A0A5K4FE33_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FE33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 437 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
1M37.9Very low28.1Very low246 Ų246146.5 Ų146.5100%1.21281%0.811SS**  0120.10-74172.5166.300107.3S3M1-S3 PolarHBondContact O-N 2.81Å
2I30.5Very low27.6Very low171 Ų171148.8 Ų148.888%0.87781%0.807SS**  trans-69.1126.6177.3-63.7168.5000108.1
3S29.9Very low27.2Very low114 Ų114151.2 Ų151.280%0.79781%0.813SS**  trans-147.5100159.2179.90000108.6M1 G5M1-S3 PolarHBondContact O-N 2.81Å; S3-G5 PolarHBondContact O-N 3.45Å
4S31Very low27.2Very low91 Ų91149.2 Ų149.264%0.63681%0.809SS**  trans-74.1104.5168.247.80000109.1F6S4-F6 PolarHBondContact O-N 3.34Å
5G27.9Very low27Very low70 Ų70149.8 Ų149.872%0.72281%0.812SS**  trans-82.280.4170.800000111.2S3 F7S3-G5 PolarHBondContact O-N 3.45Å; G5-F7 PolarHBondContact O-N 2.98Å
6F28.1Very low26.8Very low189 Ų189144.7 Ų144.783%0.82981%0.805SS**  trans-72.9114.9160.4-89.8-90.3000108.4S4 S8S4-F6 PolarHBondContact O-N 3.34Å; F6-S8 PolarHBondContact O-N 2.95Å; F6-S8 VanDerWaalsContact O-N 3.15Å
7F28.1Very low26.7Very low211 Ų211144.1 Ų144.193%0.92581%0.806SS**  trans-71.2105.3166.9-105.1-91000109G5 I9G5-F7 PolarHBondContact O-N 2.98Å; F7-I9 PolarHBondContact O-N 3.45Å
8S22.9Very low26.8Very low103 Ų103144.8 Ų144.872%0.7281%0.807SS**  trans-60.1112.7165.1-76.20000111F6F6-S8 PolarHBondContact O-N 2.95Å; F6-S8 VanDerWaalsContact O-N 3.15Å
9I28.8Very low26.7Very low173 Ų173147.4 Ų147.489%0.88781%0.812SS**  trans-111.896.5139.9-66.8173.2000104.6F7F7-I9 PolarHBondContact O-N 3.45Å
10S20.7Very low26.8Very low82 Ų82149.1 Ų149.157%0.57381%0.811SS**  trans-97.9148.8178.8-167.60000109.6
11H23Very low26.8Very low161 Ų161146.8 Ų146.875%0.74581%0.806SS**  trans72.4129.3172.4-66.5-54.4000116.7
12K22.2Very low26.1Very low174 Ų174142.8 Ų142.876%0.75779%0.788SS**  cis-159131.120.1-126166.5-176.3177.70108.5T14K12-T14 PolarHBondContact O-N 3.49Å
13M22.4Very low25.9Very low180 Ų180143.1 Ų143.189%0.88778%0.784SS**  trans-58.1118154.7-66.9-98.3-159.900108.4
14T27.2Very low25.8Very low124 Ų124145.4 Ų145.476%0.76178%0.782SS**  trans-128.2102.8151500000107.3K12K12-T14 PolarHBondContact O-N 3.49Å
15N24.8Very low25.7Very low158 Ų158146.6 Ų146.685%0.84579%0.787SS**  trans-58.6136.5166.2-79.7-23.4000109.9
16G23.6Very low25.7Very low68 Ų68150.4 Ų150.470%0.70179%0.789SS**  trans111.698.2163.900000113.5
17T25.6Very low25.7Very low134 Ų134148 Ų14882%0.82278%0.783SS**  178.9139.1112.2-610000108.9
18L27.3Very low25.7Very low157 Ų157144.5 Ų144.582%0.82278%0.775SS**  trans93.546171.8-75.1135.4000118.9
19E24.7Very low26Very low195 Ų195146.9 Ų146.991%0.91178%0.777SS**  -98105.2122.2-80.1-165.8162.800108.2
20K29.8Very low26.1Very low181 Ų181146.5 Ų146.579%0.78777%0.772SS**  trans-136.790.6157.3-85.3-173.1-179168.20108.8
21S25.8Very low26.5Very low100 Ų100149.5 Ų149.570%0.69978%0.782SS**  trans-30.5137.6142.9510000113.4
22L24Very low26.9Very low162 Ų162151 Ų15185%0.84879%0.789SS**  trans29.195.6142.7-93.2147.7000115.7
23K25.9Very low27.3Very low179 Ų179151.3 Ų151.378%0.77879%0.793SS**  trans-123.5111.2148.2-75.3-166.7176.4-168.20108.8
24Q27.3Very low27.9Very low162 Ų162149.7 Ų149.776%0.75779%0.788SS**  trans-45.7146161.6-69.7168.7-28.600109.9I26Q24-I26 PolarHBondContact O-N 3.39Å; Q24-I26 VanDerWaalsContact O-N 3.15Å
25P30.1Very low28.5Very low115 Ų115153.6 Ų153.675%0.74779%0.794SS**  trans-62.1119.6-178.325.3-32.2000109.4I27P25-I27 VanDerWaalsContact C-N 3.32Å; P25-I27 PolarHBondContact O-N 2.65Å
26I27Very low29.3Very low150 Ų150151.5 Ų151.577%0.76979%0.787SS**  trans-63.9101.7163.4-64.4167.9000105.1Q24 N28Q24-I26 PolarHBondContact O-N 3.39Å; Q24-I26 VanDerWaalsContact O-N 3.15Å; I26-N28 PolarHBondContact O-N 3.11Å
27I29.3Very low30.2Very low138 Ų138154.8 Ų154.871%0.70879%0.789SS**  trans-60.8117.9164.8-65.8168000105.4P25 I29P25-I27 VanDerWaalsContact C-N 3.32Å; P25-I27 PolarHBondContact O-N 2.65Å; I27-I29 PolarHBondContact O-N 3.24Å
28N26.9Very low31.3Very low139 Ų139155.3 Ų155.374%0.74379%0.785SS**  trans-57.8105.3166.6-99.7-8.4000107.8I26 E30I26-N28 PolarHBondContact O-N 3.11Å; N28-E30 VanDerWaalsContact C-N 3.26Å; N28-E30 PolarHBondContact O-N 2.92Å
29I30.4Very low31.9Very low152 Ų152149.8 Ų149.878%0.77977%0.766SS**  trans-83.683.1164.2-59.3169.7000104.9I27I27-I29 PolarHBondContact O-N 3.24Å
30E29.3Very low33.3Very low166 Ų166144.8 Ų144.878%0.77675%0.745SS**  trans-76.7128.4156.3-90.3-177.7165.800107.9N28 H32N28-E30 VanDerWaalsContact C-N 3.26Å; N28-E30 PolarHBondContact O-N 2.92Å; E30-H32 PolarHBondContact O-N 3.46Å
31N30.6Very low34.4Very low145 Ų145141.8 Ų141.878%0.77574%0.737SS**  trans-45.2111.3-175.2-62.1-41.1000113.6
32H30.2Very low36.1Very low192 Ų192142.2 Ų142.289%0.88973%0.731SS**  trans-126.5103.7150.3-83.5-56.9000109.3E30E30-H32 PolarHBondContact O-N 3.46Å
33E31.6Very low37.8Very low180 Ų180140.2 Ų140.284%0.84172%0.718SS**  trans-56.6131.2173.5-64.7174.6148.900111.4
34N35.3Very low39.6Very low147 Ų147136.1 Ų136.179%0.78670%0.704SS**SBendtrans47.795.1148-62.2-20.3000118.5
35K40.2Very low41.3Very low206 Ų206130.1 Ų130.190%0.89669%0.685SS**  trans-170.816.7144.1-106.1161.1-165.3-177.10117.8
36T39.9Very low43Very low114 Ų114133.6 Ų133.670%0.69968%0.683SS**  trans-111.27.7-169.2420000117.7I38 G39T36-I38 VanDerWaalsContact C-N 3.26Å; T36-I38 PolarHBondContact O-N 3.03Å; T36-G39 PolarHBondContact O-N 3.44Å
37D44.1Very low44.4Very low137 Ų137134.4 Ų134.473%0.73368%0.677SS**Hα-helixtrans-70.5-19.3179.4-71-21.7000114.1
38I47.4Very low46.1Very low145 Ų145131.2 Ų131.274%0.74466%0.663SS**Hα-helixtrans-76.7-29.7179.3-57.7172.1000111.3T36T36-I38 VanDerWaalsContact C-N 3.26Å; T36-I38 PolarHBondContact O-N 3.03Å
39G41Very low47.9Very low41 Ų41132.4 Ų132.442%0.42366%0.662SS.*Hα-helixtrans-76.3-29.9-17500000114.8T36 N41 D42 E43T36-G39 PolarHBondContact O-N 3.44Å; G39-N41 PolarHBondContact O-N 3.33Å; G39-D42 PolarHBondContact O-N 3.1Å; G39-E43 PolarHBondContact O-N 3.15Å
40I52.8Low49.4Very low90 Ų90130.1 Ų130.146%0.46265%0.651SS.*Hα-helixtrans-69.2-37.7-174.7-61.5171.4000111.1E43 I44I40-E43 PolarHBondContact O-N 3.44Å; I40-I44 HydrophobicContact CG2-CD1 3.89Å; I40-I44 HydrophobicContact CG2-CG1 4.49Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.39Å; I40-I44 PolarHBondContact O-N 3.43Å
41N52.7Low50.5Low117 Ų117127.7 Ų127.763%0.62664%0.643SS**Hα-helixtrans-69.1-35.5-179.9-78-29.3000112.9G39 G45G39-N41 PolarHBondContact O-N 3.33Å; N41-G45 PolarHBondContact O-N 2.87Å
42D62.4Low51.7Low109 Ų109125.4 Ų125.458%0.58363%0.63SS**Hα-helixtrans-68.7-36.6175.4-87.3-9000112G39 G45 R46G39-D42 PolarHBondContact O-N 3.1Å; D42-G45 PolarHBondContact O-N 3.49Å; D42-R46 WeakPolarHBondContact O-CG 3.41Å; D42-R46 PolarHBondContact O-N 3.27Å
43E58.8Low53Low121 Ų121121.3 Ų121.357%0.56561%0.611SS**Hα-helixtrans-66.1-46.3174.4-74.2-170.817000111.8G39 I40 G45 R46 W47G39-E43 PolarHBondContact O-N 3.15Å; I40-E43 PolarHBondContact O-N 3.44Å; E43-G45 VanDerWaalsContact C-N 3.29Å; E43-G45 PolarHBondContact O-N 3.34Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 VanDerWaalsContact O-N 3.13Å; E43-W47 PolarHBondContact O-N 3.34Å
44I65.6Low53.7Low93 Ų93117 Ų11748%0.47759%0.594SS.*Hα-helixtrans-59-42.6176.6-66.2166.2000110.5I40 R46 W47 T48I40-I44 HydrophobicContact CG2-CD1 3.89Å; I40-I44 HydrophobicContact CG2-CG1 4.49Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.39Å; I40-I44 PolarHBondContact O-N 3.43Å; I44-R46 PolarHBondContact O-N 3.21Å; I44-W47 PolarHBondContact O-N 2.92Å; I44-T48 WeakPolarHBondContact O-CB 3.43Å; I44-T48 PolarHBondContact O-N 2.87Å; I44-T48 PolarHBondContact O-OG1 3.35Å
45G62.9Low54.3Low35 Ų35112.8 Ų112.836%0.36157%0.573SS.*Hα-helixtrans-60.5-41.6175.400000113.3N41 D42 E43 K49N41-G45 PolarHBondContact O-N 2.87Å; D42-G45 PolarHBondContact O-N 3.49Å; E43-G45 VanDerWaalsContact C-N 3.29Å; E43-G45 PolarHBondContact O-N 3.34Å; G45-K49 PolarHBondContact O-N 2.9Å
46R64.8Low54.6Low189 Ų189107.6 Ų107.671%0.71356%0.556SS**Hα-helixtrans-66.7-46.3175.9-74.1-178.2-163.8-144.55.3112.2D42 E43 I44 T48 K49 L50D42-R46 WeakPolarHBondContact O-CG 3.41Å; D42-R46 PolarHBondContact O-N 3.27Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 VanDerWaalsContact O-N 3.13Å; I44-R46 PolarHBondContact O-N 3.21Å; R46-T48 VanDerWaalsContact C-N 3.3Å; R46-T48 PolarHBondContact O-N 3.45Å; R46-K49 PolarHBondContact O-N 2.9Å; R46-L50 PolarHBondContact O-N 3.28Å
47W56Low54.8Low167 Ų167108.3 Ų108.363%0.63355%0.549SS*.Hα-helixtrans-60.5-40.5178.5-75.8114000111.9E43 I44 L50 L51E43-W47 PolarHBondContact O-N 3.34Å; I44-W47 PolarHBondContact O-N 2.92Å; W47-L50 PolarHBondContact O-N 3.4Å; W47-L51 WeakPolarHBondContact O-CB 3.37Å; W47-L51 PolarHBondContact O-N 3.48Å
48T64.7Low54.9Low70 Ų70106.1 Ų106.143%0.42954%0.535SS..Hα-helixtrans-67.1-41.1179.1-46.50000112.1I44 R46 L51 N52I44-T48 WeakPolarHBondContact O-CB 3.43Å; I44-T48 PolarHBondContact O-N 2.87Å; I44-T48 PolarHBondContact O-OG1 3.35Å; R46-T48 VanDerWaalsContact C-N 3.3Å; R46-T48 PolarHBondContact O-N 3.45Å; T48-L51 PolarHBondContact O-N 3.42Å; T48-N52 PolarHBondContact O-N 2.83Å
49K64.9Low54.7Low165 Ų165105.3 Ų105.372%0.71753%0.527SS*.Hα-helixtrans-63.9-39.8173.7-78.2179.8-1791740112.1G45 R46 N52 H53G45-K49 PolarHBondContact O-N 2.9Å; R46-K49 PolarHBondContact O-N 2.9Å; K49-N52 PolarHBondContact O-N 2.92Å; K49-H53 WeakPolarHBondContact O-CB 3.34Å; K49-H53 PolarHBondContact O-N 3.21Å
50L62.3Low54.5Low103 Ų103113.2 Ų113.254%0.53954%0.544SS..Hα-helixtrans-65-42.7178.4-145.3105.7000111.4R46 W47 H53 N54R46-L50 PolarHBondContact O-N 3.28Å; W47-L50 PolarHBondContact O-N 3.4Å; L50-H53 PolarHBondContact O-N 2.92Å; L50-N54 WeakPolarHBondContact O-CB 3.42Å; L50-N54 PolarHBondContact O-N 3.05Å; L50-N54 PolarHBondContact O-ND2 3.24Å
51L53.3Low53.9Low115 Ų115111.2 Ų111.260%0.60254%0.538SS*.Hα-helixtrans-60.2-49.5174.6-110.8140.5000111.6W47 T48 H53 N54 V55W47-L51 WeakPolarHBondContact O-CB 3.37Å; W47-L51 PolarHBondContact O-N 3.48Å; T48-L51 PolarHBondContact O-N 3.42Å; L51-H53 PolarHBondContact O-N 3.44Å; L51-N54 PolarHBondContact O-N 3.48Å; L51-V55 WeakPolarHBondContact O-CG2 3.5Å; L51-V55 PolarHBondContact O-N 3.08Å
52N55.9Low53.2Low97 Ų97108.3 Ų108.352%0.51952%0.52SS..Hα-helixtrans-65.4-36.8179.5-78.2-26.2000113T48 K49 V55 N56T48-N52 PolarHBondContact O-N 2.83Å; K49-N52 PolarHBondContact O-N 2.92Å; N52-V55 PolarHBondContact O-N 2.68Å; N52-N56 PolarHBondContact O-N 2.81Å
53H55.8Low51.8Low106 Ų106109.8 Ų109.849%0.49153%0.528SS..Hα-helixtrans-64.5-40.6174.5-172.777.2000111.8K49 L50 L51 N56 K57K49-H53 WeakPolarHBondContact O-CB 3.34Å; K49-H53 PolarHBondContact O-N 3.21Å; L50-H53 PolarHBondContact O-N 2.92Å; L51-H53 PolarHBondContact O-N 3.44Å; H53-N56 PolarHBondContact O-N 3.1Å; H53-K57 WeakPolarHBondContact NE2-CE 3.33Å; H53-K57 PolarHBondContact NE2-NZ 3.43Å; H53-K57 PolarHBondContact O-N 2.77Å
54N48.3Very low50.6Low91 Ų91107.8 Ų107.849%0.48753%0.527SS..Hα-helixtrans-66.5-42176.5-78.7-23.5000112.2L50 L51 N56 K57 M58L50-N54 WeakPolarHBondContact O-CB 3.42Å; L50-N54 PolarHBondContact O-N 3.05Å; L50-N54 PolarHBondContact O-ND2 3.24Å; L51-N54 PolarHBondContact O-N 3.48Å; N54-N56 PolarHBondContact O-N 3.36Å; N54-K57 PolarHBondContact O-N 3.21Å; N54-M58 WeakPolarHBondContact O-CB 3.45Å; N54-M58 PolarHBondContact O-N 3.5Å
55V47.9Very low49.2Very low57 Ų57106.2 Ų106.235%0.34552%0.522SS..Hα-helixtrans-62.7-41.8176.2173.90000111.4L51 N52 M58 K59L51-V55 WeakPolarHBondContact O-CG2 3.5Å; L51-V55 PolarHBondContact O-N 3.08Å; N52-V55 PolarHBondContact O-N 2.68Å; V55-M58 WeakPolarHBondContact O-CB 3.42Å; V55-M58 PolarHBondContact O-N 3.3Å; V55-K59 PolarHBondContact O-N 3.26Å
56N44.4Very low47.8Very low98 Ų98112.6 Ų112.652%0.52454%0.542SS..Hα-helixtrans-68.6-33.6177.2-79.9-19.5000113.3N52 H53 N54 R60N52-N56 PolarHBondContact O-N 2.81Å; H53-N56 PolarHBondContact O-N 3.1Å; N54-N56 PolarHBondContact O-N 3.36Å; N56-R60 PolarHBondContact O-N 2.92Å
57K44.9Very low46.2Very low128 Ų128109.5 Ų109.556%0.55754%0.544SS*.Hα-helixtrans-66.4-40.3170-85.9-176.7170.3168.80111.8H53 N54 R60 S61H53-K57 WeakPolarHBondContact NE2-CE 3.33Å; H53-K57 PolarHBondContact NE2-NZ 3.43Å; H53-K57 PolarHBondContact O-N 2.77Å; N54-K57 PolarHBondContact O-N 3.21Å; K57-R60 PolarHBondContact O-N 2.96Å; K57-S61 PolarHBondContact O-N 2.87Å
58M46.1Very low45.3Very low91 Ų91105.6 Ų105.645%0.44854%0.539SS..Hα-helixtrans-61.3-49178.6-158.4163.875.100111.2N54 V55 R60 S61 E62N54-M58 WeakPolarHBondContact O-CB 3.45Å; N54-M58 PolarHBondContact O-N 3.5Å; V55-M58 WeakPolarHBondContact O-CB 3.42Å; V55-M58 PolarHBondContact O-N 3.3Å; M58-R60 VanDerWaalsContact C-N 3.31Å; M58-R60 PolarHBondContact O-N 3.41Å; M58-S61 PolarHBondContact O-N 2.88Å; M58-S61 PolarHBondContact O-OG 2.87Å; M58-E62 WeakPolarHBondContact O-CG 3.45Å; M58-E62 PolarHBondContact O-N 3.38Å
59K43Very low43.9Very low128 Ų128106.2 Ų106.256%0.55756%0.559SS**Hα-helixtrans-59.1-36175.5-72.7-173.4176.5-176.50113.9V55V55-K59 PolarHBondContact O-N 3.26Å
60R36.4Very low42.7Very low208 Ų208107.6 Ų107.679%0.78557%0.565SS**Hα-helixtrans-70.5-33.6174.5-81.7-177166143.7-3112.7N56 K57 M58N56-R60 PolarHBondContact O-N 2.92Å; K57-R60 PolarHBondContact O-N 2.96Å; M58-R60 VanDerWaalsContact C-N 3.31Å; M58-R60 PolarHBondContact O-N 3.41Å
61S41.8Very low41.5Very low48 Ų48106.8 Ų106.834%0.33656%0.561SS.*Hα-helixtrans-75.3-28.6176.771.10000113.3K57 M58 S64 T65K57-S61 PolarHBondContact O-N 2.87Å; M58-S61 PolarHBondContact O-N 2.88Å; M58-S61 PolarHBondContact O-OG 2.87Å; S61-S64 PolarHBondContact O-N 2.85Å; S61-T65 WeakPolarHBondContact O-CB 3.47Å; S61-T65 WeakPolarHBondContact O-CG2 3.33Å; S61-T65 PolarHBondContact O-N 2.7Å; S61-T65 PolarHBondContact O-OG1 3.49Å
62E37.2Very low40.9Very low56 Ų56103.8 Ų103.826%0.26255%0.55SS.*Hα-helixtrans-60.2-48.7174.3-74.7168.818000111.1M58 S64 T65 H66M58-E62 WeakPolarHBondContact O-CG 3.45Å; M58-E62 PolarHBondContact O-N 3.38Å; E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3.38Å; E62-T65 PolarHBondContact O-OG1 2.93Å; E62-H66 PolarHBondContact O-CD2 2.93Å
63N33.8Very low40.4Very low139 Ų139101.5 Ų101.574%0.74354%0.541SS*.Hα-helixtrans-69.3-23.7178.5-77.515.8000113.7
64S32.6Very low40.1Very low79 Ų79100 Ų10055%0.55254%0.536SS*.Hα-helixtrans-84.9-34.8-179170.80000112.9S61 E62 H66 V67S61-S64 PolarHBondContact O-N 2.85Å; E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3.38Å; S64-H66 PolarHBondContact O-N 3.32Å; S64-V67 PolarHBondContact O-N 3.09Å
65T36.4Very low39.9Very low60 Ų60100.4 Ų100.437%0.36854%0.535SS..Hα-helixtrans-80-18.5-171.844.20000114.2S61 E62 V67S61-T65 WeakPolarHBondContact O-CB 3.47Å; S61-T65 WeakPolarHBondContact O-CG2 3.33Å; S61-T65 PolarHBondContact O-N 2.7Å; S61-T65 PolarHBondContact O-OG1 3.49Å; E62-T65 PolarHBondContact O-OG1 2.93Å; T65-V67 PolarHBondContact O-N 3.31Å
66H33.5Very low40.3Very low169 Ų169100.4 Ų100.478%0.78254%0.535SS*.THydrogen-bonded Turntrans-68.5-11.3173.2-74-60.4000114.4E62 S64E62-H66 PolarHBondContact O-CD2 2.93Å; S64-H66 PolarHBondContact O-N 3.32Å
67V32.1Very low40.6Very low125 Ų12599.1 Ų99.176%0.75853%0.528SS*.THydrogen-bonded Turntrans-110.6-4.3-173.4-169.70000114.1S64 T65 G69S64-V67 PolarHBondContact O-N 3.09Å; T65-V67 PolarHBondContact O-N 3.31Å; V67-G69 PolarHBondContact O-N 3.09Å
68T35.1Very low41.1Very low85 Ų8599.3 Ų99.352%0.52153%0.529SS..  trans-94.298.6173.159.20000110.2K70 N71T68-K70 PolarHBondContact O-N 2.92Å; T68-N71 PolarHBondContact O-N 3.34Å
69G36.3Very low41.8Very low83 Ų83101.3 Ų101.386%0.85654%0.536SS*.THydrogen-bonded Turntrans-61.222.5-175.600000117.6V67V67-G69 PolarHBondContact O-N 3.09Å
70K38.9Very low42.9Very low194 Ų194101.9 Ų101.984%0.84353%0.534SS*.THydrogen-bonded Turntrans-111.3-5.8175.1-69-174.1179179.30114.4T68 S72T68-K70 PolarHBondContact O-N 2.92Å; K70-S72 VanDerWaalsContact C-N 3.3Å; K70-S72 PolarHBondContact O-N 3.45Å
71N37.8Very low44.4Very low85 Ų8595.8 Ų95.846%0.45552%0.515SS..  trans-93.955.2171.6-68.9-17.8000110.8T68 C73T68-N71 PolarHBondContact O-N 3.34Å; N71-C73 PolarHBondContact O-N 3.28Å
72S41.1Very low45.3Very low52 Ų5296.7 Ų96.736%0.36451%0.514SS..  trans-6999.317052.90000108.1K70 T76K70-S72 VanDerWaalsContact C-N 3.3Å; K70-S72 PolarHBondContact O-N 3.45Å; S72-T76 WeakPolarHBondContact CA-OG1 3.35Å; S72-T76 WeakPolarHBondContact CB-OG1 3.46Å
73C44.5Very low46.8Very low49 Ų49100.9 Ų100.933%0.33153%0.532SS..  trans-55151168.555.40000109.3N71 E75 T76 D77N71-C73 PolarHBondContact O-N 3.28Å; C73-E75 PolarHBondContact O-N 3.1Å; C73-T76 PolarHBondContact N-OG1 3.32Å; C73-T76 VanDerWaalsContact N-OG1 3.12Å; C73-T76 WeakPolarHBondContact O-CA 3.35Å; C73-T76 WeakPolarHBondContact O-CB 3.38Å; C73-T76 PolarHBondContact O-N 3.3Å; C73-T76 PolarHBondContact O-OG1 3.42Å; C73-D77 PolarHBondContact O-N 2.82Å
