F246 WeakPolarHBondContact O-CB 3.45Å; A243-F246 PolarHBondContact O-N 2.96Å; A243-I247 PolarHBondContact O-N 2.94Å
244Q83.4Confident87Confident48 Ų4851 Ų5122%0.22425%0.25CS..Hα-helixtrans-64.9-41.9170.3-175.359.257.700111.5D240 F246 I247 D248D240-Q244 PolarHBondContact O-N 3.15Å; Q244-F246 PolarHBondContact O-N 3.06Å; Q244-I247 WeakPolarHBondContact O-CB 3.42Å; Q244-I247 PolarHBondContact O-N 3.11Å; Q244-I247 VanDerWaalsContact O-N 3.14Å; Q244-D248 PolarHBondContact NE2-OD1 3.17Å; Q244-D248 VanDerWaalsContact O-CG 3.31Å; Q244-D248 PolarHBondContact O-N 3.43Å
245R88.1Confident87Confident148 Ų14855.6 Ų55.656%0.55827%0.271SS*.Hα-helixtrans-58.7-34.4175.1179178.4176.5156.7-1.3112P241 E242 D248 C249P241-R245 WeakPolarHBondContact O-CB 3.43Å; P241-R245 PolarHBondContact O-N 3.5Å; E242-R245 WeakPolarHBondContact O-CB 3.38Å; E242-R245 PolarHBondContact O-N 3.15Å; R245-D248 PolarHBondContact O-N 3.03Å; R245-C249 WeakPolarHBondContact O-CB 3.34Å; R245-C249 PolarHBondContact O-N 3.12Å; R245-C249 PolarHBondContact O-SG 3.17Å
246F87.3Confident87Confident5 Ų555.2 Ų55.22%0.02227%0.269CS..Hα-helixtrans-63.9-45.9175.3-179.3-103.2000112.2L220 E242 A243 Q244 D248 C249 I250 I286 Q289 M337 V341L220-F246 HydrophobicContact CD1-CD1 3.55Å; L220-F246 HydrophobicContact CD1-CE1 3.4Å; L220-F246 VanDerWaalsContact CD1-CE1 3.4Å; L220-F246 HydrophobicContact CD2-CD1 3.71Å; L220-F246 HydrophobicContact CD2-CE1 4.4Å; L220-F246 HydrophobicContact CG-CD1 4.32Å; E242-F246 PolarHBondContact O-N 2.75Å; A243-F246 WeakPolarHBondContact O-CB 3.45Å; A243-F246 PolarHBondContact O-N 2.96Å; Q244-F246 PolarHBondContact O-N 3.06Å; F246-D248 VanDerWaalsContact C-N 3.32Å; F246-D248 PolarHBondContact O-N 3.29Å; F246-C249 WeakPolarHBondContact O-CB 3.35Å; F246-C249 PolarHBondContact O-N 3.15Å; F246-I250 HydrophobicContact CD1-CD1 3.89Å; F246-I250 HydrophobicContact CE1-CD1 3.31Å; F246-I250 HydrophobicContact CE1-CG1 4.27Å; F246-I250 HydrophobicContact CE2-CD1 4.46Å; F246-I250 HydrophobicContact CZ-CD1 3.65Å; F246-I250 HydrophobicContact CZ-CG1 4.32Å; F246-I250 PolarHBondContact O-N 2.66Å; F246-I286 HydrophobicContact CE2-CB 4.13Å; F246-I286 HydrophobicContact CE2-CG1 4.21Å; F246-I286 HydrophobicContact CE2-CG2 3.94Å; F246-I286 HydrophobicContact CZ-CG2 4.46Å; F246-Q289 HydrophobicContact CB-CB 4.4Å; F246-Q289 HydrophobicContact CB-CG 4.17Å; F246-Q289 HydrophobicContact CD2-CB 3.33Å; F246-Q289 HydrophobicContact CD2-CG 3.56Å; F246-Q289 HydrophobicContact CE2-CB 3.79Å; F246-Q289 HydrophobicContact CE2-CG 4.02Å; F246-Q289 HydrophobicContact CG-CB 4.1Å; F246-Q289 HydrophobicContact CG-CG 3.88Å; F246-M337 HydrophobicContact CE1-CE 4.09Å; F246-M337 HydrophobicContact CE1-CG 4.08Å; F246-M337 HydrophobicContact CZ-CE 4.32Å; F246-M337 HydrophobicContact CZ-CG 3.65Å; F246-V341 HydrophobicContact CE1-CG2 4.13Å
247I85.8Confident87.3Confident5 Ų549.8 Ų49.83%0.02624%0.241CC..Hα-helixtrans-57.4-47.9175-61.8171.7000110F216 K217 L220 A243 Q244 C249 I250 T251F216-I247 HydrophobicContact CB-CD1 4.36Å; F216-I247 HydrophobicContact CB-CG2 3.96Å; F216-I247 HydrophobicContact CG-CG2 4.26Å; K217-I247 HydrophobicContact CG-CD1 4.05Å; L220-I247 HydrophobicContact CD2-CD1 3.93Å; L220-I247 HydrophobicContact CD2-CG1 3.52Å; A243-I247 PolarHBondContact O-N 2.94Å; Q244-I247 WeakPolarHBondContact O-CB 3.42Å; Q244-I247 PolarHBondContact O-N 3.11Å; Q244-I247 VanDerWaalsContact O-N 3.14Å; I247-C249 VanDerWaalsContact C-N 3.29Å; I247-C249 PolarHBondContact O-N 2.95Å; I247-I250 PolarHBondContact O-N 3.26Å; I247-I250 VanDerWaalsContact O-N 3.13Å; I247-T251 PolarHBondContact O-N 3.27Å
248D90.1Very high87.4Confident88 Ų8846 Ų4647%0.47122%0.22SC..Hα-helixtrans-62-38.1-180-61.5-17.7000111.7Q244 R245 F246 T251 L252Q244-D248 PolarHBondContact NE2-OD1 3.17Å; Q244-D248 VanDerWaalsContact O-CG 3.31Å; Q244-D248 PolarHBondContact O-N 3.43Å; R245-D248 PolarHBondContact O-N 3.03Å; F246-D248 VanDerWaalsContact C-N 3.32Å; F246-D248 PolarHBondContact O-N 3.29Å; D248-T251 PolarHBondContact O-N 2.81Å; D248-L252 VanDerWaalsContact O-CB 3.31Å; D248-L252 WeakPolarHBondContact O-CB 3.31Å; D248-L252 PolarHBondContact O-N 3.46Å
249C94.5Very high87.4Confident13 Ų1338.3 Ų38.39%0.08819%0.192CC..Hα-helixtrans-63.2-41.2174.7-70.50000112.2R245 F246 I247 L252 M253 A282 I286R245-C249 WeakPolarHBondContact O-CB 3.34Å; R245-C249 PolarHBondContact O-N 3.12Å; R245-C249 PolarHBondContact O-SG 3.17Å; F246-C249 WeakPolarHBondContact O-CB 3.35Å; F246-C249 PolarHBondContact O-N 3.15Å; I247-C249 VanDerWaalsContact C-N 3.29Å; I247-C249 PolarHBondContact O-N 2.95Å; C249-L252 PolarHBondContact O-N 3.23Å; C249-M253 VanDerWaalsContact O-CB 3.3Å; C249-M253 WeakPolarHBondContact O-CB 3.44Å; C249-M253 PolarHBondContact O-N 2.9Å; C249-A282 WeakPolarHBondContact CB-O 3.42Å; C249-A282 WeakPolarHBondContact O-CB 3.29Å; C249-I286 HydrophobicContact CB-CG1 4.01Å
250I91.6Very high87.8Confident0 Ų036.8 Ų36.80%018%0.184CC..Hα-helixtrans-63.6-49177.1-69.3175000110.6F246 I247 L252 M253 F254 I286 V341 D342F246-I250 HydrophobicContact CD1-CD1 3.89Å; F246-I250 HydrophobicContact CE1-CD1 3.31Å; F246-I250 HydrophobicContact CE1-CG1 4.27Å; F246-I250 HydrophobicContact CE2-CD1 4.46Å; F246-I250 HydrophobicContact CZ-CD1 3.65Å; F246-I250 HydrophobicContact CZ-CG1 4.32Å; F246-I250 PolarHBondContact O-N 2.66Å; I247-I250 PolarHBondContact O-N 3.26Å; I247-I250 VanDerWaalsContact O-N 3.13Å; I250-L252 VanDerWaalsContact C-N 3.29Å; I250-L252 PolarHBondContact O-N 2.73Å; I250-M253 WeakPolarHBondContact O-CB 3.23Å; I250-M253 PolarHBondContact O-N 2.82Å; I250-M253 VanDerWaalsContact O-N 3.12Å; I250-F254 HydrophobicContact CG2-CD2 3.87Å; I250-F254 HydrophobicContact CG2-CE2 3.62Å; I250-F254 WeakPolarHBondContact O-CD2 3.39Å; I250-F254 PolarHBondContact O-N 3.39Å; I250-F254 VanDerWaalsContact O-N 3.09Å; I250-I286 HydrophobicContact CG1-CD1 4.02Å; I250-I286 HydrophobicContact CG1-CG1 4.03Å; I250-V341 HydrophobicContact CD1-CB 3.76Å; I250-V341 HydrophobicContact CD1-CG1 4.34Å; I250-V341 HydrophobicContact CD1-CG2 3.45Å; I250-V341 VanDerWaalsContact CD1-CG2 3.45Å; I250-D342 WeakPolarHBondContact CG2-OD1 3.09Å
251T90.1Very high88.1Confident34 Ų3435.3 Ų35.321%0.20918%0.176CC..Hα-helixtrans-58.5-43177.1-67.50000111.2I247 D248 K255I247-T251 PolarHBondContact O-N 3.27Å; D248-T251 PolarHBondContact O-N 2.81Å; T251-K255 HydrophobicContact CG2-CD 4.03Å; T251-K255 WeakPolarHBondContact O-CB 3.31Å; T251-K255 WeakPolarHBondContact O-CG 3.48Å; T251-K255 PolarHBondContact O-N 2.84Å; T251-K255 VanDerWaalsContact O-N 3.15Å
252L93Very high88Confident59 Ų5932.2 Ų32.231%0.30915%0.154SC..Hα-helixtrans-66-37.7177.3-17760.8000112.1D248 C249 I250 K255 T256 D278 A282D248-L252 VanDerWaalsContact O-CB 3.31Å; D248-L252 WeakPolarHBondContact O-CB 3.31Å; D248-L252 PolarHBondContact O-N 3.46Å; C249-L252 PolarHBondContact O-N 3.23Å; I250-L252 VanDerWaalsContact C-N 3.29Å; I250-L252 PolarHBondContact O-N 2.73Å; L252-K255 PolarHBondContact O-N 3.3Å; L252-T256 HydrophobicContact CD1-CG2 3.84Å; L252-T256 HydrophobicContact CG-CG2 4.22Å; L252-T256 WeakPolarHBondContact O-CB 3.32Å; L252-T256 VanDerWaalsContact O-CG2 3.3Å; L252-T256 WeakPolarHBondContact O-CG2 3.38Å; L252-T256 PolarHBondContact O-N 3.25Å; L252-T256 PolarHBondContact O-OG1 3.48Å; L252-D278 HydrophobicContact CD1-CB 4.48Å; L252-D278 HydrophobicContact CD2-CB 4.47Å; L252-A282 HydrophobicContact CB-CB 4.08Å; L252-A282 HydrophobicContact CD2-CB 4.03Å; L252-A282 HydrophobicContact CG-CB 3.97Å
253M95Very high88.1Confident3 Ų328.7 Ų28.72%0.01514%0.138CC..Hα-helixtrans-60.2-48.1177179.7-77-67.400110.9W139 C249 I250 T256 T257 A282 W283 I286W139-M253 HydrophobicContact CZ2-CE 4.14Å; W139-M253 HydrophobicContact CZ2-SD 3.58Å; W139-M253 VanDerWaalsContact CZ2-SD 3.58Å; W139-M253 PolarHBondContact NE1-SD 3.03Å; W139-M253 VanDerWaalsContact NE1-SD 3.4Å; C249-M253 VanDerWaalsContact O-CB 3.3Å; C249-M253 WeakPolarHBondContact O-CB 3.44Å; C249-M253 PolarHBondContact O-N 2.9Å; I250-M253 WeakPolarHBondContact O-CB 3.23Å; I250-M253 PolarHBondContact O-N 2.82Å; I250-M253 VanDerWaalsContact O-N 3.12Å; M253-T256 PolarHBondContact O-OG1 3.12Å; M253-T256 VanDerWaalsContact O-OG1 3.07Å; M253-T257 WeakPolarHBondContact O-CB 3.29Å; M253-T257 PolarHBondContact O-N 3.09Å; M253-T257 PolarHBondContact O-OG1 3.48Å; M253-A282 HydrophobicContact CB-CB 4.05Å; M253-W283 HydrophobicContact CE-CH2 4.25Å; M253-W283 HydrophobicContact CE-CZ2 4.16Å; M253-W283 HydrophobicContact CG-CD2 3.94Å; M253-W283 HydrophobicContact CG-CG 4.31Å; M253-W283 HydrophobicContact CG-CH2 4.29Å; M253-W283 HydrophobicContact CG-CZ2 3.59Å; M253-W283 HydrophobicContact SD-CH2 4.29Å; M253-W283 HydrophobicContact SD-CZ2 3.61Å; M253-I286 HydrophobicContact CB-CD1 3.94Å; M253-I286 HydrophobicContact CG-CD1 4.12Å
254F91.6Very high88.5Confident14 Ų1430.8 Ų30.86%0.06115%0.15CC..Hα-helixtrans-62.4-47.9177-77.1-61.9000112.3W139 I250 T256 T257 S258 D342 L510 I511W139-F254 HydrophobicContact CZ2-CE1 4.37Å; I250-F254 HydrophobicContact CG2-CD2 3.87Å; I250-F254 HydrophobicContact CG2-CE2 3.62Å; I250-F254 WeakPolarHBondContact O-CD2 3.39Å; I250-F254 PolarHBondContact O-N 3.39Å; I250-F254 VanDerWaalsContact O-N 3.09Å; F254-T256 PolarHBondContact O-N 2.86Å; F254-T257 PolarHBondContact O-N 3.06Å; F254-T257 VanDerWaalsContact O-N 3.14Å; F254-S258 PolarHBondContact O-N 2.78Å; F254-D342 HydrophobicContact CD2-CB 4.34Å; F254-D342 VanDerWaalsContact CD2-OD2 3.22Å; F254-D342 WeakPolarHBondContact CD2-OD2 3.49Å; F254-D342 HydrophobicContact CE2-CB 3.89Å; F254-L510 HydrophobicContact CD1-CB 4.02Å; F254-L510 HydrophobicContact CD1-CD2 3.54Å; F254-L510 HydrophobicContact CD1-CG 4.15Å; F254-L510 HydrophobicContact CE1-CD2 3.86Å; F254-I511 HydrophobicContact CD1-CG2 4.44Å; F254-I511 HydrophobicContact CD2-CD1 4.37Å; F254-I511 HydrophobicContact CE1-CG2 4.04Å; F254-I511 HydrophobicContact CE2-CD1 4.29Å; F254-I511 HydrophobicContact CZ-CD1 4.43Å; F254-I511 HydrophobicContact CZ-CG2 4.5Å
255K90.3Very high88.8Confident99 Ų9928.8 Ų28.843%0.4314%0.142SC..Hα-helixtrans-56.6-45.3178.4-80.5173.3-179.7172.30113.4T251 L252 P259 E509T251-K255 HydrophobicContact CG2-CD 4.03Å; T251-K255 WeakPolarHBondContact O-CB 3.31Å; T251-K255 WeakPolarHBondContact O-CG 3.48Å; T251-K255 PolarHBondContact O-N 2.84Å; T251-K255 VanDerWaalsContact O-N 3.15Å; L252-K255 PolarHBondContact O-N 3.3Å; K255-P259 WeakPolarHBondContact O-CD 3.48Å; K255-E509 WeakPolarHBondContact CE-OE2 3.36Å; K255-E509 WeakPolarHBondContact CG-OE2 3.43Å
256T92.4Very high88.8Confident6 Ų624.6 Ų24.64%0.03714%0.139CC..Hα-helixtrans-74.3-26.8-179.753.10000112.3L252 M253 F254 P259 M260 V275 D278 H279L252-T256 HydrophobicContact CD1-CG2 3.84Å; L252-T256 HydrophobicContact CG-CG2 4.22Å; L252-T256 WeakPolarHBondContact O-CB 3.32Å; L252-T256 VanDerWaalsContact O-CG2 3.3Å; L252-T256 WeakPolarHBondContact O-CG2 3.38Å; L252-T256 PolarHBondContact O-N 3.25Å; L252-T256 PolarHBondContact O-OG1 3.48Å; M253-T256 PolarHBondContact O-OG1 3.12Å; M253-T256 VanDerWaalsContact O-OG1 3.07Å; F254-T256 PolarHBondContact O-N 2.86Å; T256-P259 WeakPolarHBondContact O-CD 3.12Å; T256-P259 WeakPolarHBondContact O-CG 3.3Å; T256-M260 WeakPolarHBondContact O-CE 3.37Å; T256-V275 HydrophobicContact CG2-CG2 4.28Å; T256-D278 HydrophobicContact CG2-CB 3.84Å; T256-H279 PolarHBondContact OG1-ND1 3.31Å
257T92.1Very high88.8Confident0 Ų027.9 Ų27.90%016%0.156CC..Hα-helixtrans-69.3-42.6179-570000112.8V136 W139 M253 F254 M260 L261 H279 L510V136-T257 HydrophobicContact CG1-CG2 3.49Å; V136-T257 VanDerWaalsContact CG1-CG2 3.49Å; W139-T257 HydrophobicContact CZ2-CG2 4.45Å; W139-T257 PolarHBondContact NE1-OG1 3.41Å; M253-T257 WeakPolarHBondContact O-CB 3.29Å; M253-T257 PolarHBondContact O-N 3.09Å; M253-T257 PolarHBondContact O-OG1 3.48Å; F254-T257 PolarHBondContact O-N 3.06Å; F254-T257 VanDerWaalsContact O-N 3.14Å; T257-M260 CarbonylContact O-C 3.48Å; T257-M260 WeakPolarHBondContact O-CA 3.36Å; T257-M260 PolarHBondContact O-N 3.42Å; T257-L261 PolarHBondContact O-N 3.5Å; T257-H279 PolarHBondContact OG1-CE1 3.39Å; T257-L510 HydrophobicContact CG2-CD1 4.2Å; T257-L510 HydrophobicContact CG2-CD2 3.64Å; T257-L510 HydrophobicContact CG2-CG 4.44Å
258S86.3Confident89Confident6 Ų627.9 Ų27.94%0.04216%0.156CC..Hα-helixtrans-49.1-52.9-174.6-178.30000114.7F84 F254 M260 L261F84-S258 PolarHBondContact O-OG 3.42Å; F254-S258 PolarHBondContact O-N 2.78Å; S258-M260 VanDerWaalsContact C-N 3.27Å; S258-M260 PolarHBondContact O-N 3.25Å; S258-L261 WeakPolarHBondContact O-CB 3.47Å; S258-L261 PolarHBondContact O-N 3.17Å
259P81.9Confident89Confident11 Ų1130.1 Ų30.17%0.07116%0.158CC..Hα-helixtrans-66.3-27.7177.826-35.2000113.5C6 K255 T256 L261 Y262 I263 V275C6-P259 HydrophobicContact CB-CB 4.48Å; K255-P259 WeakPolarHBondContact O-CD 3.48Å; T256-P259 WeakPolarHBondContact O-CD 3.12Å; T256-P259 WeakPolarHBondContact O-CG 3.3Å; P259-L261 VanDerWaalsContact C-N 3.26Å; P259-L261 PolarHBondContact O-N 3.26Å; P259-Y262 PolarHBondContact O-N 3.27Å; P259-I263 PolarHBondContact O-N 2.95Å; P259-V275 HydrophobicContact CG-CG2 4.04Å
260M88.9Confident88.8Confident2 Ų236.8 Ų36.81%0.0119%0.188CC..Hα-helixtrans-81.3-1.3-179.3-59.5-164.6-78.300113.8A138 T256 T257 S258 Y262 L268 W276 H279A138-M260 HydrophobicContact CB-CB 3.94Å; A138-M260 HydrophobicContact CB-CE 3.69Å; A138-M260 HydrophobicContact CB-SD 4.18Å; T256-M260 WeakPolarHBondContact O-CE 3.37Å; T257-M260 CarbonylContact O-C 3.48Å; T257-M260 WeakPolarHBondContact O-CA 3.36Å; T257-M260 PolarHBondContact O-N 3.42Å; S258-M260 VanDerWaalsContact C-N 3.27Å; S258-M260 PolarHBondContact O-N 3.25Å; M260-Y262 PolarHBondContact O-N 2.86Å; M260-L268 HydrophobicContact CB-CD1 4.41Å; M260-L268 HydrophobicContact CG-CD1 3.47Å; M260-L268 VanDerWaalsContact CG-CD1 3.47Å; M260-L268 HydrophobicContact SD-CD1 3.7Å; M260-W276 HydrophobicContact SD-CE3 4.14Å; M260-H279 HydrophobicContact CE-CB 3.57Å
261L85.1Confident88.8Confident31 Ų3141.2 Ų41.216%0.16222%0.215CC..THydrogen-bonded Turntrans-67.2-26.7167.5-67.5176.4000112.2Y108 V136 T257 S258 P259 F508 L510Y108-L261 PolarHBondContact OH-O 3.44Å; V136-L261 HydrophobicContact CG1-CD2 4.32Å; T257-L261 PolarHBondContact O-N 3.5Å; S258-L261 WeakPolarHBondContact O-CB 3.47Å; S258-L261 PolarHBondContact O-N 3.17Å; P259-L261 VanDerWaalsContact C-N 3.26Å; P259-L261 PolarHBondContact O-N 3.26Å; L261-F508 HydrophobicContact CD1-CE1 4.42Å; L261-F508 HydrophobicContact CD1-CZ 4.42Å; L261-L510 HydrophobicContact CD1-CD1 3.85Å; L261-L510 HydrophobicContact CD2-CD1 4.17Å; L261-L510 HydrophobicContact CG-CD1 4.4Å
262Y82Confident88.7Confident17 Ų1741.2 Ų41.27%0.06722%0.222CC..THydrogen-bonded Turntrans-116.2-13.3-172.5-54.3-88.2000113.1L75 F78 F84 I106 Y108 P259 M260L75-Y262 HydrophobicContact CD1-CD1 4.33Å; L75-Y262 HydrophobicContact CD1-CG 4.37Å; F78-Y262 HydrophobicContact CE1-CE1 4.17Å; F78-Y262 AromaticContact CE1-CE2 3.93Å; F78-Y262 HydrophobicContact CE1-CE2 3.93Å; F78-Y262 AromaticContact CE1-CZ 3.66Å; F78-Y262 HydrophobicContact CZ-CE1 4.45Å; F78-Y262 HydrophobicContact CZ-CE2 4.36Å; F78-Y262 AromaticContact CZ-CZ 3.8Å; F78-Y262 VanDerWaalsContact CZ-OH 3.31Å; F78-Y262 WeakPolarHBondContact CZ-OH 3.48Å; F84-Y262 AromaticContact CD1-CD2 3.73Å; F84-Y262 HydrophobicContact CD1-CD2 3.73Å; F84-Y262 AromaticContact CD1-CE2 3.81Å; F84-Y262 HydrophobicContact CD1-CE2 3.81Å; F84-Y262 AromaticContact CE1-CD2 3.24Å; F84-Y262 HydrophobicContact CE1-CD2 3.24Å; F84-Y262 AromaticContact CE1-CE2 3.79Å; F84-Y262 HydrophobicContact CE1-CE2 3.79Å; F84-Y262 AromaticContact CE1-CG 3.95Å; F84-Y262 HydrophobicContact CE1-CG 3.95Å; F84-Y262 HydrophobicContact CZ-CD2 4.23Å; I106-Y262 HydrophobicContact CB-CD1 4.36Å; I106-Y262 HydrophobicContact CB-CE1 4.19Å; I106-Y262 HydrophobicContact CD1-CE1 4.49Å; I106-Y262 HydrophobicContact CG2-CD1 3.59Å; I106-Y262 HydrophobicContact CG2-CE1 3.63Å; Y108-Y262 WeakPolarHBondContact CE1-O 3.31Å; P259-Y262 PolarHBondContact O-N 3.27Å; M260-Y262 PolarHBondContact O-N 2.86Å
263I82.1Confident88.7Confident9 Ų939.4 Ų39.45%0.04622%0.215CC..SBendtrans-118.5121.4177.6-54174.8000108.1C6 F9 V10 P259 L268C6-I263 HydrophobicContact CB-CD1 4.39Å; F9-I263 HydrophobicContact CD1-CD1 4.44Å; F9-I263 HydrophobicContact CE1-CG2 4.23Å; V10-I263 HydrophobicContact CG2-CD1 3.71Å; V10-I263 HydrophobicContact CG2-CG1 4.41Å; P259-I263 PolarHBondContact O-N 2.95Å; I263-L268 HydrophobicContact CB-CD1 4.33Å; I263-L268 HydrophobicContact CG2-CD1 4.08Å; I263-L268 HydrophobicContact CG2-CD2 3.98Å; I263-L268 HydrophobicContact CG2-CG 3.89Å
264P86.8Confident88.7Confident48 Ų4843.4 Ų43.431%0.31223%0.232SC..  trans-57.3127.4-179-2735.7000112.7Y108 A266 L267 L268Y108-P264 HydrophobicContact CE1-CG 3.92Å; P264-A266 PolarHBondContact O-N 3.34Å; P264-L267 HydrophobicContact CB-CD1 4.32Å; P264-L267 HydrophobicContact CB-CG 4.32Å; P264-L267 HydrophobicContact CG-CD1 4.21Å; P264-L267 PolarHBondContact O-N 3.36Å; P264-L267 VanDerWaalsContact O-N 3.12Å; P264-L268 PolarHBondContact O-N 3.13Å
265P89Confident88.7Confident7 Ų743 Ų435%0.04523%0.231CC..Hα-helixtrans-58.6-30.5179.9-25.732.9000114.1E137 A138 L267 L268 R269 W276E137-P265 HydrophobicContact CB-CG 4.04Å; A138-P265 HydrophobicContact CB-CG 4.15Å; P265-L267 VanDerWaalsContact C-N 3.29Å; P265-L267 PolarHBondContact O-N 3.11Å; P265-L268 PolarHBondContact O-N 3.1Å; P265-R269 WeakPolarHBondContact O-CB 3.44Å; P265-R269 PolarHBondContact O-N 3.39Å; P265-W276 HydrophobicContact CB-CE3 4.23Å; P265-W276 HydrophobicContact CB-CZ3 4.02Å
266A87.9Confident88.9Confident59 Ų5938.9 Ų38.949%0.48821%0.213SC..Hα-helixtrans-58-40.9177.300000112.3P264 R269 Q270P264-A266 PolarHBondContact O-N 3.34Å; A266-R269 PolarHBondContact O-N 3.06Å; A266-Q270 WeakPolarHBondContact O-CG 3.4Å; A266-Q270 PolarHBondContact O-N 3.47Å; A266-Q270 VanDerWaalsContact O-N 3.08Å
267L88.6Confident89.1Confident75 Ų7545.3 Ų45.339%0.39324%0.236SC..Hα-helixtrans-68-46.2177-62.9177.9000110.9P264 P265 R269 Q270 V271P264-L267 HydrophobicContact CB-CD1 4.32Å; P264-L267 HydrophobicContact CB-CG 4.32Å; P264-L267 HydrophobicContact CG-CD1 4.21Å; P264-L267 PolarHBondContact O-N 3.36Å; P264-L267 VanDerWaalsContact O-N 3.12Å; P265-L267 VanDerWaalsContact C-N 3.29Å; P265-L267 PolarHBondContact O-N 3.11Å; L267-R269 PolarHBondContact O-N 2.89Å; L267-Q270 PolarHBondContact O-N 3.1Å; L267-V271 WeakPolarHBondContact O-CG2 3.43Å; L267-V271 PolarHBondContact O-N 2.86Å; L267-V271 VanDerWaalsContact O-N 3.14Å
268L90.3Very high89.3Confident4 Ų446.2 Ų46.22%0.02124%0.241CC..Hα-helixtrans-61-34.7178.4-65.4173.4000112.2M260 I263 P264 P265 G272 A273 V275 W276M260-L268 HydrophobicContact CB-CD1 4.41Å; M260-L268 HydrophobicContact CG-CD1 3.47Å; M260-L268 VanDerWaalsContact CG-CD1 3.47Å; M260-L268 HydrophobicContact SD-CD1 3.7Å; I263-L268 HydrophobicContact CB-CD1 4.33Å; I263-L268 HydrophobicContact CG2-CD1 4.08Å; I263-L268 HydrophobicContact CG2-CD2 3.98Å; I263-L268 HydrophobicContact CG2-CG 3.89Å; P264-L268 PolarHBondContact O-N 3.13Å; P265-L268 PolarHBondContact O-N 3.1Å; L268-G272 PolarHBondContact O-N 2.78Å; L268-A273 HydrophobicContact CB-CB 4.06Å; L268-A273 HydrophobicContact CD2-CB 3.88Å; L268-A273 WeakPolarHBondContact O-CB 3.18Å; L268-A273 PolarHBondContact O-N 3.37Å; L268-V275 HydrophobicContact CD1-CG1 4.04Å; L268-V275 HydrophobicContact CD2-CG1 4.2Å; L268-W276 HydrophobicContact CB-CB 4.16Å
269R90.1Very high89.8Confident135 Ų13546 Ų4651%0.50924%0.239SC..Hα-helixtrans-67.8-47.1174.1178.2178.3170.7-169.8-4111.9P265 A266 L267 V271 G272 W276P265-R269 WeakPolarHBondContact O-CB 3.44Å; P265-R269 PolarHBondContact O-N 3.39Å; A266-R269 PolarHBondContact O-N 3.06Å; L267-R269 PolarHBondContact O-N 2.89Å; R269-V271 VanDerWaalsContact C-N 3.32Å; R269-V271 PolarHBondContact O-N 3.28Å; R269-G272 PolarHBondContact O-N 3.39Å; R269-G272 VanDerWaalsContact O-N 3.11Å; R269-W276 HydrophobicContact CB-CD2 4.42Å; R269-W276 HydrophobicContact CB-CG 4.33Å
270Q90.1Very high90.5Very high154 Ų15445.8 Ų45.872%0.7224%0.238SC*.Hα-helixtrans-60.5-40.7-178.7-76.4174-9.400112.5A266 L267 G272A266-Q270 WeakPolarHBondContact O-CG 3.4Å; A266-Q270 PolarHBondContact O-N 3.47Å; A266-Q270 VanDerWaalsContact O-N 3.08Å; L267-Q270 PolarHBondContact O-N 3.1Å; Q270-G272 PolarHBondContact O-N 3.42Å
271V91Very high90.8Very high93 Ų9350.9 Ų50.956%0.56426%0.262SS*.THydrogen-bonded Turntrans-83.42179-540000113.4L267 R269 A273L267-V271 WeakPolarHBondContact O-CG2 3.43Å; L267-V271 PolarHBondContact O-N 2.86Å; L267-V271 VanDerWaalsContact O-N 3.14Å; R269-V271 VanDerWaalsContact C-N 3.32Å; R269-V271 PolarHBondContact O-N 3.28Å; V271-A273 VanDerWaalsContact C-N 3.34Å; V271-A273 HydrophobicContact CG2-CB 4Å; V271-A273 PolarHBondContact O-N 2.94Å
272G89.1Confident91.4Very high34 Ų3449.4 Ų49.435%0.35125%0.254SS..THydrogen-bonded Turntrans58.144.3-176.600000112.4L268 R269 Q270 R277L268-G272 PolarHBondContact O-N 2.78Å; R269-G272 PolarHBondContact O-N 3.39Å; R269-G272 VanDerWaalsContact O-N 3.11Å; Q270-G272 PolarHBondContact O-N 3.42Å; G272-R277 PolarHBondContact O-NH1 2.85Å
273A92.9Very high92.1Very high20 Ų2048.9 Ų48.917%0.16525%0.252CS..  trans-65138.5-178.900000111.3L268 V271 V275 W276 R277L268-A273 HydrophobicContact CB-CB 4.06Å; L268-A273 HydrophobicContact CD2-CB 3.88Å; L268-A273 WeakPolarHBondContact O-CB 3.18Å; L268-A273 PolarHBondContact O-N 3.37Å; V271-A273 VanDerWaalsContact C-N 3.34Å; V271-A273 HydrophobicContact CG2-CB 4Å; V271-A273 PolarHBondContact O-N 2.94Å; A273-V275 VanDerWaalsContact C-N 3.26Å; A273-V275 HydrophobicContact CB-CG1 4.06Å; A273-V275 PolarHBondContact O-N 2.98Å; A273-W276 PolarHBondContact O-N 3.32Å; A273-W276 VanDerWaalsContact O-N 3.17Å; A273-R277 PolarHBondContact O-N 3.03Å
274K93.8Very high92.8Very high87 Ų8750.1 Ų50.138%0.37826%0.259SS..Hα-helixtrans-56.1-41.8177.8-169-167.2-176.4-52.60111.9W276 R277 D278K274-W276 VanDerWaalsContact C-N 3.26Å; K274-W276 PolarHBondContact O-N 3.02Å; K274-R277 PolarHBondContact O-N 2.93Å; K274-R277 VanDerWaalsContact O-N 3.14Å; K274-D278 IonicContact NZ-OD1 3.25Å; K274-D278 PolarHBondContact NZ-OD1 3.42Å; K274-D278 IonicContact NZ-OD2 3.9Å; K274-D278 PolarHBondContact NZ-OD2 3.36Å; K274-D278 WeakPolarHBondContact O-CB 3.31Å; K274-D278 VanDerWaalsContact O-CG 3.22Å; K274-D278 PolarHBondContact O-N 3.46Å
275V92.5Very high93.1Very high7 Ų748.4 Ų48.44%0.04225%0.249CC..Hα-helixtrans-57.9-37.4-179.667.90000112.7T256 P259 L268 A273 H279T256-V275 HydrophobicContact CG2-CG2 4.28Å; P259-V275 HydrophobicContact CG-CG2 4.04Å; L268-V275 HydrophobicContact CD1-CG1 4.04Å; L268-V275 HydrophobicContact CD2-CG1 4.2Å; A273-V275 VanDerWaalsContact C-N 3.26Å; A273-V275 HydrophobicContact CB-CG1 4.06Å; A273-V275 PolarHBondContact O-N 2.98Å; V275-H279 VanDerWaalsContact O-CB 3.32Å; V275-H279 WeakPolarHBondContact O-CB 3.15Å; V275-H279 PolarHBondContact O-N 2.91Å
276W95Very high93.4Very high12 Ų1248 Ų485%0.04525%0.247CC..Hα-helixtrans-71-44176.8171.4-107.8000111.4Y145 M260 P265 L268 R269 A273 K274 H279 V280Y145-W276 HydrophobicContact CD1-CZ2 4.28Å; Y145-W276 HydrophobicContact CG-CZ2 4.26Å; M260-W276 HydrophobicContact SD-CE3 4.14Å; P265-W276 HydrophobicContact CB-CE3 4.23Å; P265-W276 HydrophobicContact CB-CZ3 4.02Å; L268-W276 HydrophobicContact CB-CB 4.16Å; R269-W276 HydrophobicContact CB-CD2 4.42Å; R269-W276 HydrophobicContact CB-CG 4.33Å; A273-W276 PolarHBondContact O-N 3.32Å; A273-W276 VanDerWaalsContact O-N 3.17Å; K274-W276 VanDerWaalsContact C-N 3.26Å; K274-W276 PolarHBondContact O-N 3.02Å; W276-H279 WeakPolarHBondContact O-CB 3.13Å; W276-H279 PolarHBondContact O-N 3.39Å; W276-V280 HydrophobicContact CD2-CG2 4.13Å; W276-V280 HydrophobicContact CH2-CG2 4.16Å; W276-V280 HydrophobicContact CZ2-CG2 3.65Å; W276-V280 WeakPolarHBondContact O-CG2 3.34Å; W276-V280 PolarHBondContact O-N 2.91Å
277R95.4Very high93.6Very high140 Ų14045.5 Ų45.553%0.52823%0.225SC..Hα-helixtrans-61.1-45.7176-70.1-164.2-62.1-87-5.3112.1G272 A273 K274 H279 V280 Q281G272-R277 PolarHBondContact O-NH1 2.85Å; A273-R277 PolarHBondContact O-N 3.03Å; K274-R277 PolarHBondContact O-N 2.93Å; K274-R277 VanDerWaalsContact O-N 3.14Å; R277-H279 VanDerWaalsContact C-N 3.28Å; R277-H279 PolarHBondContact O-N 2.66Å; R277-V280 PolarHBondContact O-N 3.32Å; R277-Q281 WeakPolarHBondContact O-CB 3.46Å; R277-Q281 PolarHBondContact O-N 3.41Å
278D96.3Very high93.8Very high20 Ų2046.1 Ų46.111%0.10723%0.229CC..Hα-helixtrans-60.8-40.3176.7-65.3-10.9000110.7L252 T256 K274 Q281 A282L252-D278 HydrophobicContact CD1-CB 4.48Å; L252-D278 HydrophobicContact CD2-CB 4.47Å; T256-D278 HydrophobicContact CG2-CB 3.84Å; K274-D278 IonicContact NZ-OD1 3.25Å; K274-D278 PolarHBondContact NZ-OD1 3.42Å; K274-D278 IonicContact NZ-OD2 3.9Å; K274-D278 PolarHBondContact NZ-OD2 3.36Å; K274-D278 WeakPolarHBondContact O-CB 3.31Å; K274-D278 VanDerWaalsContact O-CG 3.22Å; K274-D278 PolarHBondContact O-N 3.46Å; D278-Q281 PolarHBondContact O-N 2.79Å; D278-A282 WeakPolarHBondContact O-CB 3.23Å; D278-A282 PolarHBondContact O-N 3.23Å
279H96.1Very high93.7Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-63.2-44.7176.4-169.472.2000112.6W139 T256 T257 M260 V275 W276 R277 A282 W283W139-H279 AromaticContact CD1-CE1 3.61Å; W139-H279 AromaticContact CD1-NE2 3.59Å; W139-H279 AromaticContact NE1-CE1 3.81Å; T256-H279 PolarHBondContact OG1-ND1 3.31Å; T257-H279 PolarHBondContact OG1-CE1 3.39Å; M260-H279 HydrophobicContact CE-CB 3.57Å; V275-H279 VanDerWaalsContact O-CB 3.32Å; V275-H279 WeakPolarHBondContact O-CB 3.15Å; V275-H279 PolarHBondContact O-N 2.91Å; W276-H279 WeakPolarHBondContact O-CB 3.13Å; W276-H279 PolarHBondContact O-N 3.39Å; R277-H279 VanDerWaalsContact C-N 3.28Å; R277-H279 PolarHBondContact O-N 2.66Å; H279-A282 PolarHBondContact O-N 2.92Å; H279-W283 AromaticContact CD2-CD1 3.61Å; H279-W283 AromaticContact CD2-NE1 3.87Å; H279-W283 AromaticContact CE1-CD1 3.56Å; H279-W283 AromaticContact CE1-NE1 3.16Å; H279-W283 PolarHBondContact CE1-NE1 2.91Å; H279-W283 AromaticContact NE2-CD1 3.26Å; H279-W283 VanDerWaalsContact NE2-CD1 3.26Å; H279-W283 AromaticContact NE2-NE1 3.01Å; H279-W283 PolarHBondContact NE2-NE1 3.31Å; H279-W283 PolarHBondContact O-N 2.98Å
