A0A087Y5B4_POEFO Loading...

Vezatin

AlphaFold DB , UniProt , Accession A0A087Y5B4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 804 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
1M31.9Very low42Very low246 Ų246147.1 Ų147.1100%1.21273%0.731SS**  0141.80-70.9172.8-177.200106.1
2T31.8Very low43.2Very low121 Ų121143.1 Ų143.174%0.74271%0.709SS**  trans-73139.5178.837.30000110.2
3E36.1Very low44.3Very low178 Ų178143.2 Ų143.283%0.83271%0.713SS**  trans-117.5109.1148.6-76.8-176.5157.600105.2
4E33Very low46.4Very low160 Ų160134.9 Ų134.975%0.74868%0.676SS**  trans-68.5127167.3-71.4149.614100107.1
5F29.8Very low47.4Very low191 Ų191133.7 Ų133.784%0.83868%0.682SS**  trans-98.6109.6155.6-90-89.4000105.6E7F5-E7 PolarHBondContact O-N 3.27Å
6D38Very low48.3Very low142 Ų142131.8 Ų131.876%0.75967%0.673SS**  trans-60.7124.9173.9-68.2-50.2000109.1
7E44.2Very low49.7Very low170 Ų170126.9 Ų126.979%0.79465%0.646SS**  trans-79.5120.3166.8-69.1178.6159.900107.6F5 V9F5-E7 PolarHBondContact O-N 3.27Å; E7-V9 PolarHBondContact O-N 3.22Å
8D48Very low50.9Low145 Ų145125.5 Ų125.578%0.77564%0.636SS**  trans-67.385.2-173.4-78-52.5000112.2V10D8-V10 PolarHBondContact O-N 3.41Å; D8-V10 VanDerWaalsContact O-N 3.07Å
9V55.2Low51.9Low84 Ų84126.5 Ų126.551%0.50963%0.633SS.*  trans-72.499.3175.6-175.50000110.2E7E7-V9 PolarHBondContact O-N 3.22Å
10V57.2Low52.7Low23 Ų23122.2 Ų122.214%0.13961%0.611CS.*  trans-82.8115.8175.2-173.80000110.2D8 E12 S14 L16 F17 L20D8-V10 PolarHBondContact O-N 3.41Å; D8-V10 VanDerWaalsContact O-N 3.07Å; V10-E12 PolarHBondContact O-N 3.1Å; V10-S14 WeakPolarHBondContact CG1-OG 3.38Å; V10-L16 HydrophobicContact CG1-CD2 4.41Å; V10-L16 HydrophobicContact CG2-CD2 4.23Å; V10-F17 HydrophobicContact CG1-CB 3.81Å; V10-F17 HydrophobicContact CG1-CD2 4.23Å; V10-L20 HydrophobicContact CG2-CD1 4.44Å
11F57Low53.6Low158 Ų158120.9 Ų120.969%0.69360%0.604SS**  trans-65.2132.6176-64.4-84.1000112N13 S14F11-N13 PolarHBondContact O-N 3.2Å; F11-S14 VanDerWaalsContact O-CB 3.29Å; F11-S14 WeakPolarHBondContact O-CB 3.3Å; F11-S14 PolarHBondContact O-N 3.33Å; F11-S14 VanDerWaalsContact O-N 3.1Å; F11-S14 PolarHBondContact O-OG 2.68Å
12E55.7Low55.5Low99 Ų99115.4 Ų115.446%0.46358%0.579SS.*THydrogen-bonded Turntrans-55.5136.4171.8-66.7-176.415800110.3V10 S14 F17 S30V10-E12 PolarHBondContact O-N 3.1Å; E12-S14 VanDerWaalsContact C-N 3.31Å; E12-S14 PolarHBondContact O-N 3.37Å; E12-F17 HydrophobicContact CG-CE2 4.44Å; E12-S30 WeakPolarHBondContact OE1-CB 3.36Å; E12-S30 PolarHBondContact OE1-OG 3.17Å; E12-S30 VanDerWaalsContact OE1-OG 3.13Å
13N58.3Low57.2Low144 Ų144114.5 Ų114.577%0.7757%0.569SS**THydrogen-bonded Turntrans70.710.6-173.8-41.2-76.8000116.3F11F11-N13 PolarHBondContact O-N 3.2Å
14S73.3Confident58Low28 Ų28108.7 Ų108.720%0.19656%0.557CS.*  trans-71.8151.1165.966.40000111.6V10 F11 E12 L16 F17 Q18V10-S14 WeakPolarHBondContact CG1-OG 3.38Å; F11-S14 VanDerWaalsContact O-CB 3.29Å; F11-S14 WeakPolarHBondContact O-CB 3.3Å; F11-S14 PolarHBondContact O-N 3.33Å; F11-S14 VanDerWaalsContact O-N 3.1Å; F11-S14 PolarHBondContact O-OG 2.68Å; E12-S14 VanDerWaalsContact C-N 3.31Å; E12-S14 PolarHBondContact O-N 3.37Å; S14-L16 PolarHBondContact O-N 3.44Å; S14-L16 VanDerWaalsContact O-N 3.15Å; S14-F17 WeakPolarHBondContact O-CB 3.42Å; S14-F17 PolarHBondContact O-N 3.32Å; S14-F17 VanDerWaalsContact O-N 3.08Å; S14-F17 WeakPolarHBondContact OG-CB 3.39Å; S14-F17 PolarHBondContact OG-N 2.68Å; S14-Q18 PolarHBondContact O-N 3.33Å
15P61.5Low59Low116 Ų116105.8 Ų105.875%0.75354%0.544SS*.Hα-helixtrans-59.2-26.4175-25.134.7000113.6Y19P15-Y19 PolarHBondContact O-N 3.37Å
16L61.4Low60.2Low104 Ų104102.4 Ų102.455%0.54554%0.539SS..Hα-helixtrans-71-42.3175.4-162.981.7000111.6V10 S14 Q18 Y19 L20V10-L16 HydrophobicContact CG1-CD2 4.41Å; V10-L16 HydrophobicContact CG2-CD2 4.23Å; S14-L16 PolarHBondContact O-N 3.44Å; S14-L16 VanDerWaalsContact O-N 3.15Å; L16-Q18 VanDerWaalsContact C-N 3.34Å; L16-Q18 PolarHBondContact O-N 3.18Å; L16-Y19 PolarHBondContact O-N 3.46Å; L16-L20 HydrophobicContact CD2-CD1 4.35Å; L16-L20 HydrophobicContact CG-CD1 4.13Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.37Å
17F72.9Confident60.9Low49 Ų49101.9 Ų101.922%0.21554%0.536CS..Hα-helixtrans-57.3-47.5174-176.5-94.5000111.3V10 E12 S14 Y19 L20 Q21V10-F17 HydrophobicContact CG1-CB 3.81Å; V10-F17 HydrophobicContact CG1-CD2 4.23Å; E12-F17 HydrophobicContact CG-CE2 4.44Å; S14-F17 WeakPolarHBondContact O-CB 3.42Å; S14-F17 PolarHBondContact O-N 3.32Å; S14-F17 VanDerWaalsContact O-N 3.08Å; S14-F17 WeakPolarHBondContact OG-CB 3.39Å; S14-F17 PolarHBondContact OG-N 2.68Å; F17-Y19 PolarHBondContact O-N 3.1Å; F17-L20 PolarHBondContact O-N 3.43Å; F17-Q21 WeakPolarHBondContact O-CB 3.47Å; F17-Q21 PolarHBondContact O-N 3.12Å
18Q71.9Confident61.5Low101 Ų10198 Ų9847%0.47252%0.517SS..Hα-helixtrans-58.3-47.3177.8-151.19055.800111.4S14 L16 L20 Q21 D22S14-Q18 PolarHBondContact O-N 3.33Å; L16-Q18 VanDerWaalsContact C-N 3.34Å; L16-Q18 PolarHBondContact O-N 3.18Å; Q18-L20 PolarHBondContact O-N 3.16Å; Q18-Q21 PolarHBondContact O-N 2.58Å; Q18-D22 WeakPolarHBondContact O-CB 3.36Å; Q18-D22 VanDerWaalsContact O-CG 3.28Å; Q18-D22 PolarHBondContact O-N 3.46Å
19Y69.9Low61.4Low145 Ų145100 Ų10057%0.56952%0.521SS*.Hα-helixtrans-66.6-36-179-176.4-101.5000113.5P15 L16 F17 L23P15-Y19 PolarHBondContact O-N 3.37Å; L16-Y19 PolarHBondContact O-N 3.46Å; F17-Y19 PolarHBondContact O-N 3.1Å; Y19-L23 HydrophobicContact CD1-CD1 3.93Å; Y19-L23 HydrophobicContact CE1-CD1 3.44Å; Y19-L23 VanDerWaalsContact CE1-CD1 3.44Å; Y19-L23 HydrophobicContact CE1-CG 4.48Å; Y19-L23 WeakPolarHBondContact O-CG 3.45Å; Y19-L23 PolarHBondContact O-N 2.98Å
20L67.6Low60.8Low39 Ų3999.3 Ų99.320%0.20452%0.52CS..Hα-helixtrans-72.6-36176-70.4167.9000112V10 L16 F17 Q18 L23 G24 H25 F28V10-L20 HydrophobicContact CG2-CD1 4.44Å; L16-L20 HydrophobicContact CD2-CD1 4.35Å; L16-L20 HydrophobicContact CG-CD1 4.13Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.37Å; F17-L20 PolarHBondContact O-N 3.43Å; Q18-L20 PolarHBondContact O-N 3.16Å; L20-L23 PolarHBondContact O-N 3.21Å; L20-G24 PolarHBondContact O-N 3.47Å; L20-H25 PolarHBondContact O-N 3.24Å; L20-H25 VanDerWaalsContact O-N 3.09Å; L20-F28 HydrophobicContact CB-CE2 4.17Å; L20-F28 HydrophobicContact CD1-CE2 4.18Å; L20-F28 HydrophobicContact CD1-CZ 3.94Å
21Q71.3Confident59.7Low96 Ų96102.7 Ų102.745%0.44954%0.544SS..Hα-helixtrans-67-41.4173.9-171.1169.457.800111.7F17 Q18 L23 G24F17-Q21 WeakPolarHBondContact O-CB 3.47Å; F17-Q21 PolarHBondContact O-N 3.12Å; Q18-Q21 PolarHBondContact O-N 2.58Å; Q21-L23 PolarHBondContact O-N 3.44Å; Q21-G24 PolarHBondContact O-N 3.39Å
22D71.4Confident58.7Low130 Ų130101 Ų10170%0.69555%0.548SS*.Hα-helixtrans-63.8-24.8173.7-73.4-18.4000112.9Q18Q18-D22 WeakPolarHBondContact O-CB 3.36Å; Q18-D22 VanDerWaalsContact O-CG 3.28Å; Q18-D22 PolarHBondContact O-N 3.46Å
23L66.8Low57.5Low102 Ų102102.5 Ų102.553%0.53457%0.565SS.*THydrogen-bonded Turntrans-87.6-2173.1-71.9173.6000113.9Y19 L20 Q21Y19-L23 HydrophobicContact CD1-CD1 3.93Å; Y19-L23 HydrophobicContact CE1-CD1 3.44Å; Y19-L23 VanDerWaalsContact CE1-CD1 3.44Å; Y19-L23 HydrophobicContact CE1-CG 4.48Å; Y19-L23 WeakPolarHBondContact O-CG 3.45Å; Y19-L23 PolarHBondContact O-N 2.98Å; L20-L23 PolarHBondContact O-N 3.21Å; Q21-L23 PolarHBondContact O-N 3.44Å
24G53Low56.2Low57 Ų5799.9 Ų99.959%0.58856%0.563SS**THydrogen-bonded Turntrans85.415.9175.100000115.8L20 Q21L20-G24 PolarHBondContact O-N 3.47Å; Q21-G24 PolarHBondContact O-N 3.39Å
25H55.2Low54.1Low99 Ų99104.1 Ų104.146%0.45859%0.593SS.*  trans-89.4124.3170.5-69.7-79.4000110.2L20 F28L20-H25 PolarHBondContact O-N 3.24Å; L20-H25 VanDerWaalsContact O-N 3.09Å; H25-F28 HydrophobicContact CB-CE2 3.84Å; H25-F28 HydrophobicContact CB-CZ 4.18Å
26T55.3Low52.5Low120 Ų120107.3 Ų107.374%0.73660%0.598SS**  trans-135.119.3-171.467.40000113.2
27D51.2Low50.9Low130 Ų130111.2 Ų111.270%0.69561%0.613SS**  trans-115.427.3-164.951.3-39.8000114
28F58Low48.9Very low90 Ų90118.2 Ų118.240%0.39565%0.647SS.*  trans-93.8136.6175.5-53.7-78.4000111.8L20 H25 S30L20-F28 HydrophobicContact CB-CE2 4.17Å; L20-F28 HydrophobicContact CD1-CE2 4.18Å; L20-F28 HydrophobicContact CD1-CZ 3.94Å; H25-F28 HydrophobicContact CB-CE2 3.84Å; H25-F28 HydrophobicContact CB-CZ 4.18Å; F28-S30 PolarHBondContact O-N 2.97Å
29E46.5Very low46.9Very low185 Ų185122.4 Ų122.486%0.86467%0.666SS**  trans-73.1112.3172.6-77.8-16514300111
30S41.7Very low44.8Very low70 Ų70125 Ų12549%0.4968%0.683SS.*PPolyproline II helixtrans-85.7118.4173.458.50000112E12 F28E12-S30 WeakPolarHBondContact OE1-CB 3.36Å; E12-S30 PolarHBondContact OE1-OG 3.17Å; E12-S30 VanDerWaalsContact OE1-OG 3.13Å; F28-S30 PolarHBondContact O-N 2.97Å
31C34Very low42.8Very low94 Ų94134.1 Ų134.164%0.63572%0.717SS**PPolyproline II helixtrans-72.8124.6172.1-880000110.7T33C31-T33 PolarHBondContact O-N 3.5Å
32P35.1Very low40.6Very low122 Ų122132.9 Ų132.979%0.79273%0.73SS**PPolyproline II helixtrans-66.8126.5175.927.6-33.6000110.1A34P32-A34 PolarHBondContact O-N 3.09Å
33T31.1Very low38.4Very low131 Ų131130.7 Ų130.780%0.80474%0.738SS**PPolyproline II helixtrans-62.3119.1179.8-41.40000110.4C31 S35C31-T33 PolarHBondContact O-N 3.5Å; T33-S35 PolarHBondContact O-N 3.25Å
34A31.5Very low36.7Very low89 Ų89130.5 Ų130.574%0.73675%0.751SS**PPolyproline II helixtrans-64.1120.1171.300000109.2P32 Q36P32-A34 PolarHBondContact O-N 3.09Å; A34-Q36 PolarHBondContact O-N 3.48Å
35S28.5Very low35.5Very low118 Ų118137.3 Ų137.383%0.82577%0.768SS**  trans-68.791.9175.556.40000109.8T33T33-S35 PolarHBondContact O-N 3.25Å
36Q27.7Very low34.2Very low183 Ų183136.3 Ų136.386%0.85578%0.784SS**PPolyproline II helixtrans-74.8123.4168.9-167.3167.44.600108.2A34 E38A34-Q36 PolarHBondContact O-N 3.48Å; Q36-E38 PolarHBondContact O-N 2.9Å