74I49.9Very low48.5Very low76 Ų76101.4 Ų101.439%0.3952%0.523SS..Hα-helixtrans-50.4-32175.2-64.8152.9000111.2T76 D77 F78 L363I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 3.41Å; I74-D77 PolarHBondContact O-N 3.3Å; I74-F78 WeakPolarHBondContact O-CB 3.33Å; I74-F78 PolarHBondContact O-N 3.21Å; I74-L363 HydrophobicContact CD1-CD1 3.67Å
75E43.5Very low50.1Low99 Ų99104.8 Ų104.846%0.46353%0.525SS..Hα-helixtrans-58.1-39.4172.9-68.7-172.3-172.900112.5C73 K79C73-E75 PolarHBondContact O-N 3.1Å; E75-K79 WeakPolarHBondContact O-CB 3.45Å; E75-K79 WeakPolarHBondContact O-CD 3.48Å; E75-K79 WeakPolarHBondContact O-CG 3.37Å; E75-K79 PolarHBondContact O-N 2.96Å
76T56.6Low51.7Low57 Ų57109.4 Ų109.435%0.3554%0.537SS..Hα-helixtrans-70.3-37.9174.650.80000113.2S72 C73 I74 R80S72-T76 WeakPolarHBondContact CA-OG1 3.35Å; S72-T76 WeakPolarHBondContact CB-OG1 3.46Å; C73-T76 PolarHBondContact N-OG1 3.32Å; C73-T76 VanDerWaalsContact N-OG1 3.12Å; C73-T76 WeakPolarHBondContact O-CA 3.35Å; C73-T76 WeakPolarHBondContact O-CB 3.38Å; C73-T76 PolarHBondContact O-N 3.3Å; C73-T76 PolarHBondContact O-OG1 3.42Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 3.41Å; T76-R80 WeakPolarHBondContact O-CB 3.48Å; T76-R80 PolarHBondContact O-N 2.99Å
77D52.1Low53.6Low70 Ų70105.2 Ų105.237%0.37452%0.519SS..Hα-helixtrans-72.5-41.6176.9-74.9-25.2000111.9C73 I74 R80 E81C73-D77 PolarHBondContact O-N 2.82Å; I74-D77 PolarHBondContact O-N 3.3Å; D77-R80 WeakPolarHBondContact O-CB 3.32Å; D77-R80 PolarHBondContact O-N 3.48Å; D77-E81 WeakPolarHBondContact O-CB 3.44Å; D77-E81 PolarHBondContact O-N 2.95Å
78F54.5Low55.5Low132 Ų132100.5 Ų100.558%0.57950%0.496SS*.Hα-helixtrans-62.6-46.6171.7179.9-101.5000111.3I74 R80 E81 M82I74-F78 WeakPolarHBondContact O-CB 3.33Å; I74-F78 PolarHBondContact O-N 3.21Å; F78-R80 VanDerWaalsContact C-N 3.28Å; F78-R80 PolarHBondContact O-N 3.1Å; F78-E81 PolarHBondContact O-N 3.32Å; F78-M82 HydrophobicContact CD1-CG 4.09Å; F78-M82 HydrophobicContact CD2-CG 4.29Å; F78-M82 HydrophobicContact CE1-CG 3.69Å; F78-M82 HydrophobicContact CE2-CG 3.91Å; F78-M82 HydrophobicContact CE2-SD 4.12Å; F78-M82 HydrophobicContact CG-CG 4.38Å; F78-M82 HydrophobicContact CZ-CG 3.59Å; F78-M82 HydrophobicContact CZ-SD 3.9Å; F78-M82 WeakPolarHBondContact O-CB 3.34Å; F78-M82 VanDerWaalsContact O-CG 3.26Å; F78-M82 WeakPolarHBondContact O-CG 3.4Å; F78-M82 PolarHBondContact O-N 3.02Å
79K61Low57.2Low134 Ų134101.2 Ų101.258%0.58350%0.496SS*.Hα-helixtrans-60.3-38.1173.4-78.4171.6-179.6172.90111.4E75 K83E75-K79 WeakPolarHBondContact O-CB 3.45Å; E75-K79 WeakPolarHBondContact O-CD 3.48Å; E75-K79 WeakPolarHBondContact O-CG 3.37Å; E75-K79 PolarHBondContact O-N 2.96Å; K79-K83 WeakPolarHBondContact O-CB 3.21Å; K79-K83 PolarHBondContact O-N 2.91Å
80R65.7Low59.3Low139 Ų139103.7 Ų103.753%0.52548%0.483SS..Hα-helixtrans-66.4-44.8177.3-175.9-176.1-65.6-176.4-0.2111.5T76 D77 F78 K83 R84T76-R80 WeakPolarHBondContact O-CB 3.48Å; T76-R80 PolarHBondContact O-N 2.99Å; D77-R80 WeakPolarHBondContact O-CB 3.32Å; D77-R80 PolarHBondContact O-N 3.48Å; F78-R80 VanDerWaalsContact C-N 3.28Å; F78-R80 PolarHBondContact O-N 3.1Å; R80-K83 PolarHBondContact O-N 2.9Å; R80-R84 WeakPolarHBondContact O-CG 3.35Å; R80-R84 PolarHBondContact O-N 3.29Å
81E68Low61.1Low80 Ų8099.4 Ų99.437%0.37447%0.466SS..Hα-helixtrans-68.8-45.4179.3-163.257.5-153.100110.9D77 F78 K83 R84 Y85D77-E81 WeakPolarHBondContact O-CB 3.44Å; D77-E81 PolarHBondContact O-N 2.95Å; F78-E81 PolarHBondContact O-N 3.32Å; E81-K83 VanDerWaalsContact C-N 3.31Å; E81-K83 PolarHBondContact O-N 3.45Å; E81-R84 WeakPolarHBondContact O-CB 3.42Å; E81-R84 PolarHBondContact O-N 3.41Å; E81-R84 VanDerWaalsContact O-N 3.08Å; E81-R84 IonicContact OE2-NH1 3.36Å; E81-R84 PolarHBondContact OE2-NH1 3.15Å; E81-Y85 HydrophobicContact CG-CD2 4.12Å; E81-Y85 HydrophobicContact CG-CE2 3.93Å; E81-Y85 WeakPolarHBondContact O-CD2 3.43Å; E81-Y85 PolarHBondContact O-N 2.85Å; E81-Y85 WeakPolarHBondContact OE1-CE2 3.39Å
82M61.4Low63Low67 Ų6799.5 Ų99.533%0.3347%0.467SS..Hα-helixtrans-57.6-43.5171.2-70.6-59.6-63.300111.3F78 R84 Y85 Y86F78-M82 HydrophobicContact CD1-CG 4.09Å; F78-M82 HydrophobicContact CD2-CG 4.29Å; F78-M82 HydrophobicContact CE1-CG 3.69Å; F78-M82 HydrophobicContact CE2-CG 3.91Å; F78-M82 HydrophobicContact CE2-SD 4.12Å; F78-M82 HydrophobicContact CG-CG 4.38Å; F78-M82 HydrophobicContact CZ-CG 3.59Å; F78-M82 HydrophobicContact CZ-SD 3.9Å; F78-M82 WeakPolarHBondContact O-CB 3.34Å; F78-M82 VanDerWaalsContact O-CG 3.26Å; F78-M82 WeakPolarHBondContact O-CG 3.4Å; F78-M82 PolarHBondContact O-N 3.02Å; M82-R84 VanDerWaalsContact C-N 3.31Å; M82-R84 PolarHBondContact O-N 3.48Å; M82-Y85 PolarHBondContact O-N 3.39Å; M82-Y86 HydrophobicContact CB-CD2 4.39Å; M82-Y86 HydrophobicContact CE-CD2 4.23Å; M82-Y86 HydrophobicContact CE-CE2 3.53Å; M82-Y86 WeakPolarHBondContact O-CB 3.42Å; M82-Y86 WeakPolarHBondContact O-CD2 3.34Å; M82-Y86 PolarHBondContact O-N 3.41Å
83K68.7Low64.8Low144 Ų144101.6 Ų101.663%0.62647%0.473SS*.Hα-helixtrans-60.9-38.7175.9-171.5173-176.3175.90111.6K79 R80 E81 I87K79-K83 WeakPolarHBondContact O-CB 3.21Å; K79-K83 PolarHBondContact O-N 2.91Å; R80-K83 PolarHBondContact O-N 2.9Å; E81-K83 VanDerWaalsContact C-N 3.31Å; E81-K83 PolarHBondContact O-N 3.45Å; K83-I87 HydrophobicContact CG-CD1 3.87Å; K83-I87 HydrophobicContact CG-CG1 4.45Å; K83-I87 WeakPolarHBondContact O-CB 3.28Å; K83-I87 WeakPolarHBondContact O-CD1 3.37Å; K83-I87 WeakPolarHBondContact O-CG1 3.43Å; K83-I87 PolarHBondContact O-N 2.94Å
84R69Low66.6Low151 Ų151102.3 Ų102.357%0.5747%0.474SS*.Hα-helixtrans-64.1-47.5173.7-73.9172.5174.8-178.6-4112.1R80 E81 M82 I87 G88R80-R84 WeakPolarHBondContact O-CG 3.35Å; R80-R84 PolarHBondContact O-N 3.29Å; E81-R84 WeakPolarHBondContact O-CB 3.42Å; E81-R84 PolarHBondContact O-N 3.41Å; E81-R84 VanDerWaalsContact O-N 3.08Å; E81-R84 IonicContact OE2-NH1 3.36Å; E81-R84 PolarHBondContact OE2-NH1 3.15Å; M82-R84 VanDerWaalsContact C-N 3.31Å; M82-R84 PolarHBondContact O-N 3.48Å; R84-I87 PolarHBondContact O-N 3.27Å; R84-G88 PolarHBondContact O-N 3.5Å
85Y66.3Low68.3Low150 Ų150103.6 Ų103.659%0.58848%0.477SS*.Hα-helixtrans-60-45.6175.9-85.7-78.3000111.7E81 M82 G88 L89E81-Y85 HydrophobicContact CG-CD2 4.12Å; E81-Y85 HydrophobicContact CG-CE2 3.93Å; E81-Y85 WeakPolarHBondContact O-CD2 3.43Å; E81-Y85 PolarHBondContact O-N 2.85Å; E81-Y85 WeakPolarHBondContact OE1-CE2 3.39Å; M82-Y85 PolarHBondContact O-N 3.39Å; Y85-G88 PolarHBondContact O-N 3.08Å; Y85-L89 WeakPolarHBondContact O-CB 3.41Å; Y85-L89 PolarHBondContact O-N 3.48Å
86Y70.2Confident70.1Confident156 Ų156102.8 Ų102.861%0.61248%0.475SS*.Hα-helixtrans-64-40.1176.6-84.9-69.1000112.6M82 L89 K90M82-Y86 HydrophobicContact CB-CD2 4.39Å; M82-Y86 HydrophobicContact CE-CD2 4.23Å; M82-Y86 HydrophobicContact CE-CE2 3.53Å; M82-Y86 WeakPolarHBondContact O-CB 3.42Å; M82-Y86 WeakPolarHBondContact O-CD2 3.34Å; M82-Y86 PolarHBondContact O-N 3.41Å; Y86-L89 PolarHBondContact O-N 2.85Å; Y86-K90 VanDerWaalsContact O-CB 3.27Å; Y86-K90 WeakPolarHBondContact O-CB 3.35Å; Y86-K90 PolarHBondContact O-N 3.1Å
87I72.1Confident71.4Confident81 Ų81104.2 Ų104.242%0.41548%0.48SS..Hα-helixtrans-63.7-43.2174.5-71164.3000110.5K83 R84 K90 Q91K83-I87 HydrophobicContact CG-CD1 3.87Å; K83-I87 HydrophobicContact CG-CG1 4.45Å; K83-I87 WeakPolarHBondContact O-CB 3.28Å; K83-I87 WeakPolarHBondContact O-CD1 3.37Å; K83-I87 WeakPolarHBondContact O-CG1 3.43Å; K83-I87 PolarHBondContact O-N 2.94Å; R84-I87 PolarHBondContact O-N 3.27Å; I87-K90 PolarHBondContact O-N 3.33Å; I87-Q91 HydrophobicContact CG2-CG 4.49Å; I87-Q91 WeakPolarHBondContact O-CB 3.42Å; I87-Q91 VanDerWaalsContact O-CG 3.3Å; I87-Q91 WeakPolarHBondContact O-CG 3.45Å; I87-Q91 PolarHBondContact O-N 2.88Å
88G72.6Confident73Confident26 Ų26107.6 Ų107.627%0.26849%0.488SS..Hα-helixtrans-64.3-42.7177.100000112.9R84 Y85 Q91 N92R84-G88 PolarHBondContact O-N 3.5Å; Y85-G88 PolarHBondContact O-N 3.08Å; G88-Q91 PolarHBondContact O-N 3.04Å; G88-N92 PolarHBondContact O-N 3.21Å
89L70.7Confident74.5Confident100 Ų100106.1 Ų106.152%0.52449%0.485SS..Hα-helixtrans-61.6-47.2173.1-97156.9000111.5Y85 Y86 Q91 N92 L93Y85-L89 WeakPolarHBondContact O-CB 3.41Å; Y85-L89 PolarHBondContact O-N 3.48Å; Y86-L89 PolarHBondContact O-N 2.85Å; L89-Q91 PolarHBondContact O-N 3.03Å; L89-N92 PolarHBondContact O-N 3.31Å; L89-N92 VanDerWaalsContact O-N 3.12Å; L89-L93 WeakPolarHBondContact O-CG 3.25Å; L89-L93 PolarHBondContact O-N 2.96Å
90K81.4Confident75.5Confident136 Ų136105.5 Ų105.559%0.59148%0.484SS*.Hα-helixtrans-57.9-48.1176.2-174.5173.9-178.61770111.2Y86 I87 N92 L93 D94Y86-K90 VanDerWaalsContact O-CB 3.27Å; Y86-K90 WeakPolarHBondContact O-CB 3.35Å; Y86-K90 PolarHBondContact O-N 3.1Å; I87-K90 PolarHBondContact O-N 3.33Å; K90-N92 VanDerWaalsContact C-N 3.26Å; K90-N92 PolarHBondContact O-N 3Å; K90-L93 PolarHBondContact O-N 3.33Å; K90-D94 WeakPolarHBondContact O-CB 3.4Å; K90-D94 PolarHBondContact O-N 3.36Å
91Q76Confident76.5Confident103 Ų103104.7 Ų104.748%0.48149%0.486SS..Hα-helixtrans-61.4-33.1176.4-74178.14.200113.5I87 G88 L89 K95I87-Q91 HydrophobicContact CG2-CG 4.49Å; I87-Q91 WeakPolarHBondContact O-CB 3.42Å; I87-Q91 VanDerWaalsContact O-CG 3.3Å; I87-Q91 WeakPolarHBondContact O-CG 3.45Å; I87-Q91 PolarHBondContact O-N 2.88Å; G88-Q91 PolarHBondContact O-N 3.04Å; L89-Q91 PolarHBondContact O-N 3.03Å; Q91-K95 VanDerWaalsContact O-CG 3.24Å; Q91-K95 WeakPolarHBondContact O-CG 3.38Å; Q91-K95 PolarHBondContact O-N 2.87Å; Q91-K95 VanDerWaalsContact O-N 3.16Å
92N78.4Confident77.4Confident88 Ų88107.3 Ų107.347%0.47150%0.499SS..Hα-helixtrans-74-39.8176-77.7-19.1000111.9G88 L89 K90 K95 I96G88-N92 PolarHBondContact O-N 3.21Å; L89-N92 PolarHBondContact O-N 3.31Å; L89-N92 VanDerWaalsContact O-N 3.12Å; K90-N92 VanDerWaalsContact C-N 3.26Å; K90-N92 PolarHBondContact O-N 3Å; N92-K95 WeakPolarHBondContact O-CB 3.47Å; N92-K95 PolarHBondContact O-N 3.45Å; N92-I96 WeakPolarHBondContact O-CG1 3.25Å; N92-I96 PolarHBondContact O-N 2.96Å
93L77.7Confident78.6Confident95 Ų95107.8 Ų107.850%0.49751%0.505SS..Hα-helixtrans-61.4-48.7171.7-70.5172.2000110.7L89 K90 K95 I96 D97L89-L93 WeakPolarHBondContact O-CG 3.25Å; L89-L93 PolarHBondContact O-N 2.96Å; K90-L93 PolarHBondContact O-N 3.33Å; L93-K95 PolarHBondContact O-N 3.22Å; L93-K95 VanDerWaalsContact O-N 3.09Å; L93-I96 WeakPolarHBondContact O-CA 3.47Å; L93-I96 WeakPolarHBondContact O-CB 3.18Å; L93-I96 PolarHBondContact O-N 3.46Å; L93-D97 PolarHBondContact O-N 2.96Å
94D82.8Confident79.4Confident64 Ų64103.9 Ų103.934%0.34250%0.5SS..Hα-helixtrans-59.1-26.8176.1-63-18.6000112.9K90 R98K90-D94 WeakPolarHBondContact O-CB 3.4Å; K90-D94 PolarHBondContact O-N 3.36Å; D94-R98 WeakPolarHBondContact O-CB 3.42Å; D94-R98 WeakPolarHBondContact O-CG 3.41Å; D94-R98 PolarHBondContact O-N 2.83Å; D94-R98 PolarHBondContact O-NE 3.43Å
95K86Confident80.3Confident103 Ų103100.2 Ų100.245%0.44849%0.491SS..Hα-helixtrans-77.3-42.5173.3-77.5169.4-169.8168.30111.5Q91 N92 L93 D97 R98 I99Q91-K95 VanDerWaalsContact O-CG 3.24Å; Q91-K95 WeakPolarHBondContact O-CG 3.38Å; Q91-K95 PolarHBondContact O-N 2.87Å; Q91-K95 VanDerWaalsContact O-N 3.16Å; N92-K95 WeakPolarHBondContact O-CB 3.47Å; N92-K95 PolarHBondContact O-N 3.45Å; L93-K95 PolarHBondContact O-N 3.22Å; L93-K95 VanDerWaalsContact O-N 3.09Å; K95-D97 VanDerWaalsContact C-N 3.33Å; K95-R98 PolarHBondContact O-N 2.93Å; K95-I99 VanDerWaalsContact O-CG1 3.26Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 3.23Å
96I81.6Confident81.5Confident82 Ų8299.9 Ų99.942%0.42149%0.492SS..Hα-helixtrans-62-46.2177.1-68.9165.9000109.3N92 L93 R98 I99 Q100N92-I96 WeakPolarHBondContact O-CG1 3.25Å; N92-I96 PolarHBondContact O-N 2.96Å; L93-I96 WeakPolarHBondContact O-CA 3.47Å; L93-I96 WeakPolarHBondContact O-CB 3.18Å; L93-I96 PolarHBondContact O-N 3.46Å; I96-R98 PolarHBondContact O-N 3.38Å; I96-I99 PolarHBondContact O-N 3.36Å; I96-Q100 HydrophobicContact CG2-CG 4.37Å; I96-Q100 WeakPolarHBondContact O-CG 3.42Å; I96-Q100 PolarHBondContact O-N 3.41Å
97D83.6Confident82.3Confident87 Ų8798.1 Ų98.147%0.46549%0.491SS..Hα-helixtrans-61.1-45179.5-68.3-15.9000111.5L93 K95 I99 Q100 E101L93-D97 PolarHBondContact O-N 2.96Å; K95-D97 VanDerWaalsContact C-N 3.33Å; D97-I99 PolarHBondContact O-N 2.97Å; D97-Q100 PolarHBondContact O-N 3.11Å; D97-E101 WeakPolarHBondContact O-CB 3.42Å; D97-E101 PolarHBondContact O-N 3.24Å
98R84.7Confident83.1Confident141 Ų14198.2 Ų98.253%0.53249%0.493SS..Hα-helixtrans-60.5-43.7174.3-81.3-176.4-77.3-172.4-8.4113.2D94 K95 I96 Q100 E101 E102D94-R98 WeakPolarHBondContact O-CB 3.42Å; D94-R98 WeakPolarHBondContact O-CG 3.41Å; D94-R98 PolarHBondContact O-N 2.83Å; D94-R98 PolarHBondContact O-NE 3.43Å; K95-R98 PolarHBondContact O-N 2.93Å; I96-R98 PolarHBondContact O-N 3.38Å; R98-Q100 VanDerWaalsContact C-N 3.32Å; R98-Q100 PolarHBondContact O-N 3.34Å; R98-E101 PolarHBondContact O-N 3.29Å; R98-E102 WeakPolarHBondContact O-CB 3.02Å; R98-E102 WeakPolarHBondContact O-CG 3.33Å; R98-E102 PolarHBondContact O-N 3.04Å
99I86.4Confident84Confident102 Ų102105.2 Ų105.252%0.52351%0.511SS..Hα-helixtrans-65-40178.3-69.5166.3000110.5K95 I96 D97 T103K95-I99 VanDerWaalsContact O-CG1 3.26Å; K95-I99 WeakPolarHBondContact O-CG1 3.49Å; K95-I99 PolarHBondContact O-N 3.23Å; I96-I99 PolarHBondContact O-N 3.36Å; D97-I99 PolarHBondContact O-N 2.97Å; I99-T103 VanDerWaalsContact O-CB 3.31Å; I99-T103 WeakPolarHBondContact O-CB 3.5Å; I99-T103 PolarHBondContact O-N 3.35Å; I99-T103 PolarHBondContact O-OG1 3.29Å
100Q83.1Confident84.8Confident120 Ų120104.3 Ų104.356%0.56151%0.506SS*.Hα-helixtrans-64.7-43176.1-73.3-178.9-0.200111.4I96 D97 R98 T103 A104I96-Q100 HydrophobicContact CG2-CG 4.37Å; I96-Q100 WeakPolarHBondContact O-CG 3.42Å; I96-Q100 PolarHBondContact O-N 3.41Å; D97-Q100 PolarHBondContact O-N 3.11Å; R98-Q100 VanDerWaalsContact C-N 3.32Å; R98-Q100 PolarHBondContact O-N 3.34Å; Q100-T103 PolarHBondContact O-N 3.34Å; Q100-A104 WeakPolarHBondContact O-CB 3.34Å; Q100-A104 PolarHBondContact O-N 2.91Å
101E85.8Confident85.2Confident122 Ų122104.4 Ų104.457%0.5750%0.504SS*.Hα-helixtrans-61.6-49.7176.2-173.4-180-172.400111.8D97 R98 T103 A104 I105D97-E101 WeakPolarHBondContact O-CB 3.42Å; D97-E101 PolarHBondContact O-N 3.24Å; R98-E101 PolarHBondContact O-N 3.29Å; E101-T103 VanDerWaalsContact C-N 3.28Å; E101-T103 PolarHBondContact O-N 2.99Å; E101-A104 PolarHBondContact O-N 3.48Å; E101-I105 HydrophobicContact CG-CD1 4.01Å; E101-I105 VanDerWaalsContact O-CG1 3.31Å; E101-I105 WeakPolarHBondContact O-CG1 3.47Å; E101-I105 PolarHBondContact O-N 2.82Å
102E86.3Confident86Confident136 Ų136105.8 Ų105.864%0.63651%0.508SS*.Hα-helixtrans-58-42.4176.2-76.1-178.4-177.900111.8R98 I105 K106R98-E102 WeakPolarHBondContact O-CB 3.02Å; R98-E102 WeakPolarHBondContact O-CG 3.33Å; R98-E102 PolarHBondContact O-N 3.04Å; E102-I105 PolarHBondContact O-N 3.02Å; E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 PolarHBondContact O-N 3.06Å
103T86.5Confident86.5Confident76 Ų76107.6 Ų107.647%0.46651%0.514SS..Hα-helixtrans-65.2-43.4178-560000110.9I99 Q100 E101 K106 M107I99-T103 VanDerWaalsContact O-CB 3.31Å; I99-T103 WeakPolarHBondContact O-CB 3.5Å; I99-T103 PolarHBondContact O-N 3.35Å; I99-T103 PolarHBondContact O-OG1 3.29Å; Q100-T103 PolarHBondContact O-N 3.34Å; E101-T103 VanDerWaalsContact C-N 3.28Å; E101-T103 PolarHBondContact O-N 2.99Å; T103-K106 PolarHBondContact O-N 3.42Å; T103-M107 HydrophobicContact CG2-CG 4.5Å; T103-M107 WeakPolarHBondContact O-CB 3.28Å; T103-M107 VanDerWaalsContact O-CG 3.29Å; T103-M107 WeakPolarHBondContact O-CG 3.5Å; T103-M107 PolarHBondContact O-N 3.41Å
104A86.6Confident86.9Confident62 Ų62106.6 Ų106.651%0.51252%0.515SS..Hα-helixtrans-63-43.4176.900000111.9Q100 E101 M107 N108Q100-A104 WeakPolarHBondContact O-CB 3.34Å; Q100-A104 PolarHBondContact O-N 2.91Å; E101-A104 PolarHBondContact O-N 3.48Å; A104-M107 PolarHBondContact O-N 3.46Å; A104-N108 WeakPolarHBondContact O-CB 3.42Å; A104-N108 PolarHBondContact O-N 2.96Å
105I88.5Confident87.2Confident74 Ų74109.8 Ų109.838%0.37952%0.522SS..Hα-helixtrans-61.3-46.2175.3-67.9167.2000110.2E101 E102 M107 N108 R109E101-I105 HydrophobicContact CG-CD1 4.01Å; E101-I105 VanDerWaalsContact O-CG1 3.31Å; E101-I105 WeakPolarHBondContact O-CG1 3.47Å; E101-I105 PolarHBondContact O-N 2.82Å; E102-I105 PolarHBondContact O-N 3.02Å; I105-M107 PolarHBondContact O-N 2.91Å; I105-N108 PolarHBondContact O-N 3.47Å; I105-R109 WeakPolarHBondContact O-CG 3.34Å; I105-R109 PolarHBondContact O-N 3.21Å
106K89.8Confident87.3Confident143 Ų143111.4 Ų111.462%0.62253%0.529SS*.Hα-helixtrans-61.6-44.7179.1-170.5175.6-177.31780111.6E102 T103 N108 R109 L110E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 PolarHBondContact O-N 3.06Å; T103-K106 PolarHBondContact O-N 3.42Å; K106-N108 PolarHBondContact O-N 3.25Å; K106-R109 PolarHBondContact O-N 3.22Å; K106-L110 HydrophobicContact CG-CD1 4.41Å; K106-L110 WeakPolarHBondContact O-CG 3.26Å; K106-L110 PolarHBondContact O-N 2.97Å