280V96.7Very high93.6Very high8 Ų840.6 Ų40.65%0.04821%0.209CC..Hα-helixtrans-62.4-45.3175.8171.20000110.5Y142 Y145 R146 W276 R277 A282 W283 D284Y142-V280 HydrophobicContact CD2-CB 4.44Å; Y142-V280 HydrophobicContact CD2-CG1 4.35Å; Y142-V280 HydrophobicContact CD2-CG2 4.32Å; Y142-V280 HydrophobicContact CE2-CG1 4.37Å; Y145-V280 HydrophobicContact CD1-CG1 4.33Å; Y145-V280 HydrophobicContact CD1-CG2 4.15Å; Y145-V280 HydrophobicContact CE1-CG1 4.13Å; Y145-V280 HydrophobicContact CE1-CG2 4.32Å; R146-V280 VanDerWaalsContact NH2-CG1 3.34Å; W276-V280 HydrophobicContact CD2-CG2 4.13Å; W276-V280 HydrophobicContact CH2-CG2 4.16Å; W276-V280 HydrophobicContact CZ2-CG2 3.65Å; W276-V280 WeakPolarHBondContact O-CG2 3.34Å; W276-V280 PolarHBondContact O-N 2.91Å; R277-V280 PolarHBondContact O-N 3.32Å; V280-A282 VanDerWaalsContact C-N 3.34Å; V280-A282 PolarHBondContact O-N 2.96Å; V280-W283 PolarHBondContact O-N 3.23Å; V280-D284 WeakPolarHBondContact O-CB 3.34Å; V280-D284 VanDerWaalsContact O-CG 3.24Å; V280-D284 PolarHBondContact O-N 3.11Å
281Q97Very high93.5Very high109 Ų10934.4 Ų34.451%0.50918%0.181SC..Hα-helixtrans-62.6-40.7178.7-176.2179.64.300112.3R277 D278 D284 G285R277-Q281 WeakPolarHBondContact O-CB 3.46Å; R277-Q281 PolarHBondContact O-N 3.41Å; D278-Q281 PolarHBondContact O-N 2.79Å; Q281-D284 PolarHBondContact O-N 3.37Å; Q281-G285 PolarHBondContact O-N 2.96Å
282A96.8Very high93.3Very high0 Ų034.6 Ų34.60%017%0.171CC..Hα-helixtrans-60.8-49.5176.200000111.3C249 L252 M253 D278 H279 V280 G285 I286C249-A282 WeakPolarHBondContact CB-O 3.42Å; C249-A282 WeakPolarHBondContact O-CB 3.29Å; L252-A282 HydrophobicContact CB-CB 4.08Å; L252-A282 HydrophobicContact CD2-CB 4.03Å; L252-A282 HydrophobicContact CG-CB 3.97Å; M253-A282 HydrophobicContact CB-CB 4.05Å; D278-A282 WeakPolarHBondContact O-CB 3.23Å; D278-A282 PolarHBondContact O-N 3.23Å; H279-A282 PolarHBondContact O-N 2.92Å; V280-A282 VanDerWaalsContact C-N 3.34Å; V280-A282 PolarHBondContact O-N 2.96Å; A282-G285 PolarHBondContact O-N 3.02Å; A282-I286 WeakPolarHBondContact O-CG1 3.37Å; A282-I286 PolarHBondContact O-N 3.49Å; A282-I286 VanDerWaalsContact O-N 3.08Å
283W96.7Very high93.1Very high5 Ų533.1 Ų33.12%0.01916%0.156CC..Hα-helixtrans-67.4-36.5177.4-82.7116.2000113.6W139 Y142 M253 H279 V280 G285 I286 F287W139-W283 HydrophobicContact CB-CZ2 4.35Å; W139-W283 AromaticContact CD1-CE2 3.87Å; W139-W283 AromaticContact CD1-CZ2 3.64Å; W139-W283 AromaticContact CD1-NE1 3.52Å; W139-W283 AromaticContact CD2-CZ2 3.84Å; W139-W283 HydrophobicContact CD2-CZ2 3.84Å; W139-W283 AromaticContact CE2-CZ2 3.8Å; W139-W283 AromaticContact CG-CZ2 3.7Å; W139-W283 HydrophobicContact CG-CZ2 3.7Å; W139-W283 HydrophobicContact CZ2-CZ2 4.48Å; W139-W283 AromaticContact NE1-CZ2 3.69Å; W139-W283 AromaticContact NE1-NE1 3.98Å; Y142-W283 HydrophobicContact CD1-CB 3.7Å; Y142-W283 HydrophobicContact CD1-CD2 4.22Å; Y142-W283 AromaticContact CD1-CG 3.75Å; Y142-W283 HydrophobicContact CD1-CG 3.75Å; Y142-W283 HydrophobicContact CD2-CB 3.57Å; Y142-W283 HydrophobicContact CD2-CG 4.15Å; Y142-W283 HydrophobicContact CE1-CB 3.5Å; Y142-W283 HydrophobicContact CE1-CD2 4.39Å; Y142-W283 AromaticContact CE1-CG 3.97Å; Y142-W283 HydrophobicContact CE1-CG 3.97Å; Y142-W283 HydrophobicContact CE2-CB 3.31Å; Y142-W283 HydrophobicContact CE2-CG 4.3Å; Y142-W283 HydrophobicContact CG-CB 3.75Å; Y142-W283 AromaticContact CG-CD1 3.85Å; Y142-W283 AromaticContact CG-CG 3.86Å; Y142-W283 HydrophobicContact CG-CG 3.86Å; Y142-W283 PolarHBondContact OH-O 3.44Å; M253-W283 HydrophobicContact CE-CH2 4.25Å; M253-W283 HydrophobicContact CE-CZ2 4.16Å; M253-W283 HydrophobicContact CG-CD2 3.94Å; M253-W283 HydrophobicContact CG-CG 4.31Å; M253-W283 HydrophobicContact CG-CH2 4.29Å; M253-W283 HydrophobicContact CG-CZ2 3.59Å; M253-W283 HydrophobicContact SD-CH2 4.29Å; M253-W283 HydrophobicContact SD-CZ2 3.61Å; H279-W283 AromaticContact CD2-CD1 3.61Å; H279-W283 AromaticContact CD2-NE1 3.87Å; H279-W283 AromaticContact CE1-CD1 3.56Å; H279-W283 AromaticContact CE1-NE1 3.16Å; H279-W283 PolarHBondContact CE1-NE1 2.91Å; H279-W283 AromaticContact NE2-CD1 3.26Å; H279-W283 VanDerWaalsContact NE2-CD1 3.26Å; H279-W283 AromaticContact NE2-NE1 3.01Å; H279-W283 PolarHBondContact NE2-NE1 3.31Å; H279-W283 PolarHBondContact O-N 2.98Å; V280-W283 PolarHBondContact O-N 3.23Å; W283-G285 VanDerWaalsContact C-N 3.27Å; W283-G285 PolarHBondContact O-N 3.04Å; W283-I286 HydrophobicContact CD2-CD1 4.33Å; W283-I286 HydrophobicContact CE3-CB 4.22Å; W283-I286 HydrophobicContact CE3-CD1 3.85Å; W283-I286 HydrophobicContact CE3-CG2 4.15Å; W283-I286 HydrophobicContact CZ3-CD1 4.12Å; W283-I286 HydrophobicContact CZ3-CG2 4.15Å; W283-I286 PolarHBondContact O-N 3.3Å; W283-F287 HydrophobicContact CE3-CD2 4.13Å; W283-F287 AromaticContact CE3-CE2 3.86Å; W283-F287 HydrophobicContact CE3-CE2 3.86Å; W283-F287 HydrophobicContact CZ3-CE2 4.27Å; W283-F287 WeakPolarHBondContact O-CD2 3.38Å; W283-F287 PolarHBondContact O-N 2.69Å
284D96.2Very high92.8Very high36 Ų3632.3 Ų32.319%0.19315%0.149CC..Hα-helixtrans-58.1-44.2173.5-74-18.8000109.9Y142 R146 V280 Q281 I286 F287 N288Y142-D284 WeakPolarHBondContact CE2-OD1 3.41Å; Y142-D284 PolarHBondContact OH-OD1 3.13Å; R146-D284 IonicContact CZ-OD1 3.49Å; R146-D284 IonicContact CZ-OD2 3.17Å; R146-D284 VanDerWaalsContact CZ-OD2 3.32Å; R146-D284 IonicContact NE-OD1 2.74Å; R146-D284 PolarHBondContact NE-OD1 3.43Å; R146-D284 IonicContact NE-OD2 2.63Å; R146-D284 PolarHBondContact NE-OD2 2.82Å; R146-D284 IonicContact NH2-OD1 3.23Å; R146-D284 IonicContact NH2-OD2 2.65Å; R146-D284 PolarHBondContact NH2-OD2 3.01Å; V280-D284 WeakPolarHBondContact O-CB 3.34Å; V280-D284 VanDerWaalsContact O-CG 3.24Å; V280-D284 PolarHBondContact O-N 3.11Å; Q281-D284 PolarHBondContact O-N 3.37Å; D284-I286 PolarHBondContact O-N 3.33Å; D284-F287 PolarHBondContact O-N 3.31Å; D284-N288 VanDerWaalsContact O-CB 3.3Å; D284-N288 WeakPolarHBondContact O-CB 3.38Å; D284-N288 PolarHBondContact O-N 3.01Å; D284-N288 PolarHBondContact O-ND2 3.4Å; D284-N288 PolarHBondContact O-OD1 2.95Å
285G94.6Very high92.4Very high11 Ų1133 Ų3311%0.11315%0.153CC..Hα-helixtrans-60.2-42.7175.100000113.3Q281 A282 W283 N288 Q289Q281-G285 PolarHBondContact O-N 2.96Å; A282-G285 PolarHBondContact O-N 3.02Å; W283-G285 VanDerWaalsContact C-N 3.27Å; W283-G285 PolarHBondContact O-N 3.04Å; G285-N288 PolarHBondContact O-N 3.24Å; G285-Q289 PolarHBondContact O-N 3.49Å
286I93.8Very high92Very high0 Ų035.4 Ų35.40%017%0.166CC..Hα-helixtrans-62.5-49.3177.1-67.8165.8000111F246 C249 I250 M253 A282 W283 D284 Q289 A290 T334 A338F246-I286 HydrophobicContact CE2-CB 4.13Å; F246-I286 HydrophobicContact CE2-CG1 4.21Å; F246-I286 HydrophobicContact CE2-CG2 3.94Å; F246-I286 HydrophobicContact CZ-CG2 4.46Å; C249-I286 HydrophobicContact CB-CG1 4.01Å; I250-I286 HydrophobicContact CG1-CD1 4.02Å; I250-I286 HydrophobicContact CG1-CG1 4.03Å; M253-I286 HydrophobicContact CB-CD1 3.94Å; M253-I286 HydrophobicContact CG-CD1 4.12Å; A282-I286 WeakPolarHBondContact O-CG1 3.37Å; A282-I286 PolarHBondContact O-N 3.49Å; A282-I286 VanDerWaalsContact O-N 3.08Å; W283-I286 HydrophobicContact CD2-CD1 4.33Å; W283-I286 HydrophobicContact CE3-CB 4.22Å; W283-I286 HydrophobicContact CE3-CD1 3.85Å; W283-I286 HydrophobicContact CE3-CG2 4.15Å; W283-I286 HydrophobicContact CZ3-CD1 4.12Å; W283-I286 HydrophobicContact CZ3-CG2 4.15Å; W283-I286 PolarHBondContact O-N 3.3Å; D284-I286 PolarHBondContact O-N 3.33Å; I286-Q289 PolarHBondContact O-N 3.42Å; I286-A290 PolarHBondContact O-N 3.4Å; I286-A290 VanDerWaalsContact O-N 3.1Å; I286-T334 HydrophobicContact CG2-CG2 3.95Å; I286-A338 HydrophobicContact CG2-CB 4.04Å
287F93.3Very high91.5Very high6 Ų635 Ų353%0.02616%0.164CC..Hα-helixtrans-67-37.2-179.4-90.3-87.3000112.4Y142 R148 W283 D284 Q289 A290 D291 T334Y142-F287 AromaticContact CE1-CD2 3.69Å; Y142-F287 HydrophobicContact CE1-CD2 3.69Å; Y142-F287 AromaticContact CE1-CE2 3.59Å; Y142-F287 HydrophobicContact CE1-CE2 3.59Å; Y142-F287 AromaticContact CZ-CD2 3.98Å; Y142-F287 WeakPolarHBondContact OH-CD2 3.33Å; R148-F287 HydrophobicContact CB-CE1 4.46Å; R148-F287 HydrophobicContact CB-CZ 4.5Å; R148-F287 HydrophobicContact CG-CE1 4.47Å; W283-F287 HydrophobicContact CE3-CD2 4.13Å; W283-F287 AromaticContact CE3-CE2 3.86Å; W283-F287 HydrophobicContact CE3-CE2 3.86Å; W283-F287 HydrophobicContact CZ3-CE2 4.27Å; W283-F287 WeakPolarHBondContact O-CD2 3.38Å; W283-F287 PolarHBondContact O-N 2.69Å; D284-F287 PolarHBondContact O-N 3.31Å; F287-Q289 PolarHBondContact O-N 3.25Å; F287-A290 PolarHBondContact O-N 2.92Å; F287-D291 VanDerWaalsContact O-CB 3.28Å; F287-D291 WeakPolarHBondContact O-CB 3.24Å; F287-D291 PolarHBondContact O-N 3.4Å; F287-T334 HydrophobicContact CD1-CG2 4.08Å; F287-T334 HydrophobicContact CD2-CG2 4.34Å; F287-T334 HydrophobicContact CE1-CG2 3.98Å; F287-T334 HydrophobicContact CE2-CG2 4.23Å; F287-T334 HydrophobicContact CG-CG2 4.26Å; F287-T334 HydrophobicContact CZ-CG2 4.06Å
288N91.8Very high90.9Very high87 Ų8731 Ų3147%0.46515%0.15SC..Hα-helixtrans-63.6-41.5177.8-71.3-14.1000111.9D284 G285 R292D284-N288 VanDerWaalsContact O-CB 3.3Å; D284-N288 WeakPolarHBondContact O-CB 3.38Å; D284-N288 PolarHBondContact O-N 3.01Å; D284-N288 PolarHBondContact O-ND2 3.4Å; D284-N288 PolarHBondContact O-OD1 2.95Å; G285-N288 PolarHBondContact O-N 3.24Å; N288-R292 WeakPolarHBondContact O-CG 3.34Å; N288-R292 PolarHBondContact O-N 3.39Å; N288-R292 VanDerWaalsContact O-N 3.14Å
289Q87.8Confident90.3Very high23 Ų2336.7 Ų36.711%0.10717%0.169CC..Hα-helixtrans-64.8-46.3175.3-177.361.125.500111.3F246 G285 I286 F287 D291 R292 C293F246-Q289 HydrophobicContact CB-CB 4.4Å; F246-Q289 HydrophobicContact CB-CG 4.17Å; F246-Q289 HydrophobicContact CD2-CB 3.33Å; F246-Q289 HydrophobicContact CD2-CG 3.56Å; F246-Q289 HydrophobicContact CE2-CB 3.79Å; F246-Q289 HydrophobicContact CE2-CG 4.02Å; F246-Q289 HydrophobicContact CG-CB 4.1Å; F246-Q289 HydrophobicContact CG-CG 3.88Å; G285-Q289 PolarHBondContact O-N 3.49Å; I286-Q289 PolarHBondContact O-N 3.42Å; F287-Q289 PolarHBondContact O-N 3.25Å; Q289-D291 PolarHBondContact O-N 2.72Å; Q289-R292 WeakPolarHBondContact O-CB 3.38Å; Q289-R292 PolarHBondContact O-N 2.86Å; Q289-C293 PolarHBondContact O-N 3.22Å; Q289-C293 VanDerWaalsContact O-N 3.11Å
290A87.8Confident89.6Confident1 Ų140.3 Ų40.31%0.00819%0.186CC..Hα-helixtrans-62.6-43.6178.500000111.9I286 F287 R292 C293 I294 T334I286-A290 PolarHBondContact O-N 3.4Å; I286-A290 VanDerWaalsContact O-N 3.1Å; F287-A290 PolarHBondContact O-N 2.92Å; A290-R292 PolarHBondContact O-N 3.47Å; A290-C293 PolarHBondContact O-N 2.96Å; A290-I294 HydrophobicContact CB-CD1 4.44Å; A290-I294 VanDerWaalsContact O-CB 3.32Å; A290-I294 WeakPolarHBondContact O-CB 3.34Å; A290-I294 WeakPolarHBondContact O-CD1 3.18Å; A290-I294 WeakPolarHBondContact O-CG1 3.44Å; A290-I294 PolarHBondContact O-N 3.43Å; A290-T334 HydrophobicContact CB-CG2 3.7Å; A290-T334 VanDerWaalsContact CB-OG1 3.22Å; A290-T334 WeakPolarHBondContact CB-OG1 3.31Å
291D89.3Confident88.7Confident23 Ų2342.4 Ų42.412%0.12320%0.197CC..Hα-helixtrans-57.8-36.5176.3-82.6-36.3000111R148 F287 Q289 Q295 K330R148-D291 IonicContact CZ-OD2 2.62Å; R148-D291 IonicContact NH1-OD1 2.69Å; R148-D291 IonicContact NH1-OD2 3.96Å; R148-D291 PolarHBondContact NH1-OD2 3.08Å; R148-D291 IonicContact NH2-OD2 3.01Å; R148-D291 PolarHBondContact NH2-OD2 3.01Å; R148-D291 VanDerWaalsContact NH2-OD2 3.12Å; F287-D291 VanDerWaalsContact O-CB 3.28Å; F287-D291 WeakPolarHBondContact O-CB 3.24Å; F287-D291 PolarHBondContact O-N 3.4Å; Q289-D291 PolarHBondContact O-N 2.72Å; D291-Q295 WeakPolarHBondContact O-CB 3.29Å; D291-Q295 WeakPolarHBondContact O-CG 3.43Å; D291-Q295 PolarHBondContact O-N 3.25Å; D291-K330 WeakPolarHBondContact OD1-CE 3.38Å; D291-K330 IonicContact OD1-NZ 3.69Å; D291-K330 PolarHBondContact OD1-NZ 2.94Å
292R86.8Confident87.8Confident98 Ų9847.6 Ų47.637%0.3721%0.212SC..Hα-helixtrans-67.5-52.7175.2-75.917255.2147.8-12113.3E242 N288 Q289 A290 I294 Q295 N296E242-R292 IonicContact OE1-CZ 2.86Å; E242-R292 IonicContact OE1-NH1 2.8Å; E242-R292 PolarHBondContact OE1-NH1 3.37Å; E242-R292 IonicContact OE2-CZ 3.34Å; E242-R292 IonicContact OE2-NH1 2.82Å; E242-R292 PolarHBondContact OE2-NH1 2.63Å; E242-R292 IonicContact OE2-NH2 2.83Å; E242-R292 PolarHBondContact OE2-NH2 3.18Å; N288-R292 WeakPolarHBondContact O-CG 3.34Å; N288-R292 PolarHBondContact O-N 3.39Å; N288-R292 VanDerWaalsContact O-N 3.14Å; Q289-R292 WeakPolarHBondContact O-CB 3.38Å; Q289-R292 PolarHBondContact O-N 2.86Å; A290-R292 PolarHBondContact O-N 3.47Å; R292-I294 PolarHBondContact O-N 2.92Å; R292-Q295 PolarHBondContact O-N 3.05Å; R292-Q295 VanDerWaalsContact O-N 3.11Å; R292-N296 PolarHBondContact O-N 3.45Å
293C84.6Confident86.9Confident3 Ų354.7 Ų54.72%0.0225%0.245CC..Hα-helixtrans-55.1-43.4177.3-66.10000110.5Y228 Q289 A290 N296 I297Y228-C293 HydrophobicContact CD1-CB 3.94Å; Y228-C293 HydrophobicContact CD2-CB 3.77Å; Y228-C293 HydrophobicContact CE1-CB 3.87Å; Y228-C293 HydrophobicContact CE2-CB 3.7Å; Y228-C293 HydrophobicContact CG-CB 3.89Å; Q289-C293 PolarHBondContact O-N 3.22Å; Q289-C293 VanDerWaalsContact O-N 3.11Å; A290-C293 PolarHBondContact O-N 2.96Å; C293-N296 PolarHBondContact O-N 3.4Å; C293-I297 PolarHBondContact O-N 2.97Å
294I86.1Confident85.4Confident3 Ų359.2 Ų59.22%0.01527%0.267CS..Hα-helixtrans-62.8-46.3177.6-68.3162.8000111.3Y228 A290 R292 N296 I297 Y298 L315 K330Y228-I294 HydrophobicContact CE1-CG1 3.97Å; A290-I294 HydrophobicContact CB-CD1 4.44Å; A290-I294 VanDerWaalsContact O-CB 3.32Å; A290-I294 WeakPolarHBondContact O-CB 3.34Å; A290-I294 WeakPolarHBondContact O-CD1 3.18Å; A290-I294 WeakPolarHBondContact O-CG1 3.44Å; A290-I294 PolarHBondContact O-N 3.43Å; R292-I294 PolarHBondContact O-N 2.92Å; I294-N296 VanDerWaalsContact C-N 3.31Å; I294-N296 PolarHBondContact O-N 3.18Å; I294-I297 PolarHBondContact O-N 2.89Å; I294-Y298 HydrophobicContact CG2-CD2 3.67Å; I294-Y298 HydrophobicContact CG2-CE2 3.51Å; I294-Y298 WeakPolarHBondContact O-CD2 3.47Å; I294-Y298 PolarHBondContact O-N 3.07Å; I294-L315 HydrophobicContact CB-CD2 4.02Å; I294-L315 HydrophobicContact CG1-CD1 4.2Å; I294-L315 HydrophobicContact CG1-CD2 3.65Å; I294-L315 HydrophobicContact CG2-CD2 4.17Å; I294-K330 HydrophobicContact CD1-CB 4.02Å; I294-K330 HydrophobicContact CD1-CG 3.86Å; I294-K330 HydrophobicContact CG2-CD 4.3Å; I294-K330 HydrophobicContact CG2-CG 4.06Å
295Q86.8Confident83.4Confident101 Ų10163.4 Ų63.447%0.47229%0.293SS..Hα-helixtrans-61.6-37.2177.9-79.4176.18.200112.8D291 R292 Y298 R299D291-Q295 WeakPolarHBondContact O-CB 3.29Å; D291-Q295 WeakPolarHBondContact O-CG 3.43Å; D291-Q295 PolarHBondContact O-N 3.25Å; R292-Q295 PolarHBondContact O-N 3.05Å; R292-Q295 VanDerWaalsContact O-N 3.11Å; Q295-Y298 PolarHBondContact O-N 3.34Å; Q295-R299 WeakPolarHBondContact O-CG 3.26Å; Q295-R299 PolarHBondContact O-N 3.07Å; Q295-R299 VanDerWaalsContact O-N 3.13Å
296N84.1Confident81.6Confident58 Ų5872.2 Ų72.231%0.3133%0.332SS..Hα-helixtrans-63.3-47.3177.2-71.3-11.6000111.4R292 C293 I294 Y298 R299 Q300R292-N296 PolarHBondContact O-N 3.45Å; C293-N296 PolarHBondContact O-N 3.4Å; I294-N296 VanDerWaalsContact C-N 3.31Å; I294-N296 PolarHBondContact O-N 3.18Å; N296-Y298 VanDerWaalsContact C-N 3.33Å; N296-Y298 PolarHBondContact O-N 2.94Å; N296-R299 WeakPolarHBondContact O-CA 3.24Å; N296-R299 WeakPolarHBondContact O-CB 3.37Å; N296-R299 PolarHBondContact O-N 3.36Å; N296-Q300 PolarHBondContact O-N 3.3Å
297I84Confident79.6Confident2 Ų278.2 Ų78.21%0.0137%0.369CS..Hα-helixtrans-62.9-40.6177.6-69.1159.4000111.5Y228 C293 I294 R299 Q300 L301 L315Y228-I297 VanDerWaalsContact CA-CD1 3.5Å; Y228-I297 HydrophobicContact CD1-CD1 3.47Å; Y228-I297 VanDerWaalsContact CD1-CD1 3.47Å; Y228-I297 HydrophobicContact CG-CD1 3.94Å; Y228-I297 WeakPolarHBondContact O-CD1 3.47Å; C293-I297 PolarHBondContact O-N 2.97Å; I294-I297 PolarHBondContact O-N 2.89Å; I297-R299 PolarHBondContact O-N 3.5Å; I297-Q300 PolarHBondContact O-N 3.47Å; I297-L301 HydrophobicContact CG2-CD1 3.71Å; I297-L301 HydrophobicContact CG2-CG 4.05Å; I297-L301 WeakPolarHBondContact O-CB 3.5Å; I297-L301 WeakPolarHBondContact O-CG 3.42Å; I297-L301 PolarHBondContact O-N 2.86Å; I297-L315 HydrophobicContact CB-CD2 4.01Å; I297-L315 HydrophobicContact CD1-CB 4.22Å; I297-L315 HydrophobicContact CD1-CD2 3.41Å; I297-L315 VanDerWaalsContact CD1-CD2 3.41Å; I297-L315 HydrophobicContact CD1-CG 4.35Å; I297-L315 HydrophobicContact CG1-CD2 4.34Å; I297-L315 HydrophobicContact CG2-CD2 4.06Å
298Y82.8Confident77.8Confident58 Ų5880.8 Ų80.823%0.22739%0.387CS..Hα-helixtrans-59.2-35.1173.6-89.3-66.1000113I294 Q295 N296 R302 L319 I326I294-Y298 HydrophobicContact CG2-CD2 3.67Å; I294-Y298 HydrophobicContact CG2-CE2 3.51Å; I294-Y298 WeakPolarHBondContact O-CD2 3.47Å; I294-Y298 PolarHBondContact O-N 3.07Å; Q295-Y298 PolarHBondContact O-N 3.34Å; N296-Y298 VanDerWaalsContact C-N 3.33Å; N296-Y298 PolarHBondContact O-N 2.94Å; Y298-R302 WeakPolarHBondContact O-CB 3.42Å; Y298-R302 VanDerWaalsContact O-CG 3.24Å; Y298-R302 WeakPolarHBondContact O-CG 3.32Å; Y298-R302 PolarHBondContact O-N 2.81Å; Y298-L319 HydrophobicContact CD1-CD1 4.27Å; Y298-L319 HydrophobicContact CE1-CD1 3.81Å; Y298-L319 HydrophobicContact CE1-CD2 4Å; Y298-L319 HydrophobicContact CE2-CD1 4.18Å; Y298-L319 HydrophobicContact CE2-CD2 4.46Å; Y298-L319 WeakPolarHBondContact OH-CD2 3.09Å; Y298-I326 HydrophobicContact CE2-CG2 4.49Å; Y298-I326 WeakPolarHBondContact OH-CD1 3.22Å; Y298-I326 VanDerWaalsContact OH-CG1 3.27Å; Y298-I326 WeakPolarHBondContact OH-CG1 3.41Å; Y298-I326 WeakPolarHBondContact OH-CG2 3.43Å
299R84.2Confident76.6Confident138 Ų13887 Ų8752%0.52141%0.41SS..Hα-helixtrans-71.6-44.3176.1-68.9172.1-170.6153.93.5110.8Q295 N296 I297 R302 Q303Q295-R299 WeakPolarHBondContact O-CG 3.26Å; Q295-R299 PolarHBondContact O-N 3.07Å; Q295-R299 VanDerWaalsContact O-N 3.13Å; N296-R299 WeakPolarHBondContact O-CA 3.24Å; N296-R299 WeakPolarHBondContact O-CB 3.37Å; N296-R299 PolarHBondContact O-N 3.36Å; I297-R299 PolarHBondContact O-N 3.5Å; R299-R302 PolarHBondContact O-N 3.29Å; R299-Q303 VanDerWaalsContact O-CG 3.29Å; R299-Q303 WeakPolarHBondContact O-CG 3.41Å; R299-Q303 PolarHBondContact O-N 3.34Å
300Q80.1Confident76.2Confident76 Ų7693.1 Ų93.136%0.35544%0.439SS..Hα-helixtrans-60.2-52177.5-73.8164.3-7.700111.5E230 N296 I297 R302 Q303 E304E230-Q300 PolarHBondContact OE1-NE2 2.91Å; E230-Q300 PolarHBondContact OE1-OE1 3.28Å; N296-Q300 PolarHBondContact O-N 3.3Å; I297-Q300 PolarHBondContact O-N 3.47Å; Q300-R302 PolarHBondContact O-N 3.01Å; Q300-R302 VanDerWaalsContact O-N 3.09Å; Q300-Q303 PolarHBondContact O-N 3.16Å; Q300-E304 PolarHBondContact O-N 2.99Å
301L78.4Confident76.2Confident52 Ų5295 Ų9527%0.27245%0.446SS..Hα-helixtrans-60.3-23.9178.2-69.2175.4000113.6I297 P312 L319I297-L301 HydrophobicContact CG2-CD1 3.71Å; I297-L301 HydrophobicContact CG2-CG 4.05Å; I297-L301 WeakPolarHBondContact O-CB 3.5Å; I297-L301 WeakPolarHBondContact O-CG 3.42Å; I297-L301 PolarHBondContact O-N 2.86Å; L301-P312 HydrophobicContact CD2-CB 4.41Å; L301-L319 HydrophobicContact CD1-CB 4.49Å; L301-L319 HydrophobicContact CD1-CD1 3.96Å
302R78.9Confident76.1Confident219 Ų21995.8 Ų95.883%0.82645%0.453SS*.Hα-helixtrans-85-24.9174.6-78.2179.1174.5-162.1-0.9113.6Y298 R299 Q300Y298-R302 WeakPolarHBondContact O-CB 3.42Å; Y298-R302 VanDerWaalsContact O-CG 3.24Å; Y298-R302 WeakPolarHBondContact O-CG 3.32Å; Y298-R302 PolarHBondContact O-N 2.81Å; R299-R302 PolarHBondContact O-N 3.29Å; Q300-R302 PolarHBondContact O-N 3.01Å; Q300-R302 VanDerWaalsContact O-N 3.09Å
303Q76.4Confident76.4Confident149 Ų14991.1 Ų91.170%0.69644%0.435SS*.Hα-helixtrans-89.6-27.9-179.5-73.2174.3-2.500111.9R299 Q300 T305R299-Q303 VanDerWaalsContact O-CG 3.29Å; R299-Q303 WeakPolarHBondContact O-CG 3.41Å; R299-Q303 PolarHBondContact O-N 3.34Å; Q300-Q303 PolarHBondContact O-N 3.16Å; Q303-T305 PolarHBondContact O-N 3.26Å
304E66.6Low76.8Confident100 Ų10091 Ų9147%0.46743%0.434SS..SBendtrans-77.3103176.4-71.7-177.4-176.300111.2Q300 E306 S308Q300-E304 PolarHBondContact O-N 2.99Å; E304-E306 PolarHBondContact O-N 3.42Å; E304-E306 VanDerWaalsContact O-N 3.16Å; E304-S308 VanDerWaalsContact OE2-CB 3.32Å; E304-S308 WeakPolarHBondContact OE2-CB 3.41Å
305T54.2Low77.2Confident123 Ų12390.9 Ų90.976%0.75543%0.433SS*.  trans-74.298.2169.4-14.70000109.4Q303 T307Q303-T305 PolarHBondContact O-N 3.26Å; T305-T307 PolarHBondContact O-N 3.18Å; T305-T307 PolarHBondContact O-OG1 3.14Å
306E55.3Low77.4Confident196 Ų19686 Ų8692%0.91641%0.411SS*.SBendtrans48.49.2159.6-71-170.815800120.6E304E304-E306 PolarHBondContact O-N 3.42Å; E304-E306 VanDerWaalsContact O-N 3.16Å
307T51.5Low77.7Confident127 Ų12784.1 Ų84.178%0.77940%0.402SS*.  trans-141.124.2-171.55.50000117.7T305T305-T307 PolarHBondContact O-N 3.18Å; T305-T307 PolarHBondContact O-OG1 3.14Å
308S57Low78.1Confident60 Ų6084.1 Ų84.142%0.4240%0.402SS..  trans-83.9118.6161.7-174.20000109.7E304 E310E304-S308 VanDerWaalsContact OE2-CB 3.32Å; E304-S308 WeakPolarHBondContact OE2-CB 3.41Å; S308-E310 PolarHBondContact OG-N 3.08Å
309K65.5Low78.5Confident216 Ų21682.7 Ų82.794%0.93940%0.398SS*.  trans-81.2-1.2171.2-75.3-174.8178.3178.50112.4
310E79.6Confident78.7Confident153 Ų15382 Ų8272%0.71540%0.404SS*.SBendtrans-81.7147-174.2-160.1167.3-174.600111.2S308 P312S308-E310 PolarHBondContact OG-N 3.08Å; E310-P312 WeakPolarHBondContact O-CD 3.15Å
311Y88.1Confident79.1Confident39 Ų3981.4 Ų81.415%0.15340%0.403CS..  trans-71.9119.5-178.4175.7-111.1000110.4M176 N179 F180 L183 G313 V314 S317M176-Y311 HydrophobicContact CE-CE2 3.64Å; M176-Y311 WeakPolarHBondContact CE-OH 3.49Å; N179-Y311 HydrophobicContact CB-CD1 3.73Å; N179-Y311 HydrophobicContact CB-CD2 3.92Å; N179-Y311 HydrophobicContact CB-CE1 3.96Å; N179-Y311 HydrophobicContact CB-CE2 4.16Å; N179-Y311 HydrophobicContact CB-CG 3.71Å; N179-Y311 WeakPolarHBondContact ND2-CD2 3.29Å; F180-Y311 HydrophobicContact CD1-CE1 4.24Å; F180-Y311 HydrophobicContact CE1-CE1 4.06Å; L183-Y311 HydrophobicContact CD1-CD1 3.99Å; L183-Y311 HydrophobicContact CD1-CE1 4.35Å; Y311-G313 PolarHBondContact O-N 3.47Å; Y311-V314 WeakPolarHBondContact OH-CA 3.45Å; Y311-V314 PolarHBondContact OH-N 3.31Å; Y311-S317 WeakPolarHBondContact CE2-OG 3.47Å
312P87.2Confident79.6Confident41 Ų4185.1 Ų85.127%0.26642%0.423SS..  trans-81.816.7-170.735.5-39.4000114L301 E310 L320L301-P312 HydrophobicContact CD2-CB 4.41Å; E310-P312 WeakPolarHBondContact O-CD 3.15Å; P312-L320 HydrophobicContact CG-CD1 4.27Å
313G92.5Very high80.3Confident0 Ų081.6 Ų81.60%041%0.414CS..Hα-helixtrans74169.1-17100000113.9V226 Y311 L315 G316 S317V226-G313 WeakPolarHBondContact O-CA 3.47Å; Y311-G313 PolarHBondContact O-N 3.47Å; G313-L315 VanDerWaalsContact C-N 3.29Å; G313-L315 PolarHBondContact O-N 3.34Å; G313-G316 PolarHBondContact O-N 2.87Å; G313-S317 PolarHBondContact O-N 3.38Å; G313-S317 PolarHBondContact O-OG 3.24Å; G313-S317 VanDerWaalsContact O-OG 3.12Å
314V94.4Very high81Confident0 Ų075.4 Ų75.40%039%0.385CS..Hα-helixtrans-58.7-39.9-178.3173.60000112E170 V171 F180 V226 L227 Y311 S317 L318E170-V314 HydrophobicContact CB-CG1 4.32Å; V171-V314 HydrophobicContact CG2-CG1 3.76Å; V171-V314 HydrophobicContact CG2-CG2 4.39Å; F180-V314 HydrophobicContact CE1-CG2 3.88Å; F180-V314 HydrophobicContact CZ-CG2 3.9Å; V226-V314 HydrophobicContact CG1-CG2 4.18Å; V226-V314 PolarHBondContact O-N 2.95Å; L227-V314 HydrophobicContact CD2-CB 4Å; L227-V314 HydrophobicContact CD2-CG1 4.27Å; L227-V314 HydrophobicContact CD2-CG2 4.16Å; L227-V314 PolarHBondContact O-N 3.07Å; Y311-V314 WeakPolarHBondContact OH-CA 3.45Å; Y311-V314 PolarHBondContact OH-N 3.31Å; V314-S317 PolarHBondContact O-N 2.86Å; V314-L318 HydrophobicContact CG1-CD1 3.78Å; V314-L318 HydrophobicContact CG1-CG 4.3Å; V314-L318 WeakPolarHBondContact O-CB 3.39Å; V314-L318 VanDerWaalsContact O-CG 3.24Å; V314-L318 WeakPolarHBondContact O-CG 3.46Å; V314-L318 PolarHBondContact O-N 3.35Å
315L93.3Very high82.3Confident0 Ų073.5 Ų73.50%038%0.383CS..Hα-helixtrans-61.2-52177.7-178.774.6000110.6L227 Y228 I294 I297 G313 S317 L318 L319 I329 V333L227-L315 VanDerWaalsContact O-CB 3.31Å; L227-L315 WeakPolarHBondContact O-CB 3.45Å; L227-L315 PolarHBondContact O-N 3.35Å; Y228-L315 HydrophobicContact CD1-CB 4.12Å; Y228-L315 HydrophobicContact CD1-CD2 3.98Å; Y228-L315 HydrophobicContact CE1-CB 4.47Å; Y228-L315 HydrophobicContact CE1-CD2 4.12Å; I294-L315 HydrophobicContact CB-CD2 4.02Å; I294-L315 HydrophobicContact CG1-CD1 4.2Å; I294-L315 HydrophobicContact CG1-CD2 3.65Å; I294-L315 HydrophobicContact CG2-CD2 4.17Å; I297-L315 HydrophobicContact CB-CD2 4.01Å; I297-L315 HydrophobicContact CD1-CB 4.22Å; I297-L315 HydrophobicContact CD1-CD2 3.41Å; I297-L315 VanDerWaalsContact CD1-CD2 3.41Å; I297-L315 HydrophobicContact CD1-CG 4.35Å; I297-L315 HydrophobicContact CG1-CD2 4.34Å; I297-L315 HydrophobicContact CG2-CD2 4.06Å; G313-L315 VanDerWaalsContact C-N 3.29Å; G313-L315 PolarHBondContact O-N 3.34Å; L315-S317 VanDerWaalsContact C-N 3.33Å; L315-S317 PolarHBondContact O-N 3.4Å; L315-L318 PolarHBondContact O-N 3.48Å; L315-L319 HydrophobicContact CD2-CD1 4.45Å; L315-L319 HydrophobicContact CG-CD1 4.07Å; L315-L319 HydrophobicContact CG-CG 4.46Å; L315-L319 VanDerWaalsContact O-CG 3.29Å; L315-L319 WeakPolarHBondContact O-CG 3.41Å; L315-L319 PolarHBondContact O-N 3.2Å; L315-I329 HydrophobicContact CD1-CG2 3.41Å; L315-I329 VanDerWaalsContact CD1-CG2 3.41Å; L315-V333 HydrophobicContact CD1-CB 4.31Å; L315-V333 HydrophobicContact CD1-CG1 4.38Å; L315-V333 HydrophobicContact CD1-CG2 3.92Å