37E29.2Very low32.7Very low185 Ų185138.3 Ų138.386%0.86479%0.79SS**PPolyproline II helixtrans-64128.6179.1-62.3174.3149.200109.6
38E30.4Very low31.7Very low197 Ų197140.3 Ų140.392%0.92180%0.8SS**PPolyproline II helixtrans-71.4128.1176.3-73.7-174.8134.200110.8Q36 E40Q36-E38 PolarHBondContact O-N 2.9Å; E38-E40 PolarHBondContact O-N 3.42Å
39E29.3Very low30.2Very low188 Ų188139.4 Ų139.488%0.87982%0.816SS**  trans-73.5114.2171.4-65-179.5124.900110.5
40E26.8Very low29.2Very low200 Ų200136 Ų13694%0.93581%0.812SS**  trans-90.5108.6163.3-168.8172.6-16500110.2E38E38-E40 PolarHBondContact O-N 3.42Å
41Y24.4Very low28.4Very low230 Ų230143.8 Ų143.890%0.90283%0.831SS**  trans-99.8109.3-179.4-161.2-83.5000110.7
42G25.8Very low28Very low71 Ų71143 Ų14373%0.73284%0.839SS**  trans-17292.3-178.800000117.9
43G24.6Very low27.8Very low83 Ų83145.7 Ų145.786%0.85684%0.841SS**  trans88.7103.5145.300000118.2
44A31.3Very low27.7Very low98 Ų98147.6 Ų147.681%0.8184%0.841SS**  trans-100.2130.3156.300000109.7
45E29.1Very low28.1Very low201 Ų201152 Ų15294%0.93985%0.846SS**  trans169.1142.9139.9-97.6-178.3172.600112.2
46G25.9Very low28.3Very low77 Ų77154.8 Ų154.879%0.79485%0.846SS**  trans81.9142.4171.400000115.9
47D24.4Very low29Very low162 Ų162154.7 Ų154.787%0.86684%0.843SS**  cis-152158.92.9-165.813.9000112.2
48L31.3Very low29.5Very low172 Ų172151.4 Ų151.490%0.90184%0.835SS**  trans-87.6115-179.4-95.9151.8000111.4
49G25.7Very low30.3Very low72 Ų72147.3 Ų147.374%0.74283%0.829SS**  trans-149.487.2-177.300000116.4
50S24.8Very low31.3Very low112 Ų112140 Ų14078%0.78380%0.803SS**  trans16.6136.6133.4162.10000118.7
51R25.4Very low32.7Very low234 Ų234132.1 Ų132.188%0.88378%0.776SS**  cis177.8126.86.7158.6-179.1164.6-173.9-3.8108.6
52G26.4Very low34.3Very low77 Ų77125.3 Ų125.379%0.79476%0.761SS**  trans42.5122152.800000121.7
53Q29.4Very low36.2Very low180 Ų180127.6 Ų127.684%0.84176%0.756SS**  trans-138.7111.9133.4-139.6170.76.800113.1
54E30.3Very low38.3Very low170 Ų170131.8 Ų131.879%0.79475%0.746SS**  trans35.9104.5148.3-61.8-176.3134.800121.2Q56E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 2.99Å
55Q39.4Very low40.1Very low182 Ų182136 Ų13685%0.8574%0.741SS**  trans-50.676.8155.5-171.517957.200113.8K57Q55-K57 PolarHBondContact O-N 2.89Å; Q55-K57 VanDerWaalsContact O-N 3.15Å
56Q33.3Very low41.8Very low176 Ų176131.2 Ų131.282%0.82272%0.721SS**  trans-80.595.3173.6-151.5175.43000111.2E54 T58E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 2.99Å; Q56-T58 PolarHBondContact O-N 3.41Å
57K41.8Very low44Very low182 Ų182131.7 Ų131.779%0.79171%0.709SS**  trans-63.695174.4-80.6173.8169.2168.30111.5Q55 S59Q55-K57 PolarHBondContact O-N 2.89Å; Q55-K57 VanDerWaalsContact O-N 3.15Å; K57-S59 PolarHBondContact O-N 2.88Å
58T40.3Very low46.2Very low115 Ų115128.2 Ų128.271%0.70669%0.687SS**  trans-80.1102.2163530000109.8Q56 G60 G61Q56-T58 PolarHBondContact O-N 3.41Å; T58-G60 PolarHBondContact O-N 2.81Å; T58-G61 PolarHBondContact O-N 3.27Å
59S46.8Very low47.9Very low112 Ų112121.4 Ų121.478%0.78366%0.655SS**THydrogen-bonded Turntrans-63.1-6.3176.949.60000114.4K57 G61K57-S59 PolarHBondContact O-N 2.88Å; S59-G61 VanDerWaalsContact C-N 3.3Å; S59-G61 PolarHBondContact O-N 3.47Å
60G48.9Very low49.6Very low33 Ų33123.5 Ų123.534%0.3465%0.649SS.*Hα-helixtrans-67-21.1176.100000115.1T58 C62 L63 W64T58-G60 PolarHBondContact O-N 2.81Å; G60-C62 VanDerWaalsContact C-N 3.31Å; G60-C62 PolarHBondContact O-N 3.16Å; G60-L63 PolarHBondContact O-N 3.41Å; G60-W64 PolarHBondContact O-N 3.05Å
61G57Low51.7Low35 Ų35125.8 Ų125.836%0.36164%0.641SS.*Hα-helixtrans-64.4-27.3-174.700000115.3T58 S59 R65T58-G61 PolarHBondContact O-N 3.27Å; S59-G61 VanDerWaalsContact C-N 3.3Å; S59-G61 PolarHBondContact O-N 3.47Å; G61-R65 VanDerWaalsContact O-CG 3.29Å; G61-R65 WeakPolarHBondContact O-CG 3.32Å; G61-R65 PolarHBondContact O-N 3.33Å
62C58.1Low53.6Low88 Ų88122.3 Ų122.360%0.59563%0.628SS**Hα-helixtrans-80.7-39.9177-157.90000111.7G60 R65 L66G60-C62 VanDerWaalsContact C-N 3.31Å; G60-C62 PolarHBondContact O-N 3.16Å; C62-R65 PolarHBondContact O-N 2.79Å; C62-L66 WeakPolarHBondContact O-CG 3.38Å; C62-L66 PolarHBondContact O-N 3.37Å
63L66.6Low55.3Low119 Ų119125 Ų12562%0.62361%0.614SS**Hα-helixtrans-64.1-40.6173.5-70.5170000111.3G60 R65 L66 V67G60-L63 PolarHBondContact O-N 3.41Å; L63-R65 PolarHBondContact O-N 3.48Å; L63-L66 PolarHBondContact O-N 3.35Å; L63-V67 WeakPolarHBondContact O-CB 3.39Å; L63-V67 WeakPolarHBondContact O-CG2 3.48Å; L63-V67 PolarHBondContact O-N 3.18Å
64W67.8Low57.2Low171 Ų171117.5 Ų117.565%0.64858%0.581SS**Hα-helixtrans-60.5-43.9173.8-106.794.4000112.7G60 L66 V67 E68G60-W64 PolarHBondContact O-N 3.05Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 3.22Å; W64-V67 PolarHBondContact O-N 2.88Å; W64-E68 HydrophobicContact CE3-CG 4.16Å; W64-E68 HydrophobicContact CZ3-CG 4.49Å; W64-E68 WeakPolarHBondContact O-CB 3.41Å; W64-E68 WeakPolarHBondContact O-CG 3.35Å; W64-E68 PolarHBondContact O-N 3.27Å
65R69.4Low58.9Low187 Ų187114.2 Ų114.271%0.70658%0.575SS**Hα-helixtrans-64.2-34174.8-69.8172.4-161.7-169.34.1113.1G61 C62 L63 A69G61-R65 VanDerWaalsContact O-CG 3.29Å; G61-R65 WeakPolarHBondContact O-CG 3.32Å; G61-R65 PolarHBondContact O-N 3.33Å; C62-R65 PolarHBondContact O-N 2.79Å; L63-R65 PolarHBondContact O-N 3.48Å; R65-A69 WeakPolarHBondContact O-CB 3.41Å; R65-A69 PolarHBondContact O-N 2.85Å
66L64.1Low60.1Low100 Ų100112.1 Ų112.152%0.52457%0.568SS.*Hα-helixtrans-72-37.2174.1-73.5169.6000112.1C62 L63 W64 A69 L70C62-L66 WeakPolarHBondContact O-CG 3.38Å; C62-L66 PolarHBondContact O-N 3.37Å; L63-L66 PolarHBondContact O-N 3.35Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 3.22Å; L66-A69 PolarHBondContact O-N 3.05Å; L66-L70 PolarHBondContact O-N 3.34Å
67V72.2Confident61.8Low87 Ų87106 Ų10653%0.52754%0.54SS..Hα-helixtrans-66.7-42.7172.6169.60000110.7L63 W64 A69 L70 W71L63-V67 WeakPolarHBondContact O-CB 3.39Å; L63-V67 WeakPolarHBondContact O-CG2 3.48Å; L63-V67 PolarHBondContact O-N 3.18Å; W64-V67 PolarHBondContact O-N 2.88Å; V67-A69 VanDerWaalsContact C-N 3.33Å; V67-A69 PolarHBondContact O-N 2.86Å; V67-L70 PolarHBondContact O-N 3.22Å; V67-W71 VanDerWaalsContact O-CB 3.22Å; V67-W71 WeakPolarHBondContact O-CB 3.38Å; V67-W71 PolarHBondContact O-N 2.86Å
68E71.2Confident63.1Low88 Ų8899.8 Ų99.841%0.41151%0.514SS..Hα-helixtrans-61.8-38.9171.6-77.4176.2-164.700112.3W64 W71 R72W64-E68 HydrophobicContact CE3-CG 4.16Å; W64-E68 HydrophobicContact CZ3-CG 4.49Å; W64-E68 WeakPolarHBondContact O-CB 3.41Å; W64-E68 WeakPolarHBondContact O-CG 3.35Å; W64-E68 PolarHBondContact O-N 3.27Å; E68-W71 PolarHBondContact O-N 3.13Å; E68-R72 WeakPolarHBondContact O-CB 3.36Å; E68-R72 VanDerWaalsContact O-CG 3.28Å; E68-R72 WeakPolarHBondContact O-CG 3.35Å; E68-R72 PolarHBondContact O-N 2.96Å
69A66.1Low64.5Low29 Ų2996.3 Ų96.324%0.2450%0.496CS..Hα-helixtrans-62.3-53.3172.900000110.7R65 L66 V67 W71 R72 W73R65-A69 WeakPolarHBondContact O-CB 3.41Å; R65-A69 PolarHBondContact O-N 2.85Å; L66-A69 PolarHBondContact O-N 3.05Å; V67-A69 VanDerWaalsContact C-N 3.33Å; V67-A69 PolarHBondContact O-N 2.86Å; A69-W71 PolarHBondContact O-N 3.39Å; A69-R72 WeakPolarHBondContact O-CB 3.49Å; A69-R72 PolarHBondContact O-N 2.83Å; A69-R72 VanDerWaalsContact O-N 3.15Å; A69-W73 PolarHBondContact O-N 3.06Å; A69-W73 PolarHBondContact O-NE1 2.86Å
70L63.4Low65.9Low116 Ų11693.6 Ų93.661%0.60748%0.481SS*.Hα-helixtrans-56.6-37.5174.6-104.885.8000112.6L66 V67 W73 S74L66-L70 PolarHBondContact O-N 3.34Å; V67-L70 PolarHBondContact O-N 3.22Å; L70-W73 CarbonylContact O-C 3.43Å; L70-W73 WeakPolarHBondContact O-CA 3.29Å; L70-W73 WeakPolarHBondContact O-CB 3.34Å; L70-W73 PolarHBondContact O-N 3.48Å; L70-W73 VanDerWaalsContact O-N 3.13Å; L70-S74 PolarHBondContact O-N 2.95Å
71W68.6Low67.2Low161 Ų16195.7 Ų95.761%0.6148%0.482SS*.Hα-helixtrans-70.5-39.1179.3-166.581.5000111.6V67 E68 A69 W73 S74 H77V67-W71 VanDerWaalsContact O-CB 3.22Å; V67-W71 WeakPolarHBondContact O-CB 3.38Å; V67-W71 PolarHBondContact O-N 2.86Å; E68-W71 PolarHBondContact O-N 3.13Å; A69-W71 PolarHBondContact O-N 3.39Å; W71-W73 PolarHBondContact O-N 3.27Å; W71-S74 WeakPolarHBondContact O-CB 3.4Å; W71-S74 PolarHBondContact O-N 2.79Å; W71-S74 PolarHBondContact O-OG 2.89Å; W71-H77 AromaticContact CE3-ND1 3.69Å; W71-H77 AromaticContact CH2-ND1 3.83Å; W71-H77 AromaticContact CZ3-CE1 3.81Å; W71-H77 AromaticContact CZ3-ND1 3.21Å; W71-H77 WeakPolarHBondContact CZ3-ND1 3.31Å; W71-H77 WeakPolarHBondContact O-CB 3.4Å
72R65.6Low68Low161 Ų16195.6 Ų95.661%0.60848%0.476SS*.Hα-helixtrans-63.4-24.8168.1-73.4173.9-178.8-173.12.7113E68 A69E68-R72 WeakPolarHBondContact O-CB 3.36Å; E68-R72 VanDerWaalsContact O-CG 3.28Å; E68-R72 WeakPolarHBondContact O-CG 3.35Å; E68-R72 PolarHBondContact O-N 2.96Å; A69-R72 WeakPolarHBondContact O-CB 3.49Å; A69-R72 PolarHBondContact O-N 2.83Å; A69-R72 VanDerWaalsContact O-N 3.15Å
73W61.3Low68.9Low133 Ų13398.3 Ų98.350%0.50447%0.473SS..THydrogen-bonded Turntrans-87.2-7.9175.3-56.53.8000112.3A69 L70 W71 W188A69-W73 PolarHBondContact O-N 3.06Å; A69-W73 PolarHBondContact O-NE1 2.86Å; L70-W73 CarbonylContact O-C 3.43Å; L70-W73 WeakPolarHBondContact O-CA 3.29Å; L70-W73 WeakPolarHBondContact O-CB 3.34Å; L70-W73 PolarHBondContact O-N 3.48Å; L70-W73 VanDerWaalsContact O-N 3.13Å; W71-W73 PolarHBondContact O-N 3.27Å; W73-W188 HydrophobicContact CB-CZ3 4.09Å; W73-W188 AromaticContact CD1-CH2 3.32Å; W73-W188 AromaticContact CD1-CZ3 3.4Å; W73-W188 AromaticContact CD2-CE3 3.95Å; W73-W188 HydrophobicContact CD2-CE3 3.95Å; W73-W188 AromaticContact CD2-CH2 3.9Å; W73-W188 HydrophobicContact CD2-CH2 3.9Å; W73-W188 AromaticContact CD2-CZ3 3.33Å; W73-W188 HydrophobicContact CD2-CZ3 3.33Å; W73-W188 AromaticContact CE2-CH2 3.51Å; W73-W188 AromaticContact CE2-CZ3 3.42Å; W73-W188 VanDerWaalsContact CE2-CZ3 3.42Å; W73-W188 HydrophobicContact CE3-CE3 4.14Å; W73-W188 AromaticContact CE3-CZ3 3.98Å; W73-W188 HydrophobicContact CE3-CZ3 3.98Å; W73-W188 HydrophobicContact CG-CE3 4.35Å; W73-W188 AromaticContact CG-CH2 3.81Å; W73-W188 HydrophobicContact CG-CH2 3.81Å; W73-W188 AromaticContact CG-CZ3 3.35Å; W73-W188 HydrophobicContact CG-CZ3 3.35Å; W73-W188 HydrophobicContact CZ2-CE3 4.34Å; W73-W188 HydrophobicContact CZ2-CH2 4.16Å; W73-W188 HydrophobicContact CZ2-CZ2 4.46Å; W73-W188 HydrophobicContact CZ2-CZ3 4.1Å; W73-W188 HydrophobicContact CZ3-CE3 4.41Å; W73-W188 AromaticContact NE1-CH2 3.17Å; W73-W188 AromaticContact NE1-CZ3 3.49Å