107M87.8Confident87.6Confident119 Ų119113.6 Ų113.659%0.58654%0.541SS*.Hα-helixtrans-63.1-40.6175.9-72.4-59.7-68.600112.2T103 A104 I105 L110 Y111T103-M107 HydrophobicContact CG2-CG 4.5Å; T103-M107 WeakPolarHBondContact O-CB 3.28Å; T103-M107 VanDerWaalsContact O-CG 3.29Å; T103-M107 WeakPolarHBondContact O-CG 3.5Å; T103-M107 PolarHBondContact O-N 3.41Å; A104-M107 PolarHBondContact O-N 3.46Å; I105-M107 PolarHBondContact O-N 2.91Å; M107-L110 PolarHBondContact O-N 2.88Å; M107-L110 HydrophobicContact SD-CD1 4.47Å; M107-Y111 WeakPolarHBondContact O-CB 3.17Å; M107-Y111 PolarHBondContact O-N 3.5Å
108N89.9Confident87.7Confident84 Ų84111.9 Ų111.945%0.44954%0.539SS..Hα-helixtrans-66.6-40.5177.2-165.5-21.3000111.9A104 I105 K106 Y111 K112A104-N108 WeakPolarHBondContact O-CB 3.42Å; A104-N108 PolarHBondContact O-N 2.96Å; I105-N108 PolarHBondContact O-N 3.47Å; K106-N108 PolarHBondContact O-N 3.25Å; N108-Y111 PolarHBondContact O-N 3.04Å; N108-K112 WeakPolarHBondContact O-CG 3.45Å; N108-K112 PolarHBondContact O-N 3.36Å; N108-K112 WeakPolarHBondContact OD1-CE 3.09Å
109R89.6Confident87.7Confident173 Ų173111.5 Ų111.565%0.65354%0.537SS*.Hα-helixtrans-59.8-50.9172.9-73179.8-175.5179.92.7111.3I105 K106 Y111 K112 E113I105-R109 WeakPolarHBondContact O-CG 3.34Å; I105-R109 PolarHBondContact O-N 3.21Å; K106-R109 PolarHBondContact O-N 3.22Å; R109-Y111 VanDerWaalsContact C-N 3.29Å; R109-Y111 PolarHBondContact O-N 3.21Å; R109-K112 PolarHBondContact O-N 3.41Å; R109-K112 VanDerWaalsContact O-N 3.16Å; R109-E113 WeakPolarHBondContact O-CG 3.35Å; R109-E113 PolarHBondContact O-N 3.35Å
110L88.3Confident87.6Confident80 Ų80114.5 Ų114.542%0.41954%0.542SS..Hα-helixtrans-58.8-40.5177.1-72.6172.6000112.2K106 M107 E113 S114K106-L110 HydrophobicContact CG-CD1 4.41Å; K106-L110 WeakPolarHBondContact O-CG 3.26Å; K106-L110 PolarHBondContact O-N 2.97Å; M107-L110 PolarHBondContact O-N 2.88Å; M107-L110 HydrophobicContact SD-CD1 4.47Å; L110-E113 PolarHBondContact O-N 2.84Å; L110-S114 VanDerWaalsContact O-CB 3.27Å; L110-S114 WeakPolarHBondContact O-CB 3.38Å; L110-S114 PolarHBondContact O-N 3.47Å; L110-S114 PolarHBondContact O-OG 3.4Å
111Y90.6Very high87.6Confident139 Ų139110.5 Ų110.555%0.54553%0.533SS..Hα-helixtrans-63.8-45.3175.5175.2-106.8000112.1M107 N108 R109 S114 R115M107-Y111 WeakPolarHBondContact O-CB 3.17Å; M107-Y111 PolarHBondContact O-N 3.5Å; N108-Y111 PolarHBondContact O-N 3.04Å; R109-Y111 VanDerWaalsContact C-N 3.29Å; R109-Y111 PolarHBondContact O-N 3.21Å; Y111-S114 PolarHBondContact O-N 3.3Å; Y111-R115 WeakPolarHBondContact O-CB 3.27Å; Y111-R115 PolarHBondContact O-N 3.5Å
112K91.6Very high87.5Confident131 Ų131112 Ų11257%0.5753%0.534SS*.Hα-helixtrans-62.5-43.4176.1-76-179.1180-179.60111.8N108 R109 R115 K116N108-K112 WeakPolarHBondContact O-CG 3.45Å; N108-K112 PolarHBondContact O-N 3.36Å; N108-K112 WeakPolarHBondContact OD1-CE 3.09Å; R109-K112 PolarHBondContact O-N 3.41Å; R109-K112 VanDerWaalsContact O-N 3.16Å; K112-R115 PolarHBondContact O-N 3.49Å; K112-K116 WeakPolarHBondContact O-CG 3.44Å; K112-K116 PolarHBondContact O-N 3.44Å
113E89.8Confident87.3Confident126 Ų126109.7 Ų109.759%0.58953%0.526SS*.Hα-helixtrans-63.1-46.9175.9-74.3-175164.900111.8R109 L110 R115 K116 L117R109-E113 WeakPolarHBondContact O-CG 3.35Å; R109-E113 PolarHBondContact O-N 3.35Å; L110-E113 PolarHBondContact O-N 2.84Å; E113-R115 VanDerWaalsContact C-N 3.26Å; E113-R115 PolarHBondContact O-N 3.45Å; E113-K116 WeakPolarHBondContact O-CB 3.34Å; E113-K116 PolarHBondContact O-N 3.45Å; E113-K116 VanDerWaalsContact O-N 3.11Å; E113-L117 WeakPolarHBondContact O-CB 3.33Å; E113-L117 PolarHBondContact O-N 3.43Å
114S86.2Confident87Confident75 Ų75111.9 Ų111.952%0.52453%0.53SS..Hα-helixtrans-57.7-40.9175.3-60.70000111.4L110 Y111 L117 A118L110-S114 VanDerWaalsContact O-CB 3.27Å; L110-S114 WeakPolarHBondContact O-CB 3.38Å; L110-S114 PolarHBondContact O-N 3.47Å; L110-S114 PolarHBondContact O-OG 3.4Å; Y111-S114 PolarHBondContact O-N 3.3Å; S114-L117 PolarHBondContact O-N 3.42Å; S114-A118 WeakPolarHBondContact O-CB 3.48Å; S114-A118 PolarHBondContact O-N 3.45Å
115R88.4Confident86.9Confident131 Ų131116.4 Ų116.449%0.49454%0.539SS..Hα-helixtrans-68.7-37.9176.6-164.1174.8-171.5-176.71.8112.4Y111 K112 E113 R119Y111-R115 WeakPolarHBondContact O-CB 3.27Å; Y111-R115 PolarHBondContact O-N 3.5Å; K112-R115 PolarHBondContact O-N 3.49Å; E113-R115 VanDerWaalsContact C-N 3.26Å; E113-R115 PolarHBondContact O-N 3.45Å; R115-R119 VanDerWaalsContact O-CG 3.29Å; R115-R119 WeakPolarHBondContact O-CG 3.49Å; R115-R119 PolarHBondContact O-N 3.38Å; R115-R119 VanDerWaalsContact O-N 3.07Å
116K89.2Confident86.6Confident137 Ų137119.5 Ų119.560%0.59655%0.549SS*.Hα-helixtrans-63.8-45.4172.8-76.1-178.9179-175.10110.7K112 E113 R119 R120K112-K116 WeakPolarHBondContact O-CG 3.44Å; K112-K116 PolarHBondContact O-N 3.44Å; E113-K116 WeakPolarHBondContact O-CB 3.34Å; E113-K116 PolarHBondContact O-N 3.45Å; E113-K116 VanDerWaalsContact O-N 3.11Å; K116-R119 WeakPolarHBondContact O-CB 3.36Å; K116-R119 PolarHBondContact O-N 3.49Å; K116-R119 VanDerWaalsContact O-N 3.13Å; K116-R120 PolarHBondContact O-N 3.42Å
117L86.9Confident86.2Confident127 Ų127118.3 Ų118.367%0.66555%0.546SS*.Hα-helixtrans-62.1-44.6177.7-162.1115.1000111.6E113 S114 R119 R120 G121E113-L117 WeakPolarHBondContact O-CB 3.33Å; E113-L117 PolarHBondContact O-N 3.43Å; S114-L117 PolarHBondContact O-N 3.42Å; L117-R119 PolarHBondContact O-N 3.24Å; L117-R120 PolarHBondContact O-N 3.33Å; L117-G121 PolarHBondContact O-N 3.31Å
118A85.3Confident85.7Confident51 Ų51116 Ų11642%0.42154%0.541SS..Hα-helixtrans-65.4-24.4175.100000113.8S114 R122S114-A118 WeakPolarHBondContact O-CB 3.48Å; S114-A118 PolarHBondContact O-N 3.45Å; A118-R122 WeakPolarHBondContact O-CG 3.33Å; A118-R122 PolarHBondContact O-N 3.16Å; A118-R122 PolarHBondContact O-NE 3.48Å
119R85.8Confident85.3Confident133 Ų133116.3 Ų116.350%0.50254%0.543SS..Hα-helixtrans-77.7-43.6171.1-74.6173.4-179.7-175.60.2111.3R115 K116 L117 R122 N123R115-R119 VanDerWaalsContact O-CG 3.29Å; R115-R119 WeakPolarHBondContact O-CG 3.49Å; R115-R119 PolarHBondContact O-N 3.38Å; R115-R119 VanDerWaalsContact O-N 3.07Å; K116-R119 WeakPolarHBondContact O-CB 3.36Å; K116-R119 PolarHBondContact O-N 3.49Å; K116-R119 VanDerWaalsContact O-N 3.13Å; L117-R119 PolarHBondContact O-N 3.24Å; R119-R122 PolarHBondContact O-N 3.5Å; R119-N123 PolarHBondContact O-N 3.19Å
120R83.7Confident84.9Confident165 Ų165115.2 Ų115.262%0.62354%0.543SS*.Hα-helixtrans-57.7-51.6174.5-72.7-178-177.8164.6-1.4111.1K116 L117 R122 N123 E124K116-R120 PolarHBondContact O-N 3.42Å; L117-R120 PolarHBondContact O-N 3.33Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 3.41Å; R120-N123 PolarHBondContact O-N 3.23Å; R120-E124 WeakPolarHBondContact O-CB 3.27Å; R120-E124 WeakPolarHBondContact O-CG 3.29Å; R120-E124 PolarHBondContact O-N 3.47Å
121G83.5Confident84.4Confident36 Ų36117.2 Ų117.237%0.37155%0.548SS..Hα-helixtrans-59.8-33.8177.500000113.7L117 K125L117-G121 PolarHBondContact O-N 3.31Å; G121-K125 VanDerWaalsContact O-CB 3.28Å; G121-K125 WeakPolarHBondContact O-CB 3.47Å; G121-K125 PolarHBondContact O-N 3.17Å
122R82.7Confident83.6Confident154 Ų154118.6 Ų118.658%0.58155%0.554SS**Hα-helixtrans-70.8-39.3172.3-85.2-173.2-76.6169.7-11.8113A118 R119 R120 K126A118-R122 WeakPolarHBondContact O-CG 3.33Å; A118-R122 PolarHBondContact O-N 3.16Å; A118-R122 PolarHBondContact O-NE 3.48Å; R119-R122 PolarHBondContact O-N 3.5Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 3.41Å; R122-K126 WeakPolarHBondContact O-CB 3.24Å; R122-K126 WeakPolarHBondContact O-CG 3.35Å; R122-K126 PolarHBondContact O-N 3.23Å
123N81.9Confident82.9Confident88 Ų88120.8 Ų120.847%0.47156%0.558SS.*Hα-helixtrans-69.9-42.6178.6-74.1-9.5000111.3R119 R120 K125 K126 Q127R119-N123 PolarHBondContact O-N 3.19Å; R120-N123 PolarHBondContact O-N 3.23Å; N123-K125 VanDerWaalsContact C-N 3.35Å; N123-K125 PolarHBondContact O-N 3.21Å; N123-K126 WeakPolarHBondContact O-CB 3.49Å; N123-K126 PolarHBondContact O-N 3.42Å; N123-K126 VanDerWaalsContact O-N 3.15Å; N123-Q127 WeakPolarHBondContact O-CG 3.41Å; N123-Q127 PolarHBondContact O-N 3.18Å
124E80.9Confident82.3Confident121 Ų121121.5 Ų121.557%0.56556%0.559SS**Hα-helixtrans-58.1-46.7171.9-72.9164.4-159.400110.7R120 K126 Q127 S128R120-E124 WeakPolarHBondContact O-CB 3.27Å; R120-E124 WeakPolarHBondContact O-CG 3.29Å; R120-E124 PolarHBondContact O-N 3.47Å; E124-K126 VanDerWaalsContact C-N 3.33Å; E124-K126 PolarHBondContact O-N 3.39Å; E124-Q127 PolarHBondContact O-N 2.98Å; E124-S128 WeakPolarHBondContact O-CB 3.43Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-S128 PolarHBondContact O-OG 2.96Å
125K84.3Confident81.8Confident158 Ų158123.5 Ų123.569%0.68756%0.56SS**Hα-helixtrans-61.9-36.6174.6-170.6172.3-176.5174.50113G121 N123 S128 L129G121-K125 VanDerWaalsContact O-CB 3.28Å; G121-K125 WeakPolarHBondContact O-CB 3.47Å; G121-K125 PolarHBondContact O-N 3.17Å; N123-K125 VanDerWaalsContact C-N 3.35Å; N123-K125 PolarHBondContact O-N 3.21Å; K125-S128 WeakPolarHBondContact CA-OG 3.42Å; K125-S128 PolarHBondContact O-OG 3.26Å; K125-S128 VanDerWaalsContact O-OG 3.11Å; K125-L129 VanDerWaalsContact O-CB 3.25Å; K125-L129 WeakPolarHBondContact O-CB 3.44Å; K125-L129 PolarHBondContact O-N 2.93Å
126K82.4Confident81.1Confident138 Ų138119.4 Ų119.460%0.655%0.551SS**Hα-helixtrans-69.1-39.6174.8-78.6179.4177.9-174.30111.8R122 N123 E124 K130R122-K126 WeakPolarHBondContact O-CB 3.24Å; R122-K126 WeakPolarHBondContact O-CG 3.35Å; R122-K126 PolarHBondContact O-N 3.23Å; N123-K126 WeakPolarHBondContact O-CB 3.49Å; N123-K126 PolarHBondContact O-N 3.42Å; N123-K126 VanDerWaalsContact O-N 3.15Å; E124-K126 VanDerWaalsContact C-N 3.33Å; E124-K126 PolarHBondContact O-N 3.39Å; K126-K130 WeakPolarHBondContact O-CG 3.39Å; K126-K130 PolarHBondContact O-N 2.94Å
127Q81.3Confident80Confident119 Ų119115.8 Ų115.856%0.55654%0.544SS*.Hα-helixtrans-68.2-48.1176.9-73.3-175.54.400110.8N123 E124 L129 K130 F131N123-Q127 WeakPolarHBondContact O-CG 3.41Å; N123-Q127 PolarHBondContact O-N 3.18Å; E124-Q127 PolarHBondContact O-N 2.98Å; Q127-L129 VanDerWaalsContact C-N 3.29Å; Q127-L129 PolarHBondContact O-N 3.15Å; Q127-K130 WeakPolarHBondContact O-CA 3.28Å; Q127-K130 WeakPolarHBondContact O-CB 3.27Å; Q127-K130 PolarHBondContact O-N 3.39Å; Q127-F131 WeakPolarHBondContact O-CD2 3.46Å; Q127-F131 PolarHBondContact O-N 2.95Å
128S77.9Confident78.9Confident69 Ų69116.5 Ų116.548%0.48354%0.541SS..Hα-helixtrans-60.8-38177.267.70000112E124 K125 F131 Y132E124-S128 WeakPolarHBondContact O-CB 3.43Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-S128 PolarHBondContact O-OG 2.96Å; K125-S128 WeakPolarHBondContact CA-OG 3.42Å; K125-S128 PolarHBondContact O-OG 3.26Å; K125-S128 VanDerWaalsContact O-OG 3.11Å; S128-F131 PolarHBondContact O-N 2.93Å; S128-Y132 WeakPolarHBondContact O-CB 3.33Å; S128-Y132 PolarHBondContact O-N 3.39Å
129L81.7Confident77.5Confident92 Ų92117.2 Ų117.248%0.48254%0.543SS..Hα-helixtrans-65.1-37.9172.7-171.268.3000112.6K125 Q127 Y132 R133K125-L129 VanDerWaalsContact O-CB 3.25Å; K125-L129 WeakPolarHBondContact O-CB 3.44Å; K125-L129 PolarHBondContact O-N 2.93Å; Q127-L129 VanDerWaalsContact C-N 3.29Å; Q127-L129 PolarHBondContact O-N 3.15Å; L129-Y132 PolarHBondContact O-N 2.88Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 3.21Å
130K81.1Confident76.1Confident150 Ų150117.9 Ų117.965%0.65255%0.55SS*.Hα-helixtrans-64.7-43.2173-77.7-177.8179.7-172.50111.6K126 Q127 R133 K134K126-K130 WeakPolarHBondContact O-CG 3.39Å; K126-K130 PolarHBondContact O-N 2.94Å; Q127-K130 WeakPolarHBondContact O-CA 3.28Å; Q127-K130 WeakPolarHBondContact O-CB 3.27Å; Q127-K130 PolarHBondContact O-N 3.39Å; K130-R133 PolarHBondContact O-N 3.26Å; K130-K134 PolarHBondContact O-N 2.99Å
131F76.7Confident74.7Confident121 Ų121115.5 Ų115.553%0.53155%0.55SS..Hα-helixtrans-60.4-48.5174-81.2-74.7000110.9Q127 S128 R133 K134 H135Q127-F131 WeakPolarHBondContact O-CD2 3.46Å; Q127-F131 PolarHBondContact O-N 2.95Å; S128-F131 PolarHBondContact O-N 2.93Å; F131-R133 VanDerWaalsContact C-N 3.33Å; F131-R133 PolarHBondContact O-N 3.41Å; F131-K134 PolarHBondContact O-N 3.22Å; F131-K134 VanDerWaalsContact O-N 3.1Å; F131-H135 PolarHBondContact O-CD2 2.96Å; F131-H135 PolarHBondContact O-N 2.91Å
132Y74.6Confident73.2Confident169 Ų169121.3 Ų121.366%0.66356%0.564SS**Hα-helixtrans-58.8-42.7178-167.7-93.1000112.3S128 L129 K134 H135 S136S128-Y132 WeakPolarHBondContact O-CB 3.33Å; S128-Y132 PolarHBondContact O-N 3.39Å; L129-Y132 PolarHBondContact O-N 2.88Å; Y132-K134 PolarHBondContact O-N 3.29Å; Y132-H135 PolarHBondContact O-N 3.19Å; Y132-S136 WeakPolarHBondContact O-CB 3.34Å; Y132-S136 PolarHBondContact O-N 2.89Å
133R76.7Confident71.6Confident177 Ų177121.5 Ų121.567%0.66858%0.576SS**Hα-helixtrans-61.7-42.2174.4-76.9-178.2179.7-173.6-0.5112.6L129 K130 F131 S137L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 3.21Å; K130-R133 PolarHBondContact O-N 3.26Å; F131-R133 VanDerWaalsContact C-N 3.33Å; F131-R133 PolarHBondContact O-N 3.41Å; R133-S137 PolarHBondContact O-N 3.48Å; R133-S137 VanDerWaalsContact O-N 3.08Å; R133-S137 PolarHBondContact O-OG 2.82Å
134K76.8Confident69.9Low141 Ų141126.1 Ų126.161%0.61359%0.592SS**Hα-helixtrans-64.9-40176.8-76.8-175.2176.3-173.60112.6K130 F131 Y132 S137 K138K130-K134 PolarHBondContact O-N 2.99Å; F131-K134 PolarHBondContact O-N 3.22Å; F131-K134 VanDerWaalsContact O-N 3.1Å; Y132-K134 PolarHBondContact O-N 3.29Å; K134-S137 PolarHBondContact O-OG 2.92Å; K134-K138 WeakPolarHBondContact O-CG 3.39Å; K134-K138 PolarHBondContact O-N 3.11Å
135H75.1Confident68.1Low117 Ų117124.3 Ų124.354%0.54259%0.593SS.*Hα-helixtrans-76.5-36.1178.6-70-70.8000112.4F131 Y132 K138 S139F131-H135 PolarHBondContact O-CD2 2.96Å; F131-H135 PolarHBondContact O-N 2.91Å; Y132-H135 PolarHBondContact O-N 3.19Å; H135-K138 PolarHBondContact O-N 3.03Å; H135-S139 PolarHBondContact O-N 3.48Å
136S74.8Confident65.7Low44 Ų44123 Ų12331%0.30860%0.598SS.*Hα-helixtrans-62.5-43.4174.8179.50000111.8Y132 S139 K140Y132-S136 WeakPolarHBondContact O-CB 3.34Å; Y132-S136 PolarHBondContact O-N 2.89Å; S136-S139 PolarHBondContact O-N 3.34Å; S136-S139 PolarHBondContact O-OG 2.78Å; S136-K140 PolarHBondContact O-N 3.25Å; S136-K140 VanDerWaalsContact O-N 3.09Å
137S65.6Low63.2Low62 Ų62126.3 Ų126.343%0.43461%0.607SS.*Hα-helixtrans-66-39.3175.860.10000112.6R133 K134 S139 K140 N141R133-S137 PolarHBondContact O-N 3.48Å; R133-S137 VanDerWaalsContact O-N 3.08Å; R133-S137 PolarHBondContact O-OG 2.82Å; K134-S137 PolarHBondContact O-OG 2.92Å; S137-S139 VanDerWaalsContact C-N 3.33Å; S137-S139 PolarHBondContact O-N 3.12Å; S137-K140 PolarHBondContact O-N 2.94Å; S137-N141 PolarHBondContact O-N 3.24Å; S137-N141 VanDerWaalsContact O-N 3.09Å
138K64.1Low60.7Low141 Ų141128.1 Ų128.161%0.61362%0.615SS**Hα-helixtrans-62.3-37.9172.8-73.9-178.5179.3-168.80112.7K134 H135 N141 K142K134-K138 WeakPolarHBondContact O-CG 3.39Å; K134-K138 PolarHBondContact O-N 3.11Å; H135-K138 PolarHBondContact O-N 3.03Å; K138-N141 PolarHBondContact O-N 3.44Å; K138-K142 PolarHBondContact O-N 3.06Å
139S56.2Low58.2Low67 Ų67130.6 Ų130.647%0.46963%0.628SS.*Hα-helixtrans-67.5-36.2176.971.40000112.7H135 S136 S137 N141 K142 L143H135-S139 PolarHBondContact O-N 3.48Å; S136-S139 PolarHBondContact O-N 3.34Å; S136-S139 PolarHBondContact O-OG 2.78Å; S137-S139 VanDerWaalsContact C-N 3.33Å; S137-S139 PolarHBondContact O-N 3.12Å; S139-N141 VanDerWaalsContact C-N 3.34Å; S139-K142 PolarHBondContact O-N 3.42Å; S139-L143 PolarHBondContact O-N 3.49Å
140K55.2Low55.5Low147 Ų147134.8 Ų134.864%0.63965%0.645SS**Hα-helixtrans-69.3-31173.9-72.8-172.4176.2-173.60112.8S136 S137S136-K140 PolarHBondContact O-N 3.25Å; S136-K140 VanDerWaalsContact O-N 3.09Å; S137-K140 PolarHBondContact O-N 2.94Å
141N54.3Low52.8Low115 Ų115136 Ų13662%0.61565%0.653SS**Hα-helixtrans-75.7-40.5174.4-73.84.7000111.9S137 K138 S139 L143 K144 S145S137-N141 PolarHBondContact O-N 3.24Å; S137-N141 VanDerWaalsContact O-N 3.09Å; K138-N141 PolarHBondContact O-N 3.44Å; S139-N141 VanDerWaalsContact C-N 3.34Å; N141-L143 PolarHBondContact O-N 3.27Å; N141-K144 PolarHBondContact O-N 3.15Å; N141-K144 VanDerWaalsContact O-N 3.1Å; N141-S145 PolarHBondContact O-N 2.94Å; N141-S145 VanDerWaalsContact O-N 3.08Å
142K52.5Low50.3Low157 Ų157138.9 Ų138.968%0.68367%0.668SS**Hα-helixtrans-64-38.9175.5-85-168.2172.5-1680113.1K138 S139 K144 S145 T146K138-K142 PolarHBondContact O-N 3.06Å; S139-K142 PolarHBondContact O-N 3.42Å; K142-K144 PolarHBondContact O-N 3.21Å; K142-S145 PolarHBondContact O-N 2.99Å; K142-T146 PolarHBondContact O-N 3.28Å; K142-T146 PolarHBondContact O-OG1 3.48Å
143L49.8Very low47.8Very low159 Ų159139 Ų13983%0.83268%0.675SS**Hα-helixtrans-65.8-19.4175.7-14886.8000112.6S139 N141S139-L143 PolarHBondContact O-N 3.49Å; N141-L143 PolarHBondContact O-N 3.27Å
144K46.9Very low45.3Very low184 Ų184138.4 Ų138.480%0.869%0.685SS**Hα-helixtrans-93.5-20.2174.9-79.6-171.9173.7-170.40114.5N141 K142N141-K144 PolarHBondContact O-N 3.15Å; N141-K144 VanDerWaalsContact O-N 3.1Å; K142-K144 PolarHBondContact O-N 3.21Å