316G90.6Very high84Confident0 Ų071.9 Ų71.90%037%0.369CS..Hα-helixtrans-58.8-44.6179.700000111.8G313 L318 L319 L320G313-G316 PolarHBondContact O-N 2.87Å; G316-L318 PolarHBondContact O-N 3.11Å; G316-L319 PolarHBondContact O-N 2.95Å; G316-L320 WeakPolarHBondContact O-CG 3.44Å; G316-L320 PolarHBondContact O-N 2.91Å
317S91.3Very high85.7Confident18 Ų1866.7 Ų66.713%0.12635%0.345CS..Hα-helixtrans-61-42.4176.1-55.40000112.9E170 Y311 G313 V314 L315 L319 L320 L321E170-S317 WeakPolarHBondContact OE2-CB 3.24Å; Y311-S317 WeakPolarHBondContact CE2-OG 3.47Å; G313-S317 PolarHBondContact O-N 3.38Å; G313-S317 PolarHBondContact O-OG 3.24Å; G313-S317 VanDerWaalsContact O-OG 3.12Å; V314-S317 PolarHBondContact O-N 2.86Å; L315-S317 VanDerWaalsContact C-N 3.33Å; L315-S317 PolarHBondContact O-N 3.4Å; S317-L319 VanDerWaalsContact C-N 3.34Å; S317-L319 PolarHBondContact O-N 3.33Å; S317-L320 PolarHBondContact O-N 3.4Å; S317-L321 VanDerWaalsContact O-CB 3.29Å; S317-L321 WeakPolarHBondContact O-CB 3.4Å; S317-L321 PolarHBondContact O-N 3.1Å
318L92.9Very high87.7Confident2 Ų262 Ų621%0.0132%0.315CS..Hα-helixtrans-66-36.2177.3-73.4169000112.6I166 L167 E170 V314 L315 G316 D322 L324 I329 V333I166-L318 HydrophobicContact CG2-CD2 4.13Å; L167-L318 HydrophobicContact CD2-CD1 3.66Å; L167-L318 HydrophobicContact CD2-CD2 4.14Å; E170-L318 HydrophobicContact CB-CD2 4.21Å; E170-L318 HydrophobicContact CB-CG 4.42Å; E170-L318 HydrophobicContact CG-CD2 3.63Å; E170-L318 HydrophobicContact CG-CG 4.09Å; V314-L318 HydrophobicContact CG1-CD1 3.78Å; V314-L318 HydrophobicContact CG1-CG 4.3Å; V314-L318 WeakPolarHBondContact O-CB 3.39Å; V314-L318 VanDerWaalsContact O-CG 3.24Å; V314-L318 WeakPolarHBondContact O-CG 3.46Å; V314-L318 PolarHBondContact O-N 3.35Å; L315-L318 PolarHBondContact O-N 3.48Å; G316-L318 PolarHBondContact O-N 3.11Å; L318-D322 PolarHBondContact O-N 3.43Å; L318-L324 HydrophobicContact CD2-CD1 4.46Å; L318-I329 HydrophobicContact CB-CD1 4.08Å; L318-I329 HydrophobicContact CB-CG1 4.21Å; L318-I329 HydrophobicContact CB-CG2 4.04Å; L318-I329 HydrophobicContact CD1-CG2 4.23Å; L318-V333 HydrophobicContact CD1-CG2 4.09Å
319L90.7Very high89.4Confident27 Ų2759.2 Ų59.214%0.14130%0.295CS..Hα-helixtrans-67.2-43.8175.9-69.1175000111.6Y298 L301 L315 G316 S317 L321 D322 I329Y298-L319 HydrophobicContact CD1-CD1 4.27Å; Y298-L319 HydrophobicContact CE1-CD1 3.81Å; Y298-L319 HydrophobicContact CE1-CD2 4Å; Y298-L319 HydrophobicContact CE2-CD1 4.18Å; Y298-L319 HydrophobicContact CE2-CD2 4.46Å; Y298-L319 WeakPolarHBondContact OH-CD2 3.09Å; L301-L319 HydrophobicContact CD1-CB 4.49Å; L301-L319 HydrophobicContact CD1-CD1 3.96Å; L315-L319 HydrophobicContact CD2-CD1 4.45Å; L315-L319 HydrophobicContact CG-CD1 4.07Å; L315-L319 HydrophobicContact CG-CG 4.46Å; L315-L319 VanDerWaalsContact O-CG 3.29Å; L315-L319 WeakPolarHBondContact O-CG 3.41Å; L315-L319 PolarHBondContact O-N 3.2Å; G316-L319 PolarHBondContact O-N 2.95Å; S317-L319 VanDerWaalsContact C-N 3.34Å; S317-L319 PolarHBondContact O-N 3.33Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 PolarHBondContact O-N 3.29Å; L319-D322 PolarHBondContact O-N 2.75Å; L319-I329 HydrophobicContact CD2-CD1 3.91Å; L319-I329 HydrophobicContact CD2-CG2 4.46Å
320L88Confident90.7Very high125 Ų12550.6 Ų50.665%0.65426%0.258SS*.Hα-helixtrans-67.8-32177.4-68.5172000112.7P312 G316 S317 D322P312-L320 HydrophobicContact CG-CD1 4.27Å; G316-L320 WeakPolarHBondContact O-CG 3.44Å; G316-L320 PolarHBondContact O-N 2.91Å; S317-L320 PolarHBondContact O-N 3.4Å; L320-D322 VanDerWaalsContact C-N 3.27Å; L320-D322 PolarHBondContact O-N 3.4Å
321L88.9Confident91.4Very high62 Ų6243.5 Ų43.533%0.32523%0.225SC..Hα-helixtrans-67.7-28.3179-17759.3000112.5I166 S317 L319 K323I166-L321 HydrophobicContact CG2-CD2 3.9Å; S317-L321 VanDerWaalsContact O-CB 3.29Å; S317-L321 WeakPolarHBondContact O-CB 3.4Å; S317-L321 PolarHBondContact O-N 3.1Å; L319-L321 VanDerWaalsContact C-N 3.32Å; L319-L321 PolarHBondContact O-N 3.29Å; L321-K323 VanDerWaalsContact C-N 3.27Å; L321-K323 HydrophobicContact CD1-CG 4.1Å; L321-K323 HydrophobicContact CD2-CB 4.48Å; L321-K323 HydrophobicContact CD2-CG 4.31Å; L321-K323 HydrophobicContact CG-CB 4.2Å; L321-K323 HydrophobicContact CG-CG 3.73Å; L321-K323 WeakPolarHBondContact O-CG 3.22Å; L321-K323 PolarHBondContact O-N 3.11Å
322D88.9Confident91.8Very high130 Ų13041.7 Ų41.770%0.69522%0.218SC*.THydrogen-bonded Turntrans48.244.2178-164.735.9000113.8L318 L319 L320L318-D322 PolarHBondContact O-N 3.43Å; L319-D322 PolarHBondContact O-N 2.75Å; L320-D322 VanDerWaalsContact C-N 3.27Å; L320-D322 PolarHBondContact O-N 3.4Å
323K93.3Very high92.1Very high146 Ų14639.7 Ų39.764%0.63521%0.205SC*.  trans-111.8-6.5176.2-62.2-60171.3-160.50113.9I166 L321I166-K323 HydrophobicContact CD1-CB 3.81Å; I166-K323 WeakPolarHBondContact CD1-O 3.36Å; I166-K323 HydrophobicContact CG1-CB 4.39Å; I166-K323 HydrophobicContact CG2-CB 4.36Å; L321-K323 VanDerWaalsContact C-N 3.27Å; L321-K323 HydrophobicContact CD1-CG 4.1Å; L321-K323 HydrophobicContact CD2-CB 4.48Å; L321-K323 HydrophobicContact CD2-CG 4.31Å; L321-K323 HydrophobicContact CG-CB 4.2Å; L321-K323 HydrophobicContact CG-CG 3.73Å; L321-K323 WeakPolarHBondContact O-CG 3.22Å; L321-K323 PolarHBondContact O-N 3.11Å
324L91.9Very high92.2Very high18 Ų1839.8 Ų39.89%0.09421%0.206CC..SBendtrans-128.4147.5176.5-71.8176.4000109.1I166 L167 L318 I329I166-L324 HydrophobicContact CB-CD1 4.17Å; I166-L324 HydrophobicContact CB-CG 4.26Å; I166-L324 HydrophobicContact CD1-CD2 3.61Å; I166-L324 HydrophobicContact CD1-CG 3.82Å; I166-L324 HydrophobicContact CG2-CD1 3.87Å; I166-L324 HydrophobicContact CG2-CG 3.97Å; L167-L324 HydrophobicContact CD2-CD1 4.47Å; L167-L324 HydrophobicContact CG-CD1 4.4Å; L318-L324 HydrophobicContact CD2-CD1 4.46Å; L324-I329 HydrophobicContact CB-CD1 4.03Å; L324-I329 HydrophobicContact CB-CG1 3.59Å; L324-I329 HydrophobicContact CD1-CG1 4.29Å
325S92.7Very high92.2Very high61 Ų6140.4 Ų40.443%0.42721%0.209SC..  trans-61.5147.6171.573.40000110E327 D328 I329S325-E327 PolarHBondContact O-N 2.63Å; S325-D328 WeakPolarHBondContact O-CB 3.21Å; S325-D328 PolarHBondContact O-N 3.39Å; S325-D328 WeakPolarHBondContact OG-CB 3.09Å; S325-D328 PolarHBondContact OG-N 2.89Å; S325-D328 PolarHBondContact OG-OD2 2.89Å; S325-I329 WeakPolarHBondContact O-CG1 3.21Å; S325-I329 PolarHBondContact O-N 2.8Å
326I90.8Very high92.3Very high89 Ų8941.4 Ų41.446%0.45621%0.214SC..Hα-helixtrans-51.2-45.5176.9-68.6175.3000110.6Y298 D328 I329 K330Y298-I326 HydrophobicContact CE2-CG2 4.49Å; Y298-I326 WeakPolarHBondContact OH-CD1 3.22Å; Y298-I326 VanDerWaalsContact OH-CG1 3.27Å; Y298-I326 WeakPolarHBondContact OH-CG1 3.41Å; Y298-I326 WeakPolarHBondContact OH-CG2 3.43Å; I326-D328 VanDerWaalsContact C-N 3.33Å; I326-D328 PolarHBondContact O-N 3.37Å; I326-I329 WeakPolarHBondContact O-CB 3.32Å; I326-I329 PolarHBondContact O-N 3.14Å; I326-K330 HydrophobicContact CG2-CD 3.88Å; I326-K330 HydrophobicContact CG2-CG 4.19Å; I326-K330 WeakPolarHBondContact O-CB 3.28Å; I326-K330 VanDerWaalsContact O-CG 3.24Å; I326-K330 WeakPolarHBondContact O-CG 3.2Å; I326-K330 PolarHBondContact O-N 3.11Å
327E90.7Very high92.5Very high86 Ų8641.5 Ų41.540%0.40221%0.214SC..Hα-helixtrans-65.6-33.5-179.4-65.8-60.4125.200113.3K149 S325 K330 A331K149-E327 HydrophobicContact CG-CB 3.84Å; S325-E327 PolarHBondContact O-N 2.63Å; E327-K330 IonicContact OE1-NZ 3.62Å; E327-A331 VanDerWaalsContact O-CB 3.31Å; E327-A331 WeakPolarHBondContact O-CB 3.39Å; E327-A331 PolarHBondContact O-N 3.3Å
328D93.3Very high92.5Very high28 Ų2840.8 Ų40.815%0.1521%0.21CC..Hα-helixtrans-69.9-39.1174.4-73.6-34.7000112.4K155 S325 I326 S332K155-D328 IonicContact NZ-OD1 3.32Å; K155-D328 PolarHBondContact NZ-OD1 3.39Å; K155-D328 IonicContact NZ-OD2 2.9Å; S325-D328 WeakPolarHBondContact O-CB 3.21Å; S325-D328 PolarHBondContact O-N 3.39Å; S325-D328 WeakPolarHBondContact OG-CB 3.09Å; S325-D328 PolarHBondContact OG-N 2.89Å; S325-D328 PolarHBondContact OG-OD2 2.89Å; I326-D328 VanDerWaalsContact C-N 3.33Å; I326-D328 PolarHBondContact O-N 3.37Å; D328-S332 VanDerWaalsContact O-CB 3.29Å; D328-S332 WeakPolarHBondContact O-CB 3.49Å; D328-S332 PolarHBondContact O-N 3.19Å; D328-S332 PolarHBondContact O-OG 3.41Å
329I93.5Very high92.6Very high2 Ų242.2 Ų42.21%0.0123%0.225CC..Hα-helixtrans-61.7-53173.8-65.4170.6000108.7L315 L318 L319 L324 S325 I326 A331 S332 V333L315-I329 HydrophobicContact CD1-CG2 3.41Å; L315-I329 VanDerWaalsContact CD1-CG2 3.41Å; L318-I329 HydrophobicContact CB-CD1 4.08Å; L318-I329 HydrophobicContact CB-CG1 4.21Å; L318-I329 HydrophobicContact CB-CG2 4.04Å; L318-I329 HydrophobicContact CD1-CG2 4.23Å; L319-I329 HydrophobicContact CD2-CD1 3.91Å; L319-I329 HydrophobicContact CD2-CG2 4.46Å; L324-I329 HydrophobicContact CB-CD1 4.03Å; L324-I329 HydrophobicContact CB-CG1 3.59Å; L324-I329 HydrophobicContact CD1-CG1 4.29Å; S325-I329 WeakPolarHBondContact O-CG1 3.21Å; S325-I329 PolarHBondContact O-N 2.8Å; I326-I329 WeakPolarHBondContact O-CB 3.32Å; I326-I329 PolarHBondContact O-N 3.14Å; I329-A331 PolarHBondContact O-N 2.98Å; I329-S332 PolarHBondContact O-N 3.36Å; I329-V333 HydrophobicContact CG2-CG2 4.15Å; I329-V333 WeakPolarHBondContact O-CB 3.38Å; I329-V333 WeakPolarHBondContact O-CG2 3.29Å; I329-V333 PolarHBondContact O-N 3.01Å
330K92.3Very high92.7Very high36 Ų3641.4 Ų41.416%0.15722%0.223CC..Hα-helixtrans-55.4-48.8179.2-69.6-178.666.8-171.90112D291 I294 I326 E327 T334D291-K330 WeakPolarHBondContact OD1-CE 3.38Å; D291-K330 IonicContact OD1-NZ 3.69Å; D291-K330 PolarHBondContact OD1-NZ 2.94Å; I294-K330 HydrophobicContact CD1-CB 4.02Å; I294-K330 HydrophobicContact CD1-CG 3.86Å; I294-K330 HydrophobicContact CG2-CD 4.3Å; I294-K330 HydrophobicContact CG2-CG 4.06Å; I326-K330 HydrophobicContact CG2-CD 3.88Å; I326-K330 HydrophobicContact CG2-CG 4.19Å; I326-K330 WeakPolarHBondContact O-CB 3.28Å; I326-K330 VanDerWaalsContact O-CG 3.24Å; I326-K330 WeakPolarHBondContact O-CG 3.2Å; I326-K330 PolarHBondContact O-N 3.11Å; E327-K330 IonicContact OE1-NZ 3.62Å; K330-T334 VanDerWaalsContact O-CB 3.3Å; K330-T334 WeakPolarHBondContact O-CB 3.5Å; K330-T334 PolarHBondContact O-N 2.95Å; K330-T334 PolarHBondContact O-OG1 3.33Å
331A94.6Very high92.9Very high4 Ų435.5 Ų35.53%0.03319%0.192CC..Hα-helixtrans-63.8-42.6-179.700000112.2K149 E327 I329 E335K149-A331 HydrophobicContact CB-CB 4.1Å; E327-A331 VanDerWaalsContact O-CB 3.31Å; E327-A331 WeakPolarHBondContact O-CB 3.39Å; E327-A331 PolarHBondContact O-N 3.3Å; I329-A331 PolarHBondContact O-N 2.98Å; A331-E335 WeakPolarHBondContact O-CG 3.25Å; A331-E335 PolarHBondContact O-N 3.42Å; A331-E335 VanDerWaalsContact O-N 3.13Å
332S95.8Very high93.1Very high0 Ų032.7 Ų32.70%018%0.178CC..Hα-helixtrans-73-39.8-178.2-58.40000112.8V152 D328 I329 E335 L336V152-S332 PolarHBondContact N-OG 2.9Å; D328-S332 VanDerWaalsContact O-CB 3.29Å; D328-S332 WeakPolarHBondContact O-CB 3.49Å; D328-S332 PolarHBondContact O-N 3.19Å; D328-S332 PolarHBondContact O-OG 3.41Å; I329-S332 PolarHBondContact O-N 3.36Å; S332-E335 PolarHBondContact O-N 3.13Å; S332-L336 WeakPolarHBondContact O-CG 3.28Å; S332-L336 PolarHBondContact O-N 3.41Å
333V94.4Very high93.5Very high0 Ų028.3 Ų28.30%016%0.156CC..Hα-helixtrans-68.4-38.6176.5175.70000110.8L227 Y228 L315 L318 I329 E335 L336 M337L227-V333 HydrophobicContact CB-CG1 4.26Å; L227-V333 HydrophobicContact CD1-CG1 4.2Å; Y228-V333 HydrophobicContact CD1-CG1 4.37Å; Y228-V333 HydrophobicContact CE1-CG1 3.49Å; Y228-V333 VanDerWaalsContact CE1-CG1 3.49Å; L315-V333 HydrophobicContact CD1-CB 4.31Å; L315-V333 HydrophobicContact CD1-CG1 4.38Å; L315-V333 HydrophobicContact CD1-CG2 3.92Å; L318-V333 HydrophobicContact CD1-CG2 4.09Å; I329-V333 HydrophobicContact CG2-CG2 4.15Å; I329-V333 WeakPolarHBondContact O-CB 3.38Å; I329-V333 WeakPolarHBondContact O-CG2 3.29Å; I329-V333 PolarHBondContact O-N 3.01Å; V333-E335 VanDerWaalsContact C-N 3.31Å; V333-E335 PolarHBondContact O-N 2.83Å; V333-L336 PolarHBondContact O-N 3.44Å; V333-M337 WeakPolarHBondContact O-CB 3.45Å; V333-M337 PolarHBondContact O-N 2.82Å
334T94.3Very high93.7Very high1 Ų121.5 Ų21.51%0.00613%0.126CC..Hα-helixtrans-60.1-41.1172.8-56.40000111.7I286 F287 A290 K330 M337 A338I286-T334 HydrophobicContact CG2-CG2 3.95Å; F287-T334 HydrophobicContact CD1-CG2 4.08Å; F287-T334 HydrophobicContact CD2-CG2 4.34Å; F287-T334 HydrophobicContact CE1-CG2 3.98Å; F287-T334 HydrophobicContact CE2-CG2 4.23Å; F287-T334 HydrophobicContact CG-CG2 4.26Å; F287-T334 HydrophobicContact CZ-CG2 4.06Å; A290-T334 HydrophobicContact CB-CG2 3.7Å; A290-T334 VanDerWaalsContact CB-OG1 3.22Å; A290-T334 WeakPolarHBondContact CB-OG1 3.31Å; K330-T334 VanDerWaalsContact O-CB 3.3Å; K330-T334 WeakPolarHBondContact O-CB 3.5Å; K330-T334 PolarHBondContact O-N 2.95Å; K330-T334 PolarHBondContact O-OG1 3.33Å; T334-M337 PolarHBondContact O-N 3.17Å; T334-A338 WeakPolarHBondContact O-CB 3.16Å; T334-A338 PolarHBondContact O-N 3.38Å
335E95.2Very high94Very high14 Ų1420.7 Ų20.77%0.06512%0.122CC..Hα-helixtrans-67.1-37.6175.8-76172.4-172.500112.8R143 G151 V152 L153 A331 S332 V333 G339R143-E335 IonicContact CZ-OE1 2.74Å; R143-E335 IonicContact NH1-OE1 3.36Å; R143-E335 PolarHBondContact NH1-OE1 2.98Å; R143-E335 IonicContact NH2-OE1 2.71Å; R143-E335 PolarHBondContact NH2-OE1 3.14Å; G151-E335 VanDerWaalsContact CA-OE1 3.27Å; G151-E335 WeakPolarHBondContact CA-OE1 3.47Å; G151-E335 WeakPolarHBondContact CA-OE2 3.33Å; G151-E335 PolarHBondContact N-OE1 3.18Å; V152-E335 PolarHBondContact N-OE2 2.91Å; L153-E335 HydrophobicContact CB-CG 4.46Å; L153-E335 WeakPolarHBondContact CB-OE2 3.4Å; L153-E335 PolarHBondContact N-OE2 2.62Å; A331-E335 WeakPolarHBondContact O-CG 3.25Å; A331-E335 PolarHBondContact O-N 3.42Å; A331-E335 VanDerWaalsContact O-N 3.13Å; S332-E335 PolarHBondContact O-N 3.13Å; V333-E335 VanDerWaalsContact C-N 3.31Å; V333-E335 PolarHBondContact O-N 2.83Å; E335-G339 PolarHBondContact O-N 3.48Å
336L95.3Very high94.2Very high21 Ų2118.3 Ų18.311%0.1110%0.104CC..Hα-helixtrans-65.3-45.4174.2-77.3167.9000111.7V171 L227 S332 V333 G339 G340 L474V171-L336 HydrophobicContact CG2-CD1 4.21Å; L227-L336 HydrophobicContact CD1-CB 3.82Å; L227-L336 HydrophobicContact CD2-CB 4.13Å; L227-L336 HydrophobicContact CD2-CD1 4.15Å; S332-L336 WeakPolarHBondContact O-CG 3.28Å; S332-L336 PolarHBondContact O-N 3.41Å; V333-L336 PolarHBondContact O-N 3.44Å; L336-G339 PolarHBondContact O-N 2.99Å; L336-G340 PolarHBondContact O-N 2.79Å; L336-L474 HydrophobicContact CD1-CD2 3.97Å; L336-L474 HydrophobicContact CD2-CB 4.09Å; L336-L474 HydrophobicContact CD2-CD2 3.76Å; L336-L474 HydrophobicContact CD2-CG 3.82Å; L336-L474 HydrophobicContact CG-CD2 4.12Å
337M93.2Very high94.5Very high1 Ų114.2 Ų14.21%0.0058%0.084CC..Hα-helixtrans-58.7-52.6177.1-176.775.2165.300110.6L220 V223 L227 Y228 L232 F246 V333 T334 G339 G340L220-M337 HydrophobicContact CD1-CE 3.35Å; L220-M337 HydrophobicContact CD1-SD 4.22Å; V223-M337 HydrophobicContact CG1-SD 3.77Å; L227-M337 HydrophobicContact CD1-CB 3.83Å; L227-M337 HydrophobicContact CD1-SD 4.34Å; Y228-M337 HydrophobicContact CD2-CE 4.34Å; Y228-M337 HydrophobicContact CD2-SD 4.15Å; Y228-M337 HydrophobicContact CE2-CE 3.81Å; Y228-M337 HydrophobicContact CE2-CG 4.14Å; Y228-M337 HydrophobicContact CE2-SD 3.49Å; Y228-M337 WeakPolarHBondContact CE2-SD 3.34Å; L232-M337 HydrophobicContact CD1-CE 4.2Å; F246-M337 HydrophobicContact CE1-CE 4.09Å; F246-M337 HydrophobicContact CE1-CG 4.08Å; F246-M337 HydrophobicContact CZ-CE 4.32Å; F246-M337 HydrophobicContact CZ-CG 3.65Å; V333-M337 WeakPolarHBondContact O-CB 3.45Å; V333-M337 PolarHBondContact O-N 2.82Å; T334-M337 PolarHBondContact O-N 3.17Å; M337-G339 VanDerWaalsContact C-N 3.3Å; M337-G339 PolarHBondContact O-N 3.34Å; M337-G340 PolarHBondContact O-N 3.05Å
338A92.4Very high94.9Very high4 Ų410.1 Ų10.13%0.0337%0.065CC..Hα-helixtrans-62.6-36.5178.600000112.7I286 T334 G340I286-A338 HydrophobicContact CG2-CB 4.04Å; T334-A338 WeakPolarHBondContact O-CB 3.16Å; T334-A338 PolarHBondContact O-N 3.38Å; A338-G340 VanDerWaalsContact C-N 3.34Å
339G93.9Very high95.2Very high32 Ų328.9 Ų8.933%0.336%0.058SC..Hα-helixtrans-73-22.5177.200000114.3E335 L336 M337 T343E335-G339 PolarHBondContact O-N 3.48Å; L336-G339 PolarHBondContact O-N 2.99Å; M337-G339 VanDerWaalsContact C-N 3.3Å; M337-G339 PolarHBondContact O-N 3.34Å; G339-T343 WeakPolarHBondContact O-CG2 3.22Å; G339-T343 PolarHBondContact O-OG1 3.28Å
340G94.3Very high95.4Very high10 Ų108.9 Ų8.910%0.1036%0.058CC..Hα-helixtrans-80.7-18.8-175.600000115.1L336 M337 A338 T344L336-G340 PolarHBondContact O-N 2.79Å; M337-G340 PolarHBondContact O-N 3.05Å; A338-G340 VanDerWaalsContact C-N 3.34Å; G340-T344 PolarHBondContact O-OG1 2.82Å; G340-T344 VanDerWaalsContact O-OG1 3.07Å
341V92.5Very high95.7Very high0 Ų07.1 Ų7.10%05%0.05CC..Hα-helixtrans-81.1-65.9-172.2-175.20000112.3F216 A219 L220 V223 F246 I250 T343 S345F216-V341 HydrophobicContact CB-CG1 4.46Å; F216-V341 HydrophobicContact CD1-CG1 4.21Å; A219-V341 WeakPolarHBondContact CB-O 3.17Å; L220-V341 HydrophobicContact CB-CG1 4.34Å; L220-V341 HydrophobicContact CB-CG2 4.07Å; L220-V341 HydrophobicContact CD1-CG2 3.79Å; L220-V341 HydrophobicContact CG-CG2 4.48Å; V223-V341 HydrophobicContact CG1-CG2 4.49Å; F246-V341 HydrophobicContact CE1-CG2 4.13Å; I250-V341 HydrophobicContact CD1-CB 3.76Å; I250-V341 HydrophobicContact CD1-CG1 4.34Å; I250-V341 HydrophobicContact CD1-CG2 3.45Å; I250-V341 VanDerWaalsContact CD1-CG2 3.45Å; V341-T343 VanDerWaalsContact C-N 3.28Å; V341-T343 PolarHBondContact O-N 3.43Å; V341-S345 VanDerWaalsContact O-CB 3.29Å; V341-S345 WeakPolarHBondContact O-CB 3.31Å; V341-S345 PolarHBondContact O-OG 3.32Å
342D92.6Very high95.9Very high4 Ų47 Ų72%0.0215%0.049CC..Hα-helixtrans-73.1-21.9-172.4-72.314.6000112.8F216 I250 F254 S345 I346 I511F216-D342 HydrophobicContact CE1-CB 4.26Å; F216-D342 WeakPolarHBondContact CE1-OD1 3.5Å; I250-D342 WeakPolarHBondContact CG2-OD1 3.09Å; F254-D342 HydrophobicContact CD2-CB 4.34Å; F254-D342 VanDerWaalsContact CD2-OD2 3.22Å; F254-D342 WeakPolarHBondContact CD2-OD2 3.49Å; F254-D342 HydrophobicContact CE2-CB 3.89Å; D342-S345 WeakPolarHBondContact CA-OG 3.4Å; D342-S345 PolarHBondContact O-OG 2.88Å; D342-I346 VanDerWaalsContact O-CB 3.29Å; D342-I346 WeakPolarHBondContact O-CB 3.19Å; D342-I346 WeakPolarHBondContact O-CG1 3.34Å; D342-I346 PolarHBondContact O-N 2.98Å; D342-I511 HydrophobicContact CB-CD1 3.71Å
343T96.4Very high95.9Very high38 Ų387.7 Ų7.723%0.2335%0.052CC..Hα-helixtrans-78.8-50.3-171.462.50000113G339 V341 T347 V403G339-T343 WeakPolarHBondContact O-CG2 3.22Å; G339-T343 PolarHBondContact O-OG1 3.28Å; V341-T343 VanDerWaalsContact C-N 3.28Å; V341-T343 PolarHBondContact O-N 3.43Å; T343-T347 WeakPolarHBondContact O-CB 3.42Å; T343-T347 PolarHBondContact O-N 2.81Å; T343-T347 PolarHBondContact O-OG1 2.85Å; T343-V403 HydrophobicContact CG2-CG1 3.84Å
344T98Very high96.1Very high3 Ų38 Ų82%0.0185%0.053CC..Hα-helixtrans-74.7-42.3179.155.10000111.1A219 G340 I346 T347 L348 A479 E482 M483A219-T344 VanDerWaalsContact CB-OG1 3.31Å; A219-T344 WeakPolarHBondContact CB-OG1 3.13Å; G340-T344 PolarHBondContact O-OG1 2.82Å; G340-T344 VanDerWaalsContact O-OG1 3.07Å; T344-I346 PolarHBondContact O-N 3.48Å; T344-T347 PolarHBondContact O-N 2.88Å; T344-T347 VanDerWaalsContact O-N 3.15Å; T344-L348 WeakPolarHBondContact O-CB 3.47Å; T344-L348 WeakPolarHBondContact O-CG 3.09Å; T344-L348 PolarHBondContact O-N 3.15Å; T344-A479 HydrophobicContact CG2-CB 3.56Å; T344-E482 WeakPolarHBondContact CB-OE1 3.28Å; T344-E482 PolarHBondContact OG1-OE1 3.14Å; T344-M483 HydrophobicContact CG2-CG 4.28Å; T344-M483 HydrophobicContact CG2-SD 4.46Å
345S97.3Very high96.2Very high1 Ų18 Ų81%0.0075%0.053CC..Hα-helixtrans-55.1-46.6177.957.70000112.9L215 F216 V341 D342 L348 L349L215-S345 WeakPolarHBondContact O-CB 3.4Å; F216-S345 WeakPolarHBondContact CD1-OG 3.3Å; F216-S345 VanDerWaalsContact CE1-OG 3.23Å; F216-S345 WeakPolarHBondContact CE1-OG 3.34Å; V341-S345 VanDerWaalsContact O-CB 3.29Å; V341-S345 WeakPolarHBondContact O-CB 3.31Å; V341-S345 PolarHBondContact O-OG 3.32Å; D342-S345 WeakPolarHBondContact CA-OG 3.4Å; D342-S345 PolarHBondContact O-OG 2.88Å; S345-L348 PolarHBondContact O-N 2.82Å; S345-L349 WeakPolarHBondContact O-CB 3.31Å; S345-L349 PolarHBondContact O-N 2.98Å
346I97.1Very high96.3Very high10 Ų107.6 Ų7.65%0.0515%0.052CC..Hα-helixtrans-70.3-37.5178.2-65.1-63000111.9F216 D342 T344 L349 W350 L513F216-I346 HydrophobicContact CE1-CD1 4.27Å; F216-I346 HydrophobicContact CE1-CG1 4.31Å; F216-I346 HydrophobicContact CZ-CD1 3.97Å; F216-I346 HydrophobicContact CZ-CG1 4.48Å; D342-I346 VanDerWaalsContact O-CB 3.29Å; D342-I346 WeakPolarHBondContact O-CB 3.19Å; D342-I346 WeakPolarHBondContact O-CG1 3.34Å; D342-I346 PolarHBondContact O-N 2.98Å; T344-I346 PolarHBondContact O-N 3.48Å; I346-L349 HydrophobicContact CD1-CD2 4.45Å; I346-L349 PolarHBondContact O-N 2.96Å; I346-W350 VanDerWaalsContact O-CD1 3.23Å; I346-W350 PolarHBondContact O-N 3.39Å; I346-L513 HydrophobicContact CD1-CD2 3.86Å; I346-L513 HydrophobicContact CG1-CD2 3.65Å; I346-L513 HydrophobicContact CG2-CD2 4.34Å
347T98.6Very high96.3Very high4 Ų411 Ų113%0.0256%0.063CC..Hα-helixtrans-65.2-40.9175.7-55.50000111.1T343 T344 T351 T397 L398 V403 M483T343-T347 WeakPolarHBondContact O-CB 3.42Å; T343-T347 PolarHBondContact O-N 2.81Å; T343-T347 PolarHBondContact O-OG1 2.85Å; T344-T347 PolarHBondContact O-N 2.88Å; T344-T347 VanDerWaalsContact O-N 3.15Å; T347-T351 WeakPolarHBondContact O-CB 3.14Å; T347-T351 PolarHBondContact O-N 3.04Å; T347-T351 PolarHBondContact O-OG1 2.75Å; T347-T397 HydrophobicContact CG2-CG2 4.13Å; T347-L398 HydrophobicContact CG2-CD2 3.81Å; T347-L398 HydrophobicContact CG2-CG 4.01Å; T347-V403 WeakPolarHBondContact OG1-CG2 3.29Å; T347-M483 HydrophobicContact CG2-CE 4.33Å; T347-M483 HydrophobicContact CG2-SD 3.51Å; T347-M483 VanDerWaalsContact CG2-SD 3.51Å
348L98.8Very high96.5Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-63.4-44.5173.4-74.3176.8000111.3L215 Y218 T344 S345 W350 T351 L352 M483 F486 L487L215-L348 HydrophobicContact CD1-CB 4.29Å; L215-L348 HydrophobicContact CD2-CB 4.18Å; L215-L348 HydrophobicContact CD2-CD1 4.35Å; Y218-L348 HydrophobicContact CD1-CD1 3.99Å; Y218-L348 HydrophobicContact CE1-CD1 3.92Å; T344-L348 WeakPolarHBondContact O-CB 3.47Å; T344-L348 WeakPolarHBondContact O-CG 3.09Å; T344-L348 PolarHBondContact O-N 3.15Å; S345-L348 PolarHBondContact O-N 2.82Å; L348-W350 PolarHBondContact O-N 3.14Å; L348-T351 WeakPolarHBondContact O-CB 3.39Å; L348-T351 PolarHBondContact O-N 2.81Å; L348-T351 VanDerWaalsContact O-N 3.1Å; L348-L352 WeakPolarHBondContact O-CG 3.34Å; L348-L352 PolarHBondContact O-N 3.44Å; L348-M483 HydrophobicContact CD1-CG 4.33Å; L348-M483 HydrophobicContact CD2-CB 3.78Å; L348-M483 HydrophobicContact CD2-CG 3.78Å; L348-M483 HydrophobicContact CG-CB 4.41Å; L348-M483 HydrophobicContact CG-CG 3.85Å; L348-M483 HydrophobicContact CG-SD 4.46Å; L348-F486 HydrophobicContact CB-CE1 4.38Å; L348-F486 HydrophobicContact CD1-CB 4.17Å; L348-F486 HydrophobicContact CD1-CD1 3.77Å; L348-F486 HydrophobicContact CD1-CD2 4.19Å; L348-F486 HydrophobicContact CD1-CE1 4.17Å; L348-F486 HydrophobicContact CD1-CG 3.76Å; L348-F486 HydrophobicContact CD2-CB 4.27Å; L348-F486 HydrophobicContact CD2-CD1 3.42Å; L348-F486 VanDerWaalsContact CD2-CD1 3.42Å; L348-F486 HydrophobicContact CD2-CE1 4.03Å; L348-F486 HydrophobicContact CD2-CG 4.07Å; L348-F486 HydrophobicContact CG-CD1 4.08Å; L348-F486 HydrophobicContact CG-CE1 4.42Å; L348-L487 HydrophobicContact CD2-CG 4.35Å
349L97.9Very high96.6Very high1 Ų117.5 Ų17.51%0.00510%0.099CC..Hα-helixtrans-59.3-46.7178.4-174.662.8000111.9L211 S212 L215 S345 I346 T351 L352 Y353 P514 I518L211-L349 HydrophobicContact CB-CD1 4.23Å; S212-L349 VanDerWaalsContact OG-CD2 3.27Å; S212-L349 WeakPolarHBondContact OG-CD2 3.48Å; L215-L349 HydrophobicContact CD1-CB 3.63Å; L215-L349 HydrophobicContact CD1-CD1 3.87Å; L215-L349 HydrophobicContact CD1-CG 4.33Å; S345-L349 WeakPolarHBondContact O-CB 3.31Å; S345-L349 PolarHBondContact O-N 2.98Å; I346-L349 HydrophobicContact CD1-CD2 4.45Å; I346-L349 PolarHBondContact O-N 2.96Å; L349-T351 VanDerWaalsContact C-N 3.32Å; L349-T351 PolarHBondContact O-N 2.63Å; L349-L352 PolarHBondContact O-N 3.11Å; L349-Y353 WeakPolarHBondContact O-CB 3.2Å; L349-Y353 PolarHBondContact O-N 3.12Å; L349-P514 HydrophobicContact CD2-CG 4.02Å; L349-I518 HydrophobicContact CD1-CB 4.05Å; L349-I518 HydrophobicContact CD1-CG2 4.09Å; L349-I518 HydrophobicContact CD2-CB 4.37Å; L349-I518 HydrophobicContact CD2-CD1 3.99Å; L349-I518 HydrophobicContact CG-CB 4.25Å; L349-I518 HydrophobicContact CG-CD1 3.84Å