74S69.7Low69.6Low23 Ų2398.2 Ų98.216%0.16147%0.468CS..SBendtrans-66.8143.7177.876.80000111L70 W71 L76 H77 Q78L70-S74 PolarHBondContact O-N 2.95Å; W71-S74 WeakPolarHBondContact O-CB 3.4Å; W71-S74 PolarHBondContact O-N 2.79Å; W71-S74 PolarHBondContact O-OG 2.89Å; S74-L76 PolarHBondContact O-N 2.73Å; S74-L76 VanDerWaalsContact O-N 3.15Å; S74-H77 PolarHBondContact O-N 2.79Å; S74-H77 PolarHBondContact OG-N 2.67Å; S74-Q78 PolarHBondContact O-N 3.5Å; S74-Q78 VanDerWaalsContact O-N 3.12Å
75P64.5Low70.1Confident100 Ų10091 Ų9165%0.64944%0.442SS*.Hα-helixtrans-62.1-23.5176.925.7-34.6000112.2A79P75-A79 VanDerWaalsContact O-CB 3.28Å; P75-A79 WeakPolarHBondContact O-CB 3.44Å; P75-A79 PolarHBondContact O-N 3.13Å
76L65.6Low70.7Confident138 Ų13883.4 Ų83.472%0.72342%0.415SS*.Hα-helixtrans-69.5-46.2176.5-62.7174.8000111.9S74 A79 A80S74-L76 PolarHBondContact O-N 2.73Å; S74-L76 VanDerWaalsContact O-N 3.15Å; L76-A79 PolarHBondContact O-N 3.09Å; L76-A80 PolarHBondContact O-N 3.05Å
77H69.4Low71.5Confident49 Ų4983.2 Ų83.223%0.22741%0.411CS..Hα-helixtrans-66.1-40.8175.6-171.579.1000111.3W71 S74 A79 A80 E81W71-H77 AromaticContact CE3-ND1 3.69Å; W71-H77 AromaticContact CH2-ND1 3.83Å; W71-H77 AromaticContact CZ3-CE1 3.81Å; W71-H77 AromaticContact CZ3-ND1 3.21Å; W71-H77 WeakPolarHBondContact CZ3-ND1 3.31Å; W71-H77 WeakPolarHBondContact O-CB 3.4Å; S74-H77 PolarHBondContact O-N 2.79Å; S74-H77 PolarHBondContact OG-N 2.67Å; H77-A79 VanDerWaalsContact C-N 3.29Å; H77-A79 PolarHBondContact O-N 3.4Å; H77-A80 PolarHBondContact O-N 3.47Å; H77-E81 WeakPolarHBondContact O-CB 3.27Å; H77-E81 PolarHBondContact O-N 3.39Å
78Q68.6Low71.9Confident51 Ų5184.1 Ų84.124%0.23841%0.409CS..Hα-helixtrans-62-35.5174.9-163.8178.82400112.5S74 S82S74-Q78 PolarHBondContact O-N 3.5Å; S74-Q78 VanDerWaalsContact O-N 3.12Å; Q78-S82 PolarHBondContact O-N 3.45Å; Q78-S82 PolarHBondContact O-OG 2.83Å
79A69.3Low72.4Confident41 Ų4180.5 Ų80.534%0.33939%0.393SS..Hα-helixtrans-68.6-45.2173.400000112.2P75 L76 H77 E81 S82 R83P75-A79 VanDerWaalsContact O-CB 3.28Å; P75-A79 WeakPolarHBondContact O-CB 3.44Å; P75-A79 PolarHBondContact O-N 3.13Å; L76-A79 PolarHBondContact O-N 3.09Å; H77-A79 VanDerWaalsContact C-N 3.29Å; H77-A79 PolarHBondContact O-N 3.4Å; A79-E81 PolarHBondContact O-N 2.92Å; A79-S82 WeakPolarHBondContact CA-OG 3.39Å; A79-S82 PolarHBondContact O-N 2.9Å; A79-S82 VanDerWaalsContact O-N 3.14Å; A79-S82 PolarHBondContact O-OG 3.26Å; A79-R83 PolarHBondContact O-N 3.3Å
80A75.8Confident73.3Confident56 Ų5679.7 Ų79.746%0.46338%0.384SS..Hα-helixtrans-59.6-46.1176.100000112.1L76 H77 S82 R83 K84L76-A80 PolarHBondContact O-N 3.05Å; H77-A80 PolarHBondContact O-N 3.47Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-S82 PolarHBondContact O-N 3.36Å; A80-R83 PolarHBondContact O-N 2.92Å; A80-K84 PolarHBondContact O-N 2.92Å
81E76.7Confident74Confident76 Ų7674.9 Ų74.936%0.35536%0.363SS..Hα-helixtrans-57.9-39.6172.2-89.5-77.9124.900112.9H77 A79 L85 R199H77-E81 WeakPolarHBondContact O-CB 3.27Å; H77-E81 PolarHBondContact O-N 3.39Å; A79-E81 PolarHBondContact O-N 2.92Å; E81-L85 PolarHBondContact O-N 2.9Å; E81-L85 VanDerWaalsContact O-N 3.13Å; E81-R199 IonicContact OE2-CZ 3.23Å; E81-R199 IonicContact OE2-NH2 3.69Å; E81-R199 PolarHBondContact OE2-NH2 3.02Å
82S73.6Confident74.7Confident34 Ų3469.1 Ų69.124%0.23835%0.345CS..Hα-helixtrans-69-36.9176.566.30000113.1Q78 A79 A80 L85 E86Q78-S82 PolarHBondContact O-N 3.45Å; Q78-S82 PolarHBondContact O-OG 2.83Å; A79-S82 WeakPolarHBondContact CA-OG 3.39Å; A79-S82 PolarHBondContact O-N 2.9Å; A79-S82 VanDerWaalsContact O-N 3.14Å; A79-S82 PolarHBondContact O-OG 3.26Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-S82 PolarHBondContact O-N 3.36Å; S82-L85 PolarHBondContact O-N 2.69Å; S82-E86 WeakPolarHBondContact O-CB 3.32Å; S82-E86 PolarHBondContact O-N 3.35Å
83R78Confident75.7Confident144 Ų14461.7 Ų61.754%0.54332%0.318SS..Hα-helixtrans-64.9-44.8174.8-72.2178.5178.2-175.6-0.4111.6A79 A80 L85 E86 Q87A79-R83 PolarHBondContact O-N 3.3Å; A80-R83 PolarHBondContact O-N 2.92Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 2.84Å; R83-E86 WeakPolarHBondContact O-CB 3.45Å; R83-E86 PolarHBondContact O-N 2.87Å; R83-E86 VanDerWaalsContact O-N 3.08Å; R83-Q87 WeakPolarHBondContact O-CG 3.32Å; R83-Q87 PolarHBondContact O-N 3.06Å
84K79.9Confident76.8Confident117 Ų11755.5 Ų55.551%0.50930%0.295SS..Hα-helixtrans-59.2-41.6175.8-174.5176.3-179177.60112.1A80 Q88A80-K84 PolarHBondContact O-N 2.92Å; K84-Q88 WeakPolarHBondContact O-CG 3.32Å; K84-Q88 PolarHBondContact O-N 2.96Å
85L80.1Confident77.5Confident19 Ų1957.7 Ų57.710%0.09930%0.303CS..Hα-helixtrans-65.7-40.2174-176.469.5000111.9E81 S82 R83 Q88 L89 R199E81-L85 PolarHBondContact O-N 2.9Å; E81-L85 VanDerWaalsContact O-N 3.13Å; S82-L85 PolarHBondContact O-N 2.69Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 2.84Å; L85-Q88 PolarHBondContact O-N 3.27Å; L85-L89 HydrophobicContact CG-CD1 4.1Å; L85-L89 HydrophobicContact CG-CG 4.48Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 VanDerWaalsContact O-CG 3.26Å; L85-L89 WeakPolarHBondContact O-CG 3.22Å; L85-L89 PolarHBondContact O-N 3.16Å; L85-R199 HydrophobicContact CD2-CB 3.83Å; L85-R199 HydrophobicContact CD2-CG 3.54Å
86E80.7Confident78.5Confident29 Ų2955.1 Ų55.114%0.13628%0.28CS..Hα-helixtrans-63.8-42.4178.8-163.2161.4-135.600111.5S82 R83 L89 D90 P394 R397S82-E86 WeakPolarHBondContact O-CB 3.32Å; S82-E86 PolarHBondContact O-N 3.35Å; R83-E86 WeakPolarHBondContact O-CB 3.45Å; R83-E86 PolarHBondContact O-N 2.87Å; R83-E86 VanDerWaalsContact O-N 3.08Å; E86-L89 PolarHBondContact O-N 2.72Å; E86-D90 PolarHBondContact O-N 3.27Å; E86-P394 HydrophobicContact CG-CB 3.89Å; E86-P394 HydrophobicContact CG-CG 4.16Å; E86-R397 IonicContact OE1-CZ 2.93Å; E86-R397 IonicContact OE1-NH1 3.63Å; E86-R397 PolarHBondContact OE1-NH1 3.05Å; E86-R397 IonicContact OE1-NH2 3.9Å; E86-R397 PolarHBondContact OE1-NH2 3.03Å
87Q80.2Confident79.6Confident95 Ų9548.6 Ų48.644%0.44425%0.246SC..Hα-helixtrans-63-43.2171.8-69.2170.5-47.300112.8R83 L89 D90 G91 E374R83-Q87 WeakPolarHBondContact O-CG 3.32Å; R83-Q87 PolarHBondContact O-N 3.06Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 3.28Å; Q87-D90 PolarHBondContact O-N 2.83Å; Q87-G91 PolarHBondContact O-N 2.98Å; Q87-E374 PolarHBondContact NE2-OE1 3.26Å
88Q81.1Confident80.6Confident106 Ų10646.2 Ų46.250%0.49524%0.236SC..Hα-helixtrans-62.1-39.5174.8-76.6-179.5-29.800111.8K84 L85 G91 V92K84-Q88 WeakPolarHBondContact O-CG 3.32Å; K84-Q88 PolarHBondContact O-N 2.96Å; L85-Q88 PolarHBondContact O-N 3.27Å; Q88-G91 PolarHBondContact O-N 3.27Å; Q88-V92 WeakPolarHBondContact O-CG2 3.36Å; Q88-V92 PolarHBondContact O-N 3.07Å; Q88-V92 VanDerWaalsContact O-N 3.09Å
89L82.6Confident81.4Confident12 Ų1247.9 Ų47.96%0.06324%0.24CC..Hα-helixtrans-69-38.7175.9-71.1170.1000112.1L85 E86 Q87 V92 F93 M202 Q203 V206L85-L89 HydrophobicContact CG-CD1 4.1Å; L85-L89 HydrophobicContact CG-CG 4.48Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 VanDerWaalsContact O-CG 3.26Å; L85-L89 WeakPolarHBondContact O-CG 3.22Å; L85-L89 PolarHBondContact O-N 3.16Å; E86-L89 PolarHBondContact O-N 2.72Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 3.28Å; L89-V92 PolarHBondContact O-N 3Å; L89-F93 WeakPolarHBondContact O-CB 3.4Å; L89-F93 PolarHBondContact O-N 2.84Å; L89-M202 HydrophobicContact CD1-CB 4.31Å; L89-Q203 HydrophobicContact CD1-CG 3.91Å; L89-Q203 HydrophobicContact CD2-CG 4.07Å; L89-V206 HydrophobicContact CB-CG2 4.2Å
90D83.9Confident82.3Confident12 Ų1246.4 Ų46.46%0.06423%0.226CC..Hα-helixtrans-62.6-42.5172.9-86.6-20.8000111.9E86 Q87 F93 G94 P394 L395 H396E86-D90 PolarHBondContact O-N 3.27Å; Q87-D90 PolarHBondContact O-N 2.83Å; D90-F93 WeakPolarHBondContact O-CB 3.35Å; D90-F93 PolarHBondContact O-N 2.99Å; D90-G94 PolarHBondContact O-N 3.08Å; D90-P394 VanDerWaalsContact OD2-CA 3.32Å; D90-P394 WeakPolarHBondContact OD2-CA 3.4Å; D90-P394 WeakPolarHBondContact OD2-CB 3.01Å; D90-L395 HydrophobicContact CB-CB 4.46Å; D90-L395 PolarHBondContact OD1-N 3.41Å; D90-L395 PolarHBondContact OD2-N 2.85Å; D90-H396 IonicContact OD1-CE1 2.79Å; D90-H396 IonicContact OD1-CG 2.69Å; D90-H396 PolarHBondContact OD1-N 3.18Å; D90-H396 IonicContact OD1-ND1 3.46Å; D90-H396 PolarHBondContact OD1-ND1 3.41Å
91G79.3Confident83Confident15 Ų1543.7 Ų43.716%0.15520%0.204CC..Hα-helixtrans-62.7-42.8175.900000113.1Q87 Q88 Q95Q87-G91 PolarHBondContact O-N 2.98Å; Q88-G91 PolarHBondContact O-N 3.27Å; G91-Q95 VanDerWaalsContact O-CG 3.31Å; G91-Q95 WeakPolarHBondContact O-CG 3.28Å; G91-Q95 PolarHBondContact O-N 3.07Å; G91-Q95 VanDerWaalsContact O-N 3.1Å
92V82.4Confident83.6Confident40 Ų4041.6 Ų41.624%0.24220%0.195CC..Hα-helixtrans-69.1-38.4175.21740000111.4Q88 L89 Y96 P140Q88-V92 WeakPolarHBondContact O-CG2 3.36Å; Q88-V92 PolarHBondContact O-N 3.07Å; Q88-V92 VanDerWaalsContact O-N 3.09Å; L89-V92 PolarHBondContact O-N 3Å; V92-Y96 WeakPolarHBondContact O-CB 3.17Å; V92-Y96 PolarHBondContact O-N 2.91Å; V92-P140 HydrophobicContact CG1-CB 3.78Å