145S42.3Very low42.7Very low84 Ų84141 Ų14159%0.58770%0.699SS**Hα-helixtrans-113.216.3-175.697.50000115.1N141 K142 R147N141-S145 PolarHBondContact O-N 2.94Å; N141-S145 VanDerWaalsContact O-N 3.08Å; K142-S145 PolarHBondContact O-N 2.99Å; S145-R147 PolarHBondContact O-N 3.45Å
146T33.4Very low40.3Very low130 Ų130144 Ų14480%0.79871%0.713SS**SBendtrans-82.822.1170.5-36.20000112K142K142-T146 PolarHBondContact O-N 3.28Å; K142-T146 PolarHBondContact O-OG1 3.48Å
147R29.9Very low37.7Very low207 Ų207150 Ų15078%0.78174%0.737SS**SBendtrans-126.2118.9167.5-160.1175.9-175.7163.82.5105.3S145S145-R147 PolarHBondContact O-N 3.45Å
148E28.5Very low36.1Very low157 Ų157152.6 Ų152.673%0.73475%0.752SS**SBendtrans95.9115.4169-64.6158.7-151.700117.7
149T25.6Very low34.4Very low122 Ų122153.8 Ų153.875%0.74876%0.76SS**  trans70109.8146.8-0.30000117.1
150E25.2Very low34Very low179 Ų179155.2 Ų155.284%0.83677%0.767SS**  48.8129.269.5-71.6-173.617600113.5
151E24.3Very low33.1Very low175 Ų175155.3 Ų155.382%0.81877%0.77SS**  trans96.6113.6167.7-59-17216500120.3
152E23.8Very low32.5Very low182 Ų182158.2 Ų158.285%0.8578%0.78SS**  trans82.5142.3135-74.4-170.3163.100123.6
153E22.7Very low31.8Very low171 Ų171157.9 Ų157.980%0.79978%0.781SS**  trans-54.9146.4-176.4-64.3170.8141.400113.7
154N23.9Very low31.3Very low165 Ų165158.5 Ų158.588%0.88277%0.772SS**  -177.3104129.2-95.4-56.5000109.7
155E22.6Very low30.9Very low196 Ų196155.4 Ų155.492%0.91676%0.764SS**  trans-82122.8155.1-74.6-171.8145.500108.3
156E23.7Very low31.1Very low179 Ų179156.6 Ų156.684%0.83676%0.763SS**  158.8127.7114.7-154167.1-156.100112.6
157Q22.1Very low31.5Very low171 Ų171156.2 Ų156.280%0.79975%0.753SS**  trans3.3142.3165.3-59.3-170.6-15.400122.2
158P30.7Very low32.2Very low116 Ų116152.8 Ų152.875%0.75375%0.746SS**  -146.9144.793.937.3-20.8000116
159Q29.4Very low32.6Very low167 Ų167155.1 Ų155.178%0.7875%0.748SS**  171.1110.6104.4-88.8-157.3-17.800112.9Q161Q159-Q161 PolarHBondContact O-N 3.43Å
160P46.2Very low33.4Very low96 Ų96155 Ų15562%0.62374%0.739SS**  trans-99.268.9-174.537.5-34000114.2
161Q37.3Very low34.2Very low150 Ų150153.5 Ų153.570%0.70173%0.729SS**SBendtrans-117-15.2174.3-113.6174.9-14.600115.6Q159Q159-Q161 PolarHBondContact O-N 3.43Å
162Q41Very low35Very low176 Ų176150.5 Ų150.582%0.82272%0.719SS**SBendtrans-92.4-15.8177.6-79-176.9-6.600114.8
163E38Very low35.8Very low150 Ų150148.7 Ų148.770%0.70171%0.711SS**SBendtrans-82.1-28.7179.6-101.2172.8163.200113.8D165 L166 E167E163-D165 PolarHBondContact O-N 3Å; E163-L166 PolarHBondContact O-N 2.9Å; E163-E167 PolarHBondContact O-N 3.49Å
164R40.5Very low36.8Very low171 Ų171144.9 Ų144.965%0.64570%0.698SS**Hα-helixtrans-66.7-34.9-179-85.7-164.8-85.5-178.4-6.4113.9L166 Q168R164-L166 VanDerWaalsContact C-N 3.29Å; R164-L166 PolarHBondContact O-N 3.09Å; R164-Q168 PolarHBondContact O-N 3.48Å
165D38.3Very low37.3Very low119 Ų119142.8 Ų142.864%0.63669%0.687SS**Hα-helixtrans-71.4-24.2178.7-74.3-16.9000113.1E163E163-D165 PolarHBondContact O-N 3Å
166L45.4Very low37.5Very low109 Ų109140.9 Ų140.957%0.57168%0.678SS**Hα-helixtrans-81.2-36.8179-100.5151.7000112.2E163 R164 Q170E163-L166 PolarHBondContact O-N 2.9Å; R164-L166 VanDerWaalsContact C-N 3.29Å; R164-L166 PolarHBondContact O-N 3.09Å; L166-Q170 PolarHBondContact O-N 2.91Å
167E42.8Very low38.1Very low123 Ų123138.3 Ų138.358%0.57567%0.67SS**Hα-helixtrans-70-32.9177.5-73.1-167.615000112.8E163 Q170 K171E163-E167 PolarHBondContact O-N 3.49Å; E167-Q170 PolarHBondContact O-N 2.92Å; E167-K171 PolarHBondContact O-N 3.48Å
168Q43.2Very low38.9Very low135 Ų135136.9 Ų136.963%0.63166%0.663SS**Hα-helixtrans-71.7-37.1-179.1-145.8157.64.900111.6R164 Q170 K171 D172R164-Q168 PolarHBondContact O-N 3.48Å; Q168-Q170 VanDerWaalsContact C-N 3.35Å; Q168-Q170 PolarHBondContact O-N 3.29Å; Q168-K171 PolarHBondContact O-N 2.89Å; Q168-D172 PolarHBondContact O-N 2.86Å
169R38.3Very low39.1Very low206 Ų206137.9 Ų137.978%0.77766%0.662SS**Hα-helixtrans-66.6-31.4172.4-79.6-171.1173.7-157.9-1113.9E173R169-E173 PolarHBondContact O-N 3.22Å
170Q41.1Very low39.4Very low120 Ų120136.8 Ų136.856%0.56166%0.661SS**Hα-helixtrans-76-29.2178.9-74.1-176.919.200112.8L166 E167 Q168 V174L166-Q170 PolarHBondContact O-N 2.91Å; E167-Q170 PolarHBondContact O-N 2.92Å; Q168-Q170 VanDerWaalsContact C-N 3.35Å; Q168-Q170 PolarHBondContact O-N 3.29Å; Q170-V174 VanDerWaalsContact O-CG2 3.28Å; Q170-V174 WeakPolarHBondContact O-CG2 3.4Å; Q170-V174 PolarHBondContact O-N 2.86Å
171K43Very low38.7Very low147 Ų147140.5 Ų140.564%0.63967%0.671SS**Hα-helixtrans-71.1-36.8175.4-76.6179.5178.7173.60112.6E167 Q168 E173 V174 L175E167-K171 PolarHBondContact O-N 3.48Å; Q168-K171 PolarHBondContact O-N 2.89Å; K171-E173 VanDerWaalsContact C-N 3.33Å; K171-E173 PolarHBondContact O-N 3.13Å; K171-V174 PolarHBondContact O-N 3.42Å; K171-L175 PolarHBondContact O-N 3.41Å
172D42Very low38.2Very low112 Ų112139.5 Ų139.560%0.59968%0.675SS**Hα-helixtrans-70.1-29.9178.4-67.7-18.8000112.4Q168Q168-D172 PolarHBondContact O-N 2.86Å
173E39.7Very low37.7Very low144 Ų144138.7 Ų138.767%0.67367%0.674SS**Hα-helixtrans-76.5-34.4177.5-152.8170-164.800112R169 K171 L175 H176R169-E173 PolarHBondContact O-N 3.22Å; K171-E173 VanDerWaalsContact C-N 3.33Å; K171-E173 PolarHBondContact O-N 3.13Å; E173-L175 PolarHBondContact O-N 3.07Å; E173-H176 PolarHBondContact O-N 2.76Å
174V43.8Very low37.1Very low90 Ų90137.3 Ų137.355%0.54568%0.681SS.*Hα-helixtrans-71.3-29.3177.8173.90000112.6Q170 K171 H176Q170-V174 VanDerWaalsContact O-CG2 3.28Å; Q170-V174 WeakPolarHBondContact O-CG2 3.4Å; Q170-V174 PolarHBondContact O-N 2.86Å; K171-V174 PolarHBondContact O-N 3.42Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 3.48Å
175L33.9Very low36.4Very low122 Ų122134.5 Ų134.564%0.63969%0.688SS**Hα-helixtrans-70.9-23.5177.1-98.2157.8000113.2K171 E173K171-L175 PolarHBondContact O-N 3.41Å; E173-L175 PolarHBondContact O-N 3.07Å
176H27.6Very low35.8Very low156 Ų156137.8 Ų137.872%0.72270%0.7SS**Hα-helixtrans-87.6-25.7-177.9-110.7-23.9000114.6E173 V174E173-H176 PolarHBondContact O-N 2.76Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 3.48Å
177D36.6Very low35Very low125 Ų125140.6 Ų140.667%0.66871%0.712SS**Hα-helixtrans-86.3-18.9-178.4-85.6-18.9000114.2N179D177-N179 VanDerWaalsContact C-N 3.31Å; D177-N179 PolarHBondContact O-N 2.83Å
178Q37.8Very low34Very low140 Ų140145 Ų14565%0.65473%0.729SS**THydrogen-bonded Turntrans-73-15.6-178.8-78.2-172-5.100115.1N180Q178-N180 PolarHBondContact O-N 3.11Å
179N34.5Very low33.4Very low137 Ų137144.8 Ų144.873%0.73373%0.732SS**THydrogen-bonded Turntrans-86.2-1.4-177.3-74.2-19000114.7D177D177-N179 VanDerWaalsContact C-N 3.31Å; D177-N179 PolarHBondContact O-N 2.83Å
180N36.4Very low32.7Very low144 Ų144140.3 Ų140.377%0.7773%0.727SS**SBendtrans-115.40.4-176.2-80.9-21.6000116.2Q178Q178-N180 PolarHBondContact O-N 3.11Å
181E32.3Very low31.9Very low175 Ų175142 Ų14282%0.81874%0.74SS**SBendtrans-1051.2-177.4-76.3-166.7155.600116.2I183E181-I183 PolarHBondContact O-N 2.91Å
182T27.1Very low31.2Very low128 Ų128142.8 Ų142.879%0.78575%0.746SS**SBendtrans-864.5-177.7-37.80000114.8
183I28.6Very low30.5Very low159 Ų159144.4 Ų144.482%0.81575%0.754SS**SBendtrans-136.171.9177.8-44.9176.2000111.5E181E181-I183 PolarHBondContact O-N 2.91Å
184S26.4Very low30Very low122 Ų122143.1 Ų143.185%0.85376%0.758SS**  trans-177.161.6148.6-87.40000110.8
185S26.5Very low29.3Very low112 Ų112144.2 Ų144.278%0.78377%0.765SS**  trans-103.3133.6156.8-590000107.2
186E24.3Very low29.2Very low188 Ų188145.3 Ų145.388%0.87977%0.77SS**  trans88.379.1174-54.5-167.914900118.4
187M28.7Very low29.3Very low168 Ų168141 Ų14183%0.82876%0.758SS**  -148.488.4124.5-77.5-160.5104.100109.6L189M187-L189 HydrophobicContact CE-CD1 3.74Å; M187-L189 PolarHBondContact O-N 3.31Å
188K23.2Very low29.5Very low214 Ų214139.8 Ų139.893%0.9376%0.757SS**  trans-71100157.5-88.8175.7174.2172.20107.8
189L28.8Very low29.1Very low132 Ų132142 Ų14269%0.69176%0.764SS**  trans-127.794163.9-92.6163.8000110.3M187M187-L189 HydrophobicContact CE-CD1 3.74Å; M187-L189 PolarHBondContact O-N 3.31Å
190T23.7Very low28.9Very low111 Ų111141.9 Ų141.968%0.68176%0.763SS**  trans4.6116.1146.538.80000119.2Q192T190-Q192 PolarHBondContact O-N 3.33Å
191N26Very low28.6Very low155 Ų155140.1 Ų140.183%0.82976%0.76SS**  trans19.990.5136.4-67.2-24.3000117.2
192Q26.7Very low28.5Very low165 Ų165138.2 Ų138.277%0.77176%0.76SS**  trans-122.2102149.6-67.5-168.617.900108.2T190T190-Q192 PolarHBondContact O-N 3.33Å
193L27.2Very low28.6Very low145 Ų145139.5 Ų139.576%0.75976%0.76SS**  trans-55131.6171.4-88.788.6000109.4V195L193-V195 PolarHBondContact O-N 2.92Å
194P29.3Very low28.6Very low117 Ų117141.6 Ų141.676%0.7676%0.758SS**  trans-68.3107171.4-9.424.2000108.6L196P194-L196 VanDerWaalsContact C-N 3.34Å; P194-L196 PolarHBondContact O-N 3.18Å
195V29Very low28.8Very low114 Ų114141 Ų14169%0.69175%0.754SS**  trans-63.997.9167.5177.60000107.5L193 S197L193-V195 PolarHBondContact O-N 2.92Å; V195-S197 PolarHBondContact O-N 2.91Å
196L31.8Very low28.8Very low145 Ų145142.8 Ų142.876%0.75976%0.755SS**  trans-53.5115.3173.8-90135.7000109.7P194P194-L196 VanDerWaalsContact C-N 3.34Å; P194-L196 PolarHBondContact O-N 3.18Å
197S30.2Very low29Very low66 Ų66142.1 Ų142.146%0.46275%0.751SS.*  trans-61.5135.1177.459.30000110.8V195 F199V195-S197 PolarHBondContact O-N 2.91Å; S197-F199 PolarHBondContact O-N 2.89Å
198P39.8Very low29.1Very low99 Ų99141.4 Ų141.464%0.64375%0.749SS**THydrogen-bonded Turntrans-736.2-173.327.6-34.1000115.9
199F31.2Very low29.4Very low185 Ų185136.4 Ų136.481%0.81174%0.736SS**THydrogen-bonded Turntrans-1167.4-169.8-68.6-71.2000115.9S197S197-F199 PolarHBondContact O-N 2.89Å
200L28.9Very low29.4Very low135 Ų135134.3 Ų134.371%0.70773%0.733SS**SBendtrans-104124.4174-76.9162.2000110.4V202L200-V202 PolarHBondContact O-N 2.83Å
201P29.8Very low29.5Very low108 Ų108137 Ų13770%0.70174%0.742SS**  trans-64131.5170.825-29.7000109.5I203P201-I203 PolarHBondContact O-N 3.11Å
202V32.1Very low29.5Very low135 Ų135135.7 Ų135.782%0.81874%0.74SS**  trans-66.998.6171177.80000107.1L200 R204L200-V202 PolarHBondContact O-N 2.83Å; V202-R204 PolarHBondContact O-N 3.37Å
203I27.7Very low29.7Very low154 Ų154133.2 Ų133.279%0.7974%0.741SS**  trans-66.6104.9174.2-58.3173.7000106.8P201 S205P201-I203 PolarHBondContact O-N 3.11Å; I203-S205 PolarHBondContact O-N 3.36Å
204R28.9Very low29.7Very low204 Ų204133.9 Ų133.977%0.7775%0.745SS**  trans-70.7116.9169.7-69.3-169.7177.4-175.60.6107.3V202 N206V202-R204 PolarHBondContact O-N 3.37Å; R204-N206 PolarHBondContact O-N 2.91Å
205S30.2Very low29.7Very low110 Ų110139.6 Ų139.677%0.76975%0.752SS**THydrogen-bonded Turntrans-73.730.9-175.253.60000115I203I203-S205 PolarHBondContact O-N 3.36Å
206N27.2Very low29.6Very low149 Ų149141.2 Ų141.280%0.79776%0.757SS**THydrogen-bonded Turntrans-1172.9-177.1-73.617.7000115R204R204-N206 PolarHBondContact O-N 2.91Å
207E28.1Very low29.4Very low173 Ų173139.8 Ų139.881%0.80875%0.754SS**  trans-110.597.2166.5-89.7177.8155.600109.4V209E207-V209 HydrophobicContact CB-CG2 4.32Å; E207-V209 PolarHBondContact O-N 3.3Å
208I31.6Very low29.2Very low154 Ų154142.1 Ų142.179%0.7977%0.765SS**  trans-6789.5161-60.5168.5000105.4S210I208-S210 VanDerWaalsContact C-N 3.26Å; I208-S210 PolarHBondContact O-N 2.95Å
209V29.1Very low28.5Very low108 Ų108146.1 Ų146.166%0.65578%0.775SS**  trans-75.590.1167-178.30000106.3E207 L211E207-V209 HydrophobicContact CB-CG2 4.32Å; E207-V209 PolarHBondContact O-N 3.3Å; V209-L211 PolarHBondContact O-N 2.82Å
210S28.1Very low28.3Very low89 Ų89142.4 Ų142.462%0.62277%0.772SS**  trans-62.5103.5170.8-60.50000108.8I208 T212I208-S210 VanDerWaalsContact C-N 3.26Å; I208-S210 PolarHBondContact O-N 2.95Å; S210-T212 PolarHBondContact O-N 3.44Å
211L27.1Very low28Very low166 Ų166142.3 Ų142.387%0.86978%0.777SS**SBendtrans-74.446.5174.7-81.5159000111.8V209V209-L211 PolarHBondContact O-N 2.82Å
212T26.4Very low27.8Very low129 Ų129144.5 Ų144.579%0.79178%0.782SS**  trans-153.678.7171.350.80000110.8S210S210-T212 PolarHBondContact O-N 3.44Å
213S30Very low27.4Very low113 Ų113146.3 Ų146.379%0.7978%0.778SS**  trans-164.6111.1152.3-177.20000110.7R215S213-R215 PolarHBondContact O-N 3.11Å
214N28.3Very low27.2Very low158 Ų158146.9 Ų146.985%0.84578%0.783SS**  trans-62.5123.1162.5-69.1-33.1000109
215R28.2Very low27Very low237 Ų237141 Ų14189%0.89478%0.778SS**  trans-171.9103.8139.8-105.6166.5-172.1-172.52.6112.4S213S213-R215 PolarHBondContact O-N 3.11Å
216N27.9Very low26.7Very low149 Ų149144.4 Ų144.480%0.79778%0.782SS**  trans-0.1121.1133.1-64.9-10.7000117.1
217T26.5Very low26.6Very low115 Ų115147.2 Ų147.271%0.70679%0.787SS**  trans71.7115.5130.3-21.30000120.2
218T25.7Very low26.4Very low114 Ų114147.4 Ų147.470%0.69979%0.786SS**  trans70.5110.814449.40000121.7
219E25.7Very low26Very low183 Ų183149.9 Ų149.986%0.85579%0.794SS**  59100.3127.7-64.9179.8173.100120.8
220S26.7Very low25.7Very low107 Ų107147.6 Ų147.675%0.74879%0.792SS**  170.3103.7126.744.10000108.2
221V23.2Very low25.5Very low134 Ų134152 Ų15281%0.81280%0.803SS**  35.579.895.1-167.90000114.2
222I26.2Very low25.7Very low154 Ų154151 Ų15179%0.7980%0.797SS**  trans-14186.4144.4-56.8-179000105.1
223K22Very low25.6Very low172 Ų172151.7 Ų151.775%0.74880%0.796SS**  35103.5103.4-80.8-170.4176.4-177.90114A225K223-A225 PolarHBondContact O-N 2.82Å
224D23.9Very low25.7Very low166 Ų166151.2 Ų151.289%0.88879%0.788SS**  trans36.477.9138.3-56.2-28.8000116.1
225A25.2Very low25.8Very low81 Ų81152.2 Ų152.267%0.66979%0.788SS**  trans-116.7109.515500000108.4K223 F227K223-A225 PolarHBondContact O-N 2.82Å; A225-F227 PolarHBondContact O-N 3.08Å
226E22.8Very low26Very low182 Ų182148.2 Ų148.285%0.8578%0.784SS**  trans-39.794.8168.2-60.3172.1149.100112.4K228E226-K228 PolarHBondContact O-N 3.35Å
227F26.1Very low26.3Very low207 Ų207148.7 Ų148.791%0.90878%0.784SS**  trans-85.893.6165.2-113.2-87.5000109.4A225 Q229A225-F227 PolarHBondContact O-N 3.08Å; F227-Q229 PolarHBondContact O-N 3.41Å
228K24.1Very low26.6Very low177 Ų177152.2 Ų152.277%0.7779%0.79SS**  trans-51.3121.7165.6-67.8-166.8174.8-177.20110.6E226 G230E226-K228 PolarHBondContact O-N 3.35Å; K228-G230 PolarHBondContact O-N 3.36Å
229Q23.1Very low26.9Very low206 Ų206152.1 Ų152.196%0.96379%0.791SS**  trans24.771.3131.5-145.5164.321.900115.7F227F227-Q229 PolarHBondContact O-N 3.41Å
230G22.8Very low27.5Very low60 Ų60148.6 Ų148.662%0.61978%0.778SS**  trans-119.9120167.700000109K228 I232K228-G230 PolarHBondContact O-N 3.36Å; G230-I232 PolarHBondContact O-N 2.87Å
231Q23.9Very low27.9Very low182 Ų182149 Ų14985%0.8577%0.771SS**  trans-46.6114.5178.9-70.3162.4-33.600112
232I30.3Very low28.9Very low144 Ų144146.5 Ų146.574%0.73876%0.759SS**  trans-107.697.1159-49.1176.1000105.7G230 T234G230-I232 PolarHBondContact O-N 2.87Å; I232-T234 HydrophobicContact CG2-CG2 3.94Å; I232-T234 PolarHBondContact O-N 3.49Å
233N25.6Very low29.6Very low144 Ų144142.6 Ų142.677%0.7775%0.745SS**  trans-68.476.2164.5-70.2-25.7000108E235N233-E235 PolarHBondContact O-N 3.04Å; N233-E235 VanDerWaalsContact O-N 3.08Å
234T32.3Very low29.9Very low103 Ų103143.1 Ų143.163%0.63274%0.743SS**  trans-76.786.3158.838.80000106.8I232 L236I232-T234 HydrophobicContact CG2-CG2 3.94Å; I232-T234 PolarHBondContact O-N 3.49Å; T234-L236 PolarHBondContact O-N 3.27Å
235E30.1Very low30.4Very low179 Ų179139.9 Ų139.984%0.83673%0.725SS**  trans-54.797.6151.4-70.4-173.3164.900106.2N233 I237N233-E235 PolarHBondContact O-N 3.04Å; N233-E235 VanDerWaalsContact O-N 3.08Å; E235-I237 PolarHBondContact O-N 2.92Å
236L32.8Very low31.1Very low154 Ų154143.4 Ų143.481%0.80673%0.728SS**  trans-55.2107.3171.8-88.7109.8000107T234 K238T234-L236 PolarHBondContact O-N 3.27Å; L236-K238 PolarHBondContact O-N 3.42Å
237I34.2Very low32Very low159 Ų159139.8 Ų139.882%0.81572%0.718SS**  trans-49.9110.8169-64.6165.9000106.3E235 P239E235-I237 PolarHBondContact O-N 2.92Å; I237-P239 WeakPolarHBondContact O-CD 3.35Å
238K32Very low32.5Very low189 Ų189134.7 Ų134.782%0.82270%0.699SS**  trans-59.2121.5175.8-77.4176.7178.8173.10107.3L236 N240L236-K238 PolarHBondContact O-N 3.42Å; K238-N240 PolarHBondContact O-N 3.49Å
239P31.8Very low33Very low111 Ų111132.9 Ų132.972%0.72170%0.698SS**  trans-60.7130.117523.4-30.7000108.9I237 I241I237-P239 WeakPolarHBondContact O-CD 3.35Å; P239-I241 PolarHBondContact O-N 3.4Å
240N38.9Very low33.4Very low110 Ų110132 Ų13259%0.58869%0.694SS**  trans-73.395.5178.5-172.80.4000109K238 S242 S243K238-N240 PolarHBondContact O-N 3.49Å; N240-S242 PolarHBondContact O-N 3.16Å; N240-S242 PolarHBondContact OD1-N 2.91Å; N240-S243 PolarHBondContact O-N 2.91Å
241I35.7Very low33.7Very low115 Ų115132.3 Ų132.359%0.5970%0.697SS**Hα-helixtrans-61.3-27.6-176.3-62.9162.5000111.6P239 S243 W244 L245P239-I241 PolarHBondContact O-N 3.4Å; I241-S243 VanDerWaalsContact C-N 3.34Å; I241-S243 PolarHBondContact O-N 2.89Å; I241-W244 PolarHBondContact O-N 2.98Å; I241-W244 VanDerWaalsContact O-N 3.17Å; I241-L245 HydrophobicContact CG2-CD1 3.87Å; I241-L245 HydrophobicContact CG2-CG 4.44Å; I241-L245 PolarHBondContact O-N 3.36Å