350W98.3Very high96.8Very high2 Ų222.1 Ų22.11%0.00812%0.117CC..Hα-helixtrans-63.3-38174.4-80.1119.9000112.3I346 L348 Y353 E354 T397 H401 V504 P514 I518I346-W350 VanDerWaalsContact O-CD1 3.23Å; I346-W350 PolarHBondContact O-N 3.39Å; L348-W350 PolarHBondContact O-N 3.14Å; W350-Y353 AromaticContact CE3-CD1 3.67Å; W350-Y353 HydrophobicContact CE3-CD1 3.67Å; W350-Y353 HydrophobicContact CE3-CE1 4.17Å; W350-Y353 HydrophobicContact CE3-CG 4.28Å; W350-Y353 AromaticContact CZ3-CD1 3.75Å; W350-Y353 HydrophobicContact CZ3-CD1 3.75Å; W350-Y353 AromaticContact CZ3-CE1 3.79Å; W350-Y353 HydrophobicContact CZ3-CE1 3.79Å; W350-Y353 HydrophobicContact CZ3-CG 4.42Å; W350-Y353 WeakPolarHBondContact O-CB 3.41Å; W350-Y353 PolarHBondContact O-N 3.41Å; W350-E354 WeakPolarHBondContact O-CG 3.36Å; W350-E354 PolarHBondContact O-N 3.41Å; W350-T397 HydrophobicContact CB-CG2 3.62Å; W350-H401 HydrophobicContact CB-CB 4.04Å; W350-H401 HydrophobicContact CD2-CB 3.97Å; W350-H401 AromaticContact CD2-CD2 3.85Å; W350-H401 AromaticContact CD2-CE1 3.95Å; W350-H401 AromaticContact CD2-CG 3.56Å; W350-H401 AromaticContact CD2-ND1 3.68Å; W350-H401 AromaticContact CE2-CG 4Å; W350-H401 AromaticContact CE2-ND1 3.85Å; W350-H401 AromaticContact CE3-CD2 3.82Å; W350-H401 AromaticContact CE3-CE1 3.49Å; W350-H401 VanDerWaalsContact CE3-CE1 3.49Å; W350-H401 AromaticContact CE3-CG 3.85Å; W350-H401 AromaticContact CE3-ND1 3.7Å; W350-H401 AromaticContact CE3-NE2 3.58Å; W350-H401 HydrophobicContact CG-CB 3.63Å; W350-H401 AromaticContact CG-CD2 3.9Å; W350-H401 AromaticContact CG-CG 3.66Å; W350-H401 AromaticContact CZ3-CE1 3.55Å; W350-H401 AromaticContact CZ3-ND1 3.89Å; W350-V504 HydrophobicContact CH2-CB 4.08Å; W350-V504 HydrophobicContact CH2-CG1 3.71Å; W350-V504 HydrophobicContact CZ2-CG1 4.47Å; W350-V504 HydrophobicContact CZ3-CB 4.2Å; W350-V504 HydrophobicContact CZ3-CG1 4.22Å; W350-P514 HydrophobicContact CH2-CB 4.48Å; W350-P514 HydrophobicContact CZ2-CB 4Å; W350-P514 HydrophobicContact CZ2-CG 3.87Å; W350-I518 HydrophobicContact CD2-CD1 4.48Å; W350-I518 HydrophobicContact CE3-CD1 4.2Å; W350-I518 HydrophobicContact CZ3-CD1 4.25Å
351T98.7Very high97Very high0 Ų022.5 Ų22.50%012%0.116CC..Hα-helixtrans-63.1-50176-55.70000110.6T347 L348 L349 Y353 E354 L355 L394 T397 L487T347-T351 WeakPolarHBondContact O-CB 3.14Å; T347-T351 PolarHBondContact O-N 3.04Å; T347-T351 PolarHBondContact O-OG1 2.75Å; L348-T351 WeakPolarHBondContact O-CB 3.39Å; L348-T351 PolarHBondContact O-N 2.81Å; L348-T351 VanDerWaalsContact O-N 3.1Å; L349-T351 VanDerWaalsContact C-N 3.32Å; L349-T351 PolarHBondContact O-N 2.63Å; T351-Y353 VanDerWaalsContact C-N 3.29Å; T351-Y353 PolarHBondContact O-N 2.96Å; T351-E354 PolarHBondContact O-N 3.37Å; T351-E354 VanDerWaalsContact O-N 3.14Å; T351-L355 HydrophobicContact CG2-CD1 4.32Å; T351-L355 HydrophobicContact CG2-CG 4.35Å; T351-L355 VanDerWaalsContact O-CG 3.31Å; T351-L355 WeakPolarHBondContact O-CG 3.15Å; T351-L355 PolarHBondContact O-N 3.48Å; T351-L394 HydrophobicContact CG2-CD2 4.5Å; T351-T397 WeakPolarHBondContact OG1-CB 3.29Å; T351-T397 WeakPolarHBondContact OG1-CG2 3.49Å; T351-T397 PolarHBondContact OG1-OG1 2.88Å; T351-L487 HydrophobicContact CG2-CD1 3.9Å; T351-L487 HydrophobicContact CG2-CD2 3.97Å
352L98.3Very high97.3Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-59.8-38.9176.9-64.8178.4000112.1L211 L215 L348 L349 L355 A356 F486 L487 I496 L520L211-L352 HydrophobicContact CD1-CD1 3.92Å; L215-L352 HydrophobicContact CD1-CD1 4.26Å; L348-L352 WeakPolarHBondContact O-CG 3.34Å; L348-L352 PolarHBondContact O-N 3.44Å; L349-L352 PolarHBondContact O-N 3.11Å; L352-L355 PolarHBondContact O-N 3.26Å; L352-A356 WeakPolarHBondContact O-CB 3.26Å; L352-A356 PolarHBondContact O-N 2.91Å; L352-F486 HydrophobicContact CD1-CE1 4.07Å; L352-F486 HydrophobicContact CD1-CZ 4.22Å; L352-F486 HydrophobicContact CD2-CE1 4.21Å; L352-F486 HydrophobicContact CG-CE1 4.36Å; L352-L487 HydrophobicContact CD2-CD2 4.35Å; L352-I496 HydrophobicContact CD2-CD1 3.5Å; L352-I496 VanDerWaalsContact CD2-CD1 3.5Å; L352-I496 HydrophobicContact CD2-CG1 4.26Å; L352-L520 HydrophobicContact CB-CD1 3.67Å
353Y97.1Very high97.6Very high16 Ų1625.8 Ų25.86%0.06313%0.131CC..Hα-helixtrans-60.1-46.7173.6171-101.6000112.2L349 W350 T351 A356 R357 V504 I518L349-Y353 WeakPolarHBondContact O-CB 3.2Å; L349-Y353 PolarHBondContact O-N 3.12Å; W350-Y353 AromaticContact CE3-CD1 3.67Å; W350-Y353 HydrophobicContact CE3-CD1 3.67Å; W350-Y353 HydrophobicContact CE3-CE1 4.17Å; W350-Y353 HydrophobicContact CE3-CG 4.28Å; W350-Y353 AromaticContact CZ3-CD1 3.75Å; W350-Y353 HydrophobicContact CZ3-CD1 3.75Å; W350-Y353 AromaticContact CZ3-CE1 3.79Å; W350-Y353 HydrophobicContact CZ3-CE1 3.79Å; W350-Y353 HydrophobicContact CZ3-CG 4.42Å; W350-Y353 WeakPolarHBondContact O-CB 3.41Å; W350-Y353 PolarHBondContact O-N 3.41Å; T351-Y353 VanDerWaalsContact C-N 3.29Å; T351-Y353 PolarHBondContact O-N 2.96Å; Y353-A356 PolarHBondContact O-N 3.19Å; Y353-R357 VanDerWaalsContact CE1-CD 3.44Å; Y353-R357 VanDerWaalsContact CZ-CD 3.41Å; Y353-R357 WeakPolarHBondContact O-CG 3.37Å; Y353-R357 PolarHBondContact O-N 2.7Å; Y353-V504 HydrophobicContact CE2-CB 4.21Å; Y353-V504 HydrophobicContact CE2-CG2 3.95Å; Y353-V504 PolarHBondContact OH-N 2.71Å; Y353-V504 VanDerWaalsContact OH-N 3.16Å; Y353-I518 HydrophobicContact CD2-CD1 4.47Å; Y353-I518 HydrophobicContact CD2-CG1 4.47Å; Y353-I518 HydrophobicContact CD2-CG2 3.96Å; Y353-I518 HydrophobicContact CG-CD1 4.38Å; Y353-I518 HydrophobicContact CG-CG2 4.42Å
354E97.6Very high97.7Very high6 Ų629.2 Ų29.23%0.02815%0.145CC..Hα-helixtrans-69.1-38178.8-64.7-62.3175.300112.1W350 T351 A356 R357 H358 H401 Y448W350-E354 WeakPolarHBondContact O-CG 3.36Å; W350-E354 PolarHBondContact O-N 3.41Å; T351-E354 PolarHBondContact O-N 3.37Å; T351-E354 VanDerWaalsContact O-N 3.14Å; E354-A356 VanDerWaalsContact C-N 3.32Å; E354-A356 PolarHBondContact O-N 2.87Å; E354-R357 PolarHBondContact O-N 2.87Å; E354-R357 VanDerWaalsContact O-N 3.11Å; E354-R357 IonicContact OE1-NH1 3.24Å; E354-R357 PolarHBondContact OE1-NH1 3.22Å; E354-R357 IonicContact OE2-CZ 2.97Å; E354-R357 IonicContact OE2-NH1 4Å; E354-R357 PolarHBondContact OE2-NH1 2.89Å; E354-H358 PolarHBondContact O-N 3.44Å; E354-H358 VanDerWaalsContact O-N 3.1Å; E354-H358 PolarHBondContact O-ND1 3.33Å; E354-H358 IonicContact OE2-CE1 2.61Å; E354-H358 IonicContact OE2-ND1 2.9Å; E354-H401 IonicContact OE1-CD2 3.22Å; E354-H401 IonicContact OE1-CE1 3.84Å; E354-H401 IonicContact OE1-NE2 3.7Å; E354-H401 PolarHBondContact OE1-NE2 3.02Å; E354-Y448 HydrophobicContact CB-CD1 3.93Å; E354-Y448 HydrophobicContact CB-CD2 3.69Å; E354-Y448 HydrophobicContact CB-CE1 3.89Å; E354-Y448 HydrophobicContact CB-CE2 3.68Å; E354-Y448 HydrophobicContact CB-CG 3.83Å; E354-Y448 HydrophobicContact CG-CD2 3.54Å; E354-Y448 HydrophobicContact CG-CE2 3.7Å; E354-Y448 HydrophobicContact CG-CG 4.07Å
355L97.8Very high97.7Very high1 Ų129.1 Ų29.11%0.00514%0.144CC..Hα-helixtrans-63.5-37.5174-64.7-173000112.4T351 L352 R357 H358 Q362 L365 L487 L491 I496T351-L355 HydrophobicContact CG2-CD1 4.32Å; T351-L355 HydrophobicContact CG2-CG 4.35Å; T351-L355 VanDerWaalsContact O-CG 3.31Å; T351-L355 WeakPolarHBondContact O-CG 3.15Å; T351-L355 PolarHBondContact O-N 3.48Å; L352-L355 PolarHBondContact O-N 3.26Å; L355-R357 PolarHBondContact O-N 2.89Å; L355-H358 CarbonylContact O-C 3.43Å; L355-H358 PolarHBondContact O-N 3.26Å; L355-Q362 HydrophobicContact CB-CG 4.34Å; L355-Q362 PolarHBondContact O-NE2 3.09Å; L355-Q362 VanDerWaalsContact O-NE2 3.12Å; L355-L365 HydrophobicContact CD1-CD1 4.39Å; L355-L365 HydrophobicContact CD2-CD1 3.3Å; L355-L365 HydrophobicContact CG-CD1 4.47Å; L355-L487 HydrophobicContact CD1-CD2 4.36Å; L355-L491 HydrophobicContact CD1-CD2 4.34Å; L355-I496 HydrophobicContact CD1-CD1 4.49Å
356A96.6Very high97.8Very high5 Ų530.3 Ų30.34%0.04115%0.149CC..Hα-helixtrans-67-25.1174.900000112.9L352 Y353 E354 I496 K498 L520L352-A356 WeakPolarHBondContact O-CB 3.26Å; L352-A356 PolarHBondContact O-N 2.91Å; Y353-A356 PolarHBondContact O-N 3.19Å; E354-A356 VanDerWaalsContact C-N 3.32Å; E354-A356 PolarHBondContact O-N 2.87Å; A356-I496 HydrophobicContact CB-CG2 4.06Å; A356-K498 HydrophobicContact CB-CB 4.26Å; A356-L520 HydrophobicContact CB-CD2 3.8Å
357R95Very high97.8Very high94 Ų9432.8 Ų32.836%0.35517%0.171SC..Hα-helixtrans-85.2-17.4175.8-70.6173.870.4-155.611.3113.3Y353 E354 L355 K498Y353-R357 VanDerWaalsContact CE1-CD 3.44Å; Y353-R357 VanDerWaalsContact CZ-CD 3.41Å; Y353-R357 WeakPolarHBondContact O-CG 3.37Å; Y353-R357 PolarHBondContact O-N 2.7Å; E354-R357 PolarHBondContact O-N 2.87Å; E354-R357 VanDerWaalsContact O-N 3.11Å; E354-R357 IonicContact OE1-NH1 3.24Å; E354-R357 PolarHBondContact OE1-NH1 3.22Å; E354-R357 IonicContact OE2-CZ 2.97Å; E354-R357 IonicContact OE2-NH1 4Å; E354-R357 PolarHBondContact OE2-NH1 2.89Å; L355-R357 PolarHBondContact O-N 2.89Å; R357-K498 HydrophobicContact CG-CD 4.3Å
358H96.5Very high97.8Very high62 Ų6234.2 Ų34.229%0.28718%0.177SC..  trans-127.873.9-177.2-55.988000111.2E354 L355 N360 L361 Q362E354-H358 PolarHBondContact O-N 3.44Å; E354-H358 VanDerWaalsContact O-N 3.1Å; E354-H358 PolarHBondContact O-ND1 3.33Å; E354-H358 IonicContact OE2-CE1 2.61Å; E354-H358 IonicContact OE2-ND1 2.9Å; L355-H358 CarbonylContact O-C 3.43Å; L355-H358 PolarHBondContact O-N 3.26Å; H358-N360 VanDerWaalsContact C-N 3.31Å; H358-N360 PolarHBondContact O-N 3.29Å; H358-L361 HydrophobicContact CB-CB 3.86Å; H358-L361 HydrophobicContact CB-CD2 4.14Å; H358-L361 WeakPolarHBondContact O-CB 3.49Å; H358-L361 PolarHBondContact O-N 3.01Å; H358-L361 VanDerWaalsContact O-N 3.13Å; H358-Q362 PolarHBondContact O-N 3.05Å
359P96.1Very high97.8Very high78 Ų7834.3 Ų34.351%0.50618%0.177SC..Hα-helixtrans-56.2-40.6-176-26.635.2000114L361 Q362 E363P359-L361 PolarHBondContact O-N 2.89Å; P359-Q362 VanDerWaalsContact O-CB 3.32Å; P359-Q362 WeakPolarHBondContact O-CB 3.36Å; P359-Q362 PolarHBondContact O-N 3.17Å; P359-Q362 VanDerWaalsContact O-N 3.14Å; P359-E363 PolarHBondContact O-N 3.26Å
360N97.7Very high97.9Very high130 Ų13036.7 Ų36.770%0.69520%0.198SC*.Hα-helixtrans-61.6-44.5178.8-63.4-6.6000111.6H358 Q362 E363 E364H358-N360 VanDerWaalsContact C-N 3.31Å; H358-N360 PolarHBondContact O-N 3.29Å; N360-Q362 VanDerWaalsContact C-N 3.29Å; N360-Q362 PolarHBondContact O-N 2.93Å; N360-E363 PolarHBondContact O-N 3.37Å; N360-E363 VanDerWaalsContact O-N 3.16Å; N360-E364 WeakPolarHBondContact O-CG 3.36Å; N360-E364 PolarHBondContact O-N 3.48Å
361L98.1Very high97.9Very high18 Ų1839.5 Ų39.59%0.09422%0.221CC..Hα-helixtrans-64.3-35.5175.9174.763.6000111.8H358 P359 E363 E364 L365 L389 Y448 P450H358-L361 HydrophobicContact CB-CB 3.86Å; H358-L361 HydrophobicContact CB-CD2 4.14Å; H358-L361 WeakPolarHBondContact O-CB 3.49Å; H358-L361 PolarHBondContact O-N 3.01Å; H358-L361 VanDerWaalsContact O-N 3.13Å; P359-L361 PolarHBondContact O-N 2.89Å; L361-E363 VanDerWaalsContact C-N 3.32Å; L361-E364 PolarHBondContact O-N 3.38Å; L361-L365 HydrophobicContact CD1-CD1 4.28Å; L361-L365 HydrophobicContact CD1-CG 4.34Å; L361-L365 HydrophobicContact CG-CD1 4.09Å; L361-L365 WeakPolarHBondContact O-CB 3.19Å; L361-L365 WeakPolarHBondContact O-CG 3.36Å; L361-L365 PolarHBondContact O-N 3Å; L361-L389 HydrophobicContact CD1-CD2 4.5Å; L361-Y448 HydrophobicContact CD2-CD1 3.57Å; L361-Y448 HydrophobicContact CD2-CE1 3.69Å; L361-P450 HydrophobicContact CD1-CG 4.02Å; L361-P450 HydrophobicContact CD2-CG 3.72Å; L361-P450 HydrophobicContact CG-CG 4.41Å
362Q98.5Very high97.9Very high3 Ų339.7 Ų39.71%0.01422%0.223CC..Hα-helixtrans-62.1-40.6174.2-166.5-173.8125.100111.4L355 H358 P359 N360 R366 L491 I496L355-Q362 HydrophobicContact CB-CG 4.34Å; L355-Q362 PolarHBondContact O-NE2 3.09Å; L355-Q362 VanDerWaalsContact O-NE2 3.12Å; H358-Q362 PolarHBondContact O-N 3.05Å; P359-Q362 VanDerWaalsContact O-CB 3.32Å; P359-Q362 WeakPolarHBondContact O-CB 3.36Å; P359-Q362 PolarHBondContact O-N 3.17Å; P359-Q362 VanDerWaalsContact O-N 3.14Å; N360-Q362 VanDerWaalsContact C-N 3.29Å; N360-Q362 PolarHBondContact O-N 2.93Å; Q362-R366 WeakPolarHBondContact O-CB 3.5Å; Q362-R366 PolarHBondContact O-N 3.25Å; Q362-L491 HydrophobicContact CG-CD2 4.01Å; Q362-I496 PolarHBondContact NE2-O 3.27Å
363E98.3Very high97.9Very high69 Ų6942.6 Ų42.632%0.32223%0.234SC..Hα-helixtrans-69.4-37.4174.7-60.2-57152.700112.2P359 N360 L361 R366 A367 R495P359-E363 PolarHBondContact O-N 3.26Å; N360-E363 PolarHBondContact O-N 3.37Å; N360-E363 VanDerWaalsContact O-N 3.16Å; L361-E363 VanDerWaalsContact C-N 3.32Å; E363-R366 PolarHBondContact O-N 3.33Å; E363-R366 IonicContact OE1-CZ 2.98Å; E363-R366 IonicContact OE1-NH1 3.92Å; E363-R366 PolarHBondContact OE1-NH1 3.49Å; E363-R366 IonicContact OE2-CZ 3.82Å; E363-R366 IonicContact OE2-NH1 3.39Å; E363-R366 PolarHBondContact OE2-NH1 3.18Å; E363-A367 WeakPolarHBondContact O-CB 3.31Å; E363-A367 PolarHBondContact O-N 3.48Å; E363-R495 IonicContact OE1-CZ 2.86Å; E363-R495 IonicContact OE1-NE 3.34Å; E363-R495 PolarHBondContact OE1-NE 3.12Å; E363-R495 IonicContact OE1-NH2 3.54Å; E363-R495 PolarHBondContact OE1-NH2 3.35Å
364E98.4Very high97.9Very high110 Ų11047.3 Ų47.351%0.51426%0.264SS..Hα-helixtrans-60.6-46.5173.5-71.9172.1-142.500112N360 L361 R366 A367 E368 L389N360-E364 WeakPolarHBondContact O-CG 3.36Å; N360-E364 PolarHBondContact O-N 3.48Å; L361-E364 PolarHBondContact O-N 3.38Å; E364-R366 VanDerWaalsContact C-N 3.34Å; E364-A367 PolarHBondContact O-N 2.85Å; E364-E368 PolarHBondContact O-N 3.48Å; E364-L389 HydrophobicContact CB-CD2 4.16Å
365L98.7Very high97.9Very high2 Ų249.6 Ų49.61%0.0128%0.284CS..Hα-helixtrans-63.8-39.5176-74.6163.9000111.9L355 L361 E368 V369 L389 V390 A393 L491L355-L365 HydrophobicContact CD1-CD1 4.39Å; L355-L365 HydrophobicContact CD2-CD1 3.3Å; L355-L365 HydrophobicContact CG-CD1 4.47Å; L361-L365 HydrophobicContact CD1-CD1 4.28Å; L361-L365 HydrophobicContact CD1-CG 4.34Å; L361-L365 HydrophobicContact CG-CD1 4.09Å; L361-L365 WeakPolarHBondContact O-CB 3.19Å; L361-L365 WeakPolarHBondContact O-CG 3.36Å; L361-L365 PolarHBondContact O-N 3Å; L365-E368 PolarHBondContact O-N 3.27Å; L365-V369 WeakPolarHBondContact O-CG2 3.35Å; L365-V369 PolarHBondContact O-N 2.96Å; L365-L389 VanDerWaalsContact CD2-C 3.45Å; L365-L389 HydrophobicContact CD2-CB 3.95Å; L365-L389 HydrophobicContact CD2-CD2 3.91Å; L365-L389 HydrophobicContact CD2-CG 3.61Å; L365-L389 HydrophobicContact CG-CD2 4.13Å; L365-L389 HydrophobicContact CG-CG 4.29Å; L365-V390 HydrophobicContact CD2-CB 4.26Å; L365-V390 HydrophobicContact CD2-CG2 3.75Å; L365-A393 HydrophobicContact CD1-CB 4.21Å; L365-A393 HydrophobicContact CD2-CB 4.29Å; L365-L491 HydrophobicContact CB-CD1 3.86Å; L365-L491 HydrophobicContact CB-CD2 4.31Å
366R98.7Very high97.9Very high26 Ų2650 Ų5010%0.09829%0.287CS..Hα-helixtrans-63.4-42.3175.5-177.3175.9-65.4104.32.1111.9Q362 E363 E364 E368 V369 A370 L491 F494Q362-R366 WeakPolarHBondContact O-CB 3.5Å; Q362-R366 PolarHBondContact O-N 3.25Å; E363-R366 PolarHBondContact O-N 3.33Å; E363-R366 IonicContact OE1-CZ 2.98Å; E363-R366 IonicContact OE1-NH1 3.92Å; E363-R366 PolarHBondContact OE1-NH1 3.49Å; E363-R366 IonicContact OE2-CZ 3.82Å; E363-R366 IonicContact OE2-NH1 3.39Å; E363-R366 PolarHBondContact OE2-NH1 3.18Å; E364-R366 VanDerWaalsContact C-N 3.34Å; R366-E368 VanDerWaalsContact C-N 3.34Å; R366-V369 PolarHBondContact O-N 3.03Å; R366-A370 WeakPolarHBondContact O-CB 3.42Å; R366-A370 PolarHBondContact O-N 3.15Å; R366-L491 PolarHBondContact NE-O 2.99Å; R366-F494 PolarHBondContact NH2-O 3.1Å
367A98.6Very high98Very high62 Ų6258.8 Ų58.851%0.51233%0.327SS..Hα-helixtrans-62.9-40.1175.300000111.9E363 E364 A370 A371E363-A367 WeakPolarHBondContact O-CB 3.31Å; E363-A367 PolarHBondContact O-N 3.48Å; E364-A367 PolarHBondContact O-N 2.85Å; A367-A370 PolarHBondContact O-N 2.69Å; A367-A371 WeakPolarHBondContact O-CB 3.14Å; A367-A371 PolarHBondContact O-N 3.1Å
368E98.7Very high97.9Very high34 Ų3455.9 Ų55.916%0.15933%0.327CS..Hα-helixtrans-59.8-47.8172.7-179.9179.7-104.300111.6E364 L365 R366 A370 A371 A372 I387 P388 L389 V390E364-E368 PolarHBondContact O-N 3.48Å; L365-E368 PolarHBondContact O-N 3.27Å; R366-E368 VanDerWaalsContact C-N 3.34Å; E368-A370 PolarHBondContact O-N 3.49Å; E368-A371 PolarHBondContact O-N 2.98Å; E368-A372 WeakPolarHBondContact O-CB 3.41Å; E368-A372 PolarHBondContact O-N 3.33Å; E368-I387 HydrophobicContact CG-CG2 4.47Å; E368-I387 VanDerWaalsContact OE2-CA 3.31Å; E368-I387 WeakPolarHBondContact OE2-CA 3.47Å; E368-P388 WeakPolarHBondContact OE1-CD 3.4Å; E368-P388 WeakPolarHBondContact OE1-CG 3.31Å; E368-L389 VanDerWaalsContact CD-CB 3.45Å; E368-L389 VanDerWaalsContact CD-N 3.32Å; E368-L389 WeakPolarHBondContact OE1-CB 3.28Å; E368-L389 PolarHBondContact OE1-N 2.72Å; E368-L389 WeakPolarHBondContact OE2-CA 3.15Å; E368-L389 WeakPolarHBondContact OE2-CB 3.3Å; E368-L389 PolarHBondContact OE2-N 3.32Å; E368-V390 WeakPolarHBondContact OE2-CG2 3.25Å; E368-V390 PolarHBondContact OE2-N 2.79Å
369V98.7Very high98Very high1 Ų157 Ų571%0.00634%0.335CS..Hα-helixtrans-62.6-44.4179.9172.40000111.5L365 R366 A371 A372 R373 M383 I387 V390 I488 L491 E492L365-V369 WeakPolarHBondContact O-CG2 3.35Å; L365-V369 PolarHBondContact O-N 2.96Å; R366-V369 PolarHBondContact O-N 3.03Å; V369-A371 PolarHBondContact O-N 3.41Å; V369-A372 PolarHBondContact O-N 3.13Å; V369-R373 WeakPolarHBondContact O-CB 3.39Å; V369-R373 PolarHBondContact O-N 3.2Å; V369-M383 HydrophobicContact CG1-CE 4.14Å; V369-I387 HydrophobicContact CG2-CG2 4.44Å; V369-V390 HydrophobicContact CG2-CG2 3.83Å; V369-I488 HydrophobicContact CG1-CB 4.32Å; V369-I488 HydrophobicContact CG1-CG1 4.35Å; V369-I488 HydrophobicContact CG1-CG2 3.86Å; V369-I488 HydrophobicContact CG2-CG1 4.26Å; V369-L491 HydrophobicContact CG2-CB 4.44Å; V369-L491 HydrophobicContact CG2-CD1 3.9Å; V369-E492 HydrophobicContact CG1-CG 3.6Å
370A98.5Very high98.1Very high52 Ų5253.9 Ų53.943%0.4331%0.314SS..Hα-helixtrans-60.8-44.8176.800000111.9R366 A367 E368 A372 R373 T374R366-A370 WeakPolarHBondContact O-CB 3.42Å; R366-A370 PolarHBondContact O-N 3.15Å; A367-A370 PolarHBondContact O-N 2.69Å; E368-A370 PolarHBondContact O-N 3.49Å; A370-A372 PolarHBondContact O-N 2.99Å; A370-R373 PolarHBondContact O-N 3.05Å; A370-T374 PolarHBondContact O-N 2.87Å; A370-T374 VanDerWaalsContact O-N 3.09Å; A370-T374 PolarHBondContact O-OG1 3.2Å
371A98.6Very high98Very high61 Ų6149.5 Ų49.550%0.50429%0.29SS..Hα-helixtrans-63.5-40.9176.600000112.1A367 E368 V369 T374 A375A367-A371 WeakPolarHBondContact O-CB 3.14Å; A367-A371 PolarHBondContact O-N 3.1Å; E368-A371 PolarHBondContact O-N 2.98Å; V369-A371 PolarHBondContact O-N 3.41Å; A371-T374 PolarHBondContact O-N 3.24Å; A371-A375 WeakPolarHBondContact O-CB 3.3Å; A371-A375 PolarHBondContact O-N 3.44Å
372A98.6Very high98Very high4 Ų450.2 Ų50.23%0.03329%0.294CS..Hα-helixtrans-62.1-44.3174.900000111.5E368 V369 A370 T374 A375 S376 M383 R386 I387E368-A372 WeakPolarHBondContact O-CB 3.41Å; E368-A372 PolarHBondContact O-N 3.33Å; V369-A372 PolarHBondContact O-N 3.13Å; A370-A372 PolarHBondContact O-N 2.99Å; A372-T374 PolarHBondContact O-N 3.05Å; A372-A375 PolarHBondContact O-N 3.25Å; A372-S376 VanDerWaalsContact O-CB 3.31Å; A372-S376 WeakPolarHBondContact O-CB 3.32Å; A372-S376 PolarHBondContact O-N 2.82Å; A372-S376 PolarHBondContact O-OG 3.31Å; A372-M383 HydrophobicContact CB-CE 4.31Å; A372-M383 HydrophobicContact CB-CG 4.42Å; A372-R386 HydrophobicContact CB-CB 3.87Å; A372-I387 HydrophobicContact CB-CG2 3.83Å
373R98.1Very high98Very high61 Ų6150.1 Ų50.123%0.2329%0.293CS..Hα-helixtrans-58.3-47.1178.3-176.469.270.3-174.72.1111.5V369 A370 Q377 G378 M383 E492V369-R373 WeakPolarHBondContact O-CB 3.39Å; V369-R373 PolarHBondContact O-N 3.2Å; A370-R373 PolarHBondContact O-N 3.05Å; R373-Q377 PolarHBondContact O-N 3.12Å; R373-Q377 VanDerWaalsContact O-N 3.15Å; R373-G378 PolarHBondContact NH1-O 3Å; R373-G378 VanDerWaalsContact NH1-O 3.16Å; R373-G378 PolarHBondContact O-N 2.94Å; R373-G378 VanDerWaalsContact O-N 3.07Å; R373-M383 HydrophobicContact CB-CE 3.73Å; R373-M383 HydrophobicContact CB-SD 4.01Å; R373-M383 WeakPolarHBondContact CD-SD 3.22Å; R373-M383 HydrophobicContact CG-CE 4.48Å; R373-M383 HydrophobicContact CG-SD 4.35Å; R373-M383 PolarHBondContact NE-SD 3.09Å; R373-M383 PolarHBondContact NH1-SD 2.9Å; R373-E492 IonicContact CZ-OE1 2.85Å; R373-E492 VanDerWaalsContact CZ-OE1 3.23Å; R373-E492 IonicContact CZ-OE2 2.96Å; R373-E492 IonicContact NE-OE1 2.81Å; R373-E492 PolarHBondContact NE-OE1 2.84Å; R373-E492 IonicContact NE-OE2 3.12Å; R373-E492 IonicContact NH2-OE1 3.8Å; R373-E492 PolarHBondContact NH2-OE1 3.43Å; R373-E492 IonicContact NH2-OE2 3.46Å; R373-E492 PolarHBondContact NH2-OE2 2.92Å
374T98.1Very high98Very high115 Ų11547.3 Ų47.371%0.70628%0.281SS*.Hα-helixtrans-63.7-47.2176.6-56.50000111.7A370 A371 A372 S376 Q377A370-T374 PolarHBondContact O-N 2.87Å; A370-T374 VanDerWaalsContact O-N 3.09Å; A370-T374 PolarHBondContact O-OG1 3.2Å; A371-T374 PolarHBondContact O-N 3.24Å; A372-T374 PolarHBondContact O-N 3.05Å; T374-S376 VanDerWaalsContact C-N 3.28Å; T374-S376 PolarHBondContact O-N 3.33Å; T374-Q377 PolarHBondContact O-N 3.36Å
375A98.1Very high97.9Very high54 Ų5448.7 Ų48.745%0.44629%0.285SS..Hα-helixtrans-66.3-28.9-177.400000113.5A371 A372A371-A375 WeakPolarHBondContact O-CB 3.3Å; A371-A375 PolarHBondContact O-N 3.44Å; A372-A375 PolarHBondContact O-N 3.25Å
376S97.8Very high97.9Very high9 Ų954.2 Ų54.26%0.06331%0.306CS..THydrogen-bonded Turntrans-96.93179.8-64.80000113.7A372 T374 G378 D379 D382 M383 R386A372-S376 VanDerWaalsContact O-CB 3.31Å; A372-S376 WeakPolarHBondContact O-CB 3.32Å; A372-S376 PolarHBondContact O-N 2.82Å; A372-S376 PolarHBondContact O-OG 3.31Å; T374-S376 VanDerWaalsContact C-N 3.28Å; T374-S376 PolarHBondContact O-N 3.33Å; S376-G378 PolarHBondContact O-N 3.09Å; S376-G378 VanDerWaalsContact O-N 3.13Å; S376-D379 WeakPolarHBondContact O-CB 3.2Å; S376-D379 PolarHBondContact O-N 2.92Å; S376-D382 WeakPolarHBondContact CB-OD2 2.99Å; S376-D382 WeakPolarHBondContact OG-CB 3.34Å; S376-D382 PolarHBondContact OG-OD2 3.34Å; S376-M383 PolarHBondContact OG-N 2.81Å; S376-R386 WeakPolarHBondContact OG-CD 3.25Å; S376-R386 PolarHBondContact OG-NE 3.34Å
377Q97.3Very high97.8Very high189 Ų18953 Ų5388%0.88330%0.301SS*.THydrogen-bonded Turntrans52.233.6-176.8-56.4-179.7-1.200113.2R373 T374R373-Q377 PolarHBondContact O-N 3.12Å; R373-Q377 VanDerWaalsContact O-N 3.15Å; T374-Q377 PolarHBondContact O-N 3.36Å
378G94.6Very high97.8Very high34 Ų3453.1 Ų53.135%0.35130%0.297SS..THydrogen-bonded Turntrans90.1-14.1-177.600000116.2R373 S376 M380R373-G378 PolarHBondContact NH1-O 3Å; R373-G378 VanDerWaalsContact NH1-O 3.16Å; R373-G378 PolarHBondContact O-N 2.94Å; R373-G378 VanDerWaalsContact O-N 3.07Å; S376-G378 PolarHBondContact O-N 3.09Å; S376-G378 VanDerWaalsContact O-N 3.13Å; G378-M380 PolarHBondContact O-N 2.67Å
379D97.8Very high97.8Very high86 Ų8652.4 Ų52.446%0.4629%0.294SS..  trans-65113.8-178.3179.4-111.5000112.1S376 L381 D382 M383S376-D379 WeakPolarHBondContact O-CB 3.2Å; S376-D379 PolarHBondContact O-N 2.92Å; D379-L381 VanDerWaalsContact C-N 3.33Å; D379-L381 PolarHBondContact O-N 3.4Å; D379-L381 PolarHBondContact OD1-N 3.31Å; D379-D382 HydrophobicContact CB-CB 4.26Å; D379-D382 PolarHBondContact O-N 3.42Å; D379-D382 WeakPolarHBondContact OD1-CB 3.45Å; D379-D382 PolarHBondContact OD1-N 3.12Å; D379-M383 VanDerWaalsContact O-CG 3.31Å; D379-M383 WeakPolarHBondContact O-CG 3.24Å; D379-M383 PolarHBondContact O-N 3.02Å
380M97.9Very high97.8Very high12 Ų1252.4 Ų52.46%0.05929%0.294CS..Hα-helixtrans-63.8-38-175.2-175.954.772.100112V181 D185 G378 D382 M383 L384 I485 I488V181-M380 HydrophobicContact CG1-CB 3.78Å; V181-M380 HydrophobicContact CG1-CG 3.58Å; D185-M380 WeakPolarHBondContact OD1-CE 3.41Å; G378-M380 PolarHBondContact O-N 2.67Å; M380-D382 PolarHBondContact O-N 2.85Å; M380-M383 PolarHBondContact O-N 3.46Å; M380-L384 VanDerWaalsContact O-CG 3.31Å; M380-L384 WeakPolarHBondContact O-CG 3.37Å; M380-L384 PolarHBondContact O-N 2.94Å; M380-I485 HydrophobicContact CG-CD1 4.15Å; M380-I485 HydrophobicContact CG-CG1 4.07Å; M380-I485 HydrophobicContact SD-CG1 4.02Å; M380-I488 HydrophobicContact CE-CD1 4.49Å; M380-I488 HydrophobicContact CE-CG2 3.91Å; M380-I488 HydrophobicContact SD-CD1 3.65Å; M380-I488 HydrophobicContact SD-CG2 4.44Å
381L96.7Very high97.8Very high38 Ų3853.3 Ų53.320%0.19929%0.288CS..Hα-helixtrans-66.2-39.5-178.8-177.763.5000111.9L177 E178 V181 D379L177-L381 HydrophobicContact CB-CD1 3.93Å; E178-L381 HydrophobicContact CG-CD2 3.79Å; V181-L381 HydrophobicContact CG2-CD1 3.99Å; D379-L381 VanDerWaalsContact C-N 3.33Å; D379-L381 PolarHBondContact O-N 3.4Å; D379-L381 PolarHBondContact OD1-N 3.31Å
382D97.4Very high97.8Very high33 Ų3350.5 Ų50.518%0.17627%0.265CS..Hα-helixtrans-72.7-38.3174-166.455.7000112S376 D379 M380 L384 K385 R386S376-D382 WeakPolarHBondContact CB-OD2 2.99Å; S376-D382 WeakPolarHBondContact OG-CB 3.34Å; S376-D382 PolarHBondContact OG-OD2 3.34Å; D379-D382 HydrophobicContact CB-CB 4.26Å; D379-D382 PolarHBondContact O-N 3.42Å; D379-D382 WeakPolarHBondContact OD1-CB 3.45Å; D379-D382 PolarHBondContact OD1-N 3.12Å; M380-D382 PolarHBondContact O-N 2.85Å; D382-L384 VanDerWaalsContact C-N 3.29Å; D382-L384 PolarHBondContact O-N 3.23Å; D382-K385 VanDerWaalsContact O-CB 3.31Å; D382-K385 WeakPolarHBondContact O-CB 3.49Å; D382-K385 PolarHBondContact O-N 3.29Å; D382-K385 IonicContact OD1-NZ 2.9Å; D382-R386 IonicContact OD1-NE 2.62Å; D382-R386 IonicContact OD1-NH2 3.97Å; D382-R386 IonicContact OD2-CZ 2.83Å; D382-R386 IonicContact OD2-NE 2.81Å; D382-R386 PolarHBondContact OD2-NE 3.06Å; D382-R386 IonicContact OD2-NH2 2.76Å; D382-R386 PolarHBondContact OD2-NH2 3.23Å