93F86.2Confident84.1Confident6 Ų644.9 Ų44.93%0.02621%0.21CC..Hα-helixtrans-59.6-50.5174.5172.9-102.3000110.8L89 D90 Y96 S97 V206 R209 T210 L365 H396L89-F93 WeakPolarHBondContact O-CB 3.4Å; L89-F93 PolarHBondContact O-N 2.84Å; D90-F93 WeakPolarHBondContact O-CB 3.35Å; D90-F93 PolarHBondContact O-N 2.99Å; F93-Y96 PolarHBondContact O-N 3.17Å; F93-S97 WeakPolarHBondContact O-CB 3.35Å; F93-S97 PolarHBondContact O-N 3.3Å; F93-S97 PolarHBondContact O-OG 3.32Å; F93-V206 HydrophobicContact CB-CG1 4.01Å; F93-V206 HydrophobicContact CD2-CG1 4.11Å; F93-V206 HydrophobicContact CG-CG1 4.43Å; F93-R209 HydrophobicContact CE2-CB 4.03Å; F93-T210 WeakPolarHBondContact CD2-OG1 3.43Å; F93-L365 HydrophobicContact CD1-CD2 4.07Å; F93-L365 HydrophobicContact CE1-CD2 3.63Å; F93-H396 HydrophobicContact CD1-CB 4.09Å; F93-H396 HydrophobicContact CD2-CB 4.47Å; F93-H396 HydrophobicContact CE1-CB 4.2Å; F93-H396 HydrophobicContact CG-CB 4.24Å; F93-H396 HydrophobicContact CZ-CB 4.47Å
94G85.9Confident84.2Confident3 Ų339.4 Ų39.43%0.03119%0.191CC..Hα-helixtrans-58.4-52.6177.800000112.5D90 Y96 S97 V98 L365D90-G94 PolarHBondContact O-N 3.08Å; G94-Y96 PolarHBondContact O-N 2.93Å; G94-S97 WeakPolarHBondContact O-CB 3.25Å; G94-S97 PolarHBondContact O-N 3.24Å; G94-S97 VanDerWaalsContact O-N 3.08Å; G94-V98 WeakPolarHBondContact O-CG2 3.13Å; G94-V98 PolarHBondContact O-N 3.45Å; G94-L365 CarbonylContact C-O 3.52Å; G94-L365 VanDerWaalsContact CA-O 3.27Å; G94-L365 WeakPolarHBondContact CA-O 3.11Å
95Q84.3Confident84.3Confident69 Ų6939.9 Ų39.932%0.32220%0.199SC..Hα-helixtrans-56.9-44.4178.6-73.8175.69.300113.7G91 R99 P367G91-Q95 VanDerWaalsContact O-CG 3.31Å; G91-Q95 WeakPolarHBondContact O-CG 3.28Å; G91-Q95 PolarHBondContact O-N 3.07Å; G91-Q95 VanDerWaalsContact O-N 3.1Å; Q95-R99 WeakPolarHBondContact O-CG 3.43Å; Q95-R99 PolarHBondContact O-N 2.94Å; Q95-P367 HydrophobicContact CG-CB 3.97Å; Q95-P367 HydrophobicContact CG-CG 3.99Å
96Y85.1Confident84.7Confident45 Ų4539.7 Ų39.718%0.17620%0.198CC..Hα-helixtrans-67.1-40.2176.7-178.8-81.1000111.3V92 F93 G94 R99 C100 T210 Q214V92-Y96 WeakPolarHBondContact O-CB 3.17Å; V92-Y96 PolarHBondContact O-N 2.91Å; F93-Y96 PolarHBondContact O-N 3.17Å; G94-Y96 PolarHBondContact O-N 2.93Å; Y96-R99 PolarHBondContact O-N 2.92Å; Y96-C100 HydrophobicContact CE1-CB 4.29Å; Y96-C100 VanDerWaalsContact O-CB 3.31Å; Y96-C100 WeakPolarHBondContact O-CB 3.33Å; Y96-C100 PolarHBondContact O-N 3.28Å; Y96-T210 HydrophobicContact CD1-CG2 3.22Å; Y96-T210 HydrophobicContact CE1-CG2 3.22Å; Y96-T210 HydrophobicContact CG-CG2 4.04Å; Y96-Q214 PolarHBondContact OH-OE1 2.99Å
97S88.8Confident85.3Confident1 Ų139.3 Ų39.31%0.00720%0.197CC..Hα-helixtrans-66.7-43.4-177.4-610000112.6F93 G94 C100 I101 L213F93-S97 WeakPolarHBondContact O-CB 3.35Å; F93-S97 PolarHBondContact O-N 3.3Å; F93-S97 PolarHBondContact O-OG 3.32Å; G94-S97 WeakPolarHBondContact O-CB 3.25Å; G94-S97 PolarHBondContact O-N 3.24Å; G94-S97 VanDerWaalsContact O-N 3.08Å; S97-C100 WeakPolarHBondContact O-CB 3.27Å; S97-C100 PolarHBondContact O-N 2.93Å; S97-I101 WeakPolarHBondContact O-CG1 3.46Å; S97-I101 PolarHBondContact O-N 2.84Å; S97-I101 VanDerWaalsContact O-N 3.09Å; S97-L213 VanDerWaalsContact CB-CD2 3.44Å; S97-L213 WeakPolarHBondContact OG-CD2 3.45Å
98V89.6Confident85.8Confident0 Ų037.6 Ų37.60%019%0.191CC..Hα-helixtrans-61.9-48.6175.1173.10000110.5G94 C100 I101 L102 L122 A362 L365G94-V98 WeakPolarHBondContact O-CG2 3.13Å; G94-V98 PolarHBondContact O-N 3.45Å; V98-C100 VanDerWaalsContact C-N 3.31Å; V98-C100 PolarHBondContact O-N 3.06Å; V98-I101 PolarHBondContact O-N 2.81Å; V98-L102 HydrophobicContact CG1-CD1 3.82Å; V98-L102 HydrophobicContact CG1-CG 4.25Å; V98-L102 WeakPolarHBondContact O-CG 3.01Å; V98-L102 PolarHBondContact O-N 2.83Å; V98-L122 HydrophobicContact CG1-CB 4.1Å; V98-L122 HydrophobicContact CG1-CD1 4.48Å; V98-L122 HydrophobicContact CG1-CD2 4.2Å; V98-L122 HydrophobicContact CG1-CG 4.48Å; V98-L122 HydrophobicContact CG2-CD2 4.43Å; V98-A362 HydrophobicContact CG2-CB 4.42Å; V98-A362 WeakPolarHBondContact CG2-O 3.23Å; V98-L365 HydrophobicContact CG2-CB 3.98Å
99R86.6Confident86.3Confident86 Ų8638.7 Ų38.733%0.32520%0.196SC..Hα-helixtrans-53.7-48.5173.3-76.5176.8173.2135.34.7111.8Q95 Y96 I101 L102 D103 L125Q95-R99 WeakPolarHBondContact O-CG 3.43Å; Q95-R99 PolarHBondContact O-N 2.94Å; Y96-R99 PolarHBondContact O-N 2.92Å; R99-I101 PolarHBondContact O-N 2.84Å; R99-I101 VanDerWaalsContact O-N 3.15Å; R99-L102 PolarHBondContact O-N 2.98Å; R99-L102 VanDerWaalsContact O-N 3.16Å; R99-D103 VanDerWaalsContact O-CB 3.26Å; R99-D103 WeakPolarHBondContact O-CB 3.37Å; R99-D103 PolarHBondContact O-N 3.09Å; R99-L125 HydrophobicContact CG-CB 4.47Å; R99-L125 WeakPolarHBondContact CG-O 3.14Å; R99-L125 PolarHBondContact NE-O 3.47Å; R99-L125 PolarHBondContact NH2-O 2.94Å
100C87.8Confident86.7Confident9 Ų944.9 Ų44.96%0.06122%0.224CC..Hα-helixtrans-59.8-27.1178.8-173.50000114Y96 S97 V98 Q104Y96-C100 HydrophobicContact CE1-CB 4.29Å; Y96-C100 VanDerWaalsContact O-CB 3.31Å; Y96-C100 WeakPolarHBondContact O-CB 3.33Å; Y96-C100 PolarHBondContact O-N 3.28Å; S97-C100 WeakPolarHBondContact O-CB 3.27Å; S97-C100 PolarHBondContact O-N 2.93Å; V98-C100 VanDerWaalsContact C-N 3.31Å; V98-C100 PolarHBondContact O-N 3.06Å; C100-Q104 WeakPolarHBondContact O-CB 3.33Å; C100-Q104 VanDerWaalsContact O-CG 3.27Å; C100-Q104 WeakPolarHBondContact O-CG 3.48Å; C100-Q104 PolarHBondContact O-NE2 3.35Å; C100-Q104 PolarHBondContact SG-NE2 2.82Å
101I91Very high87.1Confident0 Ų044.9 Ų44.90%022%0.224CC..Hα-helixtrans-80.2-46.9174.9-69.2165.4000110.6S97 V98 R99 L107 V217 F358 L361 A362S97-I101 WeakPolarHBondContact O-CG1 3.46Å; S97-I101 PolarHBondContact O-N 2.84Å; S97-I101 VanDerWaalsContact O-N 3.09Å; V98-I101 PolarHBondContact O-N 2.81Å; R99-I101 PolarHBondContact O-N 2.84Å; R99-I101 VanDerWaalsContact O-N 3.15Å; I101-L107 HydrophobicContact CG2-CD1 4.16Å; I101-L107 HydrophobicContact CG2-CD2 4.22Å; I101-L107 HydrophobicContact CG2-CG 4.14Å; I101-V217 HydrophobicContact CG1-CG2 3.92Å; I101-F358 HydrophobicContact CD1-CD1 4.43Å; I101-F358 HydrophobicContact CG1-CD1 4.28Å; I101-F358 HydrophobicContact CG2-CB 3.96Å; I101-L361 HydrophobicContact CD1-CB 4.46Å; I101-L361 HydrophobicContact CD1-CD2 4.27Å; I101-L361 HydrophobicContact CD1-CG 4.23Å; I101-A362 HydrophobicContact CD1-CB 4.14Å; I101-A362 HydrophobicContact CG2-CB 4.46Å
102L87.9Confident87.6Confident32 Ų3246 Ų4617%0.16823%0.228CC..Hα-helixtrans-66.2-47.4-179.4-63.9176000112.1V98 R99 Q104 L107 L122 L123V98-L102 HydrophobicContact CG1-CD1 3.82Å; V98-L102 HydrophobicContact CG1-CG 4.25Å; V98-L102 WeakPolarHBondContact O-CG 3.01Å; V98-L102 PolarHBondContact O-N 2.83Å; R99-L102 PolarHBondContact O-N 2.98Å; R99-L102 VanDerWaalsContact O-N 3.16Å; L102-Q104 PolarHBondContact O-N 2.89Å; L102-Q104 VanDerWaalsContact O-N 3.1Å; L102-L107 HydrophobicContact CD2-CD1 3.89Å; L102-L122 VanDerWaalsContact CD1-O 3.3Å; L102-L122 WeakPolarHBondContact CD1-O 3.32Å; L102-L123 HydrophobicContact CD1-CD2 4.27Å; L102-L123 HydrophobicContact CD2-CD2 4.01Å
103D84.8Confident87.9Confident102 Ų10248.9 Ų48.955%0.54524%0.239SC..THydrogen-bonded Turntrans-65.5-13.6-177.3-62.2-13.9000113.7R99R99-D103 VanDerWaalsContact O-CB 3.26Å; R99-D103 WeakPolarHBondContact O-CB 3.37Å; R99-D103 PolarHBondContact O-N 3.09Å
104Q79.9Confident88Confident29 Ų2950.9 Ų50.914%0.13625%0.25CC..THydrogen-bonded Turntrans-103.59.5-172.5-72.2-165.941.700114.9C100 L102 V106 V217 K221C100-Q104 WeakPolarHBondContact O-CB 3.33Å; C100-Q104 VanDerWaalsContact O-CG 3.27Å; C100-Q104 WeakPolarHBondContact O-CG 3.48Å; C100-Q104 PolarHBondContact O-NE2 3.35Å; C100-Q104 PolarHBondContact SG-NE2 2.82Å; L102-Q104 PolarHBondContact O-N 2.89Å; L102-Q104 VanDerWaalsContact O-N 3.1Å; Q104-V106 HydrophobicContact CB-CG2 3.9Å; Q104-V106 WeakPolarHBondContact O-CG2 3.46Å; Q104-V106 PolarHBondContact O-N 3.21Å; Q104-V106 VanDerWaalsContact O-N 3.1Å; Q104-V217 HydrophobicContact CB-CG1 3.74Å; Q104-V217 HydrophobicContact CG-CG1 4.18Å; Q104-K221 VanDerWaalsContact C-NZ 3.29Å; Q104-K221 WeakPolarHBondContact O-CD 3.48Å; Q104-K221 WeakPolarHBondContact O-CE 3.27Å; Q104-K221 PolarHBondContact O-NZ 2.94Å
105D82.1Confident88.2Confident128 Ų12850.7 Ų50.768%0.68425%0.248SC*.THydrogen-bonded Turntrans51.831.2177.5-38.1-59.5000113.8K221D105-K221 IonicContact OD2-NZ 3.75Å; D105-K221 PolarHBondContact OD2-NZ 3.34Å
106V89Confident88.4Confident14 Ų1453 Ų539%0.08526%0.259CS..  trans-88.1-16.7-178.6-173.40000111.7Q104 V217 K221 F358Q104-V106 HydrophobicContact CB-CG2 3.9Å; Q104-V106 WeakPolarHBondContact O-CG2 3.46Å; Q104-V106 PolarHBondContact O-N 3.21Å; Q104-V106 VanDerWaalsContact O-N 3.1Å; V106-V217 HydrophobicContact CB-CG1 4.28Å; V106-V217 HydrophobicContact CG2-CG1 3.54Å; V106-K221 HydrophobicContact CG2-CB 3.97Å; V106-K221 HydrophobicContact CG2-CG 4.49Å; V106-F358 HydrophobicContact CB-CD2 4.49Å; V106-F358 HydrophobicContact CG1-CD2 3.4Å; V106-F358 VanDerWaalsContact CG1-CD2 3.4Å; V106-F358 HydrophobicContact CG1-CE2 3.66Å; V106-F358 HydrophobicContact CG1-CG 4.16Å
107L92.1Very high88.5Confident22 Ų2257.5 Ų57.512%0.11529%0.285CS..SBendtrans-85.9143.9174.5-58.2178.4000111.2I101 L102 V112 I115 S355 F358 R359I101-L107 HydrophobicContact CG2-CD1 4.16Å; I101-L107 HydrophobicContact CG2-CD2 4.22Å; I101-L107 HydrophobicContact CG2-CG 4.14Å; L102-L107 HydrophobicContact CD2-CD1 3.89Å; L107-V112 HydrophobicContact CB-CG2 3.74Å; L107-V112 HydrophobicContact CD1-CG2 4.09Å; L107-I115 HydrophobicContact CD1-CD1 3.54Å; L107-S355 WeakPolarHBondContact CA-OG 3.33Å; L107-S355 WeakPolarHBondContact CD2-O 3.15Å; L107-F358 HydrophobicContact CD2-CB 3.77Å; L107-R359 HydrophobicContact CD2-CB 4.26Å