242S42.3Very low33.9Very low82 Ų82132.6 Ų132.657%0.57370%0.698SS**Hα-helixtrans-62.4-38.5-176.3-56.20000112.8N240 W244 L245 E246N240-S242 PolarHBondContact O-N 3.16Å; N240-S242 PolarHBondContact OD1-N 2.91Å; S242-W244 VanDerWaalsContact C-N 3.28Å; S242-W244 PolarHBondContact O-N 3.44Å; S242-L245 PolarHBondContact O-N 2.92Å; S242-E246 PolarHBondContact O-N 3.25Å
243S42.2Very low33.7Very low71 Ų71133.2 Ų133.250%0.49770%0.704SS.*Hα-helixtrans-69.6-25.6179.2-43.30000113.2N240 I241 T247N240-S243 PolarHBondContact O-N 2.91Å; I241-S243 VanDerWaalsContact C-N 3.34Å; I241-S243 PolarHBondContact O-N 2.89Å; S243-T247 PolarHBondContact O-OG1 3.34Å
244W28.2Very low33.8Very low184 Ų184134.4 Ų134.470%0.69771%0.71SS**Hα-helixtrans-86.3-28.1-178.4-161.467.6000112.4I241 S242 T247 I248I241-W244 PolarHBondContact O-N 2.98Å; I241-W244 VanDerWaalsContact O-N 3.17Å; S242-W244 VanDerWaalsContact C-N 3.28Å; S242-W244 PolarHBondContact O-N 3.44Å; W244-T247 PolarHBondContact O-OG1 3.48Å; W244-I248 HydrophobicContact CE3-CD1 4.23Å; W244-I248 HydrophobicContact CH2-CD1 4.32Å; W244-I248 HydrophobicContact CZ3-CD1 4.11Å
245L33.4Very low33.5Very low97 Ų97133.7 Ų133.751%0.50872%0.715SS.*Hα-helixtrans-75.9-32174.6-82.4165000112.7I241 S242 T247 I248I241-L245 HydrophobicContact CG2-CD1 3.87Å; I241-L245 HydrophobicContact CG2-CG 4.44Å; I241-L245 PolarHBondContact O-N 3.36Å; S242-L245 PolarHBondContact O-N 2.92Å; L245-T247 PolarHBondContact O-N 2.88Å; L245-I248 PolarHBondContact O-N 3.3Å
246E40.1Very low33.2Very low155 Ų155132.2 Ų132.272%0.72471%0.712SS**Hα-helixtrans-62.2-30.9175.2-82.2-179.7164.400112.5S242 I248S242-E246 PolarHBondContact O-N 3.25Å; E246-I248 VanDerWaalsContact C-N 3.29Å; E246-I248 PolarHBondContact O-N 2.91Å
247T41.2Very low33.2Very low106 Ų106133.1 Ų133.165%0.6572%0.718SS**THydrogen-bonded Turntrans-77.1-10.1-179.112.10000114.4S243 W244 L245S243-T247 PolarHBondContact O-OG1 3.34Å; W244-T247 PolarHBondContact O-OG1 3.48Å; L245-T247 PolarHBondContact O-N 2.88Å
248I37.6Very low32.7Very low100 Ų100134.7 Ų134.751%0.51372%0.722SS.*THydrogen-bonded Turntrans-97.6-19-176.9-61.5175.6000112.1W244 L245 E246W244-I248 HydrophobicContact CE3-CD1 4.23Å; W244-I248 HydrophobicContact CH2-CD1 4.32Å; W244-I248 HydrophobicContact CZ3-CD1 4.11Å; L245-I248 PolarHBondContact O-N 3.3Å; E246-I248 VanDerWaalsContact C-N 3.29Å; E246-I248 PolarHBondContact O-N 2.91Å
249N33.6Very low32.3Very low140 Ų140134.9 Ų134.975%0.74973%0.726SS**SBendtrans-93.16.2-176.4-73.6-21.5000115G251N249-G251 PolarHBondContact O-N 3.49Å
250E31.7Very low31.9Very low187 Ų187133.9 Ų133.987%0.87473%0.727SS**  trans-97.680168.6-68.9-167.3174.800110.5
251G29Very low31.3Very low67 Ų67134.7 Ų134.769%0.69174%0.738SS**  trans-164.561.2176.100000110.3N249N249-G251 PolarHBondContact O-N 3.49Å
252E28.5Very low30.7Very low187 Ų187138.6 Ų138.687%0.87475%0.751SS**  trans-54.9141.8178.9-75.2-178.3145.200113.3N254E252-N254 PolarHBondContact O-N 2.9Å
253D26Very low29.9Very low158 Ų158140.8 Ų140.885%0.84576%0.763SS**  trans-56112.7175.2-70.5-52.6000112.6A255D253-A255 PolarHBondContact O-N 3.28Å
254N28.6Very low29.2Very low168 Ų168143.2 Ų143.290%0.89878%0.78SS**  trans-83.888.8160.4-81-62.9000109.5E252 N256E252-N254 PolarHBondContact O-N 2.9Å; N254-N256 PolarHBondContact O-N 2.81Å
255A24.9Very low29Very low89 Ų89143.8 Ų143.874%0.73679%0.788SS**  trans-77.986.8167.100000110.6D253D253-A255 PolarHBondContact O-N 3.28Å
256N25.5Very low28.6Very low147 Ų147146.6 Ų146.679%0.78680%0.802SS**  trans-176.399.4150-108.1-21.9000109.9N254N254-N256 PolarHBondContact O-N 2.81Å
257D31Very low27.8Very low173 Ų173145.4 Ų145.493%0.92580%0.801SS**  trans-16958.4150.1-89.1-24000107.2
258Q23.8Very low27.1Very low192 Ų192146.2 Ų146.290%0.89781%0.806SS**  trans-100.998.9158.1-78.7-160.213.500107.9
259E23.5Very low27.1Very low193 Ų193146.9 Ų146.990%0.90282%0.817SS**  trans-140.1105.6148.1-125.3-176.4-179.600109.4
260A23.7Very low26.7Very low91 Ų91146.6 Ų146.675%0.75282%0.824SS**PPolyproline II helixtrans-76.7126.7174.600000109.6K262A260-K262 PolarHBondContact O-N 3.47Å
261P26.8Very low26.6Very low127 Ų127142.4 Ų142.483%0.82582%0.815SS**PPolyproline II helixtrans-75.8119.2174.722.4-19.4000110.2
262K23.1Very low26.8Very low196 Ų196147 Ų14785%0.85282%0.823SS**PPolyproline II helixtrans-66.2137.4169.6-77173.6177.51700110.4A260A260-K262 PolarHBondContact O-N 3.47Å
263P26.3Very low27Very low128 Ų128146.4 Ų146.483%0.83182%0.82SS**PPolyproline II helixtrans-84.9116.5-179.731.9-30.5000111
264S26.8Very low27.2Very low123 Ų123145.5 Ų145.586%0.8681%0.81SS**PPolyproline II helixtrans-94.4132.7168.144.20000111
265K22.9Very low27.5Very low196 Ų196144.6 Ų144.685%0.85281%0.805SS**PPolyproline II helixtrans-72.4150.2-178.9-61.8165.9176176.90111.8
266L25.4Very low27.8Very low155 Ų155148.7 Ų148.781%0.81281%0.813SS**  trans172.6134.2152-85.6145.8000104.6
267D24.4Very low28.2Very low130 Ų130148.6 Ų148.670%0.69581%0.808SS**  cis-168.7133-0.8-114.9-2.1000108.5
268T26.1Very low28.4Very low124 Ų124144.5 Ų144.576%0.76179%0.793SS**  trans61163.6139.670000122.4
269P36.6Very low29Very low114 Ų114143.6 Ų143.674%0.7479%0.786SS**  -123.6160.3-123.434.2-12.2000114.1
270C26.2Very low29.4Very low133 Ų133144.5 Ų144.590%0.89978%0.783SS**  trans-138.4116.8166.5-119.60000113.3
271S29.2Very low30Very low99 Ų99144.8 Ų144.869%0.69278%0.779SS**  trans74.9102.9140.2-151.80000119.7Q273S271-Q273 PolarHBondContact O-N 3.49Å; S271-Q273 VanDerWaalsContact O-N 3.11Å
272I33.4Very low30.6Very low164 Ų164144.1 Ų144.184%0.84177%0.768SS**  trans-59.895.7157.7-60.4160.2000108.3
273Q32Very low31.3Very low174 Ų174140.3 Ų140.381%0.81376%0.764SS**  trans-150.97.5161.8-113.7174.122.300115.6S271S271-Q273 PolarHBondContact O-N 3.49Å; S271-Q273 VanDerWaalsContact O-N 3.11Å
274H31Very low31.9Very low140 Ų140142.3 Ų142.365%0.64876%0.763SS**  trans-108.610.7179.7-119.1-80.3000115.7L276 Q277H274-L276 PolarHBondContact O-N 3.21Å; H274-Q277 PolarHBondContact CE1-OE1 3.41Å
275L35.8Very low33Very low149 Ų149143.3 Ų143.378%0.7875%0.752SS**THydrogen-bonded Turntrans-70.4-10.9-175.9-156.771.6000114.3
276L30.4Very low34.4Very low175 Ų175137.5 Ų137.592%0.91673%0.73SS**THydrogen-bonded Turntrans-107.91.5-176.9-77.5165.7000116H274H274-L276 PolarHBondContact O-N 3.21Å
277Q33.3Very low35.7Very low144 Ų144137.3 Ų137.367%0.67373%0.725SS**SBendtrans-99.17.7171.7-75.4-169.4-0.100114.2H274 K279H274-Q277 PolarHBondContact CE1-OE1 3.41Å; Q277-K279 PolarHBondContact O-N 3.03Å
278S35.6Very low37.2Very low88 Ų88135.4 Ų135.462%0.61572%0.718SS**SBendtrans-84-3.9-17477.70000116
279K37.5Very low38.6Very low173 Ų173136.8 Ų136.875%0.75271%0.709SS**SBendtrans-99.3-18.1-173.7-74.7-169.6177-177.10116.4Q277Q277-K279 PolarHBondContact O-N 3.03Å
280Y31.4Very low39.8Very low211 Ų211138.7 Ų138.783%0.82771%0.708SS**SBendtrans-140.4112.9-179-61.3-78.9000111
281S35.9Very low42Very low97 Ų97134.5 Ų134.568%0.67868%0.68SS**SBendtrans127.56.4154.994.20000119
282I38.9Very low44Very low114 Ų114136.1 Ų136.159%0.58568%0.68SS**SBendtrans-87.5-23.3174.6-61174.5000112.5N286I282-N286 WeakPolarHBondContact CG2-ND2 3.48Å; I282-N286 PolarHBondContact O-ND2 2.87Å
283C38.7Very low45.7Very low115 Ų115130.8 Ų130.878%0.77766%0.66SS**Hα-helixtrans-70.3-34.9-173.5-77.40000114.9
284E38.7Very low47.7Very low171 Ų171126 Ų12680%0.79964%0.635SS**Hα-helixtrans-78.8-29.8-177-74-172.5152.200114N286 T288E284-N286 PolarHBondContact O-N 3.35Å; E284-T288 PolarHBondContact O-OG1 2.69Å
285K49.9Very low49.6Very low144 Ų144122.4 Ų122.463%0.62663%0.626SS**Hα-helixtrans-77.7-20.3-177.4-71.5-178179.5174.40113.6T288 R289K285-T288 PolarHBondContact O-OG1 3.31Å; K285-R289 WeakPolarHBondContact O-CG 3.29Å; K285-R289 PolarHBondContact O-N 2.98Å
286N51.3Low51.5Low73 Ų73119 Ų11939%0.3961%0.608SS.*Hα-helixtrans-84.6-34.6-175.2-74.1-21.1000113.3I282 E284 R289 Q290I282-N286 WeakPolarHBondContact CG2-ND2 3.48Å; I282-N286 PolarHBondContact O-ND2 2.87Å; E284-N286 PolarHBondContact O-N 3.35Å; N286-R289 PolarHBondContact O-N 3.21Å; N286-Q290 WeakPolarHBondContact O-CG 3.41Å; N286-Q290 PolarHBondContact O-N 3.02Å
287Q54.4Low53.7Low151 Ų151115.1 Ų115.171%0.70659%0.587SS**Hα-helixtrans-66-40.4177.1-85.3178.5-10.900112.2R289 Q290 S291Q287-R289 VanDerWaalsContact C-N 3.34Å; Q287-R289 PolarHBondContact O-N 2.74Å; Q287-Q290 PolarHBondContact O-N 2.99Å; Q287-S291 PolarHBondContact O-N 3.18Å; Q287-S291 VanDerWaalsContact O-N 3.16Å
288T54.6Low55.8Low90 Ų90115.8 Ų115.855%0.55258%0.583SS**Hα-helixtrans-62.9-40.6173.935.50000111.7E284 K285 Q290 S291 Y294E284-T288 PolarHBondContact O-OG1 2.69Å; K285-T288 PolarHBondContact O-OG1 3.31Å; T288-Q290 VanDerWaalsContact C-N 3.31Å; T288-Q290 PolarHBondContact O-N 3.45Å; T288-S291 WeakPolarHBondContact O-CB 3.28Å; T288-S291 PolarHBondContact O-N 2.86Å; T288-S291 PolarHBondContact O-OG 2.91Å; T288-Y294 WeakPolarHBondContact O-CB 3.34Å
289R56.3Low57.7Low153 Ų153116.9 Ų116.958%0.57758%0.579SS**Hα-helixtrans-67.7-24.4175.5-75.3-177173.5-154.2-0.5114.5K285 N286 Q287 Y294K285-R289 WeakPolarHBondContact O-CG 3.29Å; K285-R289 PolarHBondContact O-N 2.98Å; N286-R289 PolarHBondContact O-N 3.21Å; Q287-R289 VanDerWaalsContact C-N 3.34Å; Q287-R289 PolarHBondContact O-N 2.74Å; R289-Y294 HydrophobicContact CB-CD1 4.27Å; R289-Y294 HydrophobicContact CB-CE1 4.07Å; R289-Y294 HydrophobicContact CG-CD1 4.46Å; R289-Y294 HydrophobicContact CG-CE1 3.92Å; R289-Y294 HydrophobicContact CG-CE2 4.32Å; R289-Y294 WeakPolarHBondContact O-CD1 3.29Å
290Q60.9Low59.6Low154 Ų154115.8 Ų115.872%0.7257%0.57SS**Hα-helixtrans-87.8-12.3176-72.4177.78.800113.3N286 Q287 T288N286-Q290 WeakPolarHBondContact O-CG 3.41Å; N286-Q290 PolarHBondContact O-N 3.02Å; Q287-Q290 PolarHBondContact O-N 2.99Å; T288-Q290 VanDerWaalsContact C-N 3.31Å; T288-Q290 PolarHBondContact O-N 3.45Å
291S72.8Confident62Low45 Ų45111 Ų11132%0.31556%0.555SS.*SBendtrans-61.6140.4178.4730000111.6Q287 T288 A293 Y294 S295Q287-S291 PolarHBondContact O-N 3.18Å; Q287-S291 VanDerWaalsContact O-N 3.16Å; T288-S291 WeakPolarHBondContact O-CB 3.28Å; T288-S291 PolarHBondContact O-N 2.86Å; T288-S291 PolarHBondContact O-OG 2.91Å; S291-A293 PolarHBondContact O-N 3.49Å; S291-Y294 PolarHBondContact O-N 2.87Å; S291-Y294 VanDerWaalsContact O-N 3.12Å; S291-Y294 VanDerWaalsContact OG-CB 3.27Å; S291-Y294 WeakPolarHBondContact OG-CB 3.49Å; S291-Y294 PolarHBondContact OG-N 3.45Å; S291-Y294 VanDerWaalsContact OG-N 3.11Å; S291-S295 PolarHBondContact O-N 3.34Å; S291-S295 PolarHBondContact O-OG 3.34Å
292I71.4Confident64Low133 Ų133113.1 Ų113.168%0.68255%0.552SS**Hα-helixtrans-55-39.6174.2-64.7170.8000109.8Y294 S295 I296I292-Y294 PolarHBondContact O-N 3.39Å; I292-S295 PolarHBondContact O-N 2.89Å; I292-I296 HydrophobicContact CG2-CD1 3.73Å; I292-I296 HydrophobicContact CG2-CG1 4.33Å; I292-I296 VanDerWaalsContact O-CG1 3.28Å; I292-I296 WeakPolarHBondContact O-CG1 3.46Å; I292-I296 PolarHBondContact O-N 3.35Å
293A68.7Low65.6Low53 Ų53112.5 Ų112.544%0.43855%0.546SS..Hα-helixtrans-57.9-48.2176.500000112.5S291 S295 I296 I297S291-A293 PolarHBondContact O-N 3.49Å; A293-S295 PolarHBondContact O-N 2.82Å; A293-I296 PolarHBondContact O-N 3.27Å; A293-I297 VanDerWaalsContact O-CG1 3.26Å; A293-I297 WeakPolarHBondContact O-CG1 3.31Å; A293-I297 PolarHBondContact O-N 3.49Å
294Y73.9Confident67.2Low73 Ų73112.1 Ų112.129%0.28654%0.536SS..Hα-helixtrans-63.2-41.4176.5177.9-93.1000112.1T288 R289 S291 I292 I296 I297 R298T288-Y294 WeakPolarHBondContact O-CB 3.34Å; R289-Y294 HydrophobicContact CB-CD1 4.27Å; R289-Y294 HydrophobicContact CB-CE1 4.07Å; R289-Y294 HydrophobicContact CG-CD1 4.46Å; R289-Y294 HydrophobicContact CG-CE1 3.92Å; R289-Y294 HydrophobicContact CG-CE2 4.32Å; R289-Y294 WeakPolarHBondContact O-CD1 3.29Å; S291-Y294 PolarHBondContact O-N 2.87Å; S291-Y294 VanDerWaalsContact O-N 3.12Å; S291-Y294 VanDerWaalsContact OG-CB 3.27Å; S291-Y294 WeakPolarHBondContact OG-CB 3.49Å; S291-Y294 PolarHBondContact OG-N 3.45Å; S291-Y294 VanDerWaalsContact OG-N 3.11Å; I292-Y294 PolarHBondContact O-N 3.39Å; Y294-I296 VanDerWaalsContact C-N 3.33Å; Y294-I296 PolarHBondContact O-N 3.41Å; Y294-I297 PolarHBondContact O-N 3.37Å; Y294-R298 HydrophobicContact CE1-CB 4.41Å; Y294-R298 VanDerWaalsContact O-CB 3.27Å; Y294-R298 WeakPolarHBondContact O-CB 3.37Å; Y294-R298 PolarHBondContact O-N 2.92Å
295S71.9Confident68.7Low65 Ų65107.7 Ų107.746%0.45552%0.523SS..Hα-helixtrans-62.3-40177.7-65.40000112.1S291 I292 A293 H299S291-S295 PolarHBondContact O-N 3.34Å; S291-S295 PolarHBondContact O-OG 3.34Å; I292-S295 PolarHBondContact O-N 2.89Å; A293-S295 PolarHBondContact O-N 2.82Å; S295-H299 VanDerWaalsContact O-CB 3.28Å; S295-H299 WeakPolarHBondContact O-CB 3.36Å; S295-H299 PolarHBondContact O-N 2.55Å
296I75.5Confident69.6Low76 Ų76105 Ų10539%0.3952%0.516SS..Hα-helixtrans-65.7-46.6174.8-67.9167.3000110.9I292 A293 Y294 H299 R300I292-I296 HydrophobicContact CG2-CD1 3.73Å; I292-I296 HydrophobicContact CG2-CG1 4.33Å; I292-I296 VanDerWaalsContact O-CG1 3.28Å; I292-I296 WeakPolarHBondContact O-CG1 3.46Å; I292-I296 PolarHBondContact O-N 3.35Å; A293-I296 PolarHBondContact O-N 3.27Å; Y294-I296 VanDerWaalsContact C-N 3.33Å; Y294-I296 PolarHBondContact O-N 3.41Å; I296-H299 PolarHBondContact O-N 2.7Å; I296-R300 PolarHBondContact O-N 2.87Å
297I77Confident70.4Confident94 Ų94106.4 Ų106.448%0.48252%0.523SS..Hα-helixtrans-60.2-50.4178.1-68.2165000110A293 Y294 H299 R300 E301A293-I297 VanDerWaalsContact O-CG1 3.26Å; A293-I297 WeakPolarHBondContact O-CG1 3.31Å; A293-I297 PolarHBondContact O-N 3.49Å; Y294-I297 PolarHBondContact O-N 3.37Å; I297-H299 VanDerWaalsContact C-N 3.33Å; I297-H299 PolarHBondContact O-N 3.2Å; I297-R300 WeakPolarHBondContact O-CB 3.26Å; I297-R300 PolarHBondContact O-N 2.94Å; I297-R300 VanDerWaalsContact O-N 3.11Å; I297-E301 HydrophobicContact CG2-CG 4.39Å; I297-E301 WeakPolarHBondContact O-CG 3.5Å; I297-E301 PolarHBondContact O-N 3.3Å
298R77.4Confident71.1Confident158 Ų158106.4 Ų106.460%0.59652%0.52SS*.Hα-helixtrans-62.1-38.4179-170.2-178.4-175.1-162.71.9112.4Y294 E301 K302Y294-R298 HydrophobicContact CE1-CB 4.41Å; Y294-R298 VanDerWaalsContact O-CB 3.27Å; Y294-R298 WeakPolarHBondContact O-CB 3.37Å; Y294-R298 PolarHBondContact O-N 2.92Å; R298-E301 PolarHBondContact O-N 2.95Å; R298-K302 WeakPolarHBondContact O-CB 3.31Å; R298-K302 PolarHBondContact O-N 3.26Å
299H75.4Confident71.7Confident112 Ų112104 Ų10452%0.51951%0.509SS..Hα-helixtrans-62.2-47173.7-176.483000110.7S295 I296 I297 E301 K302 Q303S295-H299 VanDerWaalsContact O-CB 3.28Å; S295-H299 WeakPolarHBondContact O-CB 3.36Å; S295-H299 PolarHBondContact O-N 2.55Å; I296-H299 PolarHBondContact O-N 2.7Å; I297-H299 VanDerWaalsContact C-N 3.33Å; I297-H299 PolarHBondContact O-N 3.2Å; H299-E301 PolarHBondContact O-N 3.25Å; H299-K302 PolarHBondContact O-N 2.85Å; H299-Q303 PolarHBondContact CE1-NE2 2.69Å; H299-Q303 PolarHBondContact NE2-NE2 3.01Å; H299-Q303 VanDerWaalsContact O-CG 3.29Å; H299-Q303 WeakPolarHBondContact O-CG 3.32Å; H299-Q303 PolarHBondContact O-N 3.48Å
300R77.7Confident71.9Confident149 Ų149100 Ų10056%0.56251%0.509SS*.Hα-helixtrans-60.6-44.2175.9-78-173.8172.8-172.4-0.6112.2I296 I297 K302 Q303 L304I296-R300 PolarHBondContact O-N 2.87Å; I297-R300 WeakPolarHBondContact O-CB 3.26Å; I297-R300 PolarHBondContact O-N 2.94Å; I297-R300 VanDerWaalsContact O-N 3.11Å; R300-K302 PolarHBondContact O-N 3.46Å; R300-Q303 PolarHBondContact O-N 2.86Å; R300-L304 WeakPolarHBondContact O-CB 3.35Å; R300-L304 WeakPolarHBondContact O-CG 3.24Å; R300-L304 PolarHBondContact O-N 3Å
301E80.9Confident71.7Confident111 Ų11196.7 Ų96.752%0.51950%0.496SS..Hα-helixtrans-61.2-43.7175.9-73176.1166.200111.6I297 R298 H299 Q303 L304 C305I297-E301 HydrophobicContact CG2-CG 4.39Å; I297-E301 WeakPolarHBondContact O-CG 3.5Å; I297-E301 PolarHBondContact O-N 3.3Å; R298-E301 PolarHBondContact O-N 2.95Å; H299-E301 PolarHBondContact O-N 3.25Å; E301-Q303 PolarHBondContact O-N 2.79Å; E301-L304 PolarHBondContact O-N 2.84Å; E301-C305 WeakPolarHBondContact O-CB 3.4Å; E301-C305 PolarHBondContact O-N 2.89Å; E301-C305 PolarHBondContact O-SG 2.89Å; E301-C305 VanDerWaalsContact O-SG 3.34Å
302K77.6Confident71.1Confident142 Ų14298.1 Ų98.162%0.61751%0.506SS*.Hα-helixtrans-62.9-42176.2-167.7177.6-177-179.10111.8R298 H299 R300 C305 N306R298-K302 WeakPolarHBondContact O-CB 3.31Å; R298-K302 PolarHBondContact O-N 3.26Å; H299-K302 PolarHBondContact O-N 2.85Å; R300-K302 PolarHBondContact O-N 3.46Å; K302-C305 PolarHBondContact O-N 3.31Å; K302-N306 WeakPolarHBondContact O-CB 3.38Å; K302-N306 PolarHBondContact O-N 3.49Å; K302-N306 PolarHBondContact O-OD1 2.88Å