383M98.1Very high97.8Very high0 Ų050.3 Ų50.30%026%0.264CS..Hα-helixtrans-56.5-43.1174.1-78.1-176.269.700112.2V369 A372 R373 S376 D379 M380 K385 R386 I488V369-M383 HydrophobicContact CG1-CE 4.14Å; A372-M383 HydrophobicContact CB-CE 4.31Å; A372-M383 HydrophobicContact CB-CG 4.42Å; R373-M383 HydrophobicContact CB-CE 3.73Å; R373-M383 HydrophobicContact CB-SD 4.01Å; R373-M383 WeakPolarHBondContact CD-SD 3.22Å; R373-M383 HydrophobicContact CG-CE 4.48Å; R373-M383 HydrophobicContact CG-SD 4.35Å; R373-M383 PolarHBondContact NE-SD 3.09Å; R373-M383 PolarHBondContact NH1-SD 2.9Å; S376-M383 PolarHBondContact OG-N 2.81Å; D379-M383 VanDerWaalsContact O-CG 3.31Å; D379-M383 WeakPolarHBondContact O-CG 3.24Å; D379-M383 PolarHBondContact O-N 3.02Å; M380-M383 PolarHBondContact O-N 3.46Å; M383-K385 PolarHBondContact O-N 2.86Å; M383-R386 WeakPolarHBondContact O-CA 3.41Å; M383-R386 PolarHBondContact O-N 3.25Å; M383-I488 HydrophobicContact CE-CD1 4.43Å; M383-I488 HydrophobicContact CE-CG2 3.79Å
384L97.8Very high97.8Very high10 Ų1047.9 Ų47.95%0.05226%0.255CS..THydrogen-bonded Turntrans-56-24.7177.2-71.8173.4000112.4V181 M380 D382 I387 K391 T481 Q484 I485 I488V181-L384 HydrophobicContact CG2-CD1 3.66Å; M380-L384 VanDerWaalsContact O-CG 3.31Å; M380-L384 WeakPolarHBondContact O-CG 3.37Å; M380-L384 PolarHBondContact O-N 2.94Å; D382-L384 VanDerWaalsContact C-N 3.29Å; D382-L384 PolarHBondContact O-N 3.23Å; L384-I387 HydrophobicContact CD2-CD1 4.12Å; L384-K391 WeakPolarHBondContact O-CE 3.34Å; L384-K391 PolarHBondContact O-NZ 3.04Å; L384-T481 HydrophobicContact CD1-CG2 4.02Å; L384-Q484 HydrophobicContact CD2-CB 3.51Å; L384-Q484 HydrophobicContact CD2-CG 4.42Å; L384-I485 HydrophobicContact CD1-CD1 4.45Å; L384-I485 HydrophobicContact CD1-CG1 4.36Å; L384-I485 HydrophobicContact CD2-CG1 4.14Å; L384-I488 HydrophobicContact CD2-CD1 4.06Å
385K97Very high97.8Very high140 Ų14045.5 Ų45.561%0.60924%0.235SC*.THydrogen-bonded Turntrans-78.8-19176.1-56.6170.5-164.91580112.8D382 M383D382-K385 VanDerWaalsContact O-CB 3.31Å; D382-K385 WeakPolarHBondContact O-CB 3.49Å; D382-K385 PolarHBondContact O-N 3.29Å; D382-K385 IonicContact OD1-NZ 2.9Å; M383-K385 PolarHBondContact O-N 2.86Å
386R98.2Very high97.8Very high117 Ų11742.9 Ų42.944%0.44221%0.214SC..SBendtrans-111.914.4-168.6-59179.2-171.3-99.92.7114.8A372 S376 D382 M383 P388A372-R386 HydrophobicContact CB-CB 3.87Å; S376-R386 WeakPolarHBondContact OG-CD 3.25Å; S376-R386 PolarHBondContact OG-NE 3.34Å; D382-R386 IonicContact OD1-NE 2.62Å; D382-R386 IonicContact OD1-NH2 3.97Å; D382-R386 IonicContact OD2-CZ 2.83Å; D382-R386 IonicContact OD2-NE 2.81Å; D382-R386 PolarHBondContact OD2-NE 3.06Å; D382-R386 IonicContact OD2-NH2 2.76Å; D382-R386 PolarHBondContact OD2-NH2 3.23Å; M383-R386 WeakPolarHBondContact O-CA 3.41Å; M383-R386 PolarHBondContact O-N 3.25Å; R386-P388 VanDerWaalsContact O-CD 3.23Å; R386-P388 WeakPolarHBondContact O-CD 3.39Å
387I98.2Very high97.8Very high0 Ų042.5 Ų42.50%021%0.211CC..  trans-116.655.8-179.253.9151.9000113.6E368 V369 A372 L384 L389 V390 K391 Q484 I488E368-I387 HydrophobicContact CG-CG2 4.47Å; E368-I387 VanDerWaalsContact OE2-CA 3.31Å; E368-I387 WeakPolarHBondContact OE2-CA 3.47Å; V369-I387 HydrophobicContact CG2-CG2 4.44Å; A372-I387 HydrophobicContact CB-CG2 3.83Å; L384-I387 HydrophobicContact CD2-CD1 4.12Å; I387-L389 VanDerWaalsContact C-N 3.33Å; I387-L389 PolarHBondContact O-N 3.08Å; I387-V390 HydrophobicContact CB-CB 4.03Å; I387-V390 HydrophobicContact CB-CG2 4.14Å; I387-V390 HydrophobicContact CD1-CB 4.01Å; I387-V390 HydrophobicContact CD1-CG1 3.98Å; I387-V390 HydrophobicContact CG2-CG2 4.5Å; I387-V390 PolarHBondContact O-N 3.18Å; I387-K391 WeakPolarHBondContact O-CG 3.18Å; I387-K391 PolarHBondContact O-N 3.28Å; I387-K391 VanDerWaalsContact O-N 3.1Å; I387-Q484 HydrophobicContact CD1-CB 4.03Å; I387-Q484 HydrophobicContact CD1-CG 4.07Å; I387-I488 HydrophobicContact CD1-CD1 3.97Å; I387-I488 HydrophobicContact CD1-CG1 4.35Å
388P97.9Very high97.9Very high66 Ų6634.4 Ų34.443%0.42917%0.174SC..Hα-helixtrans-63.3-32.1-175.527.8-36.4000114.2E368 R386 G392 L454E368-P388 WeakPolarHBondContact OE1-CD 3.4Å; E368-P388 WeakPolarHBondContact OE1-CG 3.31Å; R386-P388 VanDerWaalsContact O-CD 3.23Å; R386-P388 WeakPolarHBondContact O-CD 3.39Å; P388-G392 PolarHBondContact O-N 3.07Å; P388-L454 HydrophobicContact CB-CD2 3.82Å; P388-L454 HydrophobicContact CG-CD2 4.44Å
389L98.4Very high98.1Very high19 Ų1933.3 Ų33.310%0.09916%0.159CC..Hα-helixtrans-73.7-39.7177.7-169.167000111.4L361 E364 L365 E368 I387 K391 G392 A393 P450 L454L361-L389 HydrophobicContact CD1-CD2 4.5Å; E364-L389 HydrophobicContact CB-CD2 4.16Å; L365-L389 VanDerWaalsContact CD2-C 3.45Å; L365-L389 HydrophobicContact CD2-CB 3.95Å; L365-L389 HydrophobicContact CD2-CD2 3.91Å; L365-L389 HydrophobicContact CD2-CG 3.61Å; L365-L389 HydrophobicContact CG-CD2 4.13Å; L365-L389 HydrophobicContact CG-CG 4.29Å; E368-L389 VanDerWaalsContact CD-CB 3.45Å; E368-L389 VanDerWaalsContact CD-N 3.32Å; E368-L389 WeakPolarHBondContact OE1-CB 3.28Å; E368-L389 PolarHBondContact OE1-N 2.72Å; E368-L389 WeakPolarHBondContact OE2-CA 3.15Å; E368-L389 WeakPolarHBondContact OE2-CB 3.3Å; E368-L389 PolarHBondContact OE2-N 3.32Å; I387-L389 VanDerWaalsContact C-N 3.33Å; I387-L389 PolarHBondContact O-N 3.08Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.12Å; L389-G392 CarbonylContact O-C 3.58Å; L389-G392 WeakPolarHBondContact O-CA 3.42Å; L389-G392 PolarHBondContact O-N 3.47Å; L389-A393 PolarHBondContact O-N 2.98Å; L389-P450 HydrophobicContact CD1-CB 3.85Å; L389-P450 HydrophobicContact CG-CB 4.5Å; L389-L454 HydrophobicContact CD1-CD1 4.16Å
390V98.7Very high98.1Very high1 Ų129.5 Ų29.51%0.00614%0.138CC..Hα-helixtrans-59-45.5171.3174.20000110.6L365 E368 V369 I387 G392 A393 L394 L487 L491L365-V390 HydrophobicContact CD2-CB 4.26Å; L365-V390 HydrophobicContact CD2-CG2 3.75Å; E368-V390 WeakPolarHBondContact OE2-CG2 3.25Å; E368-V390 PolarHBondContact OE2-N 2.79Å; V369-V390 HydrophobicContact CG2-CG2 3.83Å; I387-V390 HydrophobicContact CB-CB 4.03Å; I387-V390 HydrophobicContact CB-CG2 4.14Å; I387-V390 HydrophobicContact CD1-CB 4.01Å; I387-V390 HydrophobicContact CD1-CG1 3.98Å; I387-V390 HydrophobicContact CG2-CG2 4.5Å; I387-V390 PolarHBondContact O-N 3.18Å; V390-G392 VanDerWaalsContact C-N 3.27Å; V390-G392 PolarHBondContact O-N 2.79Å; V390-A393 WeakPolarHBondContact O-CB 3.45Å; V390-A393 PolarHBondContact O-N 2.74Å; V390-A393 VanDerWaalsContact O-N 3.1Å; V390-L394 PolarHBondContact O-N 3.03Å; V390-L394 VanDerWaalsContact O-N 3.11Å; V390-L487 HydrophobicContact CG1-CB 4.05Å; V390-L487 HydrophobicContact CG1-CD1 3.94Å; V390-L491 HydrophobicContact CG2-CD1 4.25Å
391K98.4Very high98.1Very high70 Ų7029.6 Ų29.630%0.30414%0.139SC..Hα-helixtrans-60.9-38.5173.3-72.5171.8169.4174.60111.8L384 I387 L389 A393 K395 Q484L384-K391 WeakPolarHBondContact O-CE 3.34Å; L384-K391 PolarHBondContact O-NZ 3.04Å; I387-K391 WeakPolarHBondContact O-CG 3.18Å; I387-K391 PolarHBondContact O-N 3.28Å; I387-K391 VanDerWaalsContact O-N 3.1Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.12Å; K391-A393 VanDerWaalsContact C-N 3.34Å; K391-K395 WeakPolarHBondContact O-CG 3.38Å; K391-K395 PolarHBondContact O-N 2.9Å; K391-K395 VanDerWaalsContact O-N 3.13Å; K391-Q484 HydrophobicContact CG-CG 4.28Å
392G97.8Very high98.2Very high2 Ų227.9 Ų27.92%0.02113%0.13CC..Hα-helixtrans-62.6-38.1172.700000112.8P388 L389 V390 K395 E396P388-G392 PolarHBondContact O-N 3.07Å; L389-G392 CarbonylContact O-C 3.58Å; L389-G392 WeakPolarHBondContact O-CA 3.42Å; L389-G392 PolarHBondContact O-N 3.47Å; V390-G392 VanDerWaalsContact C-N 3.27Å; V390-G392 PolarHBondContact O-N 2.79Å; G392-K395 PolarHBondContact O-N 3.35Å; G392-E396 WeakPolarHBondContact O-CB 3.34Å; G392-E396 PolarHBondContact O-N 2.79Å
393A98.7Very high98.1Very high1 Ų127.5 Ų27.51%0.00813%0.128CC..Hα-helixtrans-65.4-45.5178.700000110.8L365 L389 V390 K391 K395 E396 T397 Y448 P450L365-A393 HydrophobicContact CD1-CB 4.21Å; L365-A393 HydrophobicContact CD2-CB 4.29Å; L389-A393 PolarHBondContact O-N 2.98Å; V390-A393 WeakPolarHBondContact O-CB 3.45Å; V390-A393 PolarHBondContact O-N 2.74Å; V390-A393 VanDerWaalsContact O-N 3.1Å; K391-A393 VanDerWaalsContact C-N 3.34Å; A393-K395 PolarHBondContact O-N 2.95Å; A393-E396 PolarHBondContact O-N 2.81Å; A393-E396 VanDerWaalsContact O-N 3.16Å; A393-T397 PolarHBondContact O-N 2.85Å; A393-T397 PolarHBondContact O-OG1 3.5Å; A393-Y448 PolarHBondContact O-OH 2.89Å; A393-P450 HydrophobicContact CB-CB 4.16Å; A393-P450 HydrophobicContact CB-CG 3.92Å
394L98.6Very high98.1Very high9 Ų929.2 Ų29.25%0.04714%0.143CC..Hα-helixtrans-61.7-41.3174.9-69.2171.9000112.7T351 V390 E396 T397 L398 M483 Q484 L487T351-L394 HydrophobicContact CG2-CD2 4.5Å; V390-L394 PolarHBondContact O-N 3.03Å; V390-L394 VanDerWaalsContact O-N 3.11Å; L394-E396 VanDerWaalsContact C-N 3.34Å; L394-T397 PolarHBondContact O-N 2.93Å; L394-L398 WeakPolarHBondContact O-CG 3.37Å; L394-L398 PolarHBondContact O-N 2.81Å; L394-M483 HydrophobicContact CD1-CB 3.82Å; L394-M483 HydrophobicContact CD2-CB 3.83Å; L394-M483 HydrophobicContact CD2-SD 4.09Å; L394-Q484 HydrophobicContact CD1-CG 3.72Å; L394-L487 HydrophobicContact CD1-CD1 4.2Å; L394-L487 HydrophobicContact CD2-CD1 3.63Å; L394-L487 HydrophobicContact CG-CD1 3.79Å
395K98.3Very high98Very high65 Ų6529 Ų2928%0.28314%0.142SC..Hα-helixtrans-63.1-40.9173.7-73.6178.2178.9179.70112K391 G392 A393 L398 R399 W453K391-K395 WeakPolarHBondContact O-CG 3.38Å; K391-K395 PolarHBondContact O-N 2.9Å; K391-K395 VanDerWaalsContact O-N 3.13Å; G392-K395 PolarHBondContact O-N 3.35Å; A393-K395 PolarHBondContact O-N 2.95Å; K395-L398 PolarHBondContact O-N 3.34Å; K395-R399 PolarHBondContact O-N 2.89Å; K395-W453 HydrophobicContact CB-CD2 3.79Å; K395-W453 HydrophobicContact CB-CE3 4.41Å; K395-W453 HydrophobicContact CB-CG 3.86Å; K395-W453 HydrophobicContact CB-CZ2 4.35Å; K395-W453 HydrophobicContact CD-CB 4.12Å; K395-W453 HydrophobicContact CD-CD2 4.04Å; K395-W453 HydrophobicContact CD-CE3 4.08Å; K395-W453 HydrophobicContact CD-CG 4.07Å
396E98.4Very high98Very high0 Ų022.7 Ų22.70%012%0.115CC..Hα-helixtrans-68.5-37.4178.3-169.468.8165.500112G392 A393 L394 R399 L400 Y448 L449 P450 R452 W453G392-E396 WeakPolarHBondContact O-CB 3.34Å; G392-E396 PolarHBondContact O-N 2.79Å; A393-E396 PolarHBondContact O-N 2.81Å; A393-E396 VanDerWaalsContact O-N 3.16Å; L394-E396 VanDerWaalsContact C-N 3.34Å; E396-R399 VanDerWaalsContact CD-NE 3.26Å; E396-R399 WeakPolarHBondContact O-CB 3.27Å; E396-R399 PolarHBondContact O-N 2.88Å; E396-R399 IonicContact OE1-CZ 3.87Å; E396-R399 IonicContact OE1-NE 3.42Å; E396-R399 PolarHBondContact OE1-NE 2.63Å; E396-R399 IonicContact OE1-NH2 2.91Å; E396-R399 PolarHBondContact OE1-NH2 3.24Å; E396-R399 IonicContact OE2-CZ 2.7Å; E396-R399 IonicContact OE2-NE 2.72Å; E396-R399 PolarHBondContact OE2-NE 2.79Å; E396-R399 IonicContact OE2-NH2 3.23Å; E396-L400 PolarHBondContact O-N 3.23Å; E396-L400 VanDerWaalsContact O-N 3.17Å; E396-Y448 HydrophobicContact CB-CD2 4.33Å; E396-Y448 HydrophobicContact CB-CE2 3.94Å; E396-Y448 HydrophobicContact CG-CD2 3.64Å; E396-Y448 HydrophobicContact CG-CE2 3.78Å; E396-Y448 HydrophobicContact CG-CG 4.05Å; E396-L449 PolarHBondContact OE1-N 2.91Å; E396-P450 HydrophobicContact CB-CG 4.42Å; E396-R452 IonicContact OE1-CZ 3.9Å; E396-R452 IonicContact OE1-NE 3.95Å; E396-R452 PolarHBondContact OE1-NE 2.97Å; E396-R452 IonicContact OE1-NH2 3.68Å; E396-R452 WeakPolarHBondContact OE2-CD 3.49Å; E396-R452 IonicContact OE2-NE 3.79Å; E396-R452 PolarHBondContact OE2-NE 3.11Å; E396-W453 PolarHBondContact OE2-NE1 3.27Å
397T98.7Very high98Very high0 Ų017.7 Ų17.70%010%0.097CC..Hα-helixtrans-59.4-50.7170.3-58.40000110.2T347 W350 T351 A393 L394 R399 L400 H401 Y448T347-T397 HydrophobicContact CG2-CG2 4.13Å; W350-T397 HydrophobicContact CB-CG2 3.62Å; T351-T397 WeakPolarHBondContact OG1-CB 3.29Å; T351-T397 WeakPolarHBondContact OG1-CG2 3.49Å; T351-T397 PolarHBondContact OG1-OG1 2.88Å; A393-T397 PolarHBondContact O-N 2.85Å; A393-T397 PolarHBondContact O-OG1 3.5Å; L394-T397 PolarHBondContact O-N 2.93Å; T397-R399 PolarHBondContact O-N 2.87Å; T397-L400 PolarHBondContact O-N 2.74Å; T397-H401 HydrophobicContact CG2-CB 4.47Å; T397-H401 CarbonylContact O-C 3.4Å; T397-H401 WeakPolarHBondContact O-CA 3.46Å; T397-H401 WeakPolarHBondContact O-CB 3.47Å; T397-H401 PolarHBondContact O-N 3.09Å; T397-Y448 PolarHBondContact OG1-OH 2.81Å
398L98.6Very high97.9Very high19 Ų1919.7 Ų19.710%0.09911%0.107CC..Hα-helixtrans-67.2-20.9179.6-72.5170.4000113.6T347 L394 K395 P402 V403 F466T347-L398 HydrophobicContact CG2-CD2 3.81Å; T347-L398 HydrophobicContact CG2-CG 4.01Å; L394-L398 WeakPolarHBondContact O-CG 3.37Å; L394-L398 PolarHBondContact O-N 2.81Å; K395-L398 PolarHBondContact O-N 3.34Å; L398-P402 VanDerWaalsContact O-CA 3.3Å; L398-P402 WeakPolarHBondContact O-CA 3.43Å; L398-P402 VanDerWaalsContact O-CB 3.29Å; L398-P402 WeakPolarHBondContact O-CB 3.31Å; L398-V403 HydrophobicContact CD2-CG2 4.33Å; L398-F466 HydrophobicContact CD1-CD2 4.21Å; L398-F466 HydrophobicContact CD1-CE2 3.62Å; L398-F466 HydrophobicContact CD1-CZ 4.14Å
399R98.2Very high97.9Very high12 Ų1216.6 Ų16.65%0.0459%0.086CC..Hα-helixtrans-70.8-47.8172.2-177.6-169.862.877.2-5.3111.4K395 E396 T397 G436 F442 P445 Q447 W453K395-R399 PolarHBondContact O-N 2.89Å; E396-R399 VanDerWaalsContact CD-NE 3.26Å; E396-R399 WeakPolarHBondContact O-CB 3.27Å; E396-R399 PolarHBondContact O-N 2.88Å; E396-R399 IonicContact OE1-CZ 3.87Å; E396-R399 IonicContact OE1-NE 3.42Å; E396-R399 PolarHBondContact OE1-NE 2.63Å; E396-R399 IonicContact OE1-NH2 2.91Å; E396-R399 PolarHBondContact OE1-NH2 3.24Å; E396-R399 IonicContact OE2-CZ 2.7Å; E396-R399 IonicContact OE2-NE 2.72Å; E396-R399 PolarHBondContact OE2-NE 2.79Å; E396-R399 IonicContact OE2-NH2 3.23Å; T397-R399 PolarHBondContact O-N 2.87Å; R399-G436 PolarHBondContact NH1-O 2.95Å; R399-F442 VanDerWaalsContact CD-CD1 3.49Å; R399-F442 HydrophobicContact CG-CD2 4.46Å; R399-F442 HydrophobicContact CG-CE1 4.2Å; R399-F442 HydrophobicContact CG-CE2 4.02Å; R399-F442 HydrophobicContact CG-CZ 3.86Å; R399-P445 VanDerWaalsContact CZ-O 3.25Å; R399-P445 PolarHBondContact NH1-O 3.46Å; R399-P445 PolarHBondContact NH2-O 2.92Å; R399-Q447 PolarHBondContact NH2-O 2.74Å; R399-W453 HydrophobicContact CB-CZ2 4.04Å; R399-W453 HydrophobicContact CG-CZ2 4.38Å
400L98.1Very high97.8Very high5 Ų519.7 Ų19.73%0.02610%0.097CC..Hα-helixtrans-81.5-37.1-177.9-77.4166.9000112.5E396 T397 P402 R437 P445 Y448E396-L400 PolarHBondContact O-N 3.23Å; E396-L400 VanDerWaalsContact O-N 3.17Å; T397-L400 PolarHBondContact O-N 2.74Å; L400-P402 WeakPolarHBondContact O-CD 3.17Å; L400-R437 PolarHBondContact O-NH1 2.84Å; L400-R437 PolarHBondContact O-NH2 3.44Å; L400-P445 WeakPolarHBondContact CD2-O 3.04Å; L400-Y448 HydrophobicContact CD1-CD2 3.84Å
401H97.8Very high97.8Very high15 Ų1519.8 Ų19.87%0.06910%0.098CC..SBendtrans-126.360-172.4-50.4-63.3000110.3W350 E354 T397W350-H401 HydrophobicContact CB-CB 4.04Å; W350-H401 HydrophobicContact CD2-CB 3.97Å; W350-H401 AromaticContact CD2-CD2 3.85Å; W350-H401 AromaticContact CD2-CE1 3.95Å; W350-H401 AromaticContact CD2-CG 3.56Å; W350-H401 AromaticContact CD2-ND1 3.68Å; W350-H401 AromaticContact CE2-CG 4Å; W350-H401 AromaticContact CE2-ND1 3.85Å; W350-H401 AromaticContact CE3-CD2 3.82Å; W350-H401 AromaticContact CE3-CE1 3.49Å; W350-H401 VanDerWaalsContact CE3-CE1 3.49Å; W350-H401 AromaticContact CE3-CG 3.85Å; W350-H401 AromaticContact CE3-ND1 3.7Å; W350-H401 AromaticContact CE3-NE2 3.58Å; W350-H401 HydrophobicContact CG-CB 3.63Å; W350-H401 AromaticContact CG-CD2 3.9Å; W350-H401 AromaticContact CG-CG 3.66Å; W350-H401 AromaticContact CZ3-CE1 3.55Å; W350-H401 AromaticContact CZ3-ND1 3.89Å; E354-H401 IonicContact OE1-CD2 3.22Å; E354-H401 IonicContact OE1-CE1 3.84Å; E354-H401 IonicContact OE1-NE2 3.7Å; E354-H401 PolarHBondContact OE1-NE2 3.02Å; T397-H401 HydrophobicContact CG2-CB 4.47Å; T397-H401 CarbonylContact O-C 3.4Å; T397-H401 WeakPolarHBondContact O-CA 3.46Å; T397-H401 WeakPolarHBondContact O-CB 3.47Å; T397-H401 PolarHBondContact O-N 3.09Å
402P98Very high97.7Very high2 Ų219.6 Ų19.61%0.01311%0.109CC..  trans-67.5136.6-178.127.9-33.8000110.8L398 L400 A404 L432 Y433 L512L398-P402 VanDerWaalsContact O-CA 3.3Å; L398-P402 WeakPolarHBondContact O-CA 3.43Å; L398-P402 VanDerWaalsContact O-CB 3.29Å; L398-P402 WeakPolarHBondContact O-CB 3.31Å; L400-P402 WeakPolarHBondContact O-CD 3.17Å; P402-A404 VanDerWaalsContact C-N 3.32Å; P402-A404 WeakPolarHBondContact CB-O 3.41Å; P402-A404 PolarHBondContact O-N 3.2Å; P402-L432 HydrophobicContact CB-CB 4.24Å; P402-L432 HydrophobicContact CG-CB 4.32Å; P402-Y433 HydrophobicContact CG-CD2 4.34Å; P402-L512 HydrophobicContact CG-CD1 4.18Å; P402-L512 WeakPolarHBondContact O-CB 3.36Å; P402-L512 WeakPolarHBondContact O-CD1 3.49Å
403V97.2Very high97.7Very high24 Ų2424.3 Ų24.315%0.14513%0.131CC..SBendtrans-59.5-44.8175.2175.60000111.2T343 T347 L398 I511 L512T343-V403 HydrophobicContact CG2-CG1 3.84Å; T347-V403 WeakPolarHBondContact OG1-CG2 3.29Å; L398-V403 HydrophobicContact CD2-CG2 4.33Å; V403-I511 HydrophobicContact CG1-CB 4.03Å; V403-I511 HydrophobicContact CG1-CG2 3.8Å; V403-I511 WeakPolarHBondContact O-CA 3.47Å; V403-L512 PolarHBondContact O-N 2.77Å
404A96.3Very high97.6Very high36 Ų3628.5 Ų28.530%0.29815%0.153SC..SBendtrans-96.4130.9175.600000111P402 S406P402-A404 VanDerWaalsContact C-N 3.32Å; P402-A404 WeakPolarHBondContact CB-O 3.41Å; P402-A404 PolarHBondContact O-N 3.2Å; A404-S406 VanDerWaalsContact C-N 3.29Å; A404-S406 PolarHBondContact O-N 3.5Å
405V96.7Very high97.6Very high6 Ų628.6 Ų28.64%0.03615%0.154CC..SBendtrans-62.5-38.6177.5178.60000111.9L87 H88 M91 L432 Y433 F508 L512L87-V405 HydrophobicContact CG-CG1 4.41Å; H88-V405 HydrophobicContact CB-CG1 3.88Å; H88-V405 HydrophobicContact CB-CG2 4.08Å; M91-V405 HydrophobicContact SD-CG1 4.12Å; V405-L432 PolarHBondContact O-N 2.86Å; V405-Y433 PolarHBondContact O-N 3Å; V405-F508 HydrophobicContact CG2-CD2 3.4Å; V405-F508 VanDerWaalsContact CG2-CD2 3.4Å; V405-F508 HydrophobicContact CG2-CE2 3.6Å; V405-F508 HydrophobicContact CG2-CG 4.38Å; V405-L512 HydrophobicContact CG2-CD1 4.06Å; V405-L512 HydrophobicContact CG2-CD2 3.68Å; V405-L512 HydrophobicContact CG2-CG 3.7Å
406S97.3Very high97.6Very high7 Ų727.1 Ų27.15%0.04915%0.148CC..EExtended strand (participates in β ladder)trans-144.1164.2-179660000111.8A404 Q408 Q429 L430A404-S406 VanDerWaalsContact C-N 3.29Å; A404-S406 PolarHBondContact O-N 3.5Å; S406-Q408 PolarHBondContact O-NE2 3.03Å; S406-Q408 PolarHBondContact OG-NE2 3.36Å; S406-Q429 PolarHBondContact OG-OE1 3.18Å; S406-L430 CarbonylContact C-O 3.59Å; S406-L430 WeakPolarHBondContact CA-O 3.35Å; S406-L430 VanDerWaalsContact CB-O 3.22Å; S406-L430 WeakPolarHBondContact CB-O 3.43Å
407L97.6Very high97.5Very high12 Ų1227.1 Ų27.16%0.06315%0.148CC..EExtended strand (participates in β ladder)trans-108.1133.3165.4-61176.1000109.3F124 Q429 L430 L432 L464F124-L407 HydrophobicContact CZ-CB 4.44Å; F124-L407 HydrophobicContact CZ-CD1 3.82Å; L407-Q429 CarbonylContact O-C 3.47Å; L407-Q429 VanDerWaalsContact O-CA 3.29Å; L407-Q429 WeakPolarHBondContact O-CA 3.29Å; L407-L430 HydrophobicContact CB-CB 4.44Å; L407-L430 HydrophobicContact CD1-CD2 4.5Å; L407-L430 PolarHBondContact N-O 2.96Å; L407-L430 PolarHBondContact O-N 3.36Å; L407-L432 HydrophobicContact CD1-CD1 4.34Å; L407-L432 HydrophobicContact CD1-CD2 4Å; L407-L432 HydrophobicContact CD1-CG 4.49Å; L407-L432 HydrophobicContact CD2-CD1 4.02Å; L407-L432 HydrophobicContact CG-CD1 3.79Å; L407-L432 HydrophobicContact CG-CD2 4.05Å; L407-L432 HydrophobicContact CG-CG 4Å; L407-L464 HydrophobicContact CD1-CB 3.94Å; L407-L464 HydrophobicContact CD1-CD1 4.48Å
408Q96.1Very high97.4Very high43 Ų4328.8 Ų28.820%0.20116%0.156CC..EExtended strand (participates in β ladder)trans-118.8145.5-174.9-39.17815.700112S406 L427 V428 Q429S406-Q408 PolarHBondContact O-NE2 3.03Å; S406-Q408 PolarHBondContact OG-NE2 3.36Å; Q408-L427 HydrophobicContact CB-CD1 3.83Å; Q408-V428 CarbonylContact C-O 3.48Å; Q408-V428 VanDerWaalsContact CA-O 3.31Å; Q408-V428 WeakPolarHBondContact CA-O 3.07Å; Q408-Q429 HydrophobicContact CB-CG 4.3Å; Q408-Q429 HydrophobicContact CG-CB 4.41Å; Q408-Q429 HydrophobicContact CG-CG 3.79Å
409R97.8Very high97.3Very high0 Ų030.2 Ų30.20%016%0.164CC..EExtended strand (participates in β ladder)trans-138.6140.9164.5-65.7-64.1-174.4-78-11.5111.2L123 F124 E127 K132 V428 F468L123-R409 HydrophobicContact CD1-CB 3.85Å; L123-R409 HydrophobicContact CD1-CG 4.36Å; L123-R409 HydrophobicContact CG-CB 4.47Å; L123-R409 HydrophobicContact CG-CG 4.47Å; F124-R409 HydrophobicContact CE1-CG 4.49Å; E127-R409 HydrophobicContact CB-CG 4.06Å; E127-R409 IonicContact OE2-CZ 3.27Å; E127-R409 IonicContact OE2-NE 2.82Å; E127-R409 PolarHBondContact OE2-NE 3.24Å; E127-R409 IonicContact OE2-NH2 3.23Å; E127-R409 PolarHBondContact OE2-NH2 3.44Å; E127-R409 VanDerWaalsContact OE2-NH2 3.09Å; K132-R409 CarbonylContact O-C 3.6Å; K132-R409 VanDerWaalsContact O-CA 3.28Å; K132-R409 WeakPolarHBondContact O-CA 3.43Å; R409-V428 PolarHBondContact N-O 2.56Å; R409-V428 PolarHBondContact O-N 3.5Å; R409-F468 PolarHBondContact NH2-O 2.81Å
410Y97.6Very high97.3Very high84 Ų8430.5 Ų30.533%0.32917%0.165SC..EExtended strand (participates in β ladder)trans-80.1119.6154.1-69.4-81.5000107.6K132 R133 G425 T426 L427K132-Y410 HydrophobicContact CB-CD2 4.12Å; K132-Y410 PolarHBondContact O-N 3.22Å; R133-Y410 WeakPolarHBondContact O-CE2 3.37Å; Y410-G425 WeakPolarHBondContact CD1-O 3.32Å; Y410-T426 WeakPolarHBondContact CA-O 3.43Å; Y410-L427 HydrophobicContact CD1-CB 3.97Å; Y410-L427 HydrophobicContact CD1-CD1 4.25Å; Y410-L427 HydrophobicContact CD2-CD1 4.05Å; Y410-L427 HydrophobicContact CE1-CB 3.66Å; Y410-L427 HydrophobicContact CE1-CD1 4.14Å; Y410-L427 HydrophobicContact CE1-CD2 4.47Å; Y410-L427 HydrophobicContact CE1-CG 4.31Å; Y410-L427 HydrophobicContact CE2-CD1 3.91Å; Y410-L427 HydrophobicContact CG-CD1 4.22Å
411I97.6Very high97.3Very high3 Ų332.8 Ų32.82%0.01518%0.175CC..  trans-74.7140.1-178.660.1173.6000110.4L123 E413 I415 I422 P423 G425 T426 V428L123-I411 HydrophobicContact CD1-CG2 3.68Å; I411-E413 WeakPolarHBondContact CD1-O 3.47Å; I411-I415 HydrophobicContact CD1-CD1 3.78Å; I411-I415 HydrophobicContact CD1-CG1 3.71Å; I411-I415 HydrophobicContact CG2-CD1 4Å; I411-I422 HydrophobicContact CD1-CB 4.24Å; I411-I422 HydrophobicContact CD1-CG2 3.68Å; I411-P423 WeakPolarHBondContact CD1-O 3.43Å; I411-G425 PolarHBondContact O-N 3.34Å; I411-T426 PolarHBondContact N-O 3.21Å; I411-T426 VanDerWaalsContact N-O 3.13Å; I411-V428 HydrophobicContact CD1-CG2 4.4Å; I411-V428 HydrophobicContact CG2-CB 4.41Å; I411-V428 HydrophobicContact CG2-CG2 3.84Å
412A96.8Very high97.3Very high66 Ų6632 Ų3255%0.54517%0.172SC..SBendtrans-89.2-16.8-175.300000113.2A126A126-A412 PolarHBondContact O-N 3.11Å
413E96.4Very high97.3Very high101 Ų10133.9 Ų33.947%0.47218%0.184SC..SBendtrans-139161.4-179.560.8-175.6-173.400109.9A126 I411 I415A126-E413 HydrophobicContact CB-CG 3.98Å; I411-E413 WeakPolarHBondContact CD1-O 3.47Å; E413-I415 HydrophobicContact CG-CG2 4.45Å
414D97.9Very high97.4Very high89 Ų8935 Ų3548%0.47620%0.195SC..  trans-64.4137.2173-73.715.9000110.2H421 I422 P423 A424D414-H421 IonicContact OD2-CD2 3.61Å; D414-H421 IonicContact OD2-CE1 2.63Å; D414-H421 PolarHBondContact OD2-CE1 3.09Å; D414-H421 IonicContact OD2-NE2 3.68Å; D414-H421 PolarHBondContact OD2-NE2 2.86Å; D414-I422 WeakPolarHBondContact CA-O 3.42Å; D414-P423 WeakPolarHBondContact OD1-CA 3.29Å; D414-A424 WeakPolarHBondContact OD1-CB 3.1Å; D414-A424 PolarHBondContact OD1-N 2.88Å
415I97.8Very high97.4Very high12 Ų1235.6 Ų35.66%0.06221%0.206CC..EExtended strand (participates in β ladder)trans-131.6162.2178.965.1-177.6000111.9I122 A126 I411 E413 I417 I422I122-I415 HydrophobicContact CG2-CB 4.25Å; I122-I415 HydrophobicContact CG2-CD1 4.4Å; I122-I415 HydrophobicContact CG2-CG2 4.49Å; A126-I415 HydrophobicContact CB-CG2 3.31Å; I411-I415 HydrophobicContact CD1-CD1 3.78Å; I411-I415 HydrophobicContact CD1-CG1 3.71Å; I411-I415 HydrophobicContact CG2-CD1 4Å; E413-I415 HydrophobicContact CG-CG2 4.45Å; I415-I417 HydrophobicContact CD1-CD1 3.58Å; I415-I417 HydrophobicContact CD1-CG1 4.02Å; I415-I417 HydrophobicContact CG1-CD1 4.41Å; I415-I417 HydrophobicContact CG1-CG1 4.35Å; I415-I422 HydrophobicContact CD1-CD1 4.4Å; I415-I422 HydrophobicContact CG1-CB 3.88Å; I415-I422 HydrophobicContact CG1-CD1 4.26Å; I415-I422 HydrophobicContact CG1-CG1 4.48Å; I415-I422 PolarHBondContact N-O 3.22Å; I415-I422 PolarHBondContact O-N 2.85Å
416I98.1Very high97.4Very high33 Ų3336.2 Ų36.217%0.16921%0.21CC..EExtended strand (participates in β ladder)trans-114.7122.1169.6-61.6171.6000108.7I47 V58 Y420I47-I416 HydrophobicContact CG2-CD1 3.5Å; I47-I416 HydrophobicContact CG2-CG1 4.32Å; V58-I416 HydrophobicContact CG1-CD1 4.03Å; V58-I416 HydrophobicContact CG1-CG1 4.21Å; V58-I416 HydrophobicContact CG2-CD1 3.89Å; I416-Y420 VanDerWaalsContact CA-O 3.29Å; I416-Y420 WeakPolarHBondContact CA-O 3.38Å
417I97Very high97.5Very high0 Ų036.1 Ų36.10%021%0.208CC..EExtended strand (participates in β ladder)trans-130.3131.5173.6-66.8-178.3000108.4I101 I114 D119 I122 I415 N419 Y420 I422I101-I417 HydrophobicContact CD1-CB 4.42Å; I101-I417 HydrophobicContact CD1-CG2 4.08Å; I114-I417 HydrophobicContact CD1-CD1 4.33Å; I114-I417 HydrophobicContact CG2-CD1 4.45Å; I114-I417 HydrophobicContact CG2-CG2 4.01Å; D119-I417 HydrophobicContact CB-CG2 3.85Å; D119-I417 VanDerWaalsContact CG-CG2 3.5Å; I122-I417 HydrophobicContact CB-CD1 4.41Å; I122-I417 HydrophobicContact CB-CG1 4.26Å; I122-I417 HydrophobicContact CD1-CG1 4.34Å; I122-I417 HydrophobicContact CG2-CD1 4.21Å; I122-I417 HydrophobicContact CG2-CG1 3.86Å; I415-I417 HydrophobicContact CD1-CD1 3.58Å; I415-I417 HydrophobicContact CD1-CG1 4.02Å; I415-I417 HydrophobicContact CG1-CD1 4.41Å; I415-I417 HydrophobicContact CG1-CG1 4.35Å; I417-N419 PolarHBondContact O-N 3.23Å; I417-N419 VanDerWaalsContact O-N 3.16Å; I417-Y420 PolarHBondContact N-O 2.8Å; I417-Y420 VanDerWaalsContact N-O 3.1Å; I417-Y420 PolarHBondContact O-N 3.24Å; I417-I422 HydrophobicContact CB-CD1 3.93Å; I417-I422 HydrophobicContact CD1-CD1 4.21Å; I417-I422 HydrophobicContact CG1-CD1 4.25Å