108L92Very high88.3Confident59 Ų5959.4 Ų59.431%0.30930%0.295SS..  trans-73.3153.1163.8-65.1174.6000109.7E110 D111 V112 S355L108-E110 VanDerWaalsContact C-N 3.26Å; L108-E110 PolarHBondContact O-N 3.15Å; L108-D111 PolarHBondContact O-N 2.99Å; L108-V112 PolarHBondContact O-N 2.85Å; L108-V112 VanDerWaalsContact O-N 3.07Å; L108-S355 PolarHBondContact N-OG 3.5Å
109Q90.9Very high88.1Confident128 Ų12860.6 Ų60.660%0.59830%0.301SS*.Hα-helixtrans-53.3-44.2179.2-179.160.428.400112D111 V112 E113Q109-D111 VanDerWaalsContact C-N 3.31Å; Q109-D111 PolarHBondContact O-N 2.8Å; Q109-V112 WeakPolarHBondContact O-CB 3.38Å; Q109-V112 PolarHBondContact O-N 2.97Å; Q109-V112 VanDerWaalsContact O-N 3.08Å; Q109-E113 VanDerWaalsContact CG-OE1 3.3Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.45Å; Q109-E113 PolarHBondContact NE2-OE1 3.31Å; Q109-E113 WeakPolarHBondContact O-CG 3.24Å; Q109-E113 PolarHBondContact O-N 3.19Å
110E90.3Very high87.8Confident142 Ų14260.1 Ų60.166%0.66431%0.31SS*.Hα-helixtrans-56-41.5175.5-62.8165.8-162.800112.4L108 L114L108-E110 VanDerWaalsContact C-N 3.26Å; L108-E110 PolarHBondContact O-N 3.15Å; E110-L114 WeakPolarHBondContact O-CB 3.29Å; E110-L114 VanDerWaalsContact O-CG 3.27Å; E110-L114 WeakPolarHBondContact O-CG 3.38Å; E110-L114 PolarHBondContact O-N 3.34Å
111D92.4Very high87.3Confident12 Ų1260.8 Ų60.86%0.06432%0.315CS..Hα-helixtrans-76-24178.2-72.8-62.3000112.8L108 Q109 I115 S355 R359L108-D111 PolarHBondContact O-N 2.99Å; Q109-D111 VanDerWaalsContact C-N 3.31Å; Q109-D111 PolarHBondContact O-N 2.8Å; D111-I115 VanDerWaalsContact O-CG1 3.29Å; D111-I115 WeakPolarHBondContact O-CG1 3.29Å; D111-I115 PolarHBondContact O-N 2.85Å; D111-I115 VanDerWaalsContact O-N 3.15Å; D111-S355 WeakPolarHBondContact CB-OG 3.38Å; D111-S355 VanDerWaalsContact CG-OG 3.27Å; D111-S355 WeakPolarHBondContact OD2-CB 3.45Å; D111-S355 PolarHBondContact OD2-OG 2.84Å; D111-R359 HydrophobicContact CB-CB 4.35Å; D111-R359 IonicContact OD1-CZ 2.67Å; D111-R359 VanDerWaalsContact OD1-CZ 3.25Å; D111-R359 IonicContact OD1-NE 3.6Å; D111-R359 PolarHBondContact OD1-NE 2.91Å; D111-R359 IonicContact OD1-NH2 2.7Å; D111-R359 PolarHBondContact OD1-NH2 3.31Å
112V90.3Very high86.8Confident39 Ų3960.9 Ų60.924%0.23632%0.315CS..Hα-helixtrans-72.9-44.2171.51780000110.4L107 L108 Q109 L114 I115 E116 L123L107-V112 HydrophobicContact CB-CG2 3.74Å; L107-V112 HydrophobicContact CD1-CG2 4.09Å; L108-V112 PolarHBondContact O-N 2.85Å; L108-V112 VanDerWaalsContact O-N 3.07Å; Q109-V112 WeakPolarHBondContact O-CB 3.38Å; Q109-V112 PolarHBondContact O-N 2.97Å; Q109-V112 VanDerWaalsContact O-N 3.08Å; V112-L114 VanDerWaalsContact C-N 3.32Å; V112-L114 PolarHBondContact O-N 3.47Å; V112-I115 WeakPolarHBondContact O-CA 3.49Å; V112-I115 WeakPolarHBondContact O-CB 3.45Å; V112-I115 PolarHBondContact O-N 3.43Å; V112-E116 PolarHBondContact O-N 2.88Å; V112-L123 HydrophobicContact CG1-CD2 4.19Å
113E89.8Confident86.1Confident101 Ų10161.3 Ų61.347%0.47232%0.317SS..Hα-helixtrans-62.8-38.2174.7-70.4168.5-166.400111.5Q109 I115 E116 L117Q109-E113 VanDerWaalsContact CG-OE1 3.3Å; Q109-E113 WeakPolarHBondContact CG-OE1 3.45Å; Q109-E113 PolarHBondContact NE2-OE1 3.31Å; Q109-E113 WeakPolarHBondContact O-CG 3.24Å; Q109-E113 PolarHBondContact O-N 3.19Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-I115 PolarHBondContact O-N 2.87Å; E113-E116 WeakPolarHBondContact O-CB 3.18Å; E113-E116 PolarHBondContact O-N 3.08Å; E113-L117 PolarHBondContact O-N 3.45Å
114L88.5Confident85.4Confident47 Ų4760.8 Ų60.825%0.24632%0.318CS..Hα-helixtrans-63.9-34170.5-74.6170.2000112.8E110 V112 L118E110-L114 WeakPolarHBondContact O-CB 3.29Å; E110-L114 VanDerWaalsContact O-CG 3.27Å; E110-L114 WeakPolarHBondContact O-CG 3.38Å; E110-L114 PolarHBondContact O-N 3.34Å; V112-L114 VanDerWaalsContact C-N 3.32Å; V112-L114 PolarHBondContact O-N 3.47Å; L114-L118 VanDerWaalsContact O-CB 3.29Å; L114-L118 WeakPolarHBondContact O-CB 3.45Å; L114-L118 WeakPolarHBondContact O-CD1 3.33Å; L114-L118 WeakPolarHBondContact O-CG 3.35Å; L114-L118 PolarHBondContact O-N 3.37Å; L114-L118 VanDerWaalsContact O-N 3.08Å
115I89.4Confident84.6Confident0 Ų060.7 Ų60.70%032%0.318CS..Hα-helixtrans-69.7-40173-71.5165.2000110.8L107 D111 V112 E113 L117 L118 D119 L122 L123 R359L107-I115 HydrophobicContact CD1-CD1 3.54Å; D111-I115 VanDerWaalsContact O-CG1 3.29Å; D111-I115 WeakPolarHBondContact O-CG1 3.29Å; D111-I115 PolarHBondContact O-N 2.85Å; D111-I115 VanDerWaalsContact O-N 3.15Å; V112-I115 WeakPolarHBondContact O-CA 3.49Å; V112-I115 WeakPolarHBondContact O-CB 3.45Å; V112-I115 PolarHBondContact O-N 3.43Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-I115 PolarHBondContact O-N 2.87Å; I115-L117 VanDerWaalsContact C-N 3.29Å; I115-L117 PolarHBondContact O-N 3.09Å; I115-L118 PolarHBondContact O-N 2.88Å; I115-D119 CarbonylContact O-C 3.56Å; I115-D119 VanDerWaalsContact O-C 3.22Å; I115-D119 PolarHBondContact O-N 2.82Å; I115-L122 HydrophobicContact CG2-CB 3.97Å; I115-L122 HydrophobicContact CG2-CD1 4.14Å; I115-L123 HydrophobicContact CG2-CD2 4.02Å; I115-L123 HydrophobicContact CG2-CG 4.25Å; I115-R359 HydrophobicContact CD1-CB 4.25Å; I115-R359 HydrophobicContact CD1-CG 4.05Å; I115-R359 HydrophobicContact CG1-CG 3.82Å
116E89Confident83.5Confident116 Ų11655.8 Ų55.854%0.54230%0.297SS..Hα-helixtrans-58.2-42.4175.2-166.2168179.500111.8V112 E113 P120 L123V112-E116 PolarHBondContact O-N 2.88Å; E113-E116 WeakPolarHBondContact O-CB 3.18Å; E113-E116 PolarHBondContact O-N 3.08Å; E116-P120 WeakPolarHBondContact O-CB 3.24Å; E116-P120 WeakPolarHBondContact O-CD 3.38Å; E116-L123 HydrophobicContact CB-CD1 3.57Å; E116-L123 HydrophobicContact CG-CD1 3.83Å
117L86.4Confident81.7Confident141 Ų14159.3 Ų59.374%0.73832%0.323SS*.Hα-helixtrans-69.6-37.9178.1-17564.6000113.3E113 I115E113-L117 PolarHBondContact O-N 3.45Å; I115-L117 VanDerWaalsContact C-N 3.29Å; I115-L117 PolarHBondContact O-N 3.09Å
118L85.1Confident79.2Confident41 Ų4161.9 Ų61.922%0.21534%0.343CS..Hα-helixtrans-93-35.3-171.4-66.5170.8000114.3L114 I115 V302 L363L114-L118 VanDerWaalsContact O-CB 3.29Å; L114-L118 WeakPolarHBondContact O-CB 3.45Å; L114-L118 WeakPolarHBondContact O-CD1 3.33Å; L114-L118 WeakPolarHBondContact O-CG 3.35Å; L114-L118 PolarHBondContact O-N 3.37Å; L114-L118 VanDerWaalsContact O-N 3.08Å; I115-L118 PolarHBondContact O-N 2.88Å; L118-V302 HydrophobicContact CB-CG2 4.24Å; L118-V302 HydrophobicContact CD1-CG2 4.17Å; L118-V302 HydrophobicContact CD2-CG2 3.89Å; L118-V302 HydrophobicContact CG-CG2 4.32Å; L118-L363 HydrophobicContact CB-CD2 4.41Å; L118-L363 HydrophobicContact CD1-CD1 4.2Å
119D84.1Confident76.7Confident24 Ų2464.8 Ų64.813%0.12837%0.365CS..  trans-154.880.7176.3-172.4-7.8000110.4I115 S121 L122 L363 S366I115-D119 CarbonylContact O-C 3.56Å; I115-D119 VanDerWaalsContact O-C 3.22Å; I115-D119 PolarHBondContact O-N 2.82Å; D119-S121 PolarHBondContact O-N 3.33Å; D119-S121 VanDerWaalsContact OD1-CB 3.28Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 3Å; D119-S121 PolarHBondContact OD1-OG 3.35Å; D119-L122 HydrophobicContact CB-CD1 4.16Å; D119-L122 HydrophobicContact CB-CG 3.99Å; D119-L122 PolarHBondContact O-N 2.93Å; D119-L122 WeakPolarHBondContact OD2-CG 3.36Å; D119-L363 HydrophobicContact CB-CD2 4.16Å; D119-S366 WeakPolarHBondContact OD2-CB 3.19Å; D119-S366 PolarHBondContact OD2-OG 3.07Å
120P81.4Confident74.1Confident76 Ų7665.1 Ų65.149%0.49438%0.381SS..THydrogen-bonded Turntrans-62.3-17.3-178.524.3-33.6000112.8E116 L122 L123E116-P120 WeakPolarHBondContact O-CB 3.24Å; E116-P120 WeakPolarHBondContact O-CD 3.38Å; P120-L122 PolarHBondContact O-N 2.99Å; P120-L123 PolarHBondContact O-N 3.32Å
121S78.1Confident71.2Confident24 Ų2461.8 Ų61.817%0.16839%0.385CS..Hα-helixtrans-63.9-25.8176.284.10000112.5D119 T124 H368D119-S121 PolarHBondContact O-N 3.33Å; D119-S121 VanDerWaalsContact OD1-CB 3.28Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 3Å; D119-S121 PolarHBondContact OD1-OG 3.35Å; S121-T124 PolarHBondContact O-N 3.4Å; S121-T124 PolarHBondContact O-OG1 3.06Å; S121-H368 PolarHBondContact OG-CE1 2.9Å; S121-H368 PolarHBondContact OG-ND1 2.82Å
122L79.1Confident68Low1 Ų164.2 Ų64.21%0.00540%0.403CS..Hα-helixtrans-67.6-36.6177.9-58.9-170.3000112.5V98 L102 I115 D119 P120 L125 L363V98-L122 HydrophobicContact CG1-CB 4.1Å; V98-L122 HydrophobicContact CG1-CD1 4.48Å; V98-L122 HydrophobicContact CG1-CD2 4.2Å; V98-L122 HydrophobicContact CG1-CG 4.48Å; V98-L122 HydrophobicContact CG2-CD2 4.43Å; L102-L122 VanDerWaalsContact CD1-O 3.3Å; L102-L122 WeakPolarHBondContact CD1-O 3.32Å; I115-L122 HydrophobicContact CG2-CB 3.97Å; I115-L122 HydrophobicContact CG2-CD1 4.14Å; D119-L122 HydrophobicContact CB-CD1 4.16Å; D119-L122 HydrophobicContact CB-CG 3.99Å; D119-L122 PolarHBondContact O-N 2.93Å; D119-L122 WeakPolarHBondContact OD2-CG 3.36Å; P120-L122 PolarHBondContact O-N 2.99Å; L122-L125 HydrophobicContact CD2-CD1 4.34Å; L122-L125 WeakPolarHBondContact O-CB 3.43Å; L122-L125 PolarHBondContact O-N 3.19Å; L122-L363 HydrophobicContact CD1-CD2 4.03Å
123L74Confident65.1Low41 Ų4168.8 Ų68.822%0.21543%0.434CS..Hα-helixtrans-70.7-35.1-180-59.4-175.7000111.5L102 V112 I115 E116 P120 L125 G126 S127L102-L123 HydrophobicContact CD1-CD2 4.27Å; L102-L123 HydrophobicContact CD2-CD2 4.01Å; V112-L123 HydrophobicContact CG1-CD2 4.19Å; I115-L123 HydrophobicContact CG2-CD2 4.02Å; I115-L123 HydrophobicContact CG2-CG 4.25Å; E116-L123 HydrophobicContact CB-CD1 3.57Å; E116-L123 HydrophobicContact CG-CD1 3.83Å; P120-L123 PolarHBondContact O-N 3.32Å; L123-L125 PolarHBondContact O-N 3.4Å; L123-G126 PolarHBondContact O-N 3.42Å; L123-S127 PolarHBondContact O-N 2.96Å; L123-S127 PolarHBondContact O-OG 2.66Å
124T69.2Low62.2Low91 Ų9168.5 Ų68.556%0.55844%0.443SS*.Hα-helixtrans-61.8-24172.674.30000113.5S121S121-T124 PolarHBondContact O-N 3.4Å; S121-T124 PolarHBondContact O-OG1 3.06Å