303Q73.6Confident70.6Confident100 Ų10098.5 Ų98.547%0.46751%0.505SS..Hα-helixtrans-61.8-44.6174.2-69.2-68.7-6.300111.4H299 R300 E301 N306 L307H299-Q303 PolarHBondContact CE1-NE2 2.69Å; H299-Q303 PolarHBondContact NE2-NE2 3.01Å; H299-Q303 VanDerWaalsContact O-CG 3.29Å; H299-Q303 WeakPolarHBondContact O-CG 3.32Å; H299-Q303 PolarHBondContact O-N 3.48Å; R300-Q303 PolarHBondContact O-N 2.86Å; E301-Q303 PolarHBondContact O-N 2.79Å; Q303-N306 PolarHBondContact O-N 3.18Å; Q303-L307 VanDerWaalsContact O-CB 3.24Å; Q303-L307 WeakPolarHBondContact O-CB 3.4Å; Q303-L307 PolarHBondContact O-N 2.86Å
304L71.2Confident70Confident108 Ų10897.6 Ų97.657%0.56550%0.498SS*.Hα-helixtrans-64.8-38.7176.6-73172.7000112.3R300 E301 L307 K308R300-L304 WeakPolarHBondContact O-CB 3.35Å; R300-L304 WeakPolarHBondContact O-CG 3.24Å; R300-L304 PolarHBondContact O-N 3Å; E301-L304 PolarHBondContact O-N 2.84Å; L304-L307 PolarHBondContact O-N 3.3Å; L304-K308 WeakPolarHBondContact O-CB 3.35Å; L304-K308 VanDerWaalsContact O-CG 3.32Å; L304-K308 WeakPolarHBondContact O-CG 3.2Å; L304-K308 PolarHBondContact O-N 3.38Å
305C71.1Confident69.1Low78 Ų7896.7 Ų96.753%0.52750%0.501SS..Hα-helixtrans-66.1-45.2174.6-750000111.7E301 K302 L307 K308 A309E301-C305 WeakPolarHBondContact O-CB 3.4Å; E301-C305 PolarHBondContact O-N 2.89Å; E301-C305 PolarHBondContact O-SG 2.89Å; E301-C305 VanDerWaalsContact O-SG 3.34Å; K302-C305 PolarHBondContact O-N 3.31Å; C305-L307 VanDerWaalsContact C-N 3.31Å; C305-L307 PolarHBondContact O-N 2.81Å; C305-K308 PolarHBondContact O-N 3.16Å; C305-A309 WeakPolarHBondContact O-CB 3.47Å; C305-A309 PolarHBondContact O-N 3.09Å
306N68.6Low68.3Low88 Ų8898.3 Ų98.347%0.47150%0.503SS..Hα-helixtrans-61.7-41.3175.6-71.3-6.9000111.2K302 Q303 A309 A310K302-N306 WeakPolarHBondContact O-CB 3.38Å; K302-N306 PolarHBondContact O-N 3.49Å; K302-N306 PolarHBondContact O-OD1 2.88Å; Q303-N306 PolarHBondContact O-N 3.18Å; N306-A309 PolarHBondContact O-N 2.98Å; N306-A310 VanDerWaalsContact O-CB 3.31Å; N306-A310 WeakPolarHBondContact O-CB 3.34Å; N306-A310 PolarHBondContact O-N 3.35Å
307L67.4Low67.3Low101 Ų10196.3 Ų96.353%0.52950%0.498SS..Hα-helixtrans-67.6-40.5176.8-170.5143.7000111.2Q303 L304 C305 A310 L311Q303-L307 VanDerWaalsContact O-CB 3.24Å; Q303-L307 WeakPolarHBondContact O-CB 3.4Å; Q303-L307 PolarHBondContact O-N 2.86Å; L304-L307 PolarHBondContact O-N 3.3Å; C305-L307 VanDerWaalsContact C-N 3.31Å; C305-L307 PolarHBondContact O-N 2.81Å; L307-A310 PolarHBondContact O-N 3Å; L307-L311 HydrophobicContact CD2-CD1 3.51Å; L307-L311 HydrophobicContact CD2-CG 4.21Å; L307-L311 HydrophobicContact CG-CD1 4.44Å; L307-L311 WeakPolarHBondContact O-CB 3.49Å; L307-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.18Å
308K70.4Confident66.2Low151 Ų15198.3 Ų98.366%0.65750%0.5SS*.Hα-helixtrans-61.6-44.2171.7-81.2179.8178.9-177.80111.9L304 C305 L311 S312L304-K308 WeakPolarHBondContact O-CB 3.35Å; L304-K308 VanDerWaalsContact O-CG 3.32Å; L304-K308 WeakPolarHBondContact O-CG 3.2Å; L304-K308 PolarHBondContact O-N 3.38Å; C305-K308 PolarHBondContact O-N 3.16Å; K308-L311 PolarHBondContact O-N 3.03Å; K308-S312 VanDerWaalsContact O-CB 3.27Å; K308-S312 WeakPolarHBondContact O-CB 3.49Å; K308-S312 PolarHBondContact O-N 3.02Å; K308-S312 PolarHBondContact O-OG 2.76Å
309A65.7Low65Low39 Ų3995 Ų9532%0.32249%0.494SS..Hα-helixtrans-60.5-51.1177.300000110.5C305 N306 L311 S312 E313C305-A309 WeakPolarHBondContact O-CB 3.47Å; C305-A309 PolarHBondContact O-N 3.09Å; N306-A309 PolarHBondContact O-N 2.98Å; A309-L311 VanDerWaalsContact C-N 3.29Å; A309-L311 PolarHBondContact O-N 2.88Å; A309-S312 WeakPolarHBondContact CA-OG 3.41Å; A309-S312 PolarHBondContact O-N 2.86Å; A309-S312 PolarHBondContact O-OG 3.19Å; A309-E313 WeakPolarHBondContact O-CG 3.33Å; A309-E313 PolarHBondContact O-N 3.32Å
310A61.5Low64Low69 Ų6995.3 Ų95.357%0.5749%0.491SS*.Hα-helixtrans-61.5-32.6176.800000113.5N306 L307N306-A310 VanDerWaalsContact O-CB 3.31Å; N306-A310 WeakPolarHBondContact O-CB 3.34Å; N306-A310 PolarHBondContact O-N 3.35Å; L307-A310 PolarHBondContact O-N 3Å
311L55.7Low62.8Low85 Ų8592.3 Ų92.345%0.44548%0.482SS..Hα-helixtrans-78.9-24.2173.6-72178.8000113.2L307 K308 A309L307-L311 HydrophobicContact CD2-CD1 3.51Å; L307-L311 HydrophobicContact CD2-CG 4.21Å; L307-L311 HydrophobicContact CG-CD1 4.44Å; L307-L311 WeakPolarHBondContact O-CB 3.49Å; L307-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.18Å; K308-L311 PolarHBondContact O-N 3.03Å; A309-L311 VanDerWaalsContact C-N 3.29Å; A309-L311 PolarHBondContact O-N 2.88Å
312S60.6Low61.6Low76 Ų7693.8 Ų93.853%0.53149%0.493SS..Hα-helixtrans-85-34.3179.268.20000112.7K308 A309 A314K308-S312 VanDerWaalsContact O-CB 3.27Å; K308-S312 WeakPolarHBondContact O-CB 3.49Å; K308-S312 PolarHBondContact O-N 3.02Å; K308-S312 PolarHBondContact O-OG 2.76Å; A309-S312 WeakPolarHBondContact CA-OG 3.41Å; A309-S312 PolarHBondContact O-N 2.86Å; A309-S312 PolarHBondContact O-OG 3.19Å; S312-A314 PolarHBondContact O-N 3.26Å
313E60.4Low59.9Low140 Ų14093.4 Ų93.465%0.65450%0.498SS*.SBendtrans-71.5111.4176.4-73177.4-169.200109.1A309A309-E313 WeakPolarHBondContact O-CG 3.33Å; A309-E313 PolarHBondContact O-N 3.32Å
314A56.3Low58.4Low35 Ų3592.9 Ų92.929%0.28950%0.502SS..PPolyproline II helixtrans-66.1131.1168.800000107.8S312 I316 K370S312-A314 PolarHBondContact O-N 3.26Å; A314-I316 WeakPolarHBondContact O-CG1 3.38Å; A314-I316 PolarHBondContact O-N 2.86Å; A314-K370 HydrophobicContact CB-CG 4.4Å
315P55.8Low57.1Low54 Ų5495.8 Ų95.835%0.35152%0.518SS..PPolyproline II helixtrans-59.5128.3176.517.7-23.1000109.4L368P315-L368 HydrophobicContact CB-CB 4.41Å; P315-L368 HydrophobicContact CB-CD1 4.22Å; P315-L368 HydrophobicContact CG-CB 4.01Å; P315-L368 HydrophobicContact CG-CD1 4.49Å; P315-L368 WeakPolarHBondContact O-CB 3.36Å; P315-L368 PolarHBondContact O-N 3.36Å
316I55.3Low55.5Low99 Ų99100.4 Ų100.451%0.50853%0.529SS..EExtended strand (participates in β ladder)trans-97.5124.4-178.2-60.8176.1000108.3A314 Y318 V365A314-I316 WeakPolarHBondContact O-CG1 3.38Å; A314-I316 PolarHBondContact O-N 2.86Å; I316-Y318 HydrophobicContact CG2-CE1 4.46Å; I316-Y318 HydrophobicContact CG2-CE2 4.18Å; I316-V365 HydrophobicContact CG2-CG1 3.5Å
317A54.6Low54.1Low33 Ų33101 Ų10127%0.27354%0.54SS..EExtended strand (participates in β ladder)trans-105.8153.5166.700000109.8I366 L368A317-I366 PolarHBondContact N-O 2.82Å; A317-I366 PolarHBondContact O-N 3.08Å; A317-L368 HydrophobicContact CB-CD1 4.04Å; A317-L368 HydrophobicContact CB-CD2 4.15Å; A317-L368 HydrophobicContact CB-CG 3.89Å
318Y53.1Low52.7Low137 Ų137102.1 Ų102.154%0.53755%0.551SS.*EExtended strand (participates in β ladder)trans-113.2121.7175.3-62.2-87.9000108.9I316 L363 V365I316-Y318 HydrophobicContact CG2-CE1 4.46Å; I316-Y318 HydrophobicContact CG2-CE2 4.18Å; Y318-L363 HydrophobicContact CD1-CB 4.27Å; Y318-L363 HydrophobicContact CD1-CD1 4.31Å; Y318-L363 HydrophobicContact CG-CD1 4.34Å; Y318-V365 HydrophobicContact CD1-CG2 4.22Å; Y318-V365 HydrophobicContact CE1-CG2 3.96Å
319L51.9Low50.9Low89 Ų89101 Ų10147%0.46656%0.557SS.*EExtended strand (participates in β ladder)trans-100.5143.4171-176.171.7000108.9K321 L363 E364 I366L319-K321 PolarHBondContact O-N 3.45Å; L319-L363 CarbonylContact O-C 3.43Å; L319-L363 WeakPolarHBondContact O-CA 3.27Å; L319-E364 PolarHBondContact N-O 3.39Å; L319-E364 PolarHBondContact O-N 3.45Å; L319-I366 HydrophobicContact CB-CD1 3.51Å; L319-I366 HydrophobicContact CB-CG1 4.11Å; L319-I366 HydrophobicContact CD2-CD1 3.8Å; L319-I366 HydrophobicContact CG-CD1 4.19Å
320W54.1Low49.7Very low117 Ų117109.3 Ų109.344%0.44359%0.586SS.*EExtended strand (participates in β ladder)trans-64.6126.6168.8-69.692.4000110.7D322 K348 F362 L363W320-D322 PolarHBondContact O-N 3.01Å; W320-K348 HydrophobicContact CE3-CD 4.1Å; W320-K348 HydrophobicContact CH2-CB 4.29Å; W320-K348 HydrophobicContact CH2-CD 3.54Å; W320-K348 HydrophobicContact CZ2-CD 4Å; W320-K348 HydrophobicContact CZ3-CD 3.59Å; W320-F362 CarbonylContact C-O 3.42Å; W320-F362 VanDerWaalsContact CA-O 3.24Å; W320-F362 WeakPolarHBondContact CA-O 3.47Å; W320-F362 HydrophobicContact CE3-CB 3.76Å; W320-F362 HydrophobicContact CZ3-CB 3.61Å; W320-F362 HydrophobicContact CZ3-CG 4.36Å; W320-L363 HydrophobicContact CB-CD2 4.44Å; W320-L363 HydrophobicContact CD2-CD2 3.59Å; W320-L363 HydrophobicContact CE3-CD2 3.83Å; W320-L363 HydrophobicContact CG-CD2 3.88Å; W320-L363 HydrophobicContact CZ2-CD2 4.41Å; W320-L363 HydrophobicContact CZ3-CD2 4.33Å
321K53.6Low48.5Very low87 Ų87113.2 Ų113.238%0.37860%0.596SS.*  trans-61.7106.8160.5-71.6-176.3175.6-177.80106.9L319 N323 N360 F362 E364L319-K321 PolarHBondContact O-N 3.45Å; K321-N323 VanDerWaalsContact C-N 3.26Å; K321-N323 PolarHBondContact O-N 3.28Å; K321-N360 VanDerWaalsContact CE-O 3.32Å; K321-N360 WeakPolarHBondContact CE-O 3.31Å; K321-N360 PolarHBondContact NZ-O 3.19Å; K321-F362 PolarHBondContact N-O 2.82Å; K321-E364 HydrophobicContact CG-CB 4.01Å
322D54.9Low47.3Very low142 Ų142117.7 Ų117.776%0.75961%0.612SS**  trans-6793.8164.9-74.6-23.4000107.1W320 V324W320-D322 PolarHBondContact O-N 3.01Å; D322-V324 PolarHBondContact O-N 2.88Å
323N42.4Very low46.2Very low134 Ų134120.2 Ų120.272%0.71762%0.624SS**  trans-67.976.1162.3-94.3-10.3000107.7K321K321-N323 VanDerWaalsContact C-N 3.26Å; K321-N323 PolarHBondContact O-N 3.28Å
324V42.6Very low45.2Very low89 Ų89122.9 Ų122.954%0.53963%0.634SS.*  trans-138.1109170.1-168.60000107.8D322 K326D322-V324 PolarHBondContact O-N 2.88Å; V324-K326 HydrophobicContact CG1-CB 4.06Å; V324-K326 HydrophobicContact CG1-CD 3.81Å; V324-K326 HydrophobicContact CG1-CG 3.72Å; V324-K326 PolarHBondContact O-N 3.12Å
325N43.1Very low43.9Very low169 Ų169127.4 Ų127.490%0.90465%0.653SS**  trans-57.966.4160.9-70.4-24.4000110.8
326K38.5Very low43.2Very low175 Ų175129.8 Ų129.876%0.76166%0.661SS**  trans-121.374.6165.7-79.3179.4-174.3-176.30107.2V324V324-K326 HydrophobicContact CG1-CB 4.06Å; V324-K326 HydrophobicContact CG1-CD 3.81Å; V324-K326 HydrophobicContact CG1-CG 3.72Å; V324-K326 PolarHBondContact O-N 3.12Å
327S38.7Very low42.3Very low100 Ų100130.9 Ų130.970%0.69968%0.676SS**  trans-43.5143.8145.850.80000109.2
328T38.1Very low41.4Very low125 Ų125133 Ų13377%0.76769%0.689SS**SBendtrans83.474.417876.30000115.5
329T32.9Very low40.6Very low127 Ų127135.4 Ų135.478%0.77970%0.702SS**  166.690.6109.336.90000109.5L331T329-L331 PolarHBondContact O-N 3.46Å
330K39.4Very low40.1Very low213 Ų213138.4 Ų138.493%0.92671%0.708SS**  trans-6288.8154.9-72.9177.8176.7178.20107.3
331L37.2Very low39.3Very low152 Ų152142 Ų14280%0.79673%0.727SS**  trans-177.4119.6158.1-98147.8000107.6T329T329-L331 PolarHBondContact O-N 3.46Å
332K29.4Very low38.3Very low179 Ų179145 Ų14578%0.77875%0.748SS**  trans95.553.4171.5-50176.1-177.7-179.40117.5K334K332-K334 PolarHBondContact O-N 2.9Å
333T37.4Very low37.5Very low128 Ų128142.8 Ų142.879%0.78573%0.734SS**  trans-71.643.2139.935.60000111.6I336T333-I336 HydrophobicContact CG2-CD1 4.48Å
334K39.1Very low37Very low196 Ų196141.9 Ų141.985%0.85273%0.73SS**SBendtrans-110.218.7167-121.1-174.6-174-176.50111.9K332K332-K334 PolarHBondContact O-N 2.9Å
335L30.5Very low36.9Very low131 Ų131145 Ų14569%0.68674%0.743SS**  trans-141.457.1175.4-148.382.1000110.9C337 S338L335-C337 PolarHBondContact O-N 2.83Å; L335-S338 WeakPolarHBondContact CD2-OG 3.47Å
336I39.9Very low36.6Very low104 Ų104144.7 Ų144.753%0.53374%0.735SS.*THydrogen-bonded Turntrans-78.2-10.7-170.8-72.3175.1000114T333 Y340T333-I336 HydrophobicContact CG2-CD1 4.48Å; I336-Y340 HydrophobicContact CG2-CE2 4.45Å; I336-Y340 WeakPolarHBondContact O-CD2 3.24Å; I336-Y340 WeakPolarHBondContact O-CE2 3.33Å
337C36.8Very low36.5Very low122 Ų122140.3 Ų140.382%0.82473%0.732SS**THydrogen-bonded Turntrans-111.72.9-174.8-68.70000117.3L335L335-C337 PolarHBondContact O-N 2.83Å
338S36.3Very low36.6Very low76 Ų76141.2 Ų141.253%0.53172%0.724SS.*SBendtrans-98.6-16.5-179.660.70000115.8L335L335-S338 WeakPolarHBondContact CD2-OG 3.47Å
339K36.2Very low36.4Very low188 Ų188144.5 Ų144.582%0.81772%0.722SS**SBendtrans-92-1.2-177.4-78.2-169.7176.3-177.30115.7K341K339-K341 VanDerWaalsContact C-N 3.31Å; K339-K341 PolarHBondContact O-N 3.4Å
340Y40.3Very low36.7Very low153 Ų153142 Ų14260%0.671%0.708SS**THydrogen-bonded Turntrans-8818.8-177.2-69.7-71.2000114.8I336 I343I336-Y340 HydrophobicContact CG2-CE2 4.45Å; I336-Y340 WeakPolarHBondContact O-CD2 3.24Å; I336-Y340 WeakPolarHBondContact O-CE2 3.33Å; Y340-I343 HydrophobicContact CD1-CD1 3.42Å; Y340-I343 VanDerWaalsContact CD1-CD1 3.42Å; Y340-I343 HydrophobicContact CD1-CG1 4.15Å; Y340-I343 HydrophobicContact CE1-CD1 3.57Å
341K37.4Very low36.6Very low192 Ų192138 Ų13884%0.83570%0.697SS**THydrogen-bonded Turntrans-73-28177.1-87.2-171.3173.7-174.70114.3K339K339-K341 VanDerWaalsContact C-N 3.31Å; K339-K341 PolarHBondContact O-N 3.4Å
342D34.2Very low36.6Very low151 Ų151135.6 Ų135.681%0.80769%0.69SS**SBendtrans-121.318.3-170.1-58.2-30.4000115N344D342-N344 PolarHBondContact O-N 2.92Å
343I37.1Very low37.1Very low94 Ų94129.3 Ų129.348%0.48268%0.676SS.*  trans-75.797.7169.7-53.1-167.7000107.7Y340 L345Y340-I343 HydrophobicContact CD1-CD1 3.42Å; Y340-I343 VanDerWaalsContact CD1-CD1 3.42Å; Y340-I343 HydrophobicContact CD1-CG1 4.15Å; Y340-I343 HydrophobicContact CE1-CD1 3.57Å; I343-L345 VanDerWaalsContact C-N 3.25Å; I343-L345 PolarHBondContact O-N 3.32Å
344N31.9Very low37Very low116 Ų116126.3 Ų126.362%0.6266%0.661SS**  trans-60.388.1170.9-156.2-19.7000108.8D342 Q346 A347D342-N344 PolarHBondContact O-N 2.92Å; N344-Q346 PolarHBondContact O-N 3.08Å; N344-A347 PolarHBondContact O-N 2.92Å
345L40Very low37Very low155 Ų155123.3 Ų123.381%0.81265%0.653SS**G310 helixtrans-58.8-11.9-176-78.8159.4000113I343I343-L345 VanDerWaalsContact C-N 3.25Å; I343-L345 PolarHBondContact O-N 3.32Å
346Q36.3Very low37.4Very low161 Ų161118.6 Ų118.675%0.75264%0.636SS**G310 helixtrans-72.3-25.6174.1-66-166.4-1.900113.5N344 K348N344-Q346 PolarHBondContact O-N 3.08Å; Q346-K348 VanDerWaalsContact C-N 3.27Å; Q346-K348 PolarHBondContact O-N 2.9Å
347A37.7Very low37.6Very low84 Ų84115.5 Ų115.569%0.69463%0.629SS**G310 helixtrans-78.2-4.2-173.300000114.9N344N344-A347 PolarHBondContact O-N 2.92Å
348K40.1Very low37.9Very low119 Ų119115.1 Ų115.152%0.51762%0.618SS.*G310 helixtrans-116.724.1178.3-64.6-163.2-179.9-177.40113.8W320 Q346W320-K348 HydrophobicContact CE3-CD 4.1Å; W320-K348 HydrophobicContact CH2-CB 4.29Å; W320-K348 HydrophobicContact CH2-CD 3.54Å; W320-K348 HydrophobicContact CZ2-CD 4Å; W320-K348 HydrophobicContact CZ3-CD 3.59Å; Q346-K348 VanDerWaalsContact C-N 3.27Å; Q346-K348 PolarHBondContact O-N 2.9Å
349R34.7Very low38.5Very low193 Ų193113.3 Ų113.373%0.72861%0.606SS**SBendtrans-72.3138.9157.5-72.1-172.6176-167.90.4108.2L351R349-L351 PolarHBondContact O-N 2.96Å
350C39.1Very low39.3Very low74 Ų74109.1 Ų109.150%0.559%0.592SS.*PPolyproline II helixtrans-56.7131.9168.8-52.40000107.4
351L37.9Very low39.9Very low129 Ų129109 Ų10968%0.67559%0.592SS**PPolyproline II helixtrans-54.9136.5171.4-75.3163.3000108.4R349 G353 S354R349-L351 PolarHBondContact O-N 2.96Å; L351-G353 PolarHBondContact O-N 3.29Å; L351-S354 WeakPolarHBondContact O-CB 3.3Å; L351-S354 PolarHBondContact O-N 3.05Å
352P36.4Very low40.7Very low102 Ų102104.4 Ų104.466%0.66257%0.572SS**THydrogen-bonded Turntrans-52.6130.6172.814.6-21.7000109.5S354P352-S354 PolarHBondContact O-N 3.25Å
353G39.2Very low41.3Very low47 Ų4798 Ų9849%0.48554%0.538SS..THydrogen-bonded Turntrans84.9-10-175.900000116.3L351L351-G353 PolarHBondContact O-N 3.29Å
354S36.3Very low42.5Very low66 Ų6698.6 Ų98.646%0.46254%0.538SS..SBendtrans-82.7119.1168.7-67.40000109.5L351 P352 G356L351-S354 WeakPolarHBondContact O-CB 3.3Å; L351-S354 PolarHBondContact O-N 3.05Å; P352-S354 PolarHBondContact O-N 3.25Å; S354-G356 PolarHBondContact O-N 2.97Å
355I39.4Very low43.9Very low133 Ų13396.8 Ų96.868%0.68253%0.531SS*.  trans-50110.7162.6-61.8164.3000105G357I355-G357 PolarHBondContact O-N 3.17Å
356G39.1Very low44.7Very low32 Ų3292.6 Ų92.633%0.3351%0.509SS..  trans-46.2117.2-175.800000107.9S354 L358S354-G356 PolarHBondContact O-N 2.97Å; G356-L358 PolarHBondContact O-N 3.36Å
357G42.9Very low45.8Very low39 Ų3988.4 Ų88.440%0.40250%0.502SS..  trans-49.8136.3-175.400000108.6I355 S359I355-G357 PolarHBondContact O-N 3.17Å; G357-S359 PolarHBondContact O-N 3.2Å; G357-S359 VanDerWaalsContact O-N 3.11Å
358L43.4Very low46.5Very low113 Ų11388.1 Ų88.159%0.59249%0.489SS*.  trans-45.1127.6-177.6-65.3171.6000108.4G356 N360 Y361G356-L358 PolarHBondContact O-N 3.36Å; L358-N360 PolarHBondContact O-N 3.21Å; L358-Y361 HydrophobicContact CB-CD2 3.74Å; L358-Y361 HydrophobicContact CB-CE2 3.79Å; L358-Y361 HydrophobicContact CD1-CE2 3.96Å; L358-Y361 HydrophobicContact CG-CE2 4.15Å; L358-Y361 WeakPolarHBondContact O-CD2 3.47Å; L358-Y361 PolarHBondContact O-N 3.28Å
359S50.1Low47.1Very low38 Ų3887.8 Ų87.827%0.26650%0.498SS..G310 helixtrans-44-36.8-178.852.90000112.6G357 Y361 F362 L363G357-S359 PolarHBondContact O-N 3.2Å; G357-S359 VanDerWaalsContact O-N 3.11Å; S359-Y361 PolarHBondContact O-N 3.36Å; S359-Y361 VanDerWaalsContact O-N 3.09Å; S359-F362 PolarHBondContact O-N 3.25Å; S359-F362 VanDerWaalsContact O-N 3.15Å; S359-L363 WeakPolarHBondContact O-CB 3.43Å; S359-L363 PolarHBondContact O-N 2.93Å