418Q96.3Very high97.5Very high35 Ų3535.5 Ų35.516%0.16421%0.205CC..THydrogen-bonded Turntrans49.240.2-178.6-56.1-60.4-16.800113.5R59 P100 I101 K116 D119 Y420R59-Q418 PolarHBondContact NH2-O 3.39Å; R59-Q418 VanDerWaalsContact NH2-O 3.14Å; P100-Q418 HydrophobicContact CG-CG 4.37Å; I101-Q418 HydrophobicContact CB-CB 4.34Å; I101-Q418 HydrophobicContact CB-CG 4.09Å; I101-Q418 HydrophobicContact CG2-CB 3.73Å; I101-Q418 HydrophobicContact CG2-CG 3.94Å; K116-Q418 VanDerWaalsContact CD-NE2 3.27Å; K116-Q418 VanDerWaalsContact CE-NE2 3.29Å; K116-Q418 VanDerWaalsContact NZ-OE1 3.12Å; D119-Q418 PolarHBondContact OD1-NE2 3.09Å; D119-Q418 PolarHBondContact OD2-NE2 2.92Å; Q418-Y420 VanDerWaalsContact C-N 3.26Å; Q418-Y420 HydrophobicContact CB-CD2 4.4Å; Q418-Y420 VanDerWaalsContact O-CD2 3.27Å; Q418-Y420 WeakPolarHBondContact O-CD2 3.17Å; Q418-Y420 PolarHBondContact O-N 2.9Å
419N96.3Very high97.6Very high49 Ų4934.2 Ų34.226%0.26220%0.199SC..THydrogen-bonded Turntrans62.423.1-177-55.6-23.9000115.2S56 R59 I417S56-N419 VanDerWaalsContact CB-ND2 3.28Å; S56-N419 WeakPolarHBondContact CB-ND2 3.44Å; S56-N419 PolarHBondContact OG-ND2 2.86Å; S56-N419 PolarHBondContact OG-OD1 3.36Å; R59-N419 PolarHBondContact N-O 2.77Å; I417-N419 PolarHBondContact O-N 3.23Å; I417-N419 VanDerWaalsContact O-N 3.16Å
420Y98.3Very high97.6Very high18 Ų1834.2 Ų34.27%0.07120%0.199CC..EExtended strand (participates in β ladder)trans-110.9135170.1-65.9-79.2000110.8R59 E63 I64 P65 I101 I416 I417 Q418R59-Y420 HydrophobicContact CB-CD1 3.5Å; R59-Y420 VanDerWaalsContact CB-CD1 3.5Å; R59-Y420 HydrophobicContact CB-CE1 3.65Å; R59-Y420 HydrophobicContact CB-CG 4.44Å; R59-Y420 HydrophobicContact CG-CE1 4.35Å; R59-Y420 VanDerWaalsContact NE-CE1 3.33Å; R59-Y420 PolarHBondContact NH1-OH 3Å; R59-Y420 VanDerWaalsContact NH2-CZ 3.26Å; R59-Y420 PolarHBondContact NH2-OH 3.39Å; R59-Y420 WeakPolarHBondContact O-CA 3.39Å; E63-Y420 VanDerWaalsContact C-CE1 3.45Å; E63-Y420 HydrophobicContact CB-CD1 4.39Å; E63-Y420 HydrophobicContact CB-CE1 3.83Å; E63-Y420 WeakPolarHBondContact O-CE1 3.49Å; E63-Y420 PolarHBondContact O-OH 2.61Å; I64-Y420 HydrophobicContact CD1-CG 4.41Å; I64-Y420 HydrophobicContact CG1-CD1 3.63Å; I64-Y420 HydrophobicContact CG1-CD2 4.19Å; I64-Y420 HydrophobicContact CG1-CE1 4.22Å; I64-Y420 HydrophobicContact CG1-CG 3.61Å; P65-Y420 WeakPolarHBondContact CD-OH 3.15Å; I101-Y420 HydrophobicContact CD1-CD2 4.2Å; I101-Y420 HydrophobicContact CG2-CD2 4Å; I101-Y420 HydrophobicContact CG2-CE2 3.85Å; I416-Y420 VanDerWaalsContact CA-O 3.29Å; I416-Y420 WeakPolarHBondContact CA-O 3.38Å; I417-Y420 PolarHBondContact N-O 2.8Å; I417-Y420 VanDerWaalsContact N-O 3.1Å; I417-Y420 PolarHBondContact O-N 3.24Å; Q418-Y420 VanDerWaalsContact C-N 3.26Å; Q418-Y420 HydrophobicContact CB-CD2 4.4Å; Q418-Y420 VanDerWaalsContact O-CD2 3.27Å; Q418-Y420 WeakPolarHBondContact O-CD2 3.17Å; Q418-Y420 PolarHBondContact O-N 2.9Å
421H98.3Very high97.7Very high53 Ų5330.2 Ų30.225%0.24518%0.184CC..EExtended strand (participates in β ladder)trans-71.7129.9166173.1-94.1000110.1V58 R59 F61 D414V58-H421 HydrophobicContact CG1-CB 4.04Å; R59-H421 PolarHBondContact O-N 3.29Å; F61-H421 WeakPolarHBondContact CA-O 3.1Å; F61-H421 WeakPolarHBondContact CB-O 3.27Å; D414-H421 IonicContact OD2-CD2 3.61Å; D414-H421 IonicContact OD2-CE1 2.63Å; D414-H421 PolarHBondContact OD2-CE1 3.09Å; D414-H421 IonicContact OD2-NE2 3.68Å; D414-H421 PolarHBondContact OD2-NE2 2.86Å
422I98.6Very high97.7Very high0 Ų030.5 Ų30.50%019%0.185CC..EExtended strand (participates in β ladder)trans-123.3117.1177.2-53.8173.7000107.7F61 I64 I101 V112 I411 D414 I415 I417 T426 V428F61-I422 HydrophobicContact CD2-CG2 4.5Å; F61-I422 HydrophobicContact CE2-CG2 4.25Å; I64-I422 HydrophobicContact CD1-CG1 4.19Å; I101-I422 HydrophobicContact CD1-CD1 4.27Å; V112-I422 HydrophobicContact CG1-CD1 4.01Å; V112-I422 HydrophobicContact CG2-CG2 4.35Å; I411-I422 HydrophobicContact CD1-CB 4.24Å; I411-I422 HydrophobicContact CD1-CG2 3.68Å; D414-I422 WeakPolarHBondContact CA-O 3.42Å; I415-I422 HydrophobicContact CD1-CD1 4.4Å; I415-I422 HydrophobicContact CG1-CB 3.88Å; I415-I422 HydrophobicContact CG1-CD1 4.26Å; I415-I422 HydrophobicContact CG1-CG1 4.48Å; I415-I422 PolarHBondContact N-O 3.22Å; I415-I422 PolarHBondContact O-N 2.85Å; I417-I422 HydrophobicContact CB-CD1 3.93Å; I417-I422 HydrophobicContact CD1-CD1 4.21Å; I417-I422 HydrophobicContact CG1-CD1 4.25Å; I422-T426 HydrophobicContact CG2-CG2 3.72Å; I422-V428 HydrophobicContact CG2-CG2 4.3Å
423P98.3Very high97.8Very high40 Ų4027.8 Ų27.826%0.2616%0.161SC..  trans-74.6149.8-174.728.3-32.7000112.6F61 I411 D414 T426F61-P423 HydrophobicContact CD1-CG 4.26Å; F61-P423 HydrophobicContact CD2-CG 4.45Å; F61-P423 HydrophobicContact CE1-CG 4.46Å; F61-P423 HydrophobicContact CG-CG 4.26Å; I411-P423 WeakPolarHBondContact CD1-O 3.43Å; D414-P423 WeakPolarHBondContact OD1-CA 3.29Å; P423-T426 WeakPolarHBondContact O-CB 3.24Å; P423-T426 PolarHBondContact O-N 2.99Å; P423-T426 PolarHBondContact O-OG1 3.44Å
424A98Very high97.9Very high47 Ų4723 Ų2339%0.38814%0.139SC..THydrogen-bonded Turntrans-49.7145.5172.600000111.9D414 T426D414-A424 WeakPolarHBondContact OD1-CB 3.1Å; D414-A424 PolarHBondContact OD1-N 2.88Å; A424-T426 PolarHBondContact O-N 2.97Å
425G96.6Very high97.9Very high50 Ų5019 Ų1952%0.51512%0.117SC..THydrogen-bonded Turntrans79.6-2.7-17500000114.5Y410 I411Y410-G425 WeakPolarHBondContact CD1-O 3.32Å; I411-G425 PolarHBondContact O-N 3.34Å
426T98Very high97.8Very high19 Ų1918.5 Ų18.512%0.11712%0.115CC..  trans-69.8136.7171.8-59.70000111F61 V112 Y410 I411 I422 P423 A424 V428F61-T426 HydrophobicContact CE2-CG2 4.12Å; F61-T426 HydrophobicContact CZ-CG2 4.13Å; V112-T426 HydrophobicContact CB-CG2 4.48Å; V112-T426 HydrophobicContact CG2-CG2 3.85Å; Y410-T426 WeakPolarHBondContact CA-O 3.43Å; I411-T426 PolarHBondContact N-O 3.21Å; I411-T426 VanDerWaalsContact N-O 3.13Å; I422-T426 HydrophobicContact CG2-CG2 3.72Å; P423-T426 WeakPolarHBondContact O-CB 3.24Å; P423-T426 PolarHBondContact O-N 2.99Å; P423-T426 PolarHBondContact O-OG1 3.44Å; A424-T426 PolarHBondContact O-N 2.97Å; T426-V428 HydrophobicContact CG2-CG2 4.31Å; T426-V428 PolarHBondContact O-N 3.1Å
427L97.7Very high97.8Very high4 Ų418.1 Ų18.12%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-78.5117.6169.1-175.258.2000109.9Y109 S111 V112 L134 Q408 Y410Y109-L427 HydrophobicContact CD2-CD2 4.26Å; Y109-L427 HydrophobicContact CE2-CD2 3.23Å; Y109-L427 VanDerWaalsContact CZ-CD2 3.41Å; Y109-L427 WeakPolarHBondContact OH-CD2 3.37Å; S111-L427 CarbonylContact C-O 3.57Å; S111-L427 WeakPolarHBondContact CA-O 3.14Å; S111-L427 WeakPolarHBondContact CB-O 3.25Å; V112-L427 PolarHBondContact N-O 3.4Å; L134-L427 HydrophobicContact CB-CD2 4.49Å; L134-L427 HydrophobicContact CD1-CD2 4.22Å; Q408-L427 HydrophobicContact CB-CD1 3.83Å; Y410-L427 HydrophobicContact CD1-CB 3.97Å; Y410-L427 HydrophobicContact CD1-CD1 4.25Å; Y410-L427 HydrophobicContact CD2-CD1 4.05Å; Y410-L427 HydrophobicContact CE1-CB 3.66Å; Y410-L427 HydrophobicContact CE1-CD1 4.14Å; Y410-L427 HydrophobicContact CE1-CD2 4.47Å; Y410-L427 HydrophobicContact CE1-CG 4.31Å; Y410-L427 HydrophobicContact CE2-CD1 3.91Å; Y410-L427 HydrophobicContact CG-CD1 4.22Å
428V98.4Very high97.8Very high0 Ų019.4 Ų19.40%012%0.118CC..EExtended strand (participates in β ladder)trans-112.5132.3176.7-1750000109.4V112 I114 L123 Q408 R409 I411 I422 T426V112-V428 HydrophobicContact CB-CG2 4.36Å; V112-V428 CarbonylContact O-C 3.58Å; V112-V428 VanDerWaalsContact O-CA 3.25Å; V112-V428 WeakPolarHBondContact O-CA 3.45Å; I114-V428 HydrophobicContact CD1-CG1 4.06Å; I114-V428 HydrophobicContact CG1-CG1 4.15Å; I114-V428 HydrophobicContact CG2-CG1 4.31Å; L123-V428 HydrophobicContact CD1-CB 3.61Å; L123-V428 HydrophobicContact CD1-CG1 3.81Å; L123-V428 HydrophobicContact CD1-CG2 4.33Å; L123-V428 HydrophobicContact CD2-CG1 4.14Å; L123-V428 HydrophobicContact CG-CG1 4.48Å; Q408-V428 CarbonylContact C-O 3.48Å; Q408-V428 VanDerWaalsContact CA-O 3.31Å; Q408-V428 WeakPolarHBondContact CA-O 3.07Å; R409-V428 PolarHBondContact N-O 2.56Å; R409-V428 PolarHBondContact O-N 3.5Å; I411-V428 HydrophobicContact CD1-CG2 4.4Å; I411-V428 HydrophobicContact CG2-CB 4.41Å; I411-V428 HydrophobicContact CG2-CG2 3.84Å; I422-V428 HydrophobicContact CG2-CG2 4.3Å; T426-V428 HydrophobicContact CG2-CG2 4.31Å; T426-V428 PolarHBondContact O-N 3.1Å
429Q98.3Very high97.8Very high16 Ų1622.3 Ų22.38%0.07514%0.14CC..EExtended strand (participates in β ladder)trans-117.8129.1-179.7-53.1-166.755.500111.6M91 Y109 S111 V112 N113 I114 S406 L407 Q408M91-Q429 HydrophobicContact CE-CB 4.35Å; Y109-Q429 VanDerWaalsContact OH-CD 3.26Å; Y109-Q429 PolarHBondContact OH-NE2 2.91Å; S111-Q429 PolarHBondContact OG-NE2 2.99Å; V112-Q429 PolarHBondContact O-N 2.84Å; N113-Q429 CarbonylContact C-O 3.57Å; N113-Q429 WeakPolarHBondContact CA-O 3.42Å; N113-Q429 WeakPolarHBondContact OD1-CB 3.05Å; N113-Q429 PolarHBondContact OD1-NE2 3.43Å; I114-Q429 WeakPolarHBondContact CG1-O 3.23Å; I114-Q429 PolarHBondContact N-O 3.5Å; S406-Q429 PolarHBondContact OG-OE1 3.18Å; L407-Q429 CarbonylContact O-C 3.47Å; L407-Q429 VanDerWaalsContact O-CA 3.29Å; L407-Q429 WeakPolarHBondContact O-CA 3.29Å; Q408-Q429 HydrophobicContact CB-CG 4.3Å; Q408-Q429 HydrophobicContact CG-CB 4.41Å; Q408-Q429 HydrophobicContact CG-CG 3.79Å
430L98.3Very high97.6Very high0 Ų029 Ų290%017%0.166CC..EExtended strand (participates in β ladder)trans-92.8115167.9-179.469.9000109.9I114 A120 L123 F124 S406 L407 L432 M435 L464I114-L430 HydrophobicContact CD1-CD1 4.19Å; I114-L430 HydrophobicContact CG1-CB 4.26Å; I114-L430 HydrophobicContact CG1-CD1 3.95Å; I114-L430 WeakPolarHBondContact O-CA 3.46Å; A120-L430 HydrophobicContact CB-CD1 4Å; A120-L430 HydrophobicContact CB-CD2 3.56Å; A120-L430 HydrophobicContact CB-CG 4.38Å; L123-L430 HydrophobicContact CD2-CB 4.44Å; F124-L430 HydrophobicContact CE2-CD2 4.42Å; S406-L430 CarbonylContact C-O 3.59Å; S406-L430 WeakPolarHBondContact CA-O 3.35Å; S406-L430 VanDerWaalsContact CB-O 3.22Å; S406-L430 WeakPolarHBondContact CB-O 3.43Å; L407-L430 HydrophobicContact CB-CB 4.44Å; L407-L430 HydrophobicContact CD1-CD2 4.5Å; L407-L430 PolarHBondContact N-O 2.96Å; L407-L430 PolarHBondContact O-N 3.36Å; L430-L432 HydrophobicContact CD2-CD2 4.27Å; L430-L432 PolarHBondContact O-N 3.24Å; L430-L432 VanDerWaalsContact O-N 3.11Å; L430-M435 HydrophobicContact CD1-SD 4.47Å; L430-L464 HydrophobicContact CD2-CD1 3.31Å
431G98.2Very high97.4Very high0 Ų028.6 Ų28.60%017%0.166CC..EExtended strand (participates in β ladder)trans-76.293.3-177.100000113.3M91 I114 A434 M435M91-G431 VanDerWaalsContact SD-CA 3.57Å; I114-G431 PolarHBondContact O-N 3.03Å; G431-A434 PolarHBondContact O-N 3.49Å; G431-M435 WeakPolarHBondContact O-CB 3.46Å; G431-M435 PolarHBondContact O-N 2.97Å
432L98.3Very high97.2Very high8 Ų826.3 Ų26.34%0.04216%0.156CC..Hα-helixtrans-64-47.6-177-65.5-174.3000112.6P402 V405 L407 L430 A434 M435 G436 L464P402-L432 HydrophobicContact CB-CB 4.24Å; P402-L432 HydrophobicContact CG-CB 4.32Å; V405-L432 PolarHBondContact O-N 2.86Å; L407-L432 HydrophobicContact CD1-CD1 4.34Å; L407-L432 HydrophobicContact CD1-CD2 4Å; L407-L432 HydrophobicContact CD1-CG 4.49Å; L407-L432 HydrophobicContact CD2-CD1 4.02Å; L407-L432 HydrophobicContact CG-CD1 3.79Å; L407-L432 HydrophobicContact CG-CD2 4.05Å; L407-L432 HydrophobicContact CG-CG 4Å; L430-L432 HydrophobicContact CD2-CD2 4.27Å; L430-L432 PolarHBondContact O-N 3.24Å; L430-L432 VanDerWaalsContact O-N 3.11Å; L432-A434 VanDerWaalsContact C-N 3.31Å; L432-A434 PolarHBondContact O-N 3.24Å; L432-M435 HydrophobicContact CD2-CE 4.04Å; L432-M435 PolarHBondContact O-N 3.3Å; L432-G436 PolarHBondContact O-N 2.82Å; L432-L464 HydrophobicContact CD2-CB 3.7Å; L432-L464 HydrophobicContact CD2-CD1 4.5Å
433Y98.4Very high97Very high9 Ų933.1 Ų33.14%0.03519%0.185CC..Hα-helixtrans-61.1-41.9-179.3-179.5-87000112H88 L92 P402 V405 R437 L512H88-Y433 HydrophobicContact CB-CD1 3.83Å; H88-Y433 HydrophobicContact CB-CD2 4.1Å; H88-Y433 HydrophobicContact CB-CE1 4.27Å; H88-Y433 HydrophobicContact CB-CE2 4.48Å; H88-Y433 HydrophobicContact CB-CG 3.75Å; H88-Y433 AromaticContact CD2-CE1 3.7Å; H88-Y433 AromaticContact CD2-CE2 3.72Å; H88-Y433 AromaticContact CD2-CZ 3.46Å; H88-Y433 VanDerWaalsContact CD2-CZ 3.46Å; L92-Y433 HydrophobicContact CD2-CE1 4.22Å; P402-Y433 HydrophobicContact CG-CD2 4.34Å; V405-Y433 PolarHBondContact O-N 3Å; Y433-R437 VanDerWaalsContact CD2-NH1 3.27Å; Y433-R437 VanDerWaalsContact CZ-NH1 3.35Å; Y433-R437 PolarHBondContact O-NH1 2.94Å; Y433-R437 PolarHBondContact OH-NE 2.98Å; Y433-L512 HydrophobicContact CD2-CD1 3.49Å; Y433-L512 VanDerWaalsContact CD2-CD1 3.49Å; Y433-L512 HydrophobicContact CE2-CD1 4.17Å; Y433-L512 HydrophobicContact CG-CD1 4.23Å
434A98.3Very high96.9Very high1 Ų137.8 Ų37.81%0.00820%0.198CC..Hα-helixtrans-71.6-47.5178.900000111.5L92 F95 I115 G431 L432 G436 R437 D438L92-A434 HydrophobicContact CB-CB 4.23Å; L92-A434 HydrophobicContact CD1-CB 4.01Å; F95-A434 HydrophobicContact CD2-CB 3.53Å; F95-A434 HydrophobicContact CE2-CB 3.89Å; I115-A434 HydrophobicContact CD1-CB 3.74Å; I115-A434 HydrophobicContact CG1-CB 4.36Å; G431-A434 PolarHBondContact O-N 3.49Å; L432-A434 VanDerWaalsContact C-N 3.31Å; L432-A434 PolarHBondContact O-N 3.24Å; A434-G436 VanDerWaalsContact C-N 3.28Å; A434-G436 PolarHBondContact O-N 3.42Å; A434-R437 CarbonylContact O-C 3.58Å; A434-R437 WeakPolarHBondContact O-CA 3.49Å; A434-R437 PolarHBondContact O-N 3.16Å; A434-D438 PolarHBondContact O-N 3.39Å; A434-D438 VanDerWaalsContact O-N 3.12Å
435M97.8Very high96.8Very high5 Ų536.3 Ų36.33%0.02518%0.184CC..Hα-helixtrans-58.2-41.3177.3-178.9-175.568.800111.5I115 P117 L430 G431 L432 R437 D438 V441 F442 L464I115-M435 HydrophobicContact CG1-CB 3.82Å; I115-M435 VanDerWaalsContact O-CG 3.25Å; I115-M435 WeakPolarHBondContact O-CG 3.04Å; P117-M435 HydrophobicContact CG-SD 4.19Å; L430-M435 HydrophobicContact CD1-SD 4.47Å; G431-M435 WeakPolarHBondContact O-CB 3.46Å; G431-M435 PolarHBondContact O-N 2.97Å; L432-M435 HydrophobicContact CD2-CE 4.04Å; L432-M435 PolarHBondContact O-N 3.3Å; M435-R437 PolarHBondContact O-N 2.77Å; M435-R437 VanDerWaalsContact O-N 3.15Å; M435-D438 PolarHBondContact O-N 2.72Å; M435-V441 HydrophobicContact CG-CG1 4.1Å; M435-V441 HydrophobicContact CG-CG2 4.31Å; M435-F442 WeakPolarHBondContact O-CD2 3.49Å; M435-F442 WeakPolarHBondContact O-CE2 3.31Å; M435-L464 HydrophobicContact CE-CD1 4.29Å
436G97.3Very high96.7Very high1 Ų139.8 Ų39.81%0.0119%0.187CC..Hα-helixtrans-57.2-27.2175.400000113.1R399 L432 A434R399-G436 PolarHBondContact NH1-O 2.95Å; L432-G436 PolarHBondContact O-N 2.82Å; A434-G436 VanDerWaalsContact C-N 3.28Å; A434-G436 PolarHBondContact O-N 3.42Å
437R97.4Very high96.7Very high26 Ų2642.9 Ų42.910%0.09820%0.2CC..THydrogen-bonded Turntrans-103.20.7-178.8-71.5175.7174.568.52.6114.5L400 Y433 A434 M435 P439 P445 E446L400-R437 PolarHBondContact O-NH1 2.84Å; L400-R437 PolarHBondContact O-NH2 3.44Å; Y433-R437 VanDerWaalsContact CD2-NH1 3.27Å; Y433-R437 VanDerWaalsContact CZ-NH1 3.35Å; Y433-R437 PolarHBondContact O-NH1 2.94Å; Y433-R437 PolarHBondContact OH-NE 2.98Å; A434-R437 CarbonylContact O-C 3.58Å; A434-R437 WeakPolarHBondContact O-CA 3.49Å; A434-R437 PolarHBondContact O-N 3.16Å; M435-R437 PolarHBondContact O-N 2.77Å; M435-R437 VanDerWaalsContact O-N 3.15Å; R437-P439 WeakPolarHBondContact O-CD 3.32Å; R437-P445 WeakPolarHBondContact O-CB 3.24Å; R437-P445 WeakPolarHBondContact O-CG 3.43Å; R437-E446 WeakPolarHBondContact CG-OE1 3.02Å; R437-E446 IonicContact NE-OE2 3.08Å
438D96.7Very high96.7Very high26 Ų2643 Ų4314%0.13920%0.2CC..  trans-78.6116.8-177.8-172.3-15.6000110.7I115 A434 M435 K440 V441 F442I115-D438 HydrophobicContact CD1-CB 4.25Å; A434-D438 PolarHBondContact O-N 3.39Å; A434-D438 VanDerWaalsContact O-N 3.12Å; M435-D438 PolarHBondContact O-N 2.72Å; D438-K440 PolarHBondContact O-N 3.32Å; D438-K440 VanDerWaalsContact OD1-CB 3.25Å; D438-K440 WeakPolarHBondContact OD1-CB 3.49Å; D438-K440 WeakPolarHBondContact OD1-CG 3.41Å; D438-K440 PolarHBondContact OD1-N 3.19Å; D438-V441 HydrophobicContact CB-CB 4.22Å; D438-V441 HydrophobicContact CB-CG2 3.93Å; D438-V441 PolarHBondContact O-N 3.28Å; D438-F442 PolarHBondContact O-N 2.97Å
439P95.4Very high96.6Very high96 Ų9645.5 Ų45.562%0.62321%0.214SC*.THydrogen-bonded Turntrans-65.1-1717827.9-35.7000113.6R437 V441 F442 P445R437-P439 WeakPolarHBondContact O-CD 3.32Å; P439-V441 VanDerWaalsContact C-N 3.33Å; P439-F442 WeakPolarHBondContact CA-O 3.29Å; P439-P445 HydrophobicContact CB-CG 4.07Å
440K93.6Very high96.5Very high189 Ų18944.8 Ų44.882%0.82221%0.211SC*.THydrogen-bonded Turntrans-76.1-23.2172.6-59.7176.9-178.9174.20112.1D438D438-K440 PolarHBondContact O-N 3.32Å; D438-K440 VanDerWaalsContact OD1-CB 3.25Å; D438-K440 WeakPolarHBondContact OD1-CB 3.49Å; D438-K440 WeakPolarHBondContact OD1-CG 3.41Å; D438-K440 PolarHBondContact OD1-N 3.19Å
441V93.6Very high96.4Very high11 Ų1148 Ų487%0.06723%0.233CC..THydrogen-bonded Turntrans-97.9-42.7179.3-176.30000111.1P117 M435 D438 P439 R462P117-V441 HydrophobicContact CG-CG1 3.7Å; P117-V441 HydrophobicContact CG-CG2 4.38Å; M435-V441 HydrophobicContact CG-CG1 4.1Å; M435-V441 HydrophobicContact CG-CG2 4.31Å; D438-V441 HydrophobicContact CB-CB 4.22Å; D438-V441 HydrophobicContact CB-CG2 3.93Å; D438-V441 PolarHBondContact O-N 3.28Å; P439-V441 VanDerWaalsContact C-N 3.33Å; V441-R462 HydrophobicContact CG1-CG 4.18Å; V441-R462 PolarHBondContact O-NH1 3.27Å; V441-R462 PolarHBondContact O-NH2 3.15Å
442F94.6Very high96.2Very high5 Ų549.9 Ų49.92%0.02224%0.24CC..SBendtrans-123.8124.6-177.8-65.4-82.9000111.9R399 M435 D438 P439 R444 P445 W453 R462R399-F442 VanDerWaalsContact CD-CD1 3.49Å; R399-F442 HydrophobicContact CG-CD2 4.46Å; R399-F442 HydrophobicContact CG-CE1 4.2Å; R399-F442 HydrophobicContact CG-CE2 4.02Å; R399-F442 HydrophobicContact CG-CZ 3.86Å; M435-F442 WeakPolarHBondContact O-CD2 3.49Å; M435-F442 WeakPolarHBondContact O-CE2 3.31Å; D438-F442 PolarHBondContact O-N 2.97Å; P439-F442 WeakPolarHBondContact CA-O 3.29Å; F442-R444 PolarHBondContact O-N 3.29Å; F442-P445 HydrophobicContact CB-CB 4.18Å; F442-P445 WeakPolarHBondContact O-CD 3.27Å; F442-W453 AromaticContact CE1-CH2 3.8Å; F442-W453 HydrophobicContact CE1-CH2 3.8Å; F442-W453 HydrophobicContact CE1-CZ2 4.09Å; F442-W453 HydrophobicContact CZ-CH2 4.14Å; F442-R462 HydrophobicContact CE1-CB 4Å; F442-R462 HydrophobicContact CE1-CG 4.34Å; F442-R462 HydrophobicContact CZ-CB 3.74Å; F442-R462 HydrophobicContact CZ-CG 4.09Å
443F93.3Very high96Very high142 Ų14250.4 Ų50.462%0.62324%0.241SC*.SBendtrans-61.9129.1169.1176.8-104.2000110.7R452F443-R452 PolarHBondContact O-NH1 3.1Å; F443-R452 VanDerWaalsContact O-NH1 3.15Å; F443-R452 PolarHBondContact O-NH2 3.44Å
444R95.9Very high95.7Very high138 Ų13854.1 Ų54.152%0.52126%0.261SS..SBendtrans47.266.8-175-64.2-179-178.6176.1-1110.9F442 E446 Q447F442-R444 PolarHBondContact O-N 3.29Å; R444-E446 VanDerWaalsContact C-N 3.28Å; R444-E446 PolarHBondContact O-N 2.96Å; R444-Q447 HydrophobicContact CB-CB 4.28Å; R444-Q447 HydrophobicContact CB-CG 4.1Å; R444-Q447 PolarHBondContact O-N 3.26Å; R444-Q447 VanDerWaalsContact O-N 3.08Å
445P96.4Very high94.8Very high17 Ų1763.3 Ų63.311%0.1130%0.296CS..THydrogen-bonded Turntrans-64.9-30.3-165.926.9-35000112.9R399 L400 R437 P439 F442 Q447R399-P445 VanDerWaalsContact CZ-O 3.25Å; R399-P445 PolarHBondContact NH1-O 3.46Å; R399-P445 PolarHBondContact NH2-O 2.92Å; L400-P445 WeakPolarHBondContact CD2-O 3.04Å; R437-P445 WeakPolarHBondContact O-CB 3.24Å; R437-P445 WeakPolarHBondContact O-CG 3.43Å; P439-P445 HydrophobicContact CB-CG 4.07Å; F442-P445 HydrophobicContact CB-CB 4.18Å; F442-P445 WeakPolarHBondContact O-CD 3.27Å; P445-Q447 VanDerWaalsContact C-N 3.28Å; P445-Q447 PolarHBondContact O-N 2.63Å
446E95.8Very high93.2Very high123 Ų12368.7 Ų68.758%0.57533%0.329SS*.THydrogen-bonded Turntrans-77.7-9.8178.7-59.6-58.4149.900113.8R437 R444R437-E446 WeakPolarHBondContact CG-OE1 3.02Å; R437-E446 IonicContact NE-OE2 3.08Å; R444-E446 VanDerWaalsContact C-N 3.28Å; R444-E446 PolarHBondContact O-N 2.96Å
447Q96.6Very high91.2Very high84 Ų8477.7 Ų77.739%0.39337%0.371SS..SBendtrans-86.1134.7177.8-65.6-172.6-6.300111.2R399 R444 P445 L449R399-Q447 PolarHBondContact NH2-O 2.74Å; R444-Q447 HydrophobicContact CB-CB 4.28Å; R444-Q447 HydrophobicContact CB-CG 4.1Å; R444-Q447 PolarHBondContact O-N 3.26Å; R444-Q447 VanDerWaalsContact O-N 3.08Å; P445-Q447 VanDerWaalsContact C-N 3.28Å; P445-Q447 PolarHBondContact O-N 2.63Å; Q447-L449 HydrophobicContact CB-CD1 3.93Å; Q447-L449 HydrophobicContact CB-CD2 4.4Å; Q447-L449 HydrophobicContact CB-CG 3.84Å; Q447-L449 PolarHBondContact O-N 2.77Å
448Y97.8Very high89.5Confident5 Ų579.9 Ų79.92%0.0239%0.387CS..  trans-79.898.1173.2-170.3-97.2000109.9E354 L361 A393 E396 T397 L400 P450E354-Y448 HydrophobicContact CB-CD1 3.93Å; E354-Y448 HydrophobicContact CB-CD2 3.69Å; E354-Y448 HydrophobicContact CB-CE1 3.89Å; E354-Y448 HydrophobicContact CB-CE2 3.68Å; E354-Y448 HydrophobicContact CB-CG 3.83Å; E354-Y448 HydrophobicContact CG-CD2 3.54Å; E354-Y448 HydrophobicContact CG-CE2 3.7Å; E354-Y448 HydrophobicContact CG-CG 4.07Å; L361-Y448 HydrophobicContact CD2-CD1 3.57Å; L361-Y448 HydrophobicContact CD2-CE1 3.69Å; A393-Y448 PolarHBondContact O-OH 2.89Å; E396-Y448 HydrophobicContact CB-CD2 4.33Å; E396-Y448 HydrophobicContact CB-CE2 3.94Å; E396-Y448 HydrophobicContact CG-CD2 3.64Å; E396-Y448 HydrophobicContact CG-CE2 3.78Å; E396-Y448 HydrophobicContact CG-CG 4.05Å; T397-Y448 PolarHBondContact OG1-OH 2.81Å; L400-Y448 HydrophobicContact CD1-CD2 3.84Å; Y448-P450 HydrophobicContact CD1-CG 4.04Å; Y448-P450 HydrophobicContact CE1-CG 3.61Å
449L96.3Very high88.4Confident53 Ų5380.8 Ų80.828%0.27739%0.391SS..  trans-12782.1-173.7-61.7176.6000111.8E396 Q447 S451 R452E396-L449 PolarHBondContact OE1-N 2.91Å; Q447-L449 HydrophobicContact CB-CD1 3.93Å; Q447-L449 HydrophobicContact CB-CD2 4.4Å; Q447-L449 HydrophobicContact CB-CG 3.84Å; Q447-L449 PolarHBondContact O-N 2.77Å; L449-S451 PolarHBondContact O-N 2.82Å; L449-S451 VanDerWaalsContact O-N 3.12Å; L449-R452 WeakPolarHBondContact O-CB 3.31Å; L449-R452 VanDerWaalsContact O-CG 3.24Å; L449-R452 WeakPolarHBondContact O-CG 3.38Å; L449-R452 PolarHBondContact O-N 3.04Å; L449-R452 VanDerWaalsContact O-N 3.11Å
450P96.9Very high87.9Confident2 Ų283.1 Ų83.11%0.01339%0.388CS..G310 helixtrans-54.3-32.4179.4-32.541.2000114.9L361 L389 A393 E396 Y448 R452 W453L361-P450 HydrophobicContact CD1-CG 4.02Å; L361-P450 HydrophobicContact CD2-CG 3.72Å; L361-P450 HydrophobicContact CG-CG 4.41Å; L389-P450 HydrophobicContact CD1-CB 3.85Å; L389-P450 HydrophobicContact CG-CB 4.5Å; A393-P450 HydrophobicContact CB-CB 4.16Å; A393-P450 HydrophobicContact CB-CG 3.92Å; E396-P450 HydrophobicContact CB-CG 4.42Å; Y448-P450 HydrophobicContact CD1-CG 4.04Å; Y448-P450 HydrophobicContact CE1-CG 3.61Å; P450-R452 PolarHBondContact O-N 3.09Å; P450-W453 PolarHBondContact O-N 3.48Å
451S95.1Very high87.8Confident66 Ų6675.6 Ų75.646%0.46236%0.356SS..G310 helixtrans-59.5-19.4179.959.20000113.8L449 W453 L454L449-S451 PolarHBondContact O-N 2.82Å; L449-S451 VanDerWaalsContact O-N 3.12Å; S451-W453 PolarHBondContact O-N 2.97Å; S451-W453 VanDerWaalsContact O-N 3.17Å; S451-L454 WeakPolarHBondContact O-CB 3.4Å; S451-L454 PolarHBondContact O-N 2.71Å; S451-L454 VanDerWaalsContact O-N 3.15Å
452R94Very high87.8Confident41 Ų4178.4 Ų78.416%0.15537%0.365CS..G310 helixtrans-60.7-24.8174.179.5174.162.2-107.69.7112.9E396 F443 L449 P450E396-R452 IonicContact OE1-CZ 3.9Å; E396-R452 IonicContact OE1-NE 3.95Å; E396-R452 PolarHBondContact OE1-NE 2.97Å; E396-R452 IonicContact OE1-NH2 3.68Å; E396-R452 WeakPolarHBondContact OE2-CD 3.49Å; E396-R452 IonicContact OE2-NE 3.79Å; E396-R452 PolarHBondContact OE2-NE 3.11Å; F443-R452 PolarHBondContact O-NH1 3.1Å; F443-R452 VanDerWaalsContact O-NH1 3.15Å; F443-R452 PolarHBondContact O-NH2 3.44Å; L449-R452 WeakPolarHBondContact O-CB 3.31Å; L449-R452 VanDerWaalsContact O-CG 3.24Å; L449-R452 WeakPolarHBondContact O-CG 3.38Å; L449-R452 PolarHBondContact O-N 3.04Å; L449-R452 VanDerWaalsContact O-N 3.11Å; P450-R452 PolarHBondContact O-N 3.09Å
453W94.7Very high87.8Confident18 Ų1880.5 Ų80.57%0.06838%0.38CS..G310 helixtrans-89.3-0.9-178-56105.2000113.7K395 E396 R399 F442 P450 S451 Q459 R462K395-W453 HydrophobicContact CB-CD2 3.79Å; K395-W453 HydrophobicContact CB-CE3 4.41Å; K395-W453 HydrophobicContact CB-CG 3.86Å; K395-W453 HydrophobicContact CB-CZ2 4.35Å; K395-W453 HydrophobicContact CD-CB 4.12Å; K395-W453 HydrophobicContact CD-CD2 4.04Å; K395-W453 HydrophobicContact CD-CE3 4.08Å; K395-W453 HydrophobicContact CD-CG 4.07Å; E396-W453 PolarHBondContact OE2-NE1 3.27Å; R399-W453 HydrophobicContact CB-CZ2 4.04Å; R399-W453 HydrophobicContact CG-CZ2 4.38Å; F442-W453 AromaticContact CE1-CH2 3.8Å; F442-W453 HydrophobicContact CE1-CH2 3.8Å; F442-W453 HydrophobicContact CE1-CZ2 4.09Å; F442-W453 HydrophobicContact CZ-CH2 4.14Å; P450-W453 PolarHBondContact O-N 3.48Å; S451-W453 PolarHBondContact O-N 2.97Å; S451-W453 VanDerWaalsContact O-N 3.17Å; W453-Q459 HydrophobicContact CE3-CG 4.45Å; W453-Q459 PolarHBondContact O-NE2 3.43Å; W453-R462 HydrophobicContact CH2-CB 4.21Å; W453-R462 HydrophobicContact CZ3-CB 4.16Å