125L64.3Low59.7Low28 Ų2876.1 Ų76.115%0.14747%0.468CS..Hα-helixtrans-76.1-30.4175.2-68.1166.1000112.1R99 L122 L123 P367R99-L125 HydrophobicContact CG-CB 4.47Å; R99-L125 WeakPolarHBondContact CG-O 3.14Å; R99-L125 PolarHBondContact NE-O 3.47Å; R99-L125 PolarHBondContact NH2-O 2.94Å; L122-L125 HydrophobicContact CD2-CD1 4.34Å; L122-L125 WeakPolarHBondContact O-CB 3.43Å; L122-L125 PolarHBondContact O-N 3.19Å; L123-L125 PolarHBondContact O-N 3.4Å; L125-P367 HydrophobicContact CD1-CG 3.76Å
126G57.5Low57.1Low24 Ų2481.9 Ų81.925%0.24750%0.503CS..Hα-helixtrans-81.8-37.4173.700000113.4L123 S128L123-G126 PolarHBondContact O-N 3.42Å; G126-S128 PolarHBondContact O-N 2.96Å
127S52.3Low54.6Low89 Ų8981.5 Ų81.562%0.62251%0.513SS*.  trans-7724.7-171.874.70000115.9L123L123-S127 PolarHBondContact O-N 2.96Å; L123-S127 PolarHBondContact O-OG 2.66Å
128S39.9Very low52.4Low76 Ų7677.9 Ų77.953%0.53150%0.5SS..  trans-67.6128.6175.4-69.30000110.1G126 S130G126-S128 PolarHBondContact O-N 2.96Å; S128-S130 PolarHBondContact O-N 3.14Å
129P39.2Very low50.8Low120 Ų12078.8 Ų78.878%0.77951%0.505SS*.  trans-64133.6-160.421.5-33.3000113.7G131P129-G131 PolarHBondContact O-N 3.39Å
130S36Very low49.2Very low134 Ų13478.4 Ų78.494%0.93750%0.503SS*.SBendtrans-69.221.3-176.5-154.20000114.8S128S128-S130 PolarHBondContact O-N 3.14Å
131G29.9Very low47.5Very low72 Ų7282.2 Ų82.274%0.74251%0.508SS*.  trans-100.910.5-166.300000116.6P129P129-G131 PolarHBondContact O-N 3.39Å
132S23.6Very low46Very low63 Ų6388.5 Ų88.544%0.44154%0.535SS..  trans-140.6120174.564.40000113.3S134S132-S134 PolarHBondContact O-N 3.23Å
133P31.2Very low44.4Very low136 Ų13692.8 Ų92.888%0.88356%0.564SS**THydrogen-bonded Turntrans-78.230.6-176.132.9-36.6000113.7
134S29Very low43.1Very low95 Ų9595.2 Ų95.266%0.66457%0.573SS**THydrogen-bonded Turntrans-122.13.5-173.665.60000115.2S132S132-S134 PolarHBondContact O-N 3.23Å
135R34.6Very low42Very low207 Ų20794.4 Ų94.478%0.78157%0.568SS**  trans-127.516.7176.8-63.8-166-165.5173.48.7116.1
136V35Very low41.5Very low121 Ų12194.8 Ų94.873%0.73357%0.573SS**THydrogen-bonded Turntrans-62.2141.3165.9-174.10000109.4
137S37.3Very low41.6Very low107 Ų10799.1 Ų99.175%0.74860%0.595SS**THydrogen-bonded Turntrans77.22.5161.479.60000122.5L139S137-L139 PolarHBondContact O-N 2.96Å
138S40.1Very low42.2Very low65 Ų6598.3 Ų98.346%0.45559%0.588SS.*  trans-74.8106.9174.573.60000112
139L51.7Low43.9Very low61 Ų6196.6 Ų96.632%0.31958%0.576SS.*  trans-37164.6147.5-82.6103.6000111.4S137 R141 M211S137-L139 PolarHBondContact O-N 2.96Å; L139-R141 VanDerWaalsContact O-CA 3.29Å; L139-R141 WeakPolarHBondContact O-CA 3.1Å; L139-R141 PolarHBondContact O-N 3.3Å; L139-M211 HydrophobicContact CD1-CE 3.66Å; L139-M211 HydrophobicContact CD2-CE 3.64Å; L139-M211 HydrophobicContact CD2-CG 4.33Å; L139-M211 HydrophobicContact CG-CE 3.72Å
140P49.4Very low45.9Very low15 Ų1598.2 Ų98.210%0.09758%0.577CS.*SBendtrans-41104.2158.418.8-33.5000110.3V92 Q207 T210V92-P140 HydrophobicContact CG1-CB 3.78Å; P140-Q207 HydrophobicContact CG-CG 4.23Å; P140-T210 HydrophobicContact CG-CG2 4.5Å
141R46.2Very low47.8Very low156 Ų156101.6 Ų101.659%0.58957%0.569SS**  trans-57.7143.8-156.3-89.5-174.5170.8-162.5-3.5110.2L139 S143 F144L139-R141 VanDerWaalsContact O-CA 3.29Å; L139-R141 WeakPolarHBondContact O-CA 3.1Å; L139-R141 PolarHBondContact O-N 3.3Å; R141-S143 WeakPolarHBondContact CB-OG 3.45Å; R141-S143 PolarHBondContact O-N 2.92Å; R141-F144 PolarHBondContact O-N 3.44Å
142Q47.6Very low50.3Low157 Ų15799 Ų9973%0.73454%0.538SS*.G310 helixtrans-59.4-5.4170.7-65.4-1754.800113.3F144 V145Q142-F144 PolarHBondContact O-N 3.34Å; Q142-F144 VanDerWaalsContact O-N 3.16Å; Q142-V145 HydrophobicContact CB-CG2 4.32Å; Q142-V145 VanDerWaalsContact O-CB 3.22Å; Q142-V145 WeakPolarHBondContact O-CB 3.25Å; Q142-V145 WeakPolarHBondContact O-CG2 3.32Å; Q142-V145 PolarHBondContact O-N 2.76Å
143S45.3Very low53.2Low90 Ų9099.4 Ų99.463%0.62954%0.538SS*.G310 helixtrans-59.8-14.8166.7560000114.2R141R141-S143 WeakPolarHBondContact CB-OG 3.45Å; R141-S143 PolarHBondContact O-N 2.92Å
144F45.8Very low55.7Low92 Ų9295.5 Ų95.540%0.40452%0.517SS..G310 helixtrans-84.3-5.8168.3-74.1-69.1000114.3R141 Q142 S146 Q203R141-F144 PolarHBondContact O-N 3.44Å; Q142-F144 PolarHBondContact O-N 3.34Å; Q142-F144 VanDerWaalsContact O-N 3.16Å; F144-S146 PolarHBondContact O-N 3.12Å; F144-Q203 VanDerWaalsContact O-CD 3.28Å; F144-Q203 PolarHBondContact O-NE2 2.98Å; F144-Q203 PolarHBondContact O-OE1 3.02Å
145V47Very low58.2Low75 Ų7591.7 Ų91.746%0.45549%0.493SS..SBendtrans-51.3113165.3169.60000106.1Q142 T147Q142-V145 HydrophobicContact CB-CG2 4.32Å; Q142-V145 VanDerWaalsContact O-CB 3.22Å; Q142-V145 WeakPolarHBondContact O-CB 3.25Å; Q142-V145 WeakPolarHBondContact O-CG2 3.32Å; Q142-V145 PolarHBondContact O-N 2.76Å; V145-T147 VanDerWaalsContact C-N 3.32Å; V145-T147 PolarHBondContact O-N 2.95Å
146S53.9Low60.6Low36 Ų3686.3 Ų86.325%0.25248%0.48SS..  trans-59.998.3-173.8-60.30000108F144F144-S146 PolarHBondContact O-N 3.12Å
147T58.5Low63.2Low115 Ų11586.5 Ų86.571%0.70648%0.476SS*.PPolyproline II helixtrans-59.3124.7176.541.70000105.7V145 S149V145-T147 VanDerWaalsContact C-N 3.32Å; V145-T147 PolarHBondContact O-N 2.95Å; T147-S149 PolarHBondContact O-N 3.5Å
148P65.1Low65.5Low72 Ų7282.9 Ų82.947%0.46846%0.456SS..PPolyproline II helixtrans-57.3122.4176.125.2-32.7000106D152 V153P148-D152 HydrophobicContact CB-CB 4.04Å; P148-V153 HydrophobicContact CB-CG2 3.98Å; P148-V153 HydrophobicContact CG-CG2 4.01Å
149S76.4Confident67.6Low40 Ų4080.8 Ų80.828%0.2844%0.439SS..PPolyproline II helixtrans-61.6158.8-177680000109T147 W151 D152 V153T147-S149 PolarHBondContact O-N 3.5Å; S149-W151 PolarHBondContact O-N 2.98Å; S149-D152 VanDerWaalsContact CB-OD2 3.31Å; S149-D152 WeakPolarHBondContact CB-OD2 3.38Å; S149-D152 PolarHBondContact N-OD2 2.86Å; S149-D152 WeakPolarHBondContact O-CA 3.5Å; S149-D152 WeakPolarHBondContact O-CB 3.44Å; S149-D152 PolarHBondContact O-N 3Å; S149-D152 VanDerWaalsContact OG-CG 3.32Å; S149-D152 PolarHBondContact OG-N 2.96Å; S149-D152 PolarHBondContact OG-OD2 3.24Å; S149-V153 PolarHBondContact O-N 2.71Å
150L80.3Confident69.3Low153 Ų15380.4 Ų80.480%0.80145%0.445SS*.Hα-helixtrans-50.7-30.8175.1-72.8164.5000111.8A154L150-A154 WeakPolarHBondContact O-CB 3.38Å; L150-A154 PolarHBondContact O-N 2.91Å
151W77.1Confident71.1Confident205 Ų20582.7 Ų82.778%0.77747%0.465SS*.Hα-helixtrans-74.2-32.8173.9-60.2106.1000114.8S149 G155S149-W151 PolarHBondContact O-N 2.98Å; W151-G155 PolarHBondContact O-N 3.43Å
152D80.7Confident72.9Confident17 Ų1777.5 Ų77.59%0.09145%0.45CS..Hα-helixtrans-69.7-41.2173-61.6-63.1000110.4P148 S149 G155 L156 R192P148-D152 HydrophobicContact CB-CB 4.04Å; S149-D152 VanDerWaalsContact CB-OD2 3.31Å; S149-D152 WeakPolarHBondContact CB-OD2 3.38Å; S149-D152 PolarHBondContact N-OD2 2.86Å; S149-D152 WeakPolarHBondContact O-CA 3.5Å; S149-D152 WeakPolarHBondContact O-CB 3.44Å; S149-D152 PolarHBondContact O-N 3Å; S149-D152 VanDerWaalsContact OG-CG 3.32Å; S149-D152 PolarHBondContact OG-N 2.96Å; S149-D152 PolarHBondContact OG-OD2 3.24Å; D152-G155 PolarHBondContact O-N 3.42Å; D152-L156 WeakPolarHBondContact O-CG 3.48Å; D152-L156 PolarHBondContact O-N 2.95Å; D152-R192 VanDerWaalsContact CG-NH1 3.32Å; D152-R192 WeakPolarHBondContact OD1-CD 3.44Å; D152-R192 IonicContact OD1-CZ 3.83Å; D152-R192 IonicContact OD1-NE 2.84Å; D152-R192 IonicContact OD1-NH1 3.77Å; D152-R192 PolarHBondContact OD1-NH1 3.1Å; D152-R192 IonicContact OD2-NH1 3.52Å; D152-R192 PolarHBondContact OD2-NH1 3.27Å
153V84.6Confident74.5Confident73 Ų7374.3 Ų74.344%0.44244%0.438SS..Hα-helixtrans-66.8-45.5175-177.90000111P148 S149 G155 L156 L157P148-V153 HydrophobicContact CB-CG2 3.98Å; P148-V153 HydrophobicContact CG-CG2 4.01Å; S149-V153 PolarHBondContact O-N 2.71Å; V153-G155 VanDerWaalsContact C-N 3.33Å; V153-G155 PolarHBondContact O-N 2.93Å; V153-L156 PolarHBondContact O-N 2.84Å; V153-L157 WeakPolarHBondContact O-CB 3.35Å; V153-L157 PolarHBondContact O-N 2.97Å
154A84.6Confident76.5Confident53 Ų5375.7 Ų75.744%0.43844%0.438SS..Hα-helixtrans-63.9-36.3175.800000112.4L150 L157 G158L150-A154 WeakPolarHBondContact O-CB 3.38Å; L150-A154 PolarHBondContact O-N 2.91Å; A154-L157 PolarHBondContact O-N 3.42Å; A154-G158 PolarHBondContact O-N 3.14Å
155G82.3Confident78.2Confident16 Ų1673.3 Ų73.317%0.16544%0.439CS..Hα-helixtrans-65.2-43174.400000112.8W151 D152 V153 G158 L159W151-G155 PolarHBondContact O-N 3.43Å; D152-G155 PolarHBondContact O-N 3.42Å; V153-G155 VanDerWaalsContact C-N 3.33Å; V153-G155 PolarHBondContact O-N 2.93Å; G155-G158 PolarHBondContact O-N 3.22Å; G155-L159 WeakPolarHBondContact O-CB 3.26Å; G155-L159 PolarHBondContact O-N 2.97Å
156L84.8Confident79.8Confident94 Ų9472.4 Ų72.449%0.49243%0.433SS..Hα-helixtrans-64.1-43.5173.4-77.8163.9000112.2D152 V153 L159 A160 V189D152-L156 WeakPolarHBondContact O-CG 3.48Å; D152-L156 PolarHBondContact O-N 2.95Å; V153-L156 PolarHBondContact O-N 2.84Å; L156-L159 PolarHBondContact O-N 2.76Å; L156-A160 WeakPolarHBondContact O-CB 3.44Å; L156-A160 PolarHBondContact O-N 2.94Å; L156-V189 HydrophobicContact CD2-CG1 3.66Å; L156-V189 HydrophobicContact CG-CG1 4.43Å
157L88.3Confident80.9Confident125 Ų12575.7 Ų75.765%0.65446%0.455SS*.Hα-helixtrans-66.5-39.2177.9-172.664000111.8V153 A154 A160 A161V153-L157 WeakPolarHBondContact O-CB 3.35Å; V153-L157 PolarHBondContact O-N 2.97Å; A154-L157 PolarHBondContact O-N 3.42Å; L157-A160 PolarHBondContact O-N 3.33Å; L157-A161 WeakPolarHBondContact O-CB 3.39Å; L157-A161 PolarHBondContact O-N 3.43Å