360N52.1Low48Very low100 Ų10084.9 Ų84.954%0.53549%0.491SS..G310 helixtrans-55.2-21.7176.9-63.5-10.1000115.5K321 L358K321-N360 VanDerWaalsContact CE-O 3.32Å; K321-N360 WeakPolarHBondContact CE-O 3.31Å; K321-N360 PolarHBondContact NZ-O 3.19Å; L358-N360 PolarHBondContact O-N 3.21Å
361Y52.3Low48.7Very low150 Ų15085.7 Ų85.759%0.58850%0.495SS*.G310 helixtrans-78.9-31.6178.5-72-66.8000113L358 S359L358-Y361 HydrophobicContact CB-CD2 3.74Å; L358-Y361 HydrophobicContact CB-CE2 3.79Å; L358-Y361 HydrophobicContact CD1-CE2 3.96Å; L358-Y361 HydrophobicContact CG-CE2 4.15Å; L358-Y361 WeakPolarHBondContact O-CD2 3.47Å; L358-Y361 PolarHBondContact O-N 3.28Å; S359-Y361 PolarHBondContact O-N 3.36Å; S359-Y361 VanDerWaalsContact O-N 3.09Å
362F54.1Low49.1Very low97 Ų9783.5 Ų83.543%0.42550%0.496SS..THydrogen-bonded Turntrans-117.7-13-174.7-49.1-76.3000113.5W320 K321 S359W320-F362 CarbonylContact C-O 3.42Å; W320-F362 VanDerWaalsContact CA-O 3.24Å; W320-F362 WeakPolarHBondContact CA-O 3.47Å; W320-F362 HydrophobicContact CE3-CB 3.76Å; W320-F362 HydrophobicContact CZ3-CB 3.61Å; W320-F362 HydrophobicContact CZ3-CG 4.36Å; K321-F362 PolarHBondContact N-O 2.82Å; S359-F362 PolarHBondContact O-N 3.25Å; S359-F362 VanDerWaalsContact O-N 3.15Å
363L47.7Very low49.5Very low16 Ų1683.8 Ų83.88%0.08449%0.491CS..EExtended strand (participates in β ladder)trans-122.8130.6-179.9-60175.4000110I74 Y318 L319 W320 S359I74-L363 HydrophobicContact CD1-CD1 3.67Å; Y318-L363 HydrophobicContact CD1-CB 4.27Å; Y318-L363 HydrophobicContact CD1-CD1 4.31Å; Y318-L363 HydrophobicContact CG-CD1 4.34Å; L319-L363 CarbonylContact O-C 3.43Å; L319-L363 WeakPolarHBondContact O-CA 3.27Å; W320-L363 HydrophobicContact CB-CD2 4.44Å; W320-L363 HydrophobicContact CD2-CD2 3.59Å; W320-L363 HydrophobicContact CE3-CD2 3.83Å; W320-L363 HydrophobicContact CG-CD2 3.88Å; W320-L363 HydrophobicContact CZ2-CD2 4.41Å; W320-L363 HydrophobicContact CZ3-CD2 4.33Å; S359-L363 WeakPolarHBondContact O-CB 3.43Å; S359-L363 PolarHBondContact O-N 2.93Å
364E62.5Low49.8Very low106 Ų10688 Ų8850%0.49550%0.501SS..EExtended strand (participates in β ladder)trans-93.2130.6166.2-172.6174.7178.100108.5L319 K321 I366L319-E364 PolarHBondContact N-O 3.39Å; L319-E364 PolarHBondContact O-N 3.45Å; K321-E364 HydrophobicContact CG-CB 4.01Å; E364-I366 PolarHBondContact O-N 2.94Å
365V59.9Low50.1Low78 Ų7895 Ų9547%0.47352%0.517SS..EExtended strand (participates in β ladder)trans-76.2115175179.60000107.9I316 Y318I316-V365 HydrophobicContact CG2-CG1 3.5Å; Y318-V365 HydrophobicContact CD1-CG2 4.22Å; Y318-V365 HydrophobicContact CE1-CG2 3.96Å
366I58.6Low50.8Low68 Ų6896.6 Ų96.635%0.34952%0.52SS..EExtended strand (participates in β ladder)trans-105.4118.2172.3-56.9-175.6000108A317 L319 E364 L368A317-I366 PolarHBondContact N-O 2.82Å; A317-I366 PolarHBondContact O-N 3.08Å; L319-I366 HydrophobicContact CB-CD1 3.51Å; L319-I366 HydrophobicContact CB-CG1 4.11Å; L319-I366 HydrophobicContact CD2-CD1 3.8Å; L319-I366 HydrophobicContact CG-CD1 4.19Å; E364-I366 PolarHBondContact O-N 2.94Å; I366-L368 PolarHBondContact O-N 2.88Å
367A57.6Low51.7Low72 Ų72100 Ų10060%0.59554%0.536SS*.EExtended strand (participates in β ladder)trans-69115.4165.800000108.2
368L53.2Low52.9Low79 Ų79103.2 Ų103.241%0.41455%0.55SS.*  trans-66.7149.5167.9-68.5173.1000108.2P315 A317 I366 K370P315-L368 HydrophobicContact CB-CB 4.41Å; P315-L368 HydrophobicContact CB-CD1 4.22Å; P315-L368 HydrophobicContact CG-CB 4.01Å; P315-L368 HydrophobicContact CG-CD1 4.49Å; P315-L368 WeakPolarHBondContact O-CB 3.36Å; P315-L368 PolarHBondContact O-N 3.36Å; A317-L368 HydrophobicContact CB-CD1 4.04Å; A317-L368 HydrophobicContact CB-CD2 4.15Å; A317-L368 HydrophobicContact CB-CG 3.89Å; I366-L368 PolarHBondContact O-N 2.88Å; L368-K370 PolarHBondContact O-N 3.32Å
369P53Low54.5Low111 Ų111101.3 Ų101.372%0.72155%0.545SS*.  trans-51.6133.2168.622.8-31.5000107.3P371P369-P371 VanDerWaalsContact O-N 3.12Å
370K52.5Low56Low132 Ų132102.9 Ų102.957%0.57455%0.553SS**  trans-43.2130168.8-71.8-176.5178-178.30105.6A314 L368 A372A314-K370 HydrophobicContact CB-CG 4.4Å; L368-K370 PolarHBondContact O-N 3.32Å; K370-A372 PolarHBondContact O-N 3.45Å
371P54.6Low57.6Low91 Ų91103 Ų10359%0.59156%0.561SS**  trans-48117.2174.422.3-31.4000103.3P369 L373P369-P371 VanDerWaalsContact O-N 3.12Å; P371-L373 PolarHBondContact O-N 3.37Å
372A46.2Very low59.3Low83 Ų83101.1 Ų101.169%0.68656%0.559SS**  trans-51112.2175.800000100.8K370 I374K370-A372 PolarHBondContact O-N 3.45Å; A372-I374 PolarHBondContact O-N 3.47Å
373L45.5Very low60.6Low109 Ų109101.3 Ų101.357%0.57156%0.561SS**  trans-45113166-97.1125.200099.6P371 R375P371-L373 PolarHBondContact O-N 3.37Å; L373-R375 HydrophobicContact CB-CG 3.88Å; L373-R375 PolarHBondContact O-N 3.25Å
374I44.1Very low62.4Low136 Ų136106.1 Ų106.170%0.69758%0.583SS**  trans-65.283.1168.4-61.5173.400099.2A372 F376A372-I374 PolarHBondContact O-N 3.47Å; I374-F376 HydrophobicContact CG2-CE1 4.45Å; I374-F376 HydrophobicContact CG2-CE2 4.48Å; I374-F376 HydrophobicContact CG2-CZ 4.41Å; I374-F376 WeakPolarHBondContact O-CD2 3.27Å; I374-F376 PolarHBondContact O-N 3.44Å
375R43.4Very low63.8Low211 Ų211107.4 Ų107.480%0.79658%0.584SS**  trans-68.587.8170.5-76.5-171.5177.2-138.8297.3L373L373-R375 HydrophobicContact CB-CG 3.88Å; L373-R375 PolarHBondContact O-N 3.25Å
376F53.9Low65.1Low167 Ų167107.5 Ų107.573%0.73258%0.581SS**  trans-41.4122.8158-71.9-77.3000103.5I374I374-F376 HydrophobicContact CG2-CE1 4.45Å; I374-F376 HydrophobicContact CG2-CE2 4.48Å; I374-F376 HydrophobicContact CG2-CZ 4.41Å; I374-F376 WeakPolarHBondContact O-CD2 3.27Å; I374-F376 PolarHBondContact O-N 3.44Å
377P59.1Low66.3Low103 Ų103111.5 Ų111.567%0.66959%0.592SS**PPolyproline II helixtrans-48.5137-179.619.8-31.4000106.6
378P67.3Low67.9Low108 Ų108115.6 Ų115.670%0.70160%0.596SS**PPolyproline II helixtrans-48137.1178.921.3-32.5000108.1T380P378-T380 PolarHBondContact O-N 2.92Å; P378-T380 VanDerWaalsContact O-N 3.08Å
379P76.7Confident69.8Low73 Ų73117.8 Ų117.847%0.47460%0.602SS.*PPolyproline II helixtrans-54.6124.6-172.121-32.2000108.9H383 Q384P379-H383 HydrophobicContact CB-CB 3.85Å; P379-Q384 HydrophobicContact CB-CG 4.24Å; P379-Q384 HydrophobicContact CG-CG 4.31Å; P379-Q384 PolarHBondContact O-NE2 3.35Å
380T81.1Confident71.5Confident71 Ų71116.7 Ų116.744%0.43659%0.59SS.*PPolyproline II helixtrans-60.4161.1178.467.30000110.1P378 M382 H383 Q384P378-T380 PolarHBondContact O-N 2.92Å; P378-T380 VanDerWaalsContact O-N 3.08Å; T380-M382 PolarHBondContact O-N 3.39Å; T380-M382 VanDerWaalsContact O-N 3.09Å; T380-H383 WeakPolarHBondContact O-CB 3.4Å; T380-H383 PolarHBondContact O-N 2.84Å; T380-H383 PolarHBondContact OG1-ND1 3.23Å; T380-Q384 PolarHBondContact O-N 3.32Å
381S86.6Confident73.3Confident101 Ų101114.6 Ų114.671%0.70658%0.584SS**Hα-helixtrans-50.1-36.5175.755.20000112.5Q384 Y385S381-Q384 PolarHBondContact O-N 3.38Å; S381-Y385 WeakPolarHBondContact O-CB 3.37Å; S381-Y385 PolarHBondContact O-N 2.82Å
382M87.1Confident75Confident111 Ų111112.7 Ų112.755%0.54758%0.576SS.*Hα-helixtrans-62.7-47173.6-171.7-174.175.700112.9T380 Q384 Y385 I386T380-M382 PolarHBondContact O-N 3.39Å; T380-M382 VanDerWaalsContact O-N 3.09Å; M382-Q384 VanDerWaalsContact C-N 3.31Å; M382-Q384 PolarHBondContact O-N 3.49Å; M382-Y385 WeakPolarHBondContact O-CB 3.33Å; M382-Y385 PolarHBondContact O-N 3.31Å; M382-I386 HydrophobicContact CE-CD1 4.41Å; M382-I386 HydrophobicContact CG-CD1 4.02Å; M382-I386 WeakPolarHBondContact O-CG1 3.36Å; M382-I386 PolarHBondContact O-N 3.18Å
383H81.6Confident77.2Confident102 Ų102111.3 Ų111.347%0.47257%0.565SS.*Hα-helixtrans-62.4-41.1176.8-72.486.5000111.4P379 T380 Y385 I386 R387P379-H383 HydrophobicContact CB-CB 3.85Å; T380-H383 WeakPolarHBondContact O-CB 3.4Å; T380-H383 PolarHBondContact O-N 2.84Å; T380-H383 PolarHBondContact OG1-ND1 3.23Å; H383-Y385 VanDerWaalsContact C-N 3.32Å; H383-Y385 PolarHBondContact O-N 3.38Å; H383-I386 PolarHBondContact O-N 2.83Å; H383-R387 VanDerWaalsContact O-CB 3.24Å; H383-R387 WeakPolarHBondContact O-CB 3.49Å; H383-R387 PolarHBondContact O-N 3.23Å
384Q86.5Confident79.3Confident116 Ų116110 Ų11054%0.54256%0.556SS.*Hα-helixtrans-62.5-41.1175.8-64.4-177.77.400111.4P379 T380 S381 M382 R387 K388P379-Q384 HydrophobicContact CB-CG 4.24Å; P379-Q384 HydrophobicContact CG-CG 4.31Å; P379-Q384 PolarHBondContact O-NE2 3.35Å; T380-Q384 PolarHBondContact O-N 3.32Å; S381-Q384 PolarHBondContact O-N 3.38Å; M382-Q384 VanDerWaalsContact C-N 3.31Å; M382-Q384 PolarHBondContact O-N 3.49Å; Q384-R387 PolarHBondContact O-N 3.25Å; Q384-K388 WeakPolarHBondContact O-CB 3.16Å; Q384-K388 PolarHBondContact O-N 2.84Å
385Y91.2Very high81.6Confident133 Ų133110.6 Ų110.652%0.52255%0.553SS.*Hα-helixtrans-64.7-49.2176.3-180-98.1000112.7S381 M382 H383 R387 K388 K389S381-Y385 WeakPolarHBondContact O-CB 3.37Å; S381-Y385 PolarHBondContact O-N 2.82Å; M382-Y385 WeakPolarHBondContact O-CB 3.33Å; M382-Y385 PolarHBondContact O-N 3.31Å; H383-Y385 VanDerWaalsContact C-N 3.32Å; H383-Y385 PolarHBondContact O-N 3.38Å; Y385-R387 VanDerWaalsContact C-N 3.29Å; Y385-R387 PolarHBondContact O-N 3.35Å; Y385-K388 PolarHBondContact O-N 3.27Å; Y385-K389 HydrophobicContact CE1-CD 4Å; Y385-K389 HydrophobicContact CE1-CG 4.26Å; Y385-K389 VanDerWaalsContact CZ-CE 3.42Å; Y385-K389 PolarHBondContact O-N 3.45Å; Y385-K389 WeakPolarHBondContact OH-CE 3.42Å; Y385-K389 PolarHBondContact OH-NZ 2.76Å
386I87.1Confident83.9Confident80 Ų80106.9 Ų106.941%0.4155%0.545SS..Hα-helixtrans-56.9-47176.4-68.3166.7000109.7M382 H383 K388 K389 I390M382-I386 HydrophobicContact CE-CD1 4.41Å; M382-I386 HydrophobicContact CG-CD1 4.02Å; M382-I386 WeakPolarHBondContact O-CG1 3.36Å; M382-I386 PolarHBondContact O-N 3.18Å; H383-I386 PolarHBondContact O-N 2.83Å; I386-K388 PolarHBondContact O-N 3.23Å; I386-K389 WeakPolarHBondContact O-CB 3.43Å; I386-K389 PolarHBondContact O-N 3.31Å; I386-I390 HydrophobicContact CG2-CD1 3.86Å; I386-I390 WeakPolarHBondContact O-CG1 3.43Å; I386-I390 PolarHBondContact O-N 3.21Å
387R85.1Confident85.7Confident152 Ų152104.3 Ų104.357%0.57454%0.535SS*.Hα-helixtrans-61.8-43.7177.8-171.8177.7-177.1-162.70.9112H383 Q384 Y385 K389 I390 L391H383-R387 VanDerWaalsContact O-CB 3.24Å; H383-R387 WeakPolarHBondContact O-CB 3.49Å; H383-R387 PolarHBondContact O-N 3.23Å; Q384-R387 PolarHBondContact O-N 3.25Å; Y385-R387 VanDerWaalsContact C-N 3.29Å; Y385-R387 PolarHBondContact O-N 3.35Å; R387-K389 VanDerWaalsContact C-N 3.31Å; R387-K389 PolarHBondContact O-N 3.32Å; R387-I390 PolarHBondContact O-N 3.39Å; R387-L391 HydrophobicContact CG-CD1 4.16Å; R387-L391 WeakPolarHBondContact O-CG 3.39Å; R387-L391 PolarHBondContact O-N 2.84Å
388K91.1Very high87.2Confident159 Ų159104 Ų10469%0.69153%0.526SS*.Hα-helixtrans-60.9-39.5176.4-171.8177.8-179.8-179.60111.5Q384 Y385 I386 A392Q384-K388 WeakPolarHBondContact O-CB 3.16Å; Q384-K388 PolarHBondContact O-N 2.84Å; Y385-K388 PolarHBondContact O-N 3.27Å; I386-K388 PolarHBondContact O-N 3.23Å; K388-A392 WeakPolarHBondContact O-CB 3.12Å; K388-A392 PolarHBondContact O-N 2.84Å
389K92.4Very high88.4Confident124 Ų124103.7 Ų103.754%0.53952%0.515SS..Hα-helixtrans-63.9-45.4173.8-83.4-155.7174.5175.60112.7Y385 I386 R387 A392 A393Y385-K389 HydrophobicContact CE1-CD 4Å; Y385-K389 HydrophobicContact CE1-CG 4.26Å; Y385-K389 VanDerWaalsContact CZ-CE 3.42Å; Y385-K389 PolarHBondContact O-N 3.45Å; Y385-K389 WeakPolarHBondContact OH-CE 3.42Å; Y385-K389 PolarHBondContact OH-NZ 2.76Å; I386-K389 WeakPolarHBondContact O-CB 3.43Å; I386-K389 PolarHBondContact O-N 3.31Å; R387-K389 VanDerWaalsContact C-N 3.31Å; R387-K389 PolarHBondContact O-N 3.32Å; K389-A392 PolarHBondContact O-N 2.72Å; K389-A393 PolarHBondContact O-N 3.24Å
390I89.2Confident89.1Confident88 Ų88105.7 Ų105.745%0.45152%0.518SS..Hα-helixtrans-60.5-47.5178-67.1166.3000110.1I386 R387 A392 A393 E394I386-I390 HydrophobicContact CG2-CD1 3.86Å; I386-I390 WeakPolarHBondContact O-CG1 3.43Å; I386-I390 PolarHBondContact O-N 3.21Å; R387-I390 PolarHBondContact O-N 3.39Å; I390-A392 VanDerWaalsContact C-N 3.31Å; I390-A392 PolarHBondContact O-N 2.93Å; I390-A393 PolarHBondContact O-N 2.73Å; I390-E394 WeakPolarHBondContact O-CB 3.38Å; I390-E394 PolarHBondContact O-N 2.93Å
391L90Very high89.5Confident89 Ų89106.1 Ų106.147%0.46652%0.518SS..Hα-helixtrans-63.2-35.8177.8-70.3172.8000112.6R387 K395R387-L391 HydrophobicContact CG-CD1 4.16Å; R387-L391 WeakPolarHBondContact O-CG 3.39Å; R387-L391 PolarHBondContact O-N 2.84Å; L391-K395 VanDerWaalsContact O-CB 3.25Å; L391-K395 WeakPolarHBondContact O-CB 3.13Å; L391-K395 PolarHBondContact O-N 2.61Å
392A91.1Very high89.7Confident50 Ų50106 Ų10641%0.41351%0.509SS..Hα-helixtrans-66.5-42.7175.300000111.8K388 K389 I390 K395 Q396K388-A392 WeakPolarHBondContact O-CB 3.12Å; K388-A392 PolarHBondContact O-N 2.84Å; K389-A392 PolarHBondContact O-N 2.72Å; I390-A392 VanDerWaalsContact C-N 3.31Å; I390-A392 PolarHBondContact O-N 2.93Å; A392-K395 PolarHBondContact O-N 3.11Å; A392-Q396 WeakPolarHBondContact O-CG 3.26Å; A392-Q396 PolarHBondContact O-N 3.37Å
393A91.6Very high89.9Confident54 Ų54105 Ų10545%0.44651%0.505SS..Hα-helixtrans-64.8-44.4175.800000111.7K389 I390 K395 Q396 Q397K389-A393 PolarHBondContact O-N 3.24Å; I390-A393 PolarHBondContact O-N 2.73Å; A393-K395 VanDerWaalsContact C-N 3.34Å; A393-K395 PolarHBondContact O-N 3.12Å; A393-Q396 PolarHBondContact O-N 3.24Å; A393-Q397 PolarHBondContact O-N 3.33Å
394E89.4Confident90.3Very high82 Ų82106.6 Ų106.638%0.38351%0.511SS..Hα-helixtrans-61.6-42.4175.9-170179.6-173.700111.3I390 Q396 Q397 M398I390-E394 WeakPolarHBondContact O-CB 3.38Å; I390-E394 PolarHBondContact O-N 2.93Å; E394-Q396 PolarHBondContact O-N 3.47Å; E394-Q397 PolarHBondContact O-N 2.72Å; E394-M398 HydrophobicContact CG-CE 4.35Å; E394-M398 WeakPolarHBondContact O-CG 3.41Å; E394-M398 PolarHBondContact O-N 2.99Å
395K91.9Very high90.5Very high148 Ų148105.9 Ų105.964%0.64351%0.51SS*.Hα-helixtrans-60.9-43.4174.3-174.5-179.6-179.8-177.70112.1L391 A392 A393 M398 Q399L391-K395 VanDerWaalsContact O-CB 3.25Å; L391-K395 WeakPolarHBondContact O-CB 3.13Å; L391-K395 PolarHBondContact O-N 2.61Å; A392-K395 PolarHBondContact O-N 3.11Å; A393-K395 VanDerWaalsContact C-N 3.34Å; A393-K395 PolarHBondContact O-N 3.12Å; K395-M398 PolarHBondContact O-N 2.99Å; K395-Q399 PolarHBondContact O-N 3.37Å
396Q91.8Very high90.4Very high133 Ų133102.5 Ų102.562%0.62151%0.506SS*.Hα-helixtrans-63.5-43.1176.1-76.3-179.8-16.400111.7A392 A393 E394 Q399 Q400A392-Q396 WeakPolarHBondContact O-CG 3.26Å; A392-Q396 PolarHBondContact O-N 3.37Å; A393-Q396 PolarHBondContact O-N 3.24Å; E394-Q396 PolarHBondContact O-N 3.47Å; Q396-Q399 PolarHBondContact O-N 3.01Å; Q396-Q400 WeakPolarHBondContact O-CG 3.46Å; Q396-Q400 PolarHBondContact O-N 2.74Å
397Q92.2Very high90.5Very high114 Ų114104.3 Ų104.353%0.53351%0.513SS..Hα-helixtrans-61.8-43.9176.2-173.8-177.33.300111.6A393 E394 Q399 Q400 N401A393-Q397 PolarHBondContact O-N 3.33Å; E394-Q397 PolarHBondContact O-N 2.72Å; Q397-Q399 VanDerWaalsContact C-N 3.34Å; Q397-Q399 PolarHBondContact O-N 3.06Å; Q397-Q400 PolarHBondContact O-N 2.82Å; Q397-N401 VanDerWaalsContact O-CG 3.28Å; Q397-N401 PolarHBondContact O-N 2.75Å
398M90.2Very high90.7Very high96 Ų96101.2 Ų101.247%0.47351%0.507SS..Hα-helixtrans-61.2-42.1174.8-75.5-169.4-68.400111.9E394 K395 Q400 N401 L402E394-M398 HydrophobicContact CG-CE 4.35Å; E394-M398 WeakPolarHBondContact O-CG 3.41Å; E394-M398 PolarHBondContact O-N 2.99Å; K395-M398 PolarHBondContact O-N 2.99Å; M398-Q400 VanDerWaalsContact C-N 3.34Å; M398-Q400 PolarHBondContact O-N 3.15Å; M398-N401 PolarHBondContact O-N 3.09Å; M398-L402 WeakPolarHBondContact O-CG 3.32Å; M398-L402 PolarHBondContact O-N 2.86Å
399Q92.3Very high90.5Very high102 Ų10296.7 Ų96.748%0.47749%0.493SS..Hα-helixtrans-62.3-41.7177.2-168.76540.200111.9K395 Q396 Q397 N401 L402 N403K395-Q399 PolarHBondContact O-N 3.37Å; Q396-Q399 PolarHBondContact O-N 3.01Å; Q397-Q399 VanDerWaalsContact C-N 3.34Å; Q397-Q399 PolarHBondContact O-N 3.06Å; Q399-N401 VanDerWaalsContact C-N 3.35Å; Q399-L402 PolarHBondContact O-N 3.27Å; Q399-N403 PolarHBondContact NE2-OD1 2.98Å; Q399-N403 VanDerWaalsContact O-CG 3.23Å; Q399-N403 PolarHBondContact O-N 2.9Å; Q399-N403 PolarHBondContact O-OD1 2.74Å
400Q91Very high90.2Very high115 Ų11594.1 Ų94.154%0.53748%0.483SS..Hα-helixtrans-63-41.8174.5-70.4176.7-0.600111.9Q396 Q397 M398 L402 N403 K404Q396-Q400 WeakPolarHBondContact O-CG 3.46Å; Q396-Q400 PolarHBondContact O-N 2.74Å; Q397-Q400 PolarHBondContact O-N 2.82Å; M398-Q400 VanDerWaalsContact C-N 3.34Å; M398-Q400 PolarHBondContact O-N 3.15Å; Q400-L402 VanDerWaalsContact C-N 3.35Å; Q400-N403 PolarHBondContact O-N 3.49Å; Q400-K404 WeakPolarHBondContact O-CG 3.42Å; Q400-K404 PolarHBondContact O-N 3.32Å