454L91.8Very high87.9Confident87 Ų8774 Ų7446%0.45535%0.352SS..SBendtrans-82.9-25175.6-57.7179.6000112.4P388 L389 S451P388-L454 HydrophobicContact CB-CD2 3.82Å; P388-L454 HydrophobicContact CG-CD2 4.44Å; L389-L454 HydrophobicContact CD1-CD1 4.16Å; S451-L454 WeakPolarHBondContact O-CB 3.4Å; S451-L454 PolarHBondContact O-N 2.71Å; S451-L454 VanDerWaalsContact O-N 3.15Å
455R79.7Confident87.9Confident194 Ų19468.6 Ų68.673%0.73234%0.339SS*.  trans-90.2125.2179.9-60.2-177.2-177-177.5-0.2110.6Q459R455-Q459 WeakPolarHBondContact O-CG 3.32Å; R455-Q459 PolarHBondContact O-NE2 3.36Å
456T63.4Low88Confident119 Ų11969.7 Ų69.773%0.7334%0.342SS*.SBendtrans-76.7-33.8-174.940.50000114T458T456-T458 PolarHBondContact O-N 2.78Å; T456-T458 VanDerWaalsContact O-N 3.08Å
457E57.1Low88Confident189 Ų18964 Ų6488%0.88332%0.317SS*.THydrogen-bonded Turntrans-68.9-11.3-167.9-63.7175.3-177.600115.1
458T60.7Low88Confident72 Ų7264.2 Ų64.244%0.44232%0.316SS..THydrogen-bonded Turntrans-122.419.2-171.760.10000114.1T456 R462T456-T458 PolarHBondContact O-N 2.78Å; T456-T458 VanDerWaalsContact O-N 3.08Å; T458-R462 WeakPolarHBondContact O-CD 3.25Å; T458-R462 PolarHBondContact O-NE 3.25Å; T458-R462 PolarHBondContact O-NH1 2.7Å
459Q74.3Confident87.9Confident46 Ų4664.9 Ų64.922%0.21533%0.325CS..  trans-103.23.3-171.2-58.9-1709.100115.9W453 R455 F461 R462W453-Q459 HydrophobicContact CE3-CG 4.45Å; W453-Q459 PolarHBondContact O-NE2 3.43Å; R455-Q459 WeakPolarHBondContact O-CG 3.32Å; R455-Q459 PolarHBondContact O-NE2 3.36Å; Q459-F461 PolarHBondContact O-N 3.44Å; Q459-R462 PolarHBondContact O-N 3.09Å
460Y84.9Confident87.8Confident145 Ų14565.8 Ų65.857%0.56933%0.334SS*.THydrogen-bonded Turntrans-53.3113.3-175.1-171.4-103.8000112.1P117 A121 R462P117-Y460 VanDerWaalsContact CB-O 3.31Å; P117-Y460 WeakPolarHBondContact CB-O 3.37Å; A121-Y460 HydrophobicContact CB-CE1 3.9Å; A121-Y460 WeakPolarHBondContact CB-OH 3.44Å; Y460-R462 WeakPolarHBondContact O-CG 2.98Å; Y460-R462 PolarHBondContact O-N 3.46Å; Y460-R462 VanDerWaalsContact O-N 3.12Å
461F90.8Very high87.8Confident31 Ų3166.3 Ų66.314%0.13634%0.336CS..THydrogen-bonded Turntrans50.830.2-177.4-75.5-89.3000115.8P117 A120 A121 F124 Q459 L464 F468P117-F461 HydrophobicContact CB-CB 3.9Å; A120-F461 HydrophobicContact CB-CB 4.24Å; A120-F461 HydrophobicContact CB-CD1 4.06Å; A120-F461 HydrophobicContact CB-CG 4.32Å; A121-F461 HydrophobicContact CB-CD2 3.95Å; A121-F461 HydrophobicContact CB-CE2 3.65Å; A121-F461 HydrophobicContact CB-CZ 4.13Å; F124-F461 HydrophobicContact CB-CE1 4.5Å; F124-F461 AromaticContact CD2-CD1 3.83Å; F124-F461 HydrophobicContact CD2-CD1 3.83Å; F124-F461 AromaticContact CD2-CE1 3.39Å; F124-F461 HydrophobicContact CD2-CE1 3.39Å; F124-F461 HydrophobicContact CD2-CZ 4.39Å; F124-F461 HydrophobicContact CE2-CD1 4.03Å; F124-F461 HydrophobicContact CE2-CE1 4Å; F124-F461 HydrophobicContact CG-CE1 4.32Å; Q459-F461 PolarHBondContact O-N 3.44Å; F461-L464 HydrophobicContact CB-CD1 4.28Å; F461-L464 HydrophobicContact CD1-CD1 4.22Å; F461-L464 HydrophobicContact CD1-CD2 4.01Å; F461-L464 WeakPolarHBondContact O-CD1 3.5Å; F461-F468 HydrophobicContact CD1-CD2 4.46Å; F461-F468 HydrophobicContact CE1-CB 4.49Å; F461-F468 AromaticContact CE1-CD1 3.8Å; F461-F468 HydrophobicContact CE1-CD1 3.8Å; F461-F468 AromaticContact CE1-CD2 3.71Å; F461-F468 HydrophobicContact CE1-CD2 3.71Å; F461-F468 AromaticContact CE1-CE1 3.86Å; F461-F468 HydrophobicContact CE1-CE1 3.86Å; F461-F468 AromaticContact CE1-CE2 3.76Å; F461-F468 HydrophobicContact CE1-CE2 3.76Å; F461-F468 AromaticContact CE1-CG 3.73Å; F461-F468 HydrophobicContact CE1-CG 3.73Å; F461-F468 AromaticContact CE1-CZ 3.85Å; F461-F468 HydrophobicContact CE1-CZ 3.85Å; F461-F468 HydrophobicContact CZ-CD1 4.25Å; F461-F468 HydrophobicContact CZ-CD2 4.26Å; F461-F468 AromaticContact CZ-CE1 3.82Å; F461-F468 HydrophobicContact CZ-CE1 3.82Å; F461-F468 AromaticContact CZ-CE2 3.83Å; F461-F468 HydrophobicContact CZ-CE2 3.83Å; F461-F468 HydrophobicContact CZ-CG 4.46Å; F461-F468 AromaticContact CZ-CZ 3.59Å; F461-F468 HydrophobicContact CZ-CZ 3.59Å
462R93.1Very high87.9Confident69 Ų6965.1 Ų65.126%0.2632%0.323SS..THydrogen-bonded Turntrans-97.7-26.3177.6-66.9-172-169.7172.3-12.5114.3P117 V441 F442 W453 T458 Q459 Y460P117-R462 HydrophobicContact CG-CG 4.18Å; V441-R462 HydrophobicContact CG1-CG 4.18Å; V441-R462 PolarHBondContact O-NH1 3.27Å; V441-R462 PolarHBondContact O-NH2 3.15Å; F442-R462 HydrophobicContact CE1-CB 4Å; F442-R462 HydrophobicContact CE1-CG 4.34Å; F442-R462 HydrophobicContact CZ-CB 3.74Å; F442-R462 HydrophobicContact CZ-CG 4.09Å; W453-R462 HydrophobicContact CH2-CB 4.21Å; W453-R462 HydrophobicContact CZ3-CB 4.16Å; T458-R462 WeakPolarHBondContact O-CD 3.25Å; T458-R462 PolarHBondContact O-NE 3.25Å; T458-R462 PolarHBondContact O-NH1 2.7Å; Q459-R462 PolarHBondContact O-N 3.09Å; Y460-R462 WeakPolarHBondContact O-CG 2.98Å; Y460-R462 PolarHBondContact O-N 3.46Å; Y460-R462 VanDerWaalsContact O-N 3.12Å
463S94.4Very high88.1Confident50 Ų5065.4 Ų65.435%0.3533%0.331SS..  trans-99.482.7178174.30000110.6
464L96.4Very high88.2Confident6 Ų665.3 Ų65.33%0.03133%0.331CS..  trans-119.413.9-172-68.3179000114.6A120 F124 L407 L430 L432 M435 F461 F466 G467 F468A120-L464 HydrophobicContact CB-CD1 4.43Å; F124-L464 HydrophobicContact CE2-CD1 4.32Å; F124-L464 HydrophobicContact CE2-CD2 4.4Å; L407-L464 HydrophobicContact CD1-CB 3.94Å; L407-L464 HydrophobicContact CD1-CD1 4.48Å; L430-L464 HydrophobicContact CD2-CD1 3.31Å; L432-L464 HydrophobicContact CD2-CB 3.7Å; L432-L464 HydrophobicContact CD2-CD1 4.5Å; M435-L464 HydrophobicContact CE-CD1 4.29Å; F461-L464 HydrophobicContact CB-CD1 4.28Å; F461-L464 HydrophobicContact CD1-CD1 4.22Å; F461-L464 HydrophobicContact CD1-CD2 4.01Å; F461-L464 WeakPolarHBondContact O-CD1 3.5Å; L464-F466 PolarHBondContact O-N 3.23Å; L464-F466 VanDerWaalsContact O-N 3.14Å; L464-G467 PolarHBondContact O-N 2.77Å; L464-F468 HydrophobicContact CD2-CB 3.95Å; L464-F468 HydrophobicContact CD2-CD2 4.44Å
465G96.1Very high88.5Confident24 Ų2461.9 Ų61.925%0.24732%0.317CS..THydrogen-bonded Turntrans-57.6-29.3-179.100000114.6
466F97.8Very high89.3Confident39 Ų3956 Ų5617%0.17130%0.295CS..THydrogen-bonded Turntrans-97.98.1175-68.6-76000113.7L398 L464 C473 R476 A479 E480 M483L398-F466 HydrophobicContact CD1-CD2 4.21Å; L398-F466 HydrophobicContact CD1-CE2 3.62Å; L398-F466 HydrophobicContact CD1-CZ 4.14Å; L464-F466 PolarHBondContact O-N 3.23Å; L464-F466 VanDerWaalsContact O-N 3.14Å; F466-C473 HydrophobicContact CB-CB 3.98Å; F466-C473 HydrophobicContact CD1-CB 3.78Å; F466-C473 HydrophobicContact CG-CB 4.38Å; F466-C473 WeakPolarHBondContact O-CB 3.28Å; F466-C473 PolarHBondContact O-N 3.43Å; F466-R476 HydrophobicContact CB-CB 4.34Å; F466-R476 HydrophobicContact CB-CG 3.98Å; F466-R476 HydrophobicContact CD1-CB 4Å; F466-R476 HydrophobicContact CD1-CG 3.95Å; F466-R476 HydrophobicContact CD2-CG 3.99Å; F466-R476 HydrophobicContact CE1-CG 4.43Å; F466-R476 HydrophobicContact CE2-CG 4.46Å; F466-R476 HydrophobicContact CG-CB 4.17Å; F466-R476 HydrophobicContact CG-CG 3.7Å; F466-A479 HydrophobicContact CE1-CB 3.86Å; F466-A479 HydrophobicContact CZ-CB 4.1Å; F466-E480 HydrophobicContact CE2-CG 3.8Å; F466-E480 HydrophobicContact CZ-CG 4.07Å; F466-M483 HydrophobicContact CZ-CE 3.95Å
467G96.6Very high90.9Very high4 Ų453.3 Ų53.34%0.04127%0.271CS..  trans76-167.6-170.200000113.6L464L464-G467 PolarHBondContact O-N 2.77Å
468F96Very high92.8Very high88 Ų8844.6 Ų44.639%0.38623%0.231SC..  trans-142.1160.9-179-173.7-94.7000110.9F124 R409 F461 L464F124-F468 HydrophobicContact CB-CD1 3.66Å; F124-F468 HydrophobicContact CB-CE1 4.04Å; F124-F468 HydrophobicContact CD1-CB 4.23Å; F124-F468 HydrophobicContact CD1-CD1 4.18Å; F124-F468 HydrophobicContact CD2-CB 3.98Å; F124-F468 AromaticContact CD2-CD1 3.85Å; F124-F468 HydrophobicContact CD2-CD1 3.85Å; F124-F468 HydrophobicContact CD2-CG 4.1Å; F124-F468 HydrophobicContact CE1-CB 4.12Å; F124-F468 HydrophobicContact CE2-CB 3.84Å; F124-F468 HydrophobicContact CE2-CG 4.4Å; F124-F468 HydrophobicContact CG-CB 4.18Å; F124-F468 AromaticContact CG-CD1 3.63Å; F124-F468 HydrophobicContact CG-CD1 3.63Å; F124-F468 HydrophobicContact CG-CE1 4.46Å; F124-F468 HydrophobicContact CG-CG 4.25Å; F124-F468 HydrophobicContact CZ-CB 3.92Å; R409-F468 PolarHBondContact NH2-O 2.81Å; F461-F468 HydrophobicContact CD1-CD2 4.46Å; F461-F468 HydrophobicContact CE1-CB 4.49Å; F461-F468 AromaticContact CE1-CD1 3.8Å; F461-F468 HydrophobicContact CE1-CD1 3.8Å; F461-F468 AromaticContact CE1-CD2 3.71Å; F461-F468 HydrophobicContact CE1-CD2 3.71Å; F461-F468 AromaticContact CE1-CE1 3.86Å; F461-F468 HydrophobicContact CE1-CE1 3.86Å; F461-F468 AromaticContact CE1-CE2 3.76Å; F461-F468 HydrophobicContact CE1-CE2 3.76Å; F461-F468 AromaticContact CE1-CG 3.73Å; F461-F468 HydrophobicContact CE1-CG 3.73Å; F461-F468 AromaticContact CE1-CZ 3.85Å; F461-F468 HydrophobicContact CE1-CZ 3.85Å; F461-F468 HydrophobicContact CZ-CD1 4.25Å; F461-F468 HydrophobicContact CZ-CD2 4.26Å; F461-F468 AromaticContact CZ-CE1 3.82Å; F461-F468 HydrophobicContact CZ-CE1 3.82Å; F461-F468 AromaticContact CZ-CE2 3.83Å; F461-F468 HydrophobicContact CZ-CE2 3.83Å; F461-F468 HydrophobicContact CZ-CG 4.46Å; F461-F468 AromaticContact CZ-CZ 3.59Å; F461-F468 HydrophobicContact CZ-CZ 3.59Å; L464-F468 HydrophobicContact CD2-CB 3.95Å; L464-F468 HydrophobicContact CD2-CD2 4.44Å
469G94.9Very high94.6Very high19 Ų1941.6 Ų41.620%0.19621%0.213CC..SBendtrans78.4-173.1172.800000114.6R471 Q472G469-R471 PolarHBondContact O-N 3.23Å; G469-R471 VanDerWaalsContact O-N 3.11Å; G469-Q472 WeakPolarHBondContact O-CB 3.49Å; G469-Q472 WeakPolarHBondContact O-CG 3.21Å; G469-Q472 PolarHBondContact O-N 3.04Å
470P95.1Very high95.8Very high73 Ų7340.8 Ų40.847%0.47421%0.209SC..THydrogen-bonded Turntrans-60.9-21.7-178.425.1-36.2000113.4E127 P131 W160 R164E127-P470 WeakPolarHBondContact OE1-CD 3.44Å; P131-P470 HydrophobicContact CG-CG 3.98Å; W160-P470 HydrophobicContact CH2-CB 4.21Å; R164-P470 PolarHBondContact NH2-O 2.89Å
471R96.8Very high96.4Very high12 Ų1234.1 Ų34.15%0.04518%0.184CC..THydrogen-bonded Turntrans-98.615.3175.1-155.5161.4-177.6173.22113.8P131 R133 L153 K155 N156 W160 G469P131-R471 HydrophobicContact CB-CB 4.1Å; P131-R471 HydrophobicContact CG-CB 4.27Å; P131-R471 WeakPolarHBondContact O-CD 3.25Å; P131-R471 PolarHBondContact O-NH1 3.01Å; R133-R471 PolarHBondContact NH2-O 2.81Å; L153-R471 PolarHBondContact O-NH2 3.25Å; K155-R471 PolarHBondContact O-NH2 3.28Å; N156-R471 PolarHBondContact OD1-NH1 3.24Å; N156-R471 PolarHBondContact OD1-NH2 2.98Å; W160-R471 HydrophobicContact CH2-CB 4.08Å; W160-R471 HydrophobicContact CH2-CG 4.44Å; W160-R471 HydrophobicContact CZ2-CB 3.51Å; W160-R471 HydrophobicContact CZ2-CG 3.51Å; G469-R471 PolarHBondContact O-N 3.23Å; G469-R471 VanDerWaalsContact O-N 3.11Å
472Q97.1Very high96.8Very high42 Ų4232.7 Ų32.720%0.19618%0.178CC..SBendtrans-54.4171.1171.570.5177.4-22.600112.4R164 G469 L474R164-Q472 VanDerWaalsContact CZ-O 3.23Å; R164-Q472 PolarHBondContact NH1-O 3.48Å; R164-Q472 PolarHBondContact NH2-O 3.33Å; G469-Q472 WeakPolarHBondContact O-CB 3.49Å; G469-Q472 WeakPolarHBondContact O-CG 3.21Å; G469-Q472 PolarHBondContact O-N 3.04Å; Q472-L474 PolarHBondContact O-N 3.48Å
473C98.1Very high97.1Very high47 Ų4729.5 Ų29.532%0.31817%0.166SC..  trans-50128177.3-178.20000111.1F466 R476F466-C473 HydrophobicContact CB-CB 3.98Å; F466-C473 HydrophobicContact CD1-CB 3.78Å; F466-C473 HydrophobicContact CG-CB 4.38Å; F466-C473 WeakPolarHBondContact O-CB 3.28Å; F466-C473 PolarHBondContact O-N 3.43Å; C473-R476 HydrophobicContact CB-CB 4.19Å; C473-R476 WeakPolarHBondContact O-CB 2.99Å
474L97.7Very high97.3Very high15 Ų1527.9 Ų27.98%0.07915%0.152CC..THydrogen-bonded Turntrans-70.7-43.6178.7178.460.3000110.7V152 L167 V171 I172 L336 Q472 R476V152-L474 HydrophobicContact CG1-CD2 3.71Å; L167-L474 HydrophobicContact CB-CD1 4.08Å; L167-L474 HydrophobicContact CB-CD2 4.02Å; L167-L474 HydrophobicContact CD1-CD2 3.89Å; L167-L474 HydrophobicContact CG-CD2 4.46Å; V171-L474 HydrophobicContact CB-CD1 4.16Å; V171-L474 HydrophobicContact CB-CG 4.46Å; V171-L474 HydrophobicContact CG1-CD1 4.33Å; V171-L474 HydrophobicContact CG1-CG 4.21Å; V171-L474 WeakPolarHBondContact CG1-O 3.34Å; I172-L474 HydrophobicContact CD1-CD1 3.99Å; I172-L474 HydrophobicContact CG1-CD1 4.04Å; I172-L474 VanDerWaalsContact CG1-O 3.29Å; I172-L474 WeakPolarHBondContact CG1-O 3.48Å; L336-L474 HydrophobicContact CD1-CD2 3.97Å; L336-L474 HydrophobicContact CD2-CB 4.09Å; L336-L474 HydrophobicContact CD2-CD2 3.76Å; L336-L474 HydrophobicContact CD2-CG 3.82Å; L336-L474 HydrophobicContact CG-CD2 4.12Å; Q472-L474 PolarHBondContact O-N 3.48Å; L474-R476 PolarHBondContact O-N 2.87Å; L474-R476 VanDerWaalsContact O-N 3.17Å
475G97.3Very high97.4Very high15 Ų1527.6 Ų27.616%0.15515%0.151CC..THydrogen-bonded Turntrans-77.111.6177.800000115R477 I478 A479G475-R477 VanDerWaalsContact C-N 3.3Å; G475-R477 PolarHBondContact O-N 2.66Å; G475-I478 PolarHBondContact O-N 3.46Å; G475-A479 WeakPolarHBondContact O-CB 3.23Å; G475-A479 PolarHBondContact O-N 3.2Å
476R97.5Very high97.5Very high71 Ų7126.5 Ų26.527%0.26814%0.139SC..Hα-helixtrans-53.5-45.9-175176.2177.2177.3-178.7-2.1112.5F466 C473 L474 E480F466-R476 HydrophobicContact CB-CB 4.34Å; F466-R476 HydrophobicContact CB-CG 3.98Å; F466-R476 HydrophobicContact CD1-CB 4Å; F466-R476 HydrophobicContact CD1-CG 3.95Å; F466-R476 HydrophobicContact CD2-CG 3.99Å; F466-R476 HydrophobicContact CE1-CG 4.43Å; F466-R476 HydrophobicContact CE2-CG 4.46Å; F466-R476 HydrophobicContact CG-CB 4.17Å; F466-R476 HydrophobicContact CG-CG 3.7Å; C473-R476 HydrophobicContact CB-CB 4.19Å; C473-R476 WeakPolarHBondContact O-CB 2.99Å; L474-R476 PolarHBondContact O-N 2.87Å; L474-R476 VanDerWaalsContact O-N 3.17Å; R476-E480 HydrophobicContact CG-CG 4.28Å; R476-E480 IonicContact CZ-OE1 2.81Å; R476-E480 IonicContact NE-OE1 3.34Å; R476-E480 PolarHBondContact NE-OE1 3.47Å; R476-E480 IonicContact NE-OE2 3.09Å; R476-E480 IonicContact NH2-OE1 2.71Å; R476-E480 PolarHBondContact NH2-OE1 3.43Å; R476-E480 VanDerWaalsContact O-CB 3.31Å; R476-E480 WeakPolarHBondContact O-CB 3.44Å; R476-E480 WeakPolarHBondContact O-CG 3.33Å; R476-E480 PolarHBondContact O-N 3.21Å
477R96.1Very high97.6Very high62 Ų6224.7 Ų24.723%0.23413%0.132CC..Hα-helixtrans-68-44.9-176.5-173.262.463.2-1586.3111.2M174 L177 G475 E480 T481M174-R477 PolarHBondContact SD-NH2 2.84Å; L177-R477 HydrophobicContact CD2-CG 3.87Å; L177-R477 HydrophobicContact CG-CG 4.39Å; G475-R477 VanDerWaalsContact C-N 3.3Å; G475-R477 PolarHBondContact O-N 2.66Å; R477-E480 IonicContact NH1-OE2 3.61Å; R477-E480 PolarHBondContact NH1-OE2 3.49Å; R477-T481 WeakPolarHBondContact O-CB 3.14Å; R477-T481 PolarHBondContact O-N 2.96Å; R477-T481 PolarHBondContact O-OG1 3.05Å
478I97.8Very high97.7Very high7 Ų724.5 Ų24.54%0.03613%0.13CC..Hα-helixtrans-56.7-55.2174.7-60.1176.7000109.5V171 F180 V226 L227 G475 E480 T481 E482V171-I478 HydrophobicContact CG1-CD1 3.76Å; V171-I478 HydrophobicContact CG1-CG1 4.25Å; F180-I478 HydrophobicContact CD2-CG1 4.11Å; F180-I478 HydrophobicContact CE2-CD1 4.41Å; F180-I478 HydrophobicContact CE2-CG1 3.77Å; F180-I478 HydrophobicContact CZ-CG1 4.37Å; V226-I478 HydrophobicContact CG1-CD1 3.64Å; V226-I478 HydrophobicContact CG1-CG1 3.99Å; V226-I478 HydrophobicContact CG1-CG2 4.37Å; V226-I478 HydrophobicContact CG2-CG2 4.49Å; L227-I478 HydrophobicContact CD2-CD1 4.44Å; G475-I478 PolarHBondContact O-N 3.46Å; I478-E480 PolarHBondContact O-N 3.39Å; I478-T481 PolarHBondContact O-N 3.42Å; I478-E482 VanDerWaalsContact O-CB 3.24Å; I478-E482 WeakPolarHBondContact O-CB 3.39Å; I478-E482 PolarHBondContact O-N 3.36Å
479A98.4Very high97.8Very high9 Ų921 Ų217%0.07412%0.115CC..Hα-helixtrans-60.9-45.5-177.700000113.1T344 F466 G475 T481 M483T344-A479 HydrophobicContact CG2-CB 3.56Å; F466-A479 HydrophobicContact CE1-CB 3.86Å; F466-A479 HydrophobicContact CZ-CB 4.1Å; G475-A479 WeakPolarHBondContact O-CB 3.23Å; G475-A479 PolarHBondContact O-N 3.2Å; A479-T481 VanDerWaalsContact C-N 3.35Å; A479-T481 PolarHBondContact O-N 3.39Å; A479-M483 HydrophobicContact CB-CE 4.36Å; A479-M483 WeakPolarHBondContact O-CB 3.14Å; A479-M483 VanDerWaalsContact O-CE 3.29Å; A479-M483 WeakPolarHBondContact O-CE 3.35Å; A479-M483 VanDerWaalsContact O-CG 3.23Å; A479-M483 WeakPolarHBondContact O-CG 3.29Å; A479-M483 PolarHBondContact O-N 3.01Å
480E98.3Very high98Very high28 Ų2820.1 Ų20.113%0.13111%0.105CC..Hα-helixtrans-60.3-45.2177.1-80178.1172.300111.2F466 R476 R477 I478 Q484F466-E480 HydrophobicContact CE2-CG 3.8Å; F466-E480 HydrophobicContact CZ-CG 4.07Å; R476-E480 HydrophobicContact CG-CG 4.28Å; R476-E480 IonicContact CZ-OE1 2.81Å; R476-E480 IonicContact NE-OE1 3.34Å; R476-E480 PolarHBondContact NE-OE1 3.47Å; R476-E480 IonicContact NE-OE2 3.09Å; R476-E480 IonicContact NH2-OE1 2.71Å; R476-E480 PolarHBondContact NH2-OE1 3.43Å; R476-E480 VanDerWaalsContact O-CB 3.31Å; R476-E480 WeakPolarHBondContact O-CB 3.44Å; R476-E480 WeakPolarHBondContact O-CG 3.33Å; R476-E480 PolarHBondContact O-N 3.21Å; R477-E480 IonicContact NH1-OE2 3.61Å; R477-E480 PolarHBondContact NH1-OE2 3.49Å; I478-E480 PolarHBondContact O-N 3.39Å; E480-Q484 WeakPolarHBondContact O-CB 3.47Å; E480-Q484 WeakPolarHBondContact O-CG 3.28Å; E480-Q484 PolarHBondContact O-N 2.95Å; E480-Q484 VanDerWaalsContact O-N 3.11Å; E480-Q484 PolarHBondContact O-NE2 3.45Å
481T98.4Very high98.1Very high5 Ų516.8 Ų16.83%0.0318%0.083CC..Hα-helixtrans-69.1-47.3-179.5-610000111.8L177 V181 L184 L384 R477 I478 A479 M483 Q484 I485L177-T481 HydrophobicContact CD2-CG2 4.25Å; L177-T481 WeakPolarHBondContact CD2-OG1 3.46Å; V181-T481 HydrophobicContact CG2-CG2 3.88Å; L184-T481 HydrophobicContact CD1-CG2 3.7Å; L384-T481 HydrophobicContact CD1-CG2 4.02Å; R477-T481 WeakPolarHBondContact O-CB 3.14Å; R477-T481 PolarHBondContact O-N 2.96Å; R477-T481 PolarHBondContact O-OG1 3.05Å; I478-T481 PolarHBondContact O-N 3.42Å; A479-T481 VanDerWaalsContact C-N 3.35Å; A479-T481 PolarHBondContact O-N 3.39Å; T481-M483 PolarHBondContact O-N 3.34Å; T481-Q484 PolarHBondContact O-N 3.16Å; T481-I485 HydrophobicContact CG2-CD1 3.69Å; T481-I485 HydrophobicContact CG2-CG1 4.32Å; T481-I485 WeakPolarHBondContact O-CB 3.42Å; T481-I485 WeakPolarHBondContact O-CG1 3.13Å; T481-I485 PolarHBondContact O-N 2.96Å
482E98.6Very high98.2Very high2 Ų218.8 Ų18.81%0.0099%0.093CC..Hα-helixtrans-53.1-53.1176177.1-167.3145.500110.7L184 Y218 T344 I478 Q484 I485 F486L184-E482 HydrophobicContact CD1-CB 4.25Å; L184-E482 HydrophobicContact CD2-CB 4.05Å; L184-E482 HydrophobicContact CD2-CG 4.24Å; Y218-E482 HydrophobicContact CE1-CG 3.79Å; Y218-E482 PolarHBondContact OH-O 3.25Å; T344-E482 WeakPolarHBondContact CB-OE1 3.28Å; T344-E482 PolarHBondContact OG1-OE1 3.14Å; I478-E482 VanDerWaalsContact O-CB 3.24Å; I478-E482 WeakPolarHBondContact O-CB 3.39Å; I478-E482 PolarHBondContact O-N 3.36Å; E482-Q484 VanDerWaalsContact C-N 3.34Å; E482-Q484 PolarHBondContact O-N 2.82Å; E482-I485 PolarHBondContact O-N 3.11Å; E482-F486 VanDerWaalsContact O-CB 3.31Å; E482-F486 WeakPolarHBondContact O-CB 3.33Å; E482-F486 PolarHBondContact O-N 3.29Å
483M98.8Very high98.2Very high2 Ų219 Ų191%0.0110%0.096CC..Hα-helixtrans-67.4-33.3-178-66.7-172.7-70.200113.1T344 T347 L348 L394 F466 A479 T481 L487T344-M483 HydrophobicContact CG2-CG 4.28Å; T344-M483 HydrophobicContact CG2-SD 4.46Å; T347-M483 HydrophobicContact CG2-CE 4.33Å; T347-M483 HydrophobicContact CG2-SD 3.51Å; T347-M483 VanDerWaalsContact CG2-SD 3.51Å; L348-M483 HydrophobicContact CD1-CG 4.33Å; L348-M483 HydrophobicContact CD2-CB 3.78Å; L348-M483 HydrophobicContact CD2-CG 3.78Å; L348-M483 HydrophobicContact CG-CB 4.41Å; L348-M483 HydrophobicContact CG-CG 3.85Å; L348-M483 HydrophobicContact CG-SD 4.46Å; L394-M483 HydrophobicContact CD1-CB 3.82Å; L394-M483 HydrophobicContact CD2-CB 3.83Å; L394-M483 HydrophobicContact CD2-SD 4.09Å; F466-M483 HydrophobicContact CZ-CE 3.95Å; A479-M483 HydrophobicContact CB-CE 4.36Å; A479-M483 WeakPolarHBondContact O-CB 3.14Å; A479-M483 VanDerWaalsContact O-CE 3.29Å; A479-M483 WeakPolarHBondContact O-CE 3.35Å; A479-M483 VanDerWaalsContact O-CG 3.23Å; A479-M483 WeakPolarHBondContact O-CG 3.29Å; A479-M483 PolarHBondContact O-N 3.01Å; T481-M483 PolarHBondContact O-N 3.34Å; M483-L487 WeakPolarHBondContact O-CB 3.5Å; M483-L487 VanDerWaalsContact O-CG 3.29Å; M483-L487 WeakPolarHBondContact O-CG 3.29Å; M483-L487 PolarHBondContact O-N 3.06Å; M483-L487 VanDerWaalsContact O-N 3.1Å
484Q98.8Very high98.3Very high15 Ų1516.8 Ų16.87%0.078%0.081CC..Hα-helixtrans-68.6-48.2176.7-76.9162.952.900111.4L384 I387 K391 L394 E480 T481 E482 L487 I488L384-Q484 HydrophobicContact CD2-CB 3.51Å; L384-Q484 HydrophobicContact CD2-CG 4.42Å; I387-Q484 HydrophobicContact CD1-CB 4.03Å; I387-Q484 HydrophobicContact CD1-CG 4.07Å; K391-Q484 HydrophobicContact CG-CG 4.28Å; L394-Q484 HydrophobicContact CD1-CG 3.72Å; E480-Q484 WeakPolarHBondContact O-CB 3.47Å; E480-Q484 WeakPolarHBondContact O-CG 3.28Å; E480-Q484 PolarHBondContact O-N 2.95Å; E480-Q484 VanDerWaalsContact O-N 3.11Å; E480-Q484 PolarHBondContact O-NE2 3.45Å; T481-Q484 PolarHBondContact O-N 3.16Å; E482-Q484 VanDerWaalsContact C-N 3.34Å; E482-Q484 PolarHBondContact O-N 2.82Å; Q484-L487 PolarHBondContact O-N 3.44Å; Q484-I488 WeakPolarHBondContact O-CG1 3.44Å; Q484-I488 PolarHBondContact O-N 3.25Å
485I98.8Very high98.3Very high0 Ų021.3 Ų21.30%010%0.097CC..Hα-helixtrans-61-46.3177.5-71.4176.9000110.2V181 L184 D185 M380 L384 T481 E482 L487 I488 H489V181-I485 HydrophobicContact CB-CD1 4.45Å; V181-I485 HydrophobicContact CG1-CD1 4.16Å; V181-I485 HydrophobicContact CG2-CD1 4.33Å; L184-I485 HydrophobicContact CB-CD1 3.8Å; D185-I485 HydrophobicContact CB-CG2 4.45Å; M380-I485 HydrophobicContact CG-CD1 4.15Å; M380-I485 HydrophobicContact CG-CG1 4.07Å; M380-I485 HydrophobicContact SD-CG1 4.02Å; L384-I485 HydrophobicContact CD1-CD1 4.45Å; L384-I485 HydrophobicContact CD1-CG1 4.36Å; L384-I485 HydrophobicContact CD2-CG1 4.14Å; T481-I485 HydrophobicContact CG2-CD1 3.69Å; T481-I485 HydrophobicContact CG2-CG1 4.32Å; T481-I485 WeakPolarHBondContact O-CB 3.42Å; T481-I485 WeakPolarHBondContact O-CG1 3.13Å; T481-I485 PolarHBondContact O-N 2.96Å; E482-I485 PolarHBondContact O-N 3.11Å; I485-L487 VanDerWaalsContact C-N 3.33Å; I485-L487 PolarHBondContact O-N 3.42Å; I485-I488 PolarHBondContact O-N 3.29Å; I485-H489 PolarHBondContact O-CD2 3.2Å; I485-H489 VanDerWaalsContact O-CD2 3.24Å; I485-H489 PolarHBondContact O-N 3.42Å
486F98.8Very high98.3Very high1 Ų120.8 Ų20.80%0.0049%0.09CC..Hα-helixtrans-53.7-48.9174.7179.2-93.7000112.1F191 L215 Y218 L348 L352 E482 H489 M490F191-F486 HydrophobicContact CD1-CD2 4.43Å; F191-F486 AromaticContact CD1-CE2 3.59Å; F191-F486 HydrophobicContact CD1-CE2 3.59Å; F191-F486 HydrophobicContact CD1-CZ 4.31Å; F191-F486 HydrophobicContact CD2-CE2 4.41Å; F191-F486 AromaticContact CE1-CE2 3.51Å; F191-F486 HydrophobicContact CE1-CE2 3.51Å; F191-F486 AromaticContact CE1-CZ 3.83Å; F191-F486 HydrophobicContact CE1-CZ 3.83Å; F191-F486 HydrophobicContact CE2-CE2 4.33Å; F191-F486 HydrophobicContact CG-CE2 4.06Å; F191-F486 AromaticContact CZ-CE2 3.9Å; F191-F486 HydrophobicContact CZ-CE2 3.9Å; F191-F486 HydrophobicContact CZ-CZ 4.19Å; L215-F486 HydrophobicContact CD2-CE1 4.1Å; L215-F486 HydrophobicContact CD2-CE2 3.77Å; L215-F486 HydrophobicContact CD2-CZ 3.39Å; Y218-F486 AromaticContact CD1-CD2 3.8Å; Y218-F486 HydrophobicContact CD1-CD2 3.8Å; Y218-F486 HydrophobicContact CD1-CE2 4.24Å; Y218-F486 HydrophobicContact CD2-CD2 4.13Å; Y218-F486 HydrophobicContact CD2-CE2 4.47Å; Y218-F486 HydrophobicContact CE1-CB 3.86Å; Y218-F486 AromaticContact CE1-CD2 3.51Å; Y218-F486 HydrophobicContact CE1-CD2 3.51Å; Y218-F486 HydrophobicContact CE1-CE2 4.38Å; Y218-F486 AromaticContact CE1-CG 3.96Å; Y218-F486 HydrophobicContact CE1-CG 3.96Å; Y218-F486 AromaticContact CE2-CD2 3.85Å; Y218-F486 HydrophobicContact CE2-CD2 3.85Å; Y218-F486 HydrophobicContact CG-CD2 4.12Å; Y218-F486 HydrophobicContact CG-CE2 4.31Å; Y218-F486 AromaticContact CZ-CD2 3.56Å; L348-F486 HydrophobicContact CB-CE1 4.38Å; L348-F486 HydrophobicContact CD1-CB 4.17Å; L348-F486 HydrophobicContact CD1-CD1 3.77Å; L348-F486 HydrophobicContact CD1-CD2 4.19Å; L348-F486 HydrophobicContact CD1-CE1 4.17Å; L348-F486 HydrophobicContact CD1-CG 3.76Å; L348-F486 HydrophobicContact CD2-CB 4.27Å; L348-F486 HydrophobicContact CD2-CD1 3.42Å; L348-F486 VanDerWaalsContact CD2-CD1 3.42Å; L348-F486 HydrophobicContact CD2-CE1 4.03Å; L348-F486 HydrophobicContact CD2-CG 4.07Å; L348-F486 HydrophobicContact CG-CD1 4.08Å; L348-F486 HydrophobicContact CG-CE1 4.42Å; L352-F486 HydrophobicContact CD1-CE1 4.07Å; L352-F486 HydrophobicContact CD1-CZ 4.22Å; L352-F486 HydrophobicContact CD2-CE1 4.21Å; L352-F486 HydrophobicContact CG-CE1 4.36Å; E482-F486 VanDerWaalsContact O-CB 3.31Å; E482-F486 WeakPolarHBondContact O-CB 3.33Å; E482-F486 PolarHBondContact O-N 3.29Å; F486-H489 PolarHBondContact O-N 3.1Å; F486-M490 HydrophobicContact CD1-CG 3.93Å; F486-M490 HydrophobicContact CD2-CG 4.39Å; F486-M490 HydrophobicContact CE1-CG 3.5Å; F486-M490 VanDerWaalsContact CE1-CG 3.5Å; F486-M490 HydrophobicContact CE2-CG 4Å; F486-M490 HydrophobicContact CE2-SD 4.33Å; F486-M490 HydrophobicContact CG-CG 4.37Å; F486-M490 HydrophobicContact CZ-CG 3.52Å; F486-M490 HydrophobicContact CZ-SD 3.99Å; F486-M490 WeakPolarHBondContact O-CB 3.27Å; F486-M490 VanDerWaalsContact O-CG 3.25Å; F486-M490 WeakPolarHBondContact O-CG 3.41Å; F486-M490 PolarHBondContact O-N 3.39Å