158G85.8Confident82.1Confident31 Ų3174.6 Ų74.632%0.3245%0.451SS..Hα-helixtrans-63.9-43.4173.400000112.5A154 G155 A160 A161 V162A154-G158 PolarHBondContact O-N 3.14Å; G155-G158 PolarHBondContact O-N 3.22Å; G158-A160 PolarHBondContact O-N 3.3Å; G158-A161 PolarHBondContact O-N 3.07Å; G158-V162 WeakPolarHBondContact O-CG2 3.47Å; G158-V162 PolarHBondContact O-N 3.15Å
159L84.5Confident82.5Confident21 Ų2174.1 Ų74.111%0.1145%0.45CS..Hα-helixtrans-58.7-47.2172.7-17285.2000111G155 L156 A161 V162 L163 L185 L186 V189G155-L159 WeakPolarHBondContact O-CB 3.26Å; G155-L159 PolarHBondContact O-N 2.97Å; L156-L159 PolarHBondContact O-N 2.76Å; L159-A161 PolarHBondContact O-N 3.41Å; L159-V162 PolarHBondContact O-N 2.92Å; L159-L163 HydrophobicContact CD2-CD1 4.26Å; L159-L163 HydrophobicContact CG-CD1 4.04Å; L159-L163 WeakPolarHBondContact O-CB 3.41Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.24Å; L159-L163 PolarHBondContact O-N 2.72Å; L159-L185 HydrophobicContact CD1-CB 4.03Å; L159-L186 HydrophobicContact CD1-CB 4.04Å; L159-L186 HydrophobicContact CD1-CD1 4.12Å; L159-L186 HydrophobicContact CD2-CD1 4.07Å; L159-V189 HydrophobicContact CD2-CG1 4.39Å
160A87.4Confident82Confident53 Ų5376.7 Ų76.744%0.43847%0.465SS..Hα-helixtrans-60.9-42.2178.300000112.1L156 L157 G158 L163 L164L156-A160 WeakPolarHBondContact O-CB 3.44Å; L156-A160 PolarHBondContact O-N 2.94Å; L157-A160 PolarHBondContact O-N 3.33Å; G158-A160 PolarHBondContact O-N 3.3Å; A160-L163 PolarHBondContact O-N 2.94Å; A160-L164 WeakPolarHBondContact O-CB 3.35Å; A160-L164 PolarHBondContact O-N 2.91Å
161A86.7Confident81.5Confident63 Ų6377.2 Ų77.252%0.52147%0.469SS..Hα-helixtrans-64.8-40.9176.500000112.8L157 G158 L159 L164 G165L157-A161 WeakPolarHBondContact O-CB 3.39Å; L157-A161 PolarHBondContact O-N 3.43Å; G158-A161 PolarHBondContact O-N 3.07Å; L159-A161 PolarHBondContact O-N 3.41Å; A161-L164 PolarHBondContact O-N 2.67Å; A161-G165 PolarHBondContact O-N 3.22Å
162V84Confident81.2Confident46 Ų4669.5 Ų69.528%0.27945%0.446SS..Hα-helixtrans-65.9-44.4176.1171.10000111.1G158 L159 G165 V166 A182 L185G158-V162 WeakPolarHBondContact O-CG2 3.47Å; G158-V162 PolarHBondContact O-N 3.15Å; L159-V162 PolarHBondContact O-N 2.92Å; V162-G165 PolarHBondContact O-N 3.2Å; V162-V166 WeakPolarHBondContact O-CG2 3.27Å; V162-V166 PolarHBondContact O-N 2.92Å; V162-A182 HydrophobicContact CG1-CB 3.66Å; V162-L185 HydrophobicContact CG2-CD1 4.26Å
163L82.6Confident80.7Confident91 Ų9175.9 Ų75.948%0.47648%0.48SS..Hα-helixtrans-62.9-43.1175.9-70.4170.9000111.7L159 A160 G165 V166 C167L159-L163 HydrophobicContact CD2-CD1 4.26Å; L159-L163 HydrophobicContact CG-CD1 4.04Å; L159-L163 WeakPolarHBondContact O-CB 3.41Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.24Å; L159-L163 PolarHBondContact O-N 2.72Å; A160-L163 PolarHBondContact O-N 2.94Å; L163-G165 PolarHBondContact O-N 2.7Å; L163-V166 PolarHBondContact O-N 3.2Å; L163-C167 WeakPolarHBondContact O-CB 3.46Å; L163-C167 PolarHBondContact O-N 2.76Å; L163-C167 PolarHBondContact O-SG 3.08Å
164L85.4Confident79.9Confident119 Ų11982.3 Ų82.362%0.62350%0.496SS*.Hα-helixtrans-60.3-45.2175.5-160.685.4000111.1A160 A161 V166 C167 C168A160-L164 WeakPolarHBondContact O-CB 3.35Å; A160-L164 PolarHBondContact O-N 2.91Å; A161-L164 PolarHBondContact O-N 2.67Å; L164-V166 PolarHBondContact O-N 2.95Å; L164-C167 PolarHBondContact O-N 3.5Å; L164-C168 WeakPolarHBondContact O-CB 3.36Å; L164-C168 PolarHBondContact O-N 2.97Å; L164-C168 PolarHBondContact O-SG 3.02Å
165G82.4Confident79.2Confident41 Ų4180.9 Ų80.942%0.42348%0.483SS..Hα-helixtrans-61-41.8177.500000113.5A161 V162 L163 C168 S169A161-G165 PolarHBondContact O-N 3.22Å; V162-G165 PolarHBondContact O-N 3.2Å; L163-G165 PolarHBondContact O-N 2.7Å; G165-C168 PolarHBondContact O-N 2.95Å; G165-S169 PolarHBondContact O-N 3.14Å
166V79.8Confident78.9Confident57 Ų5786.8 Ų86.835%0.34551%0.51SS..Hα-helixtrans-66.1-43.7175.2172.40000111.2V162 L163 L164 C168 S169V162-V166 WeakPolarHBondContact O-CG2 3.27Å; V162-V166 PolarHBondContact O-N 2.92Å; L163-V166 PolarHBondContact O-N 3.2Å; L164-V166 PolarHBondContact O-N 2.95Å; V166-C168 VanDerWaalsContact C-N 3.33Å; V166-C168 PolarHBondContact O-N 3.05Å; V166-S169 CarbonylContact O-C 3.55Å; V166-S169 PolarHBondContact O-N 2.87Å
167C78.5Confident78.6Confident104 Ų10485 Ų8570%0.70351%0.508SS*.Hα-helixtrans-64.3-34176.9-70.80000113.3L163 L164L163-C167 WeakPolarHBondContact O-CB 3.46Å; L163-C167 PolarHBondContact O-N 2.76Å; L163-C167 PolarHBondContact O-SG 3.08Å; L164-C167 PolarHBondContact O-N 3.5Å
168C81.8Confident78.2Confident92 Ų9280.6 Ų80.662%0.62249%0.49SS*.THydrogen-bonded Turntrans-83.6-5.9179.6-68.90000114.3L164 G165 V166L164-C168 WeakPolarHBondContact O-CB 3.36Å; L164-C168 PolarHBondContact O-N 2.97Å; L164-C168 PolarHBondContact O-SG 3.02Å; G165-C168 PolarHBondContact O-N 2.95Å; V166-C168 VanDerWaalsContact C-N 3.33Å; V166-C168 PolarHBondContact O-N 3.05Å
169S73.8Confident77.9Confident63 Ų6381.1 Ų81.144%0.44149%0.492SS..  trans-150.764.4-177.7-71.30000112.6G165 V166 D171 S172 S175G165-S169 PolarHBondContact O-N 3.14Å; V166-S169 CarbonylContact O-C 3.55Å; V166-S169 PolarHBondContact O-N 2.87Å; S169-D171 VanDerWaalsContact C-N 3.34Å; S169-D171 PolarHBondContact O-N 2.92Å; S169-S172 PolarHBondContact O-N 3.46Å; S169-S175 PolarHBondContact O-OG 2.82Å
170P65.6Low77.9Confident94 Ų9483.8 Ų83.861%0.6151%0.51SS*.THydrogen-bonded Turntrans-62.8-36.8-176.825.5-34.5000113.3S172P170-S172 VanDerWaalsContact C-N 3.26Å; P170-S172 PolarHBondContact O-N 2.74Å
171D71.5Confident77.6Confident163 Ų16390.7 Ų90.787%0.87253%0.525SS*.THydrogen-bonded Turntrans-83.76.7-173.9-56.9-40.5000114.3S169S169-D171 VanDerWaalsContact C-N 3.34Å; S169-D171 PolarHBondContact O-N 2.92Å
172S69.7Low77.4Confident43 Ų4388.6 Ų88.630%0.30151%0.508SS..  trans-85.3132-176.2-173.70000112.2S169 P170 W174 S175S169-S172 PolarHBondContact O-N 3.46Å; P170-S172 VanDerWaalsContact C-N 3.26Å; P170-S172 PolarHBondContact O-N 2.74Å; S172-W174 PolarHBondContact O-N 2.7Å; S172-W174 VanDerWaalsContact O-N 3.07Å; S172-W174 WeakPolarHBondContact OG-CB 3.25Å; S172-W174 PolarHBondContact OG-N 3.35Å; S172-S175 VanDerWaalsContact O-CB 3.29Å; S172-S175 WeakPolarHBondContact O-CB 3.41Å; S172-S175 PolarHBondContact O-N 3.38Å; S172-S175 PolarHBondContact O-OG 3.49Å
173L70.4Confident77.5Confident152 Ų15292.1 Ų92.180%0.79653%0.525SS*.Hα-helixtrans-55.2-25.1169.3-78.6162.5000112.7S175 L176 A177L173-S175 VanDerWaalsContact C-N 3.28Å; L173-S175 PolarHBondContact O-N 3.12Å; L173-L176 PolarHBondContact O-N 3.36Å; L173-A177 PolarHBondContact O-N 3.11Å
174W67.5Low77.6Confident207 Ų20790.7 Ų90.778%0.78453%0.526SS*.Hα-helixtrans-67.6-25.6174.5-66.296.4000113.2S172 A177 A178S172-W174 PolarHBondContact O-N 2.7Å; S172-W174 VanDerWaalsContact O-N 3.07Å; S172-W174 WeakPolarHBondContact OG-CB 3.25Å; S172-W174 PolarHBondContact OG-N 3.35Å; W174-A177 PolarHBondContact O-N 3.45Å; W174-A178 VanDerWaalsContact O-CB 3.26Å; W174-A178 WeakPolarHBondContact O-CB 3.4Å; W174-A178 PolarHBondContact O-N 2.99Å
175S70.3Confident77.5Confident23 Ų2387.9 Ų87.916%0.16151%0.511CS..Hα-helixtrans-68.6-35.1178-59.10000111.7S169 S172 L173 A179S169-S175 PolarHBondContact O-OG 2.82Å; S172-S175 VanDerWaalsContact O-CB 3.29Å; S172-S175 WeakPolarHBondContact O-CB 3.41Å; S172-S175 PolarHBondContact O-N 3.38Å; S172-S175 PolarHBondContact O-OG 3.49Å; L173-S175 VanDerWaalsContact C-N 3.28Å; L173-S175 PolarHBondContact O-N 3.12Å; S175-A179 PolarHBondContact O-N 2.9Å; S175-A179 VanDerWaalsContact O-N 3.09Å
176L75.4Confident77.7Confident140 Ų14090.1 Ų90.173%0.73351%0.513SS*.Hα-helixtrans-66-38.6170.3-92160000112.5L173L173-L176 PolarHBondContact O-N 3.36Å
177A79.1Confident78Confident56 Ų5689.4 Ų89.446%0.46352%0.517SS..Hα-helixtrans-75.6-29.6177.700000113.4L173 W174 P180L173-A177 PolarHBondContact O-N 3.11Å; W174-A177 PolarHBondContact O-N 3.45Å; A177-P180 WeakPolarHBondContact O-CD 3.31Å
178A79.6Confident78.2Confident33 Ų3387.2 Ų87.227%0.27349%0.494SS..Hα-helixtrans-80.9-27.7178.800000113.2W174 W181 A182W174-A178 VanDerWaalsContact O-CB 3.26Å; W174-A178 WeakPolarHBondContact O-CB 3.4Å; W174-A178 PolarHBondContact O-N 2.99Å; A178-W181 PolarHBondContact O-N 2.72Å; A178-A182 PolarHBondContact O-N 3.15Å
179A80.4Confident78.4Confident43 Ų4384.2 Ų84.236%0.35547%0.473SS..Hα-helixtrans-47.6-49.6179.700000115.5S175 W181 A182 L183S175-A179 PolarHBondContact O-N 2.9Å; S175-A179 VanDerWaalsContact O-N 3.09Å; A179-W181 VanDerWaalsContact C-N 3.33Å; A179-W181 PolarHBondContact O-N 3.29Å; A179-A182 PolarHBondContact O-N 2.87Å; A179-L183 WeakPolarHBondContact O-CG 3.26Å; A179-L183 PolarHBondContact O-N 2.97Å
180P83.6Confident78.9Confident77 Ų7784.2 Ų84.250%0.548%0.477SS..Hα-helixtrans-64.3-35.2178.224.3-34.7000113.2A177 L183 A184A177-P180 WeakPolarHBondContact O-CD 3.31Å; P180-L183 PolarHBondContact O-N 2.76Å; P180-A184 WeakPolarHBondContact O-CB 3.48Å; P180-A184 PolarHBondContact O-N 2.82Å
181W80.7Confident79.8Confident197 Ų19783 Ų8375%0.74647%0.465SS*.Hα-helixtrans-71.8-37.9176.5-66.5105.4000112.1A178 A179 A184 L185A178-W181 PolarHBondContact O-N 2.72Å; A179-W181 VanDerWaalsContact C-N 3.33Å; A179-W181 PolarHBondContact O-N 3.29Å; W181-A184 PolarHBondContact O-N 3.34Å; W181-L185 WeakPolarHBondContact O-CB 3.47Å; W181-L185 WeakPolarHBondContact O-CG 3.44Å; W181-L185 PolarHBondContact O-N 3.1Å
182A83.8Confident80.2Confident20 Ų2079.2 Ų79.217%0.16544%0.438CS..Hα-helixtrans-61.7-43.6172.700000111.6V162 A178 A179 L185 L186V162-A182 HydrophobicContact CG1-CB 3.66Å; A178-A182 PolarHBondContact O-N 3.15Å; A179-A182 PolarHBondContact O-N 2.87Å; A182-L185 PolarHBondContact O-N 3.37Å; A182-L186 VanDerWaalsContact O-CB 3.31Å; A182-L186 WeakPolarHBondContact O-CB 3.32Å; A182-L186 PolarHBondContact O-N 2.75Å