401N91.3Very high90Very high80 Ų8094.9 Ų94.943%0.42848%0.484SS..Hα-helixtrans-64.8-39.7177.1-70.4-15.7000111.8Q397 M398 Q399 K404 L405Q397-N401 VanDerWaalsContact O-CG 3.28Å; Q397-N401 PolarHBondContact O-N 2.75Å; M398-N401 PolarHBondContact O-N 3.09Å; Q399-N401 VanDerWaalsContact C-N 3.35Å; N401-K404 PolarHBondContact O-N 3.16Å; N401-L405 WeakPolarHBondContact O-CB 3.16Å; N401-L405 PolarHBondContact O-N 3.47Å
402L90.9Very high89.6Confident99 Ų9996.5 Ų96.552%0.51849%0.491SS..Hα-helixtrans-62.7-43.7173.6-74.8174000111.7M398 Q399 Q400 K404 L405 S406M398-L402 WeakPolarHBondContact O-CG 3.32Å; M398-L402 PolarHBondContact O-N 2.86Å; Q399-L402 PolarHBondContact O-N 3.27Å; Q400-L402 VanDerWaalsContact C-N 3.35Å; L402-K404 VanDerWaalsContact C-N 3.34Å; L402-K404 PolarHBondContact O-N 3.29Å; L402-L405 PolarHBondContact O-N 2.9Å; L402-S406 PolarHBondContact O-N 2.95Å; L402-S406 PolarHBondContact O-OG 3.32Å
403N91.2Very high89.3Confident88 Ų8899.4 Ų99.447%0.47149%0.491SS..Hα-helixtrans-64.1-38.3177.3-67.8-3.6000112.1Q399 Q400 S406 H407Q399-N403 PolarHBondContact NE2-OD1 2.98Å; Q399-N403 VanDerWaalsContact O-CG 3.23Å; Q399-N403 PolarHBondContact O-N 2.9Å; Q399-N403 PolarHBondContact O-OD1 2.74Å; Q400-N403 PolarHBondContact O-N 3.49Å; N403-S406 WeakPolarHBondContact CA-OG 3.4Å; N403-S406 PolarHBondContact O-N 3.46Å; N403-S406 PolarHBondContact O-OG 2.95Å; N403-H407 WeakPolarHBondContact O-CB 3.14Å; N403-H407 PolarHBondContact O-N 3.46Å
404K90Very high89Confident137 Ų137104.9 Ų104.960%0.59650%0.501SS*.Hα-helixtrans-64.2-43173.4-72.7173.1-177.1176.10111.5Q400 N401 L402 H407 L408Q400-K404 WeakPolarHBondContact O-CG 3.42Å; Q400-K404 PolarHBondContact O-N 3.32Å; N401-K404 PolarHBondContact O-N 3.16Å; L402-K404 VanDerWaalsContact C-N 3.34Å; L402-K404 PolarHBondContact O-N 3.29Å; K404-H407 PolarHBondContact O-N 3.25Å; K404-L408 PolarHBondContact O-N 2.91Å
405L89.6Confident88.5Confident100 Ų100103.7 Ų103.752%0.52451%0.505SS..Hα-helixtrans-64.6-43.2177.3-174.467.9000111.2N401 L402 H407 L408 T409N401-L405 WeakPolarHBondContact O-CB 3.16Å; N401-L405 PolarHBondContact O-N 3.47Å; L402-L405 PolarHBondContact O-N 2.9Å; L405-H407 VanDerWaalsContact C-N 3.28Å; L405-H407 PolarHBondContact O-N 2.72Å; L405-L408 PolarHBondContact O-N 2.96Å; L405-T409 WeakPolarHBondContact O-CG2 3.21Å; L405-T409 PolarHBondContact O-N 3.29Å; L405-T409 PolarHBondContact O-OG1 3.3Å
406S89.5Confident87.9Confident63 Ų63101 Ų10144%0.44150%0.497SS..Hα-helixtrans-64-34.8176.160.10000112.4L402 N403 T409 E410L402-S406 PolarHBondContact O-N 2.95Å; L402-S406 PolarHBondContact O-OG 3.32Å; N403-S406 WeakPolarHBondContact CA-OG 3.4Å; N403-S406 PolarHBondContact O-N 3.46Å; N403-S406 PolarHBondContact O-OG 2.95Å; S406-T409 WeakPolarHBondContact CA-OG1 3.09Å; S406-T409 PolarHBondContact O-OG1 2.69Å; S406-E410 WeakPolarHBondContact O-CB 3.07Å; S406-E410 PolarHBondContact O-N 2.81Å; S406-E410 VanDerWaalsContact O-N 3.1Å
407H89Confident87.4Confident117 Ų11799.8 Ų99.854%0.54249%0.491SS..Hα-helixtrans-67.1-46174.7-173.951.5000111.4N403 K404 L405 T409 E410 E411N403-H407 WeakPolarHBondContact O-CB 3.14Å; N403-H407 PolarHBondContact O-N 3.46Å; K404-H407 PolarHBondContact O-N 3.25Å; L405-H407 VanDerWaalsContact C-N 3.28Å; L405-H407 PolarHBondContact O-N 2.72Å; H407-T409 VanDerWaalsContact C-N 3.33Å; H407-T409 PolarHBondContact O-N 3.02Å; H407-E410 WeakPolarHBondContact O-CB 3.48Å; H407-E410 PolarHBondContact O-N 3.34Å; H407-E410 VanDerWaalsContact O-N 3.15Å; H407-E411 IonicContact NE2-OE1 3.08Å; H407-E411 PolarHBondContact O-N 3.25Å
408L88.8Confident86.9Confident87 Ų8796 Ų9646%0.45548%0.482SS..Hα-helixtrans-60.4-41.7176.5-17669.9000111.9K404 L405 E410 E411 M412K404-L408 PolarHBondContact O-N 2.91Å; L405-L408 PolarHBondContact O-N 2.96Å; L408-E410 VanDerWaalsContact C-N 3.3Å; L408-E410 PolarHBondContact O-N 2.95Å; L408-E411 PolarHBondContact O-N 3.3Å; L408-M412 WeakPolarHBondContact O-CG 3.44Å; L408-M412 PolarHBondContact O-N 3.02Å
409T86.5Confident86.3Confident65 Ų6597.8 Ų97.840%0.39949%0.49SS..Hα-helixtrans-67.6-30.9177.454.40000112.5L405 S406 H407 R413L405-T409 WeakPolarHBondContact O-CG2 3.21Å; L405-T409 PolarHBondContact O-N 3.29Å; L405-T409 PolarHBondContact O-OG1 3.3Å; S406-T409 WeakPolarHBondContact CA-OG1 3.09Å; S406-T409 PolarHBondContact O-OG1 2.69Å; H407-T409 VanDerWaalsContact C-N 3.33Å; H407-T409 PolarHBondContact O-N 3.02Å; T409-R413 WeakPolarHBondContact O-CB 3.08Å; T409-R413 PolarHBondContact O-N 3.28Å
410E87.8Confident85.5Confident69 Ų6999.5 Ų99.532%0.32250%0.495SS..Hα-helixtrans-68-44.2172-158.670.4-155.300111.6S406 H407 L408 R413 R414S406-E410 WeakPolarHBondContact O-CB 3.07Å; S406-E410 PolarHBondContact O-N 2.81Å; S406-E410 VanDerWaalsContact O-N 3.1Å; H407-E410 WeakPolarHBondContact O-CB 3.48Å; H407-E410 PolarHBondContact O-N 3.34Å; H407-E410 VanDerWaalsContact O-N 3.15Å; L408-E410 VanDerWaalsContact C-N 3.3Å; L408-E410 PolarHBondContact O-N 2.95Å; E410-R413 WeakPolarHBondContact O-CB 3.24Å; E410-R413 PolarHBondContact O-N 2.78Å; E410-R413 IonicContact OE1-CZ 3.99Å; E410-R413 IonicContact OE1-NH1 3.59Å; E410-R413 PolarHBondContact OE1-NH1 2.96Å; E410-R413 IonicContact OE1-NH2 2.77Å; E410-R413 IonicContact OE2-CZ 2.68Å; E410-R413 IonicContact OE2-NH1 3.62Å; E410-R413 PolarHBondContact OE2-NH1 3.27Å; E410-R413 IonicContact OE2-NH2 2.81Å; E410-R413 PolarHBondContact OE2-NH2 2.92Å; E410-R414 WeakPolarHBondContact O-CG 3.14Å; E410-R414 PolarHBondContact O-N 3.04Å
411E84.2Confident84.5Confident104 Ų10499.8 Ų99.849%0.48650%0.5SS..Hα-helixtrans-62.2-44.2175.2-71.3-170.7147.700111.8H407 L408 R413 R414 A415H407-E411 IonicContact NE2-OE1 3.08Å; H407-E411 PolarHBondContact O-N 3.25Å; L408-E411 PolarHBondContact O-N 3.3Å; E411-R413 VanDerWaalsContact C-N 3.29Å; E411-R413 PolarHBondContact O-N 3.03Å; E411-R414 PolarHBondContact O-N 3.47Å; E411-A415 WeakPolarHBondContact O-CB 3.32Å; E411-A415 PolarHBondContact O-N 3.23Å
412M81.7Confident83.7Confident124 Ų124101.4 Ų101.461%0.61151%0.506SS*.Hα-helixtrans-60.7-39.1174.1-73.2-177.370.700111.8L408 A415 L416L408-M412 WeakPolarHBondContact O-CG 3.44Å; L408-M412 PolarHBondContact O-N 3.02Å; M412-A415 PolarHBondContact O-N 3.43Å; M412-L416 WeakPolarHBondContact O-CB 3.37Å; M412-L416 PolarHBondContact O-N 3.48Å
413R85.4Confident83Confident110 Ų11099.5 Ų99.542%0.41551%0.505SS..Hα-helixtrans-64.1-45.9176.5-165.7-171.9-47.6134.618.9111.4T409 E410 E411 A415 L416 E417T409-R413 WeakPolarHBondContact O-CB 3.08Å; T409-R413 PolarHBondContact O-N 3.28Å; E410-R413 WeakPolarHBondContact O-CB 3.24Å; E410-R413 PolarHBondContact O-N 2.78Å; E410-R413 IonicContact OE1-CZ 3.99Å; E410-R413 IonicContact OE1-NH1 3.59Å; E410-R413 PolarHBondContact OE1-NH1 2.96Å; E410-R413 IonicContact OE1-NH2 2.77Å; E410-R413 IonicContact OE2-CZ 2.68Å; E410-R413 IonicContact OE2-NH1 3.62Å; E410-R413 PolarHBondContact OE2-NH1 3.27Å; E410-R413 IonicContact OE2-NH2 2.81Å; E410-R413 PolarHBondContact OE2-NH2 2.92Å; E411-R413 VanDerWaalsContact C-N 3.29Å; E411-R413 PolarHBondContact O-N 3.03Å; R413-A415 PolarHBondContact O-N 2.97Å; R413-L416 PolarHBondContact O-N 3.23Å; R413-E417 WeakPolarHBondContact O-CG 3.43Å; R413-E417 PolarHBondContact O-N 3.04Å
414R83.5Confident82Confident170 Ų17097.9 Ų97.964%0.64250%0.503SS*.Hα-helixtrans-63-40.3175.9-70.1179.2-175-172.40.4112.3E410 E411 L416 E417 G418E410-R414 WeakPolarHBondContact O-CG 3.14Å; E410-R414 PolarHBondContact O-N 3.04Å; E411-R414 PolarHBondContact O-N 3.47Å; R414-L416 VanDerWaalsContact C-N 3.35Å; R414-E417 PolarHBondContact O-N 3.47Å; R414-G418 PolarHBondContact O-N 3.04Å
415A79.1Confident81.3Confident56 Ų5695.6 Ų95.646%0.46350%0.497SS..Hα-helixtrans-63.9-41.5175.500000111.5E411 M412 R413 G418 Q419E411-A415 WeakPolarHBondContact O-CB 3.32Å; E411-A415 PolarHBondContact O-N 3.23Å; M412-A415 PolarHBondContact O-N 3.43Å; R413-A415 PolarHBondContact O-N 2.97Å; A415-G418 PolarHBondContact O-N 2.97Å; A415-Q419 WeakPolarHBondContact O-CB 3.32Å; A415-Q419 WeakPolarHBondContact O-CG 3.41Å; A415-Q419 PolarHBondContact O-N 3.04Å
416L80.7Confident80.8Confident91 Ų9197.9 Ų97.948%0.47650%0.503SS..Hα-helixtrans-65.4-42.3175.8-169.975.8000111.8M412 R413 R414 Q419 K420M412-L416 WeakPolarHBondContact O-CB 3.37Å; M412-L416 PolarHBondContact O-N 3.48Å; R413-L416 PolarHBondContact O-N 3.23Å; R414-L416 VanDerWaalsContact C-N 3.35Å; L416-Q419 PolarHBondContact O-N 3.46Å; L416-K420 WeakPolarHBondContact O-CG 3.44Å; L416-K420 PolarHBondContact O-N 3.46Å
417E81.1Confident80.4Confident109 Ų109102.3 Ų102.351%0.50952%0.515SS..Hα-helixtrans-62.8-43.5173.9-75.6170.4-171.300111.5R413 R414 Q419 K420 L421R413-E417 WeakPolarHBondContact O-CG 3.43Å; R413-E417 PolarHBondContact O-N 3.04Å; R414-E417 PolarHBondContact O-N 3.47Å; E417-Q419 PolarHBondContact O-N 3.44Å; E417-K420 PolarHBondContact O-N 3.45Å; E417-L421 WeakPolarHBondContact O-CB 3.46Å; E417-L421 PolarHBondContact O-N 3.06Å
418G80.8Confident79.7Confident33 Ų33102 Ų10234%0.3452%0.516SS..Hα-helixtrans-62.1-40.7174.400000112.9R414 A415 L421 M422R414-G418 PolarHBondContact O-N 3.04Å; A415-G418 PolarHBondContact O-N 2.97Å; G418-L421 PolarHBondContact O-N 3.31Å; G418-M422 WeakPolarHBondContact O-CB 3.45Å; G418-M422 WeakPolarHBondContact O-CG 3.13Å; G418-M422 PolarHBondContact O-N 2.97Å
419Q77.7Confident79.1Confident135 Ų135103 Ų10363%0.63152%0.521SS*.Hα-helixtrans-65.3-41.4173.9-77.6-176.4-5.600112.3A415 L416 E417 L421 M422 A423A415-Q419 WeakPolarHBondContact O-CB 3.32Å; A415-Q419 WeakPolarHBondContact O-CG 3.41Å; A415-Q419 PolarHBondContact O-N 3.04Å; L416-Q419 PolarHBondContact O-N 3.46Å; E417-Q419 PolarHBondContact O-N 3.44Å; Q419-L421 VanDerWaalsContact C-N 3.33Å; Q419-M422 PolarHBondContact O-N 3.18Å; Q419-A423 VanDerWaalsContact O-CB 3.32Å; Q419-A423 WeakPolarHBondContact O-CB 3.43Å; Q419-A423 PolarHBondContact O-N 2.9Å
420K76.4Confident78.6Confident138 Ų138102.3 Ų102.360%0.652%0.522SS*.Hα-helixtrans-61-42.6173.6-74.7176.6179.7-1770111.5L416 E417 A423 A424L416-K420 WeakPolarHBondContact O-CG 3.44Å; L416-K420 PolarHBondContact O-N 3.46Å; E417-K420 PolarHBondContact O-N 3.45Å; K420-A423 PolarHBondContact O-N 3Å; K420-A424 WeakPolarHBondContact O-CB 3.5Å; K420-A424 PolarHBondContact O-N 3.31Å
421L70.2Confident77.9Confident120 Ų120101.4 Ų101.463%0.62852%0.524SS*.Hα-helixtrans-61.7-47.8174.8-114.6160.8000111.5E417 G418 Q419 A423 A424 L425E417-L421 WeakPolarHBondContact O-CB 3.46Å; E417-L421 PolarHBondContact O-N 3.06Å; G418-L421 PolarHBondContact O-N 3.31Å; Q419-L421 VanDerWaalsContact C-N 3.33Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-A423 PolarHBondContact O-N 3.46Å; L421-A424 PolarHBondContact O-N 3.36Å; L421-L425 WeakPolarHBondContact O-CB 3.41Å; L421-L425 PolarHBondContact O-N 3.05Å
422M74.7Confident77.2Confident115 Ų115100.5 Ų100.557%0.56753%0.526SS*.Hα-helixtrans-62.8-38.5176.9-75.4-62.2-61.800112.7G418 Q419 L425 K426G418-M422 WeakPolarHBondContact O-CB 3.45Å; G418-M422 WeakPolarHBondContact O-CG 3.13Å; G418-M422 PolarHBondContact O-N 2.97Å; Q419-M422 PolarHBondContact O-N 3.18Å; M422-L425 PolarHBondContact O-N 3.05Å; M422-K426 WeakPolarHBondContact O-CB 3.48Å; M422-K426 WeakPolarHBondContact O-CG 3.18Å; M422-K426 PolarHBondContact O-N 3.4Å
423A75.1Confident76Confident59 Ų5998 Ų9849%0.48852%0.52SS..Hα-helixtrans-66.3-43.2175.400000111.5Q419 K420 L421 L425 K426 F427Q419-A423 VanDerWaalsContact O-CB 3.32Å; Q419-A423 WeakPolarHBondContact O-CB 3.43Å; Q419-A423 PolarHBondContact O-N 2.9Å; K420-A423 PolarHBondContact O-N 3Å; L421-A423 VanDerWaalsContact C-N 3.34Å; L421-A423 PolarHBondContact O-N 3.46Å; A423-L425 VanDerWaalsContact C-N 3.33Å; A423-L425 PolarHBondContact O-N 3.38Å; A423-K426 PolarHBondContact O-N 2.69Å; A423-F427 WeakPolarHBondContact O-CB 3.36Å; A423-F427 PolarHBondContact O-N 2.99Å
424A70.9Confident74.6Confident53 Ų5398.7 Ų98.744%0.43853%0.532SS..Hα-helixtrans-62.5-39.8174.600000112K420 L421 F427 L428K420-A424 WeakPolarHBondContact O-CB 3.5Å; K420-A424 PolarHBondContact O-N 3.31Å; L421-A424 PolarHBondContact O-N 3.36Å; A424-F427 PolarHBondContact O-N 3.13Å; A424-L428 PolarHBondContact O-N 3.4Å
425L74.2Confident73Confident89 Ų8998.8 Ų98.847%0.46654%0.54SS..Hα-helixtrans-69-42178.4-140.6154.8000111.5L421 M422 A423 F427 L428 L429L421-L425 WeakPolarHBondContact O-CB 3.41Å; L421-L425 PolarHBondContact O-N 3.05Å; M422-L425 PolarHBondContact O-N 3.05Å; A423-L425 VanDerWaalsContact C-N 3.33Å; A423-L425 PolarHBondContact O-N 3.38Å; L425-F427 VanDerWaalsContact C-N 3.34Å; L425-F427 PolarHBondContact O-N 3.49Å; L425-L428 PolarHBondContact O-N 3.27Å; L425-L429 HydrophobicContact CD2-CD1 3.84Å; L425-L429 HydrophobicContact CD2-CG 4.25Å; L425-L429 WeakPolarHBondContact O-CG 3.5Å; L425-L429 PolarHBondContact O-N 3.42Å
426K80Confident71.5Confident148 Ų148105.3 Ų105.364%0.64356%0.558SS**Hα-helixtrans-60.8-41.3171-79.6-174.3178.1-174.80112.1M422 A423 L429 A430M422-K426 WeakPolarHBondContact O-CB 3.48Å; M422-K426 WeakPolarHBondContact O-CG 3.18Å; M422-K426 PolarHBondContact O-N 3.4Å; A423-K426 PolarHBondContact O-N 2.69Å; K426-L429 PolarHBondContact O-N 3.41Å; K426-A430 WeakPolarHBondContact O-CB 3.46Å; K426-A430 PolarHBondContact O-N 3.18Å
427F81Confident69.7Low156 Ų156112.8 Ų112.868%0.68459%0.587SS**Hα-helixtrans-63.4-45177.3-177.9-95.1000111.7A423 A424 L425 A430 S431A423-F427 WeakPolarHBondContact O-CB 3.36Å; A423-F427 PolarHBondContact O-N 2.99Å; A424-F427 PolarHBondContact O-N 3.13Å; L425-F427 VanDerWaalsContact C-N 3.34Å; L425-F427 PolarHBondContact O-N 3.49Å; F427-A430 PolarHBondContact O-N 3.47Å; F427-S431 PolarHBondContact O-N 3.46Å; F427-S431 PolarHBondContact O-OG 3.15Å
428L73.3Confident69.1Low110 Ų110113 Ų11358%0.57659%0.591SS**Hα-helixtrans-59.8-46.9174.8-85.2162.5000112.1A424 L425 A430 S431 T432A424-L428 PolarHBondContact O-N 3.4Å; L425-L428 PolarHBondContact O-N 3.27Å; L428-A430 VanDerWaalsContact C-N 3.34Å; L428-A430 PolarHBondContact O-N 3.49Å; L428-S431 WeakPolarHBondContact CA-OG 3.4Å; L428-S431 PolarHBondContact O-N 3.15Å; L428-S431 PolarHBondContact O-OG 2.98Å; L428-S431 VanDerWaalsContact O-OG 3.11Å; L428-T432 WeakPolarHBondContact O-CG2 3.31Å; L428-T432 PolarHBondContact O-N 3.04Å; L428-T432 PolarHBondContact O-OG1 3.38Å
429L77.4Confident68.5Low108 Ų108117.2 Ų117.257%0.56560%0.604SS**Hα-helixtrans-61.6-42.7177.2-72169.8000111.8L425 K426 S431 T432 S433L425-L429 HydrophobicContact CD2-CD1 3.84Å; L425-L429 HydrophobicContact CD2-CG 4.25Å; L425-L429 WeakPolarHBondContact O-CG 3.5Å; L425-L429 PolarHBondContact O-N 3.42Å; K426-L429 PolarHBondContact O-N 3.41Å; L429-S431 VanDerWaalsContact C-N 3.34Å; L429-S431 PolarHBondContact O-N 3.33Å; L429-T432 PolarHBondContact O-N 3.26Å; L429-T432 PolarHBondContact O-OG1 3.29Å; L429-S433 PolarHBondContact O-N 3.34Å; L429-S433 VanDerWaalsContact O-N 3.15Å
430A75.8Confident68Low51 Ų51116.2 Ų116.242%0.42160%0.602SS.*Hα-helixtrans-67.6-30.3177.400000113.4K426 F427 L428 S433K426-A430 WeakPolarHBondContact O-CB 3.46Å; K426-A430 PolarHBondContact O-N 3.18Å; F427-A430 PolarHBondContact O-N 3.47Å; L428-A430 VanDerWaalsContact C-N 3.34Å; L428-A430 PolarHBondContact O-N 3.49Å; A430-S433 PolarHBondContact O-OG 2.99Å; A430-S433 VanDerWaalsContact O-OG 3.1Å
431S72.1Confident67.5Low51 Ų51114.9 Ų114.936%0.35760%0.602SS.*Hα-helixtrans-73.9-37174.721.60000111.4F427 L428 L429 S433 N434F427-S431 PolarHBondContact O-N 3.46Å; F427-S431 PolarHBondContact O-OG 3.15Å; L428-S431 WeakPolarHBondContact CA-OG 3.4Å; L428-S431 PolarHBondContact O-N 3.15Å; L428-S431 PolarHBondContact O-OG 2.98Å; L428-S431 VanDerWaalsContact O-OG 3.11Å; L429-S431 VanDerWaalsContact C-N 3.34Å; L429-S431 PolarHBondContact O-N 3.33Å; S431-S433 VanDerWaalsContact C-N 3.33Å; S431-S433 PolarHBondContact O-N 3.22Å; S431-N434 PolarHBondContact O-N 3.19Å
432T69.5Low67.3Low85 Ų85114.6 Ų114.652%0.52160%0.601SS.*Hα-helixtrans-69.7-25.617560.90000114.1L428 L429L428-T432 WeakPolarHBondContact O-CG2 3.31Å; L428-T432 PolarHBondContact O-N 3.04Å; L428-T432 PolarHBondContact O-OG1 3.38Å; L429-T432 PolarHBondContact O-N 3.26Å; L429-T432 PolarHBondContact O-OG1 3.29Å
433S58.2Low66.8Low71 Ų71114.6 Ų114.650%0.49760%0.603SS.*Hα-helixtrans-79.6-20.3178.266.20000113.7L429 A430 S431L429-S433 PolarHBondContact O-N 3.34Å; L429-S433 VanDerWaalsContact O-N 3.15Å; A430-S433 PolarHBondContact O-OG 2.99Å; A430-S433 VanDerWaalsContact O-OG 3.1Å; S431-S433 VanDerWaalsContact C-N 3.33Å; S431-S433 PolarHBondContact O-N 3.22Å
434N54.3Low66.2Low125 Ų125118.6 Ų118.667%0.66861%0.611SS**Hα-helixtrans-82.9-14.8177.9-79.2-17000113.8S431 K436S431-N434 PolarHBondContact O-N 3.19Å; N434-K436 VanDerWaalsContact C-N 3.33Å
435E51.4Low65.8Low171 Ų171123.6 Ų123.680%0.79963%0.625SS**THydrogen-bonded Turntrans-83.9-3.4174.2-78.4-173.9159.800113.9
436K46.8Very low65.1Low193 Ų193126.5 Ų126.584%0.83964%0.638SS**THydrogen-bonded Turntrans-110.720.8-178.7-72-170176.5-177.60114.7N434N434-K436 VanDerWaalsContact C-N 3.33Å
437K42.1Very low63.8Low249 Ų249124.5 Ų124.5100%1.08364%0.637SS**  trans-119.40162.7-77.8-175.2177.2-179.60108.4

Retrieved 437 of 437 residues in 87.6 ms (Link to these results)