487L98.8Very high98.2Very high2 Ų220.2 Ų20.21%0.019%0.091CC..Hα-helixtrans-67.6-36.9-178.9-73.4176.8000112.8L348 T351 L352 L355 V390 L394 M483 Q484 I485 M490 L491L348-L487 HydrophobicContact CD2-CG 4.35Å; T351-L487 HydrophobicContact CG2-CD1 3.9Å; T351-L487 HydrophobicContact CG2-CD2 3.97Å; L352-L487 HydrophobicContact CD2-CD2 4.35Å; L355-L487 HydrophobicContact CD1-CD2 4.36Å; V390-L487 HydrophobicContact CG1-CB 4.05Å; V390-L487 HydrophobicContact CG1-CD1 3.94Å; L394-L487 HydrophobicContact CD1-CD1 4.2Å; L394-L487 HydrophobicContact CD2-CD1 3.63Å; L394-L487 HydrophobicContact CG-CD1 3.79Å; M483-L487 WeakPolarHBondContact O-CB 3.5Å; M483-L487 VanDerWaalsContact O-CG 3.29Å; M483-L487 WeakPolarHBondContact O-CG 3.29Å; M483-L487 PolarHBondContact O-N 3.06Å; M483-L487 VanDerWaalsContact O-N 3.1Å; Q484-L487 PolarHBondContact O-N 3.44Å; I485-L487 VanDerWaalsContact C-N 3.33Å; I485-L487 PolarHBondContact O-N 3.42Å; L487-M490 PolarHBondContact O-N 3.24Å; L487-L491 VanDerWaalsContact O-CB 3.24Å; L487-L491 WeakPolarHBondContact O-CB 3.44Å; L487-L491 WeakPolarHBondContact O-CD1 3.44Å; L487-L491 WeakPolarHBondContact O-CG 3.08Å; L487-L491 PolarHBondContact O-N 2.69Å
488I98.8Very high97.8Very high0 Ų021.4 Ų21.40%010%0.098CC..Hα-helixtrans-55.2-56.6173-73.4165.4000109.2V369 M380 M383 L384 I387 Q484 I485 M490 L491 E492V369-I488 HydrophobicContact CG1-CB 4.32Å; V369-I488 HydrophobicContact CG1-CG1 4.35Å; V369-I488 HydrophobicContact CG1-CG2 3.86Å; V369-I488 HydrophobicContact CG2-CG1 4.26Å; M380-I488 HydrophobicContact CE-CD1 4.49Å; M380-I488 HydrophobicContact CE-CG2 3.91Å; M380-I488 HydrophobicContact SD-CD1 3.65Å; M380-I488 HydrophobicContact SD-CG2 4.44Å; M383-I488 HydrophobicContact CE-CD1 4.43Å; M383-I488 HydrophobicContact CE-CG2 3.79Å; L384-I488 HydrophobicContact CD2-CD1 4.06Å; I387-I488 HydrophobicContact CD1-CD1 3.97Å; I387-I488 HydrophobicContact CD1-CG1 4.35Å; Q484-I488 WeakPolarHBondContact O-CG1 3.44Å; Q484-I488 PolarHBondContact O-N 3.25Å; I485-I488 PolarHBondContact O-N 3.29Å; I488-M490 PolarHBondContact O-N 3.13Å; I488-L491 PolarHBondContact O-N 3.19Å; I488-E492 WeakPolarHBondContact O-CG 3.31Å; I488-E492 PolarHBondContact O-N 3.44Å
489H98.7Very high96.8Very high14 Ų1426 Ų267%0.06512%0.119CC..Hα-helixtrans-58.3-44.7179.9-80.8-57.1000112.8D185 V192 I485 F486 E492 N493D185-H489 IonicContact OD1-CD2 2.73Å; D185-H489 IonicContact OD1-CE1 3.82Å; D185-H489 PolarHBondContact OD1-CE1 2.67Å; D185-H489 IonicContact OD1-NE2 3.66Å; D185-H489 PolarHBondContact OD1-NE2 3.18Å; V192-H489 HydrophobicContact CG2-CB 3.7Å; I485-H489 PolarHBondContact O-CD2 3.2Å; I485-H489 VanDerWaalsContact O-CD2 3.24Å; I485-H489 PolarHBondContact O-N 3.42Å; F486-H489 PolarHBondContact O-N 3.1Å; H489-E492 PolarHBondContact O-N 3.47Å; H489-N493 WeakPolarHBondContact O-CB 3.49Å; H489-N493 PolarHBondContact O-N 3.39Å; H489-N493 PolarHBondContact O-ND2 3.13Å
490M98.6Very high95.7Very high1 Ų134.2 Ų34.21%0.00515%0.148CC..Hα-helixtrans-65.1-42179.3-73.2-60.6-63.600112.7F191 F486 L487 I488 N493 F494 L522F191-M490 HydrophobicContact CD1-SD 3.93Å; F191-M490 HydrophobicContact CE1-SD 3.7Å; F486-M490 HydrophobicContact CD1-CG 3.93Å; F486-M490 HydrophobicContact CD2-CG 4.39Å; F486-M490 HydrophobicContact CE1-CG 3.5Å; F486-M490 VanDerWaalsContact CE1-CG 3.5Å; F486-M490 HydrophobicContact CE2-CG 4Å; F486-M490 HydrophobicContact CE2-SD 4.33Å; F486-M490 HydrophobicContact CG-CG 4.37Å; F486-M490 HydrophobicContact CZ-CG 3.52Å; F486-M490 HydrophobicContact CZ-SD 3.99Å; F486-M490 WeakPolarHBondContact O-CB 3.27Å; F486-M490 VanDerWaalsContact O-CG 3.25Å; F486-M490 WeakPolarHBondContact O-CG 3.41Å; F486-M490 PolarHBondContact O-N 3.39Å; L487-M490 PolarHBondContact O-N 3.24Å; I488-M490 PolarHBondContact O-N 3.13Å; M490-N493 PolarHBondContact O-N 2.81Å; M490-F494 HydrophobicContact CE-CD2 3.83Å; M490-F494 PolarHBondContact O-N 3.23Å; M490-F494 HydrophobicContact SD-CD2 3.83Å; M490-F494 HydrophobicContact SD-CE2 4.16Å; M490-L522 HydrophobicContact CE-CD1 3.96Å; M490-L522 HydrophobicContact CE-CD2 3.76Å
491L98.6Very high94.3Very high2 Ų239.5 Ų39.51%0.0118%0.177CC..Hα-helixtrans-70.7-31.6-178.8-73.2167.1000112.3L355 Q362 L365 R366 V369 V390 L487 I488L355-L491 HydrophobicContact CD1-CD2 4.34Å; Q362-L491 HydrophobicContact CG-CD2 4.01Å; L365-L491 HydrophobicContact CB-CD1 3.86Å; L365-L491 HydrophobicContact CB-CD2 4.31Å; R366-L491 PolarHBondContact NE-O 2.99Å; V369-L491 HydrophobicContact CG2-CB 4.44Å; V369-L491 HydrophobicContact CG2-CD1 3.9Å; V390-L491 HydrophobicContact CG2-CD1 4.25Å; L487-L491 VanDerWaalsContact O-CB 3.24Å; L487-L491 WeakPolarHBondContact O-CB 3.44Å; L487-L491 WeakPolarHBondContact O-CD1 3.44Å; L487-L491 WeakPolarHBondContact O-CG 3.08Å; L487-L491 PolarHBondContact O-N 2.69Å; I488-L491 PolarHBondContact O-N 3.19Å
492E98Very high93.4Very high55 Ų5542.6 Ų42.626%0.25720%0.196SC..Hα-helixtrans-73.6-27.1176.8-74.6175.4150.500113.7V369 R373 I488 H489 L525V369-E492 HydrophobicContact CG1-CG 3.6Å; R373-E492 IonicContact CZ-OE1 2.85Å; R373-E492 VanDerWaalsContact CZ-OE1 3.23Å; R373-E492 IonicContact CZ-OE2 2.96Å; R373-E492 IonicContact NE-OE1 2.81Å; R373-E492 PolarHBondContact NE-OE1 2.84Å; R373-E492 IonicContact NE-OE2 3.12Å; R373-E492 IonicContact NH2-OE1 3.8Å; R373-E492 PolarHBondContact NH2-OE1 3.43Å; R373-E492 IonicContact NH2-OE2 3.46Å; R373-E492 PolarHBondContact NH2-OE2 2.92Å; I488-E492 WeakPolarHBondContact O-CG 3.31Å; I488-E492 PolarHBondContact O-N 3.44Å; H489-E492 PolarHBondContact O-N 3.47Å; E492-L525 WeakPolarHBondContact O-CD1 3.23Å
493N98.4Very high92.8Very high46 Ų4648.3 Ų48.325%0.24622%0.222CC..Hα-helixtrans-109.8-29.5-170.6-71.2-84.1000113.3V192 H489 M490 P524 L525V192-N493 HydrophobicContact CG1-CB 3.94Å; V192-N493 VanDerWaalsContact CG1-CG 3.49Å; H489-N493 WeakPolarHBondContact O-CB 3.49Å; H489-N493 PolarHBondContact O-N 3.39Å; H489-N493 PolarHBondContact O-ND2 3.13Å; M490-N493 PolarHBondContact O-N 2.81Å; N493-P524 WeakPolarHBondContact O-CA 3.4Å; N493-L525 PolarHBondContact O-N 3.07Å
494F98.3Very high92.5Very high0 Ų048.8 Ų48.80%023%0.225CC..EExtended strand (participates in β ladder)trans-133.2146.4-168.8-50.6-68.6000114.1V192 V195 H196 I199 R366 M490 K523V192-F494 HydrophobicContact CB-CE2 4.32Å; V192-F494 HydrophobicContact CG1-CE2 4.04Å; V192-F494 HydrophobicContact CG1-CZ 4.03Å; V192-F494 HydrophobicContact CG2-CE2 4.13Å; V195-F494 HydrophobicContact CB-CE1 4.27Å; V195-F494 HydrophobicContact CB-CE2 3.91Å; V195-F494 HydrophobicContact CB-CZ 3.61Å; V195-F494 HydrophobicContact CG1-CD1 4.05Å; V195-F494 HydrophobicContact CG1-CD2 4.25Å; V195-F494 HydrophobicContact CG1-CE1 3.53Å; V195-F494 HydrophobicContact CG1-CE2 3.73Å; V195-F494 HydrophobicContact CG1-CG 4.4Å; V195-F494 HydrophobicContact CG1-CZ 3.35Å; V195-F494 HydrophobicContact CG2-CE2 4.48Å; H196-F494 AromaticContact CD2-CE1 3.99Å; H196-F494 AromaticContact CD2-CZ 3.61Å; H196-F494 AromaticContact CE1-CE1 3.51Å; H196-F494 AromaticContact CE1-CZ 3.89Å; H196-F494 AromaticContact ND1-CE1 3.81Å; H196-F494 AromaticContact NE2-CE1 3.61Å; H196-F494 AromaticContact NE2-CZ 3.49Å; H196-F494 WeakPolarHBondContact NE2-CZ 3.26Å; I199-F494 HydrophobicContact CD1-CD1 3.95Å; I199-F494 HydrophobicContact CD1-CE1 3.68Å; R366-F494 PolarHBondContact NH2-O 3.1Å; M490-F494 HydrophobicContact CE-CD2 3.83Å; M490-F494 PolarHBondContact O-N 3.23Å; M490-F494 HydrophobicContact SD-CD2 3.83Å; M490-F494 HydrophobicContact SD-CE2 4.16Å; F494-K523 CarbonylContact C-O 3.6Å; F494-K523 WeakPolarHBondContact CA-O 3.44Å
495R97.8Very high92.2Very high111 Ų11150.5 Ų50.542%0.41923%0.233SC..EExtended strand (participates in β ladder)trans-91.2130156.2-178.7172.4-75.5156.40.4108.9E363 E497 K523 L525E363-R495 IonicContact OE1-CZ 2.86Å; E363-R495 IonicContact OE1-NE 3.34Å; E363-R495 PolarHBondContact OE1-NE 3.12Å; E363-R495 IonicContact OE1-NH2 3.54Å; E363-R495 PolarHBondContact OE1-NH2 3.35Å; R495-E497 HydrophobicContact CG-CG 4.22Å; R495-K523 PolarHBondContact N-O 3.37Å; R495-K523 PolarHBondContact O-N 3.12Å; R495-L525 HydrophobicContact CB-CD2 4.02Å
496I97.1Very high92.1Very high4 Ų450.7 Ų50.72%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-104.3122.6-178.8-53139.8000108.6L352 L355 A356 Q362 L520 L522L352-I496 HydrophobicContact CD2-CD1 3.5Å; L352-I496 VanDerWaalsContact CD2-CD1 3.5Å; L352-I496 HydrophobicContact CD2-CG1 4.26Å; L355-I496 HydrophobicContact CD1-CD1 4.49Å; A356-I496 HydrophobicContact CB-CG2 4.06Å; Q362-I496 PolarHBondContact NE2-O 3.27Å; I496-L520 HydrophobicContact CG2-CB 4.48Å; I496-L520 HydrophobicContact CG2-CD1 4.2Å; I496-L522 HydrophobicContact CB-CD2 4.21Å; I496-L522 HydrophobicContact CG1-CD2 3.65Å; I496-L522 HydrophobicContact CG2-CD2 4.09Å
497E95.3Very high91.9Very high59 Ų5951.7 Ų51.728%0.27624%0.241SC..EExtended strand (participates in β ladder)trans-124.8147.4-178.1-62.9176.2176.500111R495 L520 T521 K523R495-E497 HydrophobicContact CG-CG 4.22Å; E497-L520 CarbonylContact O-C 3.59Å; E497-T521 PolarHBondContact N-O 2.92Å; E497-T521 PolarHBondContact O-N 2.83Å; E497-K523 IonicContact OE1-NZ 2.89Å; E497-K523 PolarHBondContact OE1-NZ 3.23Å; E497-K523 WeakPolarHBondContact OE2-CE 3.29Å; E497-K523 IonicContact OE2-NZ 3.39Å; E497-K523 PolarHBondContact OE2-NZ 3.46Å
498K87.8Confident91.6Very high86 Ų8652 Ų5237%0.37424%0.243SC..EExtended strand (participates in β ladder)trans-82.2139.5170.859.7-177.6170176.50110A356 R357 N501A356-K498 HydrophobicContact CB-CB 4.26Å; R357-K498 HydrophobicContact CG-CD 4.3Å; K498-N501 WeakPolarHBondContact CE-OD1 3.35Å; K498-N501 PolarHBondContact NZ-OD1 3.02Å
499Q78.4Confident91.2Very high105 Ų10553.4 Ų53.449%0.49125%0.249SC..SBendtrans-75.2-37.1174.7-166.8-170.332.900112.1T208 I519T208-Q499 HydrophobicContact CG2-CB 4.31Å; T208-Q499 HydrophobicContact CG2-CG 4.19Å; Q499-I519 HydrophobicContact CB-CG2 4.26Å
500R74Confident90.8Very high181 Ų18154.1 Ų54.168%0.68325%0.253SS*.SBendtrans-138.4154.6-176.1-61.9-176.7178.7-179.8-0.5110.7V502R500-V502 HydrophobicContact CB-CG2 3.88Å; R500-V502 PolarHBondContact O-N 3.38Å
501N70.3Confident90.6Very high139 Ų13954.8 Ų54.874%0.74326%0.257SS*.  trans-80.255.6168.5-72.5-23.1000110.9K498K498-N501 WeakPolarHBondContact CE-OD1 3.35Å; K498-N501 PolarHBondContact NZ-OD1 3.02Å
502V78.7Confident90.5Very high69 Ų6954.9 Ų54.942%0.41826%0.257SS..PPolyproline II helixtrans-96.1117173.11790000107.9R500 V504 K516R500-V502 HydrophobicContact CB-CG2 3.88Å; R500-V502 PolarHBondContact O-N 3.38Å; V502-V504 PolarHBondContact O-N 2.81Å; V502-K516 HydrophobicContact CG1-CD 4.06Å
503E86.4Confident90.3Very high122 Ų12253.5 Ų53.557%0.5725%0.252SS*.PPolyproline II helixtrans-71.6122.7172.9-169.9-179.4175.800109.7Q505 K516E503-Q505 VanDerWaalsContact CD-NE2 3.25Å; E503-Q505 PolarHBondContact OE1-NE2 3.06Å; E503-K516 WeakPolarHBondContact O-CE 3.45Å; E503-K516 PolarHBondContact O-NZ 3.2Å
504V92.4Very high90.2Very high12 Ų1252.4 Ų52.47%0.07325%0.247CC..PPolyproline II helixtrans-98.3133.1179-175.90000109.5W350 Y353 V502 P514 K516 I518W350-V504 HydrophobicContact CH2-CB 4.08Å; W350-V504 HydrophobicContact CH2-CG1 3.71Å; W350-V504 HydrophobicContact CZ2-CG1 4.47Å; W350-V504 HydrophobicContact CZ3-CB 4.2Å; W350-V504 HydrophobicContact CZ3-CG1 4.22Å; Y353-V504 HydrophobicContact CE2-CB 4.21Å; Y353-V504 HydrophobicContact CE2-CG2 3.95Å; Y353-V504 PolarHBondContact OH-N 2.71Å; Y353-V504 VanDerWaalsContact OH-N 3.16Å; V502-V504 PolarHBondContact O-N 2.81Å; V504-P514 HydrophobicContact CG1-CB 3.78Å; V504-K516 HydrophobicContact CG1-CG 4.11Å; V504-K516 HydrophobicContact CG2-CG 4.14Å; V504-I518 HydrophobicContact CB-CG1 4.28Å; V504-I518 HydrophobicContact CG1-CD1 4.12Å; V504-I518 HydrophobicContact CG1-CG1 3.91Å; V504-I518 HydrophobicContact CG2-CG1 3.99Å
505Q93.2Very high90Very high51 Ų5155.8 Ų55.824%0.23827%0.265CS..  trans-108.2172.4-176.6-62-70-4100110.2R89 E503 P514 D515R89-Q505 VanDerWaalsContact NH2-CB 3.33Å; E503-Q505 VanDerWaalsContact CD-NE2 3.25Å; E503-Q505 PolarHBondContact OE1-NE2 3.06Å; Q505-P514 CarbonylContact O-C 3.52Å; Q505-P514 WeakPolarHBondContact O-CA 3.45Å; Q505-D515 HydrophobicContact CB-CB 4.37Å; Q505-D515 PolarHBondContact N-OD1 3.24Å; Q505-D515 PolarHBondContact O-N 3.23Å
506S95.4Very high89.7Confident5 Ų554.1 Ų54.14%0.03526%0.261CS..EExtended strand (participates in β ladder)trans-92.3145.4175-48.20000111.8H88 L513H88-S506 PolarHBondContact CE1-O 3.13Å; H88-S506 PolarHBondContact NE2-O 2.91Å; S506-L513 CarbonylContact C-O 3.6Å; S506-L513 VanDerWaalsContact CA-O 3.27Å; S506-L513 WeakPolarHBondContact CA-O 3.3Å
507T95.2Very high89.4Confident22 Ų2257.9 Ų57.914%0.13529%0.285CS..EExtended strand (participates in β ladder)trans-123.8150164.7-174.30000109.1L512 L513T507-L512 WeakPolarHBondContact O-CA 3.34Å; T507-L513 HydrophobicContact CG2-CB 4.03Å; T507-L513 PolarHBondContact N-O 2.85Å; T507-L513 PolarHBondContact O-N 2.91Å
508F93.2Very high89.3Confident9 Ų955.3 Ų55.34%0.03927%0.273CS..EExtended strand (participates in β ladder)trans-100.9123.4179.1-179.9-109.4000111F84 R85 L87 L261 V405 L510 L512F84-F508 WeakPolarHBondContact O-CD1 3.35Å; R85-F508 WeakPolarHBondContact CA-O 3.27Å; R85-F508 WeakPolarHBondContact O-CB 3.22Å; R85-F508 PolarHBondContact O-N 3.36Å; L87-F508 HydrophobicContact CB-CB 4.4Å; L87-F508 HydrophobicContact CB-CD1 3.82Å; L87-F508 HydrophobicContact CB-CE1 4.23Å; L87-F508 HydrophobicContact CB-CG 4.05Å; L87-F508 HydrophobicContact CD2-CD1 4.08Å; L87-F508 HydrophobicContact CD2-CD2 4.48Å; L87-F508 HydrophobicContact CD2-CE1 3.64Å; L87-F508 HydrophobicContact CD2-CE2 4.04Å; L87-F508 HydrophobicContact CD2-CG 4.49Å; L87-F508 HydrophobicContact CD2-CZ 3.6Å; L261-F508 HydrophobicContact CD1-CE1 4.42Å; L261-F508 HydrophobicContact CD1-CZ 4.42Å; V405-F508 HydrophobicContact CG2-CD2 3.4Å; V405-F508 VanDerWaalsContact CG2-CD2 3.4Å; V405-F508 HydrophobicContact CG2-CE2 3.6Å; V405-F508 HydrophobicContact CG2-CG 4.38Å; F508-L510 WeakPolarHBondContact CE2-O 3.44Å; F508-L512 HydrophobicContact CB-CD2 4.02Å; F508-L512 HydrophobicContact CD2-CD2 4.12Å
509E90.4Very high89.6Confident28 Ų2854.1 Ų54.113%0.13127%0.27CS..SBendtrans-136.763.4170.1-62.8-166.616300108.1R85 K255 I511 L513R85-E509 IonicContact NH2-OE1 2.83Å; K255-E509 WeakPolarHBondContact CE-OE2 3.36Å; K255-E509 WeakPolarHBondContact CG-OE2 3.43Å; E509-I511 PolarHBondContact N-O 2.74Å; E509-I511 PolarHBondContact O-N 2.99Å; E509-L513 HydrophobicContact CB-CD1 4.05Å; E509-L513 HydrophobicContact CG-CD1 4.34Å
510L90.5Very high90.4Very high30 Ų3049.1 Ų49.116%0.15725%0.247CC..SBendtrans68.3-38-165.2-171.768.6000114.6W139 F254 T257 L261 F508W139-L510 HydrophobicContact CH2-CD2 3.82Å; W139-L510 HydrophobicContact CZ2-CD2 3.31Å; F254-L510 HydrophobicContact CD1-CB 4.02Å; F254-L510 HydrophobicContact CD1-CD2 3.54Å; F254-L510 HydrophobicContact CD1-CG 4.15Å; F254-L510 HydrophobicContact CE1-CD2 3.86Å; T257-L510 HydrophobicContact CG2-CD1 4.2Å; T257-L510 HydrophobicContact CG2-CD2 3.64Å; T257-L510 HydrophobicContact CG2-CG 4.44Å; L261-L510 HydrophobicContact CD1-CD1 3.85Å; L261-L510 HydrophobicContact CD2-CD1 4.17Å; L261-L510 HydrophobicContact CG-CD1 4.4Å; F508-L510 WeakPolarHBondContact CE2-O 3.44Å
511I93.6Very high91.4Very high15 Ų1541 Ų418%0.07722%0.217CC..SBendtrans-113.6161.6166.359.2174.5000109.7F254 D342 V403 E509 L513F254-I511 HydrophobicContact CD1-CG2 4.44Å; F254-I511 HydrophobicContact CD2-CD1 4.37Å; F254-I511 HydrophobicContact CE1-CG2 4.04Å; F254-I511 HydrophobicContact CE2-CD1 4.29Å; F254-I511 HydrophobicContact CZ-CD1 4.43Å; F254-I511 HydrophobicContact CZ-CG2 4.5Å; D342-I511 HydrophobicContact CB-CD1 3.71Å; V403-I511 HydrophobicContact CG1-CB 4.03Å; V403-I511 HydrophobicContact CG1-CG2 3.8Å; V403-I511 WeakPolarHBondContact O-CA 3.47Å; E509-I511 PolarHBondContact N-O 2.74Å; E509-I511 PolarHBondContact O-N 2.99Å; I511-L513 HydrophobicContact CD1-CD2 3.8Å; I511-L513 HydrophobicContact CG1-CD2 3.92Å; I511-L513 HydrophobicContact CG1-CG 4.18Å
512L95.9Very high92.7Very high3 Ų334.4 Ų34.42%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-81.9128.7172.1-68.5-176.5000111.2H88 P402 V403 V405 Y433 T507 F508H88-L512 HydrophobicContact CB-CD1 4.19Å; H88-L512 HydrophobicContact CB-CD2 3.95Å; H88-L512 VanDerWaalsContact ND1-CD2 3.33Å; H88-L512 WeakPolarHBondContact ND1-CD2 3.37Å; P402-L512 HydrophobicContact CG-CD1 4.18Å; P402-L512 WeakPolarHBondContact O-CB 3.36Å; P402-L512 WeakPolarHBondContact O-CD1 3.49Å; V403-L512 PolarHBondContact O-N 2.77Å; V405-L512 HydrophobicContact CG2-CD1 4.06Å; V405-L512 HydrophobicContact CG2-CD2 3.68Å; V405-L512 HydrophobicContact CG2-CG 3.7Å; Y433-L512 HydrophobicContact CD2-CD1 3.49Å; Y433-L512 VanDerWaalsContact CD2-CD1 3.49Å; Y433-L512 HydrophobicContact CE2-CD1 4.17Å; Y433-L512 HydrophobicContact CG-CD1 4.23Å; T507-L512 WeakPolarHBondContact O-CA 3.34Å; F508-L512 HydrophobicContact CB-CD2 4.02Å; F508-L512 HydrophobicContact CD2-CD2 4.12Å
513L94.9Very high93.6Very high27 Ų2734.5 Ų34.514%0.14118%0.177CC..EExtended strand (participates in β ladder)trans-124.8159.5-179.6-59.1176.7000109.8I346 S506 T507 E509 I511I346-L513 HydrophobicContact CD1-CD2 3.86Å; I346-L513 HydrophobicContact CG1-CD2 3.65Å; I346-L513 HydrophobicContact CG2-CD2 4.34Å; S506-L513 CarbonylContact C-O 3.6Å; S506-L513 VanDerWaalsContact CA-O 3.27Å; S506-L513 WeakPolarHBondContact CA-O 3.3Å; T507-L513 HydrophobicContact CG2-CB 4.03Å; T507-L513 PolarHBondContact N-O 2.85Å; T507-L513 PolarHBondContact O-N 2.91Å; E509-L513 HydrophobicContact CB-CD1 4.05Å; E509-L513 HydrophobicContact CG-CD1 4.34Å; I511-L513 HydrophobicContact CD1-CD2 3.8Å; I511-L513 HydrophobicContact CG1-CD2 3.92Å; I511-L513 HydrophobicContact CG1-CG 4.18Å
514P95.1Very high94.1Very high22 Ų2230 Ų3014%0.14316%0.159CC..EExtended strand (participates in β ladder)trans-57.6137.9163.1-21.633.2000111.8L349 W350 V504 Q505 K516 I518L349-P514 HydrophobicContact CD2-CG 4.02Å; W350-P514 HydrophobicContact CH2-CB 4.48Å; W350-P514 HydrophobicContact CZ2-CB 4Å; W350-P514 HydrophobicContact CZ2-CG 3.87Å; V504-P514 HydrophobicContact CG1-CB 3.78Å; Q505-P514 CarbonylContact O-C 3.52Å; Q505-P514 WeakPolarHBondContact O-CA 3.45Å; P514-K516 WeakPolarHBondContact CB-O 3.32Å; P514-K516 PolarHBondContact O-N 3.47Å; P514-I518 HydrophobicContact CB-CD1 3.95Å; P514-I518 HydrophobicContact CB-CG1 4.33Å; P514-I518 HydrophobicContact CG-CD1 3.72Å
515D93.9Very high94.1Very high72 Ų7231.8 Ų31.839%0.38517%0.167SC..SBendtrans-73.8-16.1177.974.8-34.9000113.3Q505Q505-D515 HydrophobicContact CB-CB 4.37Å; Q505-D515 PolarHBondContact N-OD1 3.24Å; Q505-D515 PolarHBondContact O-N 3.23Å
516K92Very high93.3Very high76 Ų7638.2 Ų38.233%0.3320%0.198SC..SBendtrans-152.1161.9178.263.7-160.7148.4-165.30111.3V502 E503 V504 P514V502-K516 HydrophobicContact CG1-CD 4.06Å; E503-K516 WeakPolarHBondContact O-CE 3.45Å; E503-K516 PolarHBondContact O-NZ 3.2Å; V504-K516 HydrophobicContact CG1-CG 4.11Å; V504-K516 HydrophobicContact CG2-CG 4.14Å; P514-K516 WeakPolarHBondContact CB-O 3.32Å; P514-K516 PolarHBondContact O-N 3.47Å
517P91.9Very high91.4Very high83 Ų8344.1 Ų44.154%0.53923%0.233SC..  trans-54.2137.5177.6-29.737.9000113.5D210 I519D210-P517 WeakPolarHBondContact OD2-CB 3.34Å; P517-I519 HydrophobicContact CB-CD1 4.12Å
518I92Very high88.7Confident4 Ų448.4 Ų48.42%0.02126%0.264CS..  trans-99.6103.1174.4-68.1170.5000107.9L349 W350 Y353 V504 P514 L520L349-I518 HydrophobicContact CD1-CB 4.05Å; L349-I518 HydrophobicContact CD1-CG2 4.09Å; L349-I518 HydrophobicContact CD2-CB 4.37Å; L349-I518 HydrophobicContact CD2-CD1 3.99Å; L349-I518 HydrophobicContact CG-CB 4.25Å; L349-I518 HydrophobicContact CG-CD1 3.84Å; W350-I518 HydrophobicContact CD2-CD1 4.48Å; W350-I518 HydrophobicContact CE3-CD1 4.2Å; W350-I518 HydrophobicContact CZ3-CD1 4.25Å; Y353-I518 HydrophobicContact CD2-CD1 4.47Å; Y353-I518 HydrophobicContact CD2-CG1 4.47Å; Y353-I518 HydrophobicContact CD2-CG2 3.96Å; Y353-I518 HydrophobicContact CG-CD1 4.38Å; Y353-I518 HydrophobicContact CG-CG2 4.42Å; V504-I518 HydrophobicContact CB-CG1 4.28Å; V504-I518 HydrophobicContact CG1-CD1 4.12Å; V504-I518 HydrophobicContact CG1-CG1 3.91Å; V504-I518 HydrophobicContact CG2-CG1 3.99Å; P514-I518 HydrophobicContact CB-CD1 3.95Å; P514-I518 HydrophobicContact CB-CG1 4.33Å; P514-I518 HydrophobicContact CG-CD1 3.72Å; I518-L520 HydrophobicContact CG2-CD1 4.06Å; I518-L520 HydrophobicContact CG2-CD2 4.09Å; I518-L520 HydrophobicContact CG2-CG 3.86Å
519I93.8Very high85.6Confident61 Ų6160.3 Ų60.331%0.31332%0.32SS..EExtended strand (participates in β ladder)trans-91.7114.7179.8-49.5-57.3000110.2T208 T209 D210 Q499 P517T208-I519 HydrophobicContact CG2-CG2 3.67Å; T209-I519 WeakPolarHBondContact O-CA 3.46Å; D210-I519 HydrophobicContact CB-CD1 3.66Å; Q499-I519 HydrophobicContact CB-CG2 4.26Å; P517-I519 HydrophobicContact CB-CD1 4.12Å
520L95.3Very high85.4Confident1 Ų162 Ų621%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-116.8154.3-178.8-62.4174.7000110.8T208 T209 L211 L352 A356 I496 E497 I518T208-L520 VanDerWaalsContact CA-O 3.28Å; T208-L520 WeakPolarHBondContact CA-O 3.49Å; T209-L520 PolarHBondContact N-O 3.41Å; T209-L520 PolarHBondContact O-N 3.47Å; L211-L520 HydrophobicContact CD1-CB 4.14Å; L211-L520 HydrophobicContact CD1-CD1 4.02Å; L352-L520 HydrophobicContact CB-CD1 3.67Å; A356-L520 HydrophobicContact CB-CD2 3.8Å; I496-L520 HydrophobicContact CG2-CB 4.48Å; I496-L520 HydrophobicContact CG2-CD1 4.2Å; E497-L520 CarbonylContact O-C 3.59Å; I518-L520 HydrophobicContact CG2-CD1 4.06Å; I518-L520 HydrophobicContact CG2-CD2 4.09Å; I518-L520 HydrophobicContact CG2-CG 3.86Å
521T96.2Very high85.1Confident9 Ų963.6 Ų63.66%0.05534%0.338CS..EExtended strand (participates in β ladder)trans-113.8122.4173.5-590000109.1K206 W207 T208 E497 K523K206-T521 HydrophobicContact CB-CG2 4.01Å; K206-T521 HydrophobicContact CD-CG2 4.23Å; K206-T521 HydrophobicContact CG-CG2 4.41Å; W207-T521 CarbonylContact O-C 3.3Å; W207-T521 WeakPolarHBondContact O-CA 3.38Å; T208-T521 WeakPolarHBondContact CG2-OG1 3.48Å; T208-T521 WeakPolarHBondContact OG1-CG2 3.43Å; T208-T521 PolarHBondContact OG1-OG1 3.45Å; E497-T521 PolarHBondContact N-O 2.92Å; E497-T521 PolarHBondContact O-N 2.83Å; T521-K523 HydrophobicContact CG2-CG 4.37Å
522L97.1Very high84.7Confident1 Ų166.3 Ų66.31%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-100.3127173.2-58.7178.4000108.9V195 K206 W207 L211 M490 I496V195-L522 HydrophobicContact CG1-CB 4.25Å; V195-L522 HydrophobicContact CG1-CD1 3.62Å; V195-L522 HydrophobicContact CG2-CD1 4.1Å; K206-L522 CarbonylContact C-O 3.58Å; K206-L522 VanDerWaalsContact CA-O 3.3Å; K206-L522 WeakPolarHBondContact CA-O 3.4Å; W207-L522 HydrophobicContact CE3-CD1 4.05Å; W207-L522 HydrophobicContact CZ3-CD1 4.25Å; W207-L522 PolarHBondContact N-O 3.47Å; W207-L522 PolarHBondContact O-N 3.21Å; L211-L522 HydrophobicContact CD1-CD1 4.08Å; L211-L522 HydrophobicContact CD1-CD2 4.36Å; L211-L522 HydrophobicContact CD1-CG 4.35Å; L211-L522 HydrophobicContact CD2-CD1 4.1Å; M490-L522 HydrophobicContact CE-CD1 3.96Å; M490-L522 HydrophobicContact CE-CD2 3.76Å; I496-L522 HydrophobicContact CB-CD2 4.21Å; I496-L522 HydrophobicContact CG1-CD2 3.65Å; I496-L522 HydrophobicContact CG2-CD2 4.09Å
523K96.6Very high84Confident71 Ų7170.1 Ų70.131%0.30937%0.372SS..EExtended strand (participates in β ladder)trans-118.7136173-70.2178.8-178.4164.50109.1K206 F494 R495 E497 T521K206-K523 HydrophobicContact CB-CG 3.84Å; F494-K523 CarbonylContact C-O 3.6Å; F494-K523 WeakPolarHBondContact CA-O 3.44Å; R495-K523 PolarHBondContact N-O 3.37Å; R495-K523 PolarHBondContact O-N 3.12Å; E497-K523 IonicContact OE1-NZ 2.89Å; E497-K523 PolarHBondContact OE1-NZ 3.23Å; E497-K523 WeakPolarHBondContact OE2-CE 3.29Å; E497-K523 IonicContact OE2-NZ 3.39Å; E497-K523 PolarHBondContact OE2-NZ 3.46Å; T521-K523 HydrophobicContact CG2-CG 4.37Å
524P96.8Very high83.3Confident28 Ų2872.8 Ų72.818%0.18239%0.387CS..EExtended strand (participates in β ladder)trans-63.2142.617328.9-28.8000109.2I199 N205 N493I199-P524 HydrophobicContact CG2-CG 4.42Å; N205-P524 VanDerWaalsContact O-CD 3.27Å; N205-P524 WeakPolarHBondContact O-CD 3.22Å; N205-P524 WeakPolarHBondContact OD1-CG 3.48Å; N493-P524 WeakPolarHBondContact O-CA 3.4Å
525L94.3Very high82.5Confident49 Ų4976.1 Ų76.126%0.25740%0.403SS..PPolyproline II helixtrans-64.5141170-62.5-178.9000109.1E492 N493 R495 V527E492-L525 WeakPolarHBondContact O-CD1 3.23Å; N493-L525 PolarHBondContact O-N 3.07Å; R495-L525 HydrophobicContact CB-CD2 4.02Å; L525-V527 PolarHBondContact O-N 3.3Å
526Q75.9Confident81.7Confident187 Ų18776.4 Ų76.487%0.87440%0.404SS*.PPolyproline II helixtrans-68.9120.8170.6-71.3-179-23.100107.3S528Q526-S528 PolarHBondContact O-N 3.45Å
527V55.8Low80.9Confident129 Ų12976.5 Ų76.578%0.78241%0.41SS*.  trans-61.9110.6166.5-1750000105.4L525 Q529L525-V527 PolarHBondContact O-N 3.3Å; V527-Q529 VanDerWaalsContact C-N 3.34Å; V527-Q529 PolarHBondContact O-N 3.5Å
528S38.5Very low80Confident111 Ų11175.9 Ų75.978%0.77640%0.399SS*.  trans-59.9105.4164.546.40000106Q526Q526-S528 PolarHBondContact O-N 3.45Å
529Q27.9Very low78.9Confident260 Ų26082.5 Ų82.5100%1.21543%0.434SS*.  trans-58.20173.2-77.7-173.5-24.300111V527V527-Q529 VanDerWaalsContact C-N 3.34Å; V527-Q529 PolarHBondContact O-N 3.5Å

Retrieved 529 of 529 residues in 912.1 ms (Link to these results)

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