183L86.1Confident80.8Confident120 Ų12079 Ų7963%0.62844%0.442SS*.Hα-helixtrans-64.9-40.5175.6-72.2171.4000112.4A179 P180 L186 G187A179-L183 WeakPolarHBondContact O-CG 3.26Å; A179-L183 PolarHBondContact O-N 2.97Å; P180-L183 PolarHBondContact O-N 2.76Å; L183-L186 PolarHBondContact O-N 3.47Å; L183-G187 PolarHBondContact O-N 3.16Å
184A84.3Confident81.5Confident61 Ų6175 Ų7550%0.50442%0.421SS..Hα-helixtrans-63.8-43.9175.400000112.1P180 W181 G187 W188P180-A184 WeakPolarHBondContact O-CB 3.48Å; P180-A184 PolarHBondContact O-N 2.82Å; W181-A184 PolarHBondContact O-N 3.34Å; A184-G187 PolarHBondContact O-N 3.42Å; A184-W188 WeakPolarHBondContact O-CB 3.32Å; A184-W188 PolarHBondContact O-N 2.87Å
185L83.8Confident82.1Confident60 Ų6065.9 Ų65.931%0.31439%0.39SS..Hα-helixtrans-64.4-39.9174.4-74.6169.8000112.1L159 V162 W181 A182 W188 V189L159-L185 HydrophobicContact CD1-CB 4.03Å; V162-L185 HydrophobicContact CG2-CD1 4.26Å; W181-L185 WeakPolarHBondContact O-CB 3.47Å; W181-L185 WeakPolarHBondContact O-CG 3.44Å; W181-L185 PolarHBondContact O-N 3.1Å; A182-L185 PolarHBondContact O-N 3.37Å; L185-W188 PolarHBondContact O-N 3.37Å; L185-V189 WeakPolarHBondContact O-CB 3.32Å; L185-V189 WeakPolarHBondContact O-CG2 3.35Å; L185-V189 PolarHBondContact O-N 2.75Å
186L86.9Confident82.6Confident88 Ų8867 Ų6746%0.46139%0.394SS..Hα-helixtrans-63.4-45.5176.4-17369.9000111.4L159 A182 L183 W188 V189 A190L159-L186 HydrophobicContact CD1-CB 4.04Å; L159-L186 HydrophobicContact CD1-CD1 4.12Å; L159-L186 HydrophobicContact CD2-CD1 4.07Å; A182-L186 VanDerWaalsContact O-CB 3.31Å; A182-L186 WeakPolarHBondContact O-CB 3.32Å; A182-L186 PolarHBondContact O-N 2.75Å; L183-L186 PolarHBondContact O-N 3.47Å; L186-W188 VanDerWaalsContact C-N 3.35Å; L186-W188 PolarHBondContact O-N 2.87Å; L186-V189 PolarHBondContact O-N 2.67Å; L186-A190 VanDerWaalsContact O-CB 3.32Å; L186-A190 WeakPolarHBondContact O-CB 3.3Å; L186-A190 PolarHBondContact O-N 2.96Å
187G85.4Confident83Confident42 Ų4266.5 Ų66.543%0.43338%0.383SS..Hα-helixtrans-61.6-41174.900000112.6L183 A184 A190 L191L183-G187 PolarHBondContact O-N 3.16Å; A184-G187 PolarHBondContact O-N 3.42Å; G187-A190 PolarHBondContact O-N 3.35Å; G187-L191 WeakPolarHBondContact O-CB 3.29Å; G187-L191 PolarHBondContact O-N 3.29Å
188W83.5Confident83.2Confident58 Ų5870.3 Ų70.322%0.2239%0.385CS..Hα-helixtrans-61.4-49.7174.2175.7-107.7000112.5W73 A184 L185 L186 A190 L191 R192W73-W188 HydrophobicContact CB-CZ3 4.09Å; W73-W188 AromaticContact CD1-CH2 3.32Å; W73-W188 AromaticContact CD1-CZ3 3.4Å; W73-W188 AromaticContact CD2-CE3 3.95Å; W73-W188 HydrophobicContact CD2-CE3 3.95Å; W73-W188 AromaticContact CD2-CH2 3.9Å; W73-W188 HydrophobicContact CD2-CH2 3.9Å; W73-W188 AromaticContact CD2-CZ3 3.33Å; W73-W188 HydrophobicContact CD2-CZ3 3.33Å; W73-W188 AromaticContact CE2-CH2 3.51Å; W73-W188 AromaticContact CE2-CZ3 3.42Å; W73-W188 VanDerWaalsContact CE2-CZ3 3.42Å; W73-W188 HydrophobicContact CE3-CE3 4.14Å; W73-W188 AromaticContact CE3-CZ3 3.98Å; W73-W188 HydrophobicContact CE3-CZ3 3.98Å; W73-W188 HydrophobicContact CG-CE3 4.35Å; W73-W188 AromaticContact CG-CH2 3.81Å; W73-W188 HydrophobicContact CG-CH2 3.81Å; W73-W188 AromaticContact CG-CZ3 3.35Å; W73-W188 HydrophobicContact CG-CZ3 3.35Å; W73-W188 HydrophobicContact CZ2-CE3 4.34Å; W73-W188 HydrophobicContact CZ2-CH2 4.16Å; W73-W188 HydrophobicContact CZ2-CZ2 4.46Å; W73-W188 HydrophobicContact CZ2-CZ3 4.1Å; W73-W188 HydrophobicContact CZ3-CE3 4.41Å; W73-W188 AromaticContact NE1-CH2 3.17Å; W73-W188 AromaticContact NE1-CZ3 3.49Å; A184-W188 WeakPolarHBondContact O-CB 3.32Å; A184-W188 PolarHBondContact O-N 2.87Å; L185-W188 PolarHBondContact O-N 3.37Å; L186-W188 VanDerWaalsContact C-N 3.35Å; L186-W188 PolarHBondContact O-N 2.87Å; W188-A190 VanDerWaalsContact C-N 3.34Å; W188-A190 PolarHBondContact O-N 3.35Å; W188-L191 PolarHBondContact O-N 3.09Å; W188-R192 HydrophobicContact CD2-CG 4.34Å; W188-R192 HydrophobicContact CZ2-CG 4.03Å; W188-R192 VanDerWaalsContact CZ2-NE 3.25Å; W188-R192 WeakPolarHBondContact O-CB 3.28Å; W188-R192 WeakPolarHBondContact O-CG 3.33Å; W188-R192 PolarHBondContact O-N 3.42Å
189V85.2Confident83.2Confident28 Ų2872.1 Ų72.117%0.1739%0.385CS..Hα-helixtrans-63-39.7177.6169.90000111.2L156 L159 L185 L186 R192 G193L156-V189 HydrophobicContact CD2-CG1 3.66Å; L156-V189 HydrophobicContact CG-CG1 4.43Å; L159-V189 HydrophobicContact CD2-CG1 4.39Å; L185-V189 WeakPolarHBondContact O-CB 3.32Å; L185-V189 WeakPolarHBondContact O-CG2 3.35Å; L185-V189 PolarHBondContact O-N 2.75Å; L186-V189 PolarHBondContact O-N 2.67Å; V189-R192 PolarHBondContact O-N 2.9Å; V189-G193 PolarHBondContact O-N 3.18Å
190A85Confident83.4Confident63 Ų6377.2 Ų77.252%0.52140%0.395SS..Hα-helixtrans-64.1-44.5176.100000112.2L186 G187 W188 G193 L194L186-A190 VanDerWaalsContact O-CB 3.32Å; L186-A190 WeakPolarHBondContact O-CB 3.3Å; L186-A190 PolarHBondContact O-N 2.96Å; G187-A190 PolarHBondContact O-N 3.35Å; W188-A190 VanDerWaalsContact C-N 3.34Å; W188-A190 PolarHBondContact O-N 3.35Å; A190-G193 PolarHBondContact O-N 2.68Å; A190-L194 WeakPolarHBondContact O-CB 3.43Å; A190-L194 PolarHBondContact O-N 2.74Å
191L82.9Confident83.4Confident70 Ų7080.6 Ų80.637%0.36640%0.398SS..Hα-helixtrans-65.8-40.2177.5-172.666.7000111.9G187 W188 L194 A195G187-L191 WeakPolarHBondContact O-CB 3.29Å; G187-L191 PolarHBondContact O-N 3.29Å; W188-L191 PolarHBondContact O-N 3.09Å; L191-L194 PolarHBondContact O-N 3.16Å; L191-A195 PolarHBondContact O-N 2.72Å
192R81.4Confident83.5Confident83 Ų8373 Ų7331%0.31337%0.371SS..Hα-helixtrans-63.5-45.1172.2-80.1-64.9-164.1130.2-10112.3D152 W188 V189 L194 A195 L196D152-R192 VanDerWaalsContact CG-NH1 3.32Å; D152-R192 WeakPolarHBondContact OD1-CD 3.44Å; D152-R192 IonicContact OD1-CZ 3.83Å; D152-R192 IonicContact OD1-NE 2.84Å; D152-R192 IonicContact OD1-NH1 3.77Å; D152-R192 PolarHBondContact OD1-NH1 3.1Å; D152-R192 IonicContact OD2-NH1 3.52Å; D152-R192 PolarHBondContact OD2-NH1 3.27Å; W188-R192 HydrophobicContact CD2-CG 4.34Å; W188-R192 HydrophobicContact CZ2-CG 4.03Å; W188-R192 VanDerWaalsContact CZ2-NE 3.25Å; W188-R192 WeakPolarHBondContact O-CB 3.28Å; W188-R192 WeakPolarHBondContact O-CG 3.33Å; W188-R192 PolarHBondContact O-N 3.42Å; V189-R192 PolarHBondContact O-N 2.9Å; R192-L194 PolarHBondContact O-N 2.76Å; R192-A195 VanDerWaalsContact O-CB 3.26Å; R192-A195 WeakPolarHBondContact O-CB 3.48Å; R192-A195 PolarHBondContact O-N 2.77Å; R192-A195 VanDerWaalsContact O-N 3.16Å; R192-L196 WeakPolarHBondContact O-CG 3Å; R192-L196 PolarHBondContact O-N 3.16Å
193G82.2Confident83.5Confident37 Ų3772.7 Ų72.738%0.38137%0.366SS..Hα-helixtrans-59.2-44.9175.500000112V189 A190 A195 L196 W197V189-G193 PolarHBondContact O-N 3.18Å; A190-G193 PolarHBondContact O-N 2.68Å; G193-A195 VanDerWaalsContact C-N 3.33Å; G193-A195 PolarHBondContact O-N 3Å; G193-L196 PolarHBondContact O-N 2.91Å; G193-W197 WeakPolarHBondContact O-CB 3.43Å; G193-W197 PolarHBondContact O-N 2.99Å
194L84.4Confident83.4Confident68 Ų6872.4 Ų72.436%0.35636%0.36SS..Hα-helixtrans-62.6-38.4174.7-174.264.1000112.1A190 L191 R192 W197 R198A190-L194 WeakPolarHBondContact O-CB 3.43Å; A190-L194 PolarHBondContact O-N 2.74Å; L191-L194 PolarHBondContact O-N 3.16Å; R192-L194 PolarHBondContact O-N 2.76Å; L194-W197 HydrophobicContact CD1-CE3 3.85Å; L194-W197 HydrophobicContact CD1-CZ3 3.94Å; L194-R198 WeakPolarHBondContact O-CB 3.36Å; L194-R198 VanDerWaalsContact O-CG 3.31Å; L194-R198 WeakPolarHBondContact O-CG 3.25Å; L194-R198 PolarHBondContact O-N 3.37Å
195A80.4Confident83.5Confident16 Ų1671.9 Ų71.913%0.13235%0.349CS..Hα-helixtrans-59.8-54.8174.600000111.7L191 R192 G193 W197 R198 R199L191-A195 PolarHBondContact O-N 2.72Å; R192-A195 VanDerWaalsContact O-CB 3.26Å; R192-A195 WeakPolarHBondContact O-CB 3.48Å; R192-A195 PolarHBondContact O-N 2.77Å; R192-A195 VanDerWaalsContact O-N 3.16Å; G193-A195 VanDerWaalsContact C-N 3.33Å; G193-A195 PolarHBondContact O-N 3Å; A195-W197 VanDerWaalsContact C-N 3.3Å; A195-W197 PolarHBondContact O-N 3.13Å; A195-R198 PolarHBondContact O-N 3.34Å; A195-R199 WeakPolarHBondContact O-CG 3.31Å; A195-R199 PolarHBondContact O-N 3.32Å
196L81.1Confident83.5Confident46 Ų4669.2 Ų69.224%0.24134%0.335CS..Hα-helixtrans-63.7-36.6-179-67.4171.5000111.4R192 G193 R199 R200R192-L196 WeakPolarHBondContact O-CG 3Å; R192-L196 PolarHBondContact O-N 3.16Å; G193-L196 PolarHBondContact O-N 2.91Å; L196-R199 PolarHBondContact O-N 3.35Å; L196-R200 VanDerWaalsContact O-CB 3.3Å; L196-R200 WeakPolarHBondContact O-CB 3.38Å; L196-R200 PolarHBondContact O-N 3.4Å
197W83.3Confident83.5Confident130 Ų13067.7 Ų67.749%0.49233%0.325SS..Hα-helixtrans-67.1-41.3175.2179.788.9000112.8G193 L194 A195 R200 R201G193-W197 WeakPolarHBondContact O-CB 3.43Å; G193-W197 PolarHBondContact O-N 2.99Å; L194-W197 HydrophobicContact CD1-CE3 3.85Å; L194-W197 HydrophobicContact CD1-CZ3 3.94Å; A195-W197 VanDerWaalsContact C-N 3.3Å; A195-W197 PolarHBondContact O-N 3.13Å; W197-R200 PolarHBondContact O-N 3.31Å; W197-R201 VanDerWaalsContact CE2-NE 3.34Å; W197-R201 WeakPolarHBondContact O-CB 3.21Å; W197-R201 WeakPolarHBondContact O-CG 3.45Å; W197-R201 PolarHBondContact O-N 2.97Å
198R83.3Confident83.6Confident137 Ų13769.1 Ų69.152%0.51733%0.325SS..Hα-helixtrans-61.4-47.8172-74.4176.4-176.8-172.81.1111.2L194 A195 R200 R201 M202L194-R198 WeakPolarHBondContact O-CB 3.36Å; L194-R198 VanDerWaalsContact O-CG 3.31Å; L194-R198 WeakPolarHBondContact O-CG 3.25Å; L194-R198 PolarHBondContact O-N 3.37Å; A195-R198 PolarHBondContact O-N 3.34Å; R198-R200 PolarHBondContact O-N 2.97Å; R198-R201 WeakPolarHBondContact O-CB 3.27Å; R198-R201 PolarHBondContact O-N 3.44Å; R198-M202 WeakPolarHBondContact O-CG 3.43Å; R198-M202 PolarHBondContact O-N 3.03Å
199R80.8Confident83.7Confident70 Ų7068.6 Ų68.626%0.26432%0.324SS..Hα-helixtrans-57.1-47.9175.2-67.9-177.3172.2-164.7-7.4111.6E81 L85 A195 L196 R201 M202 Q203E81-R199 IonicContact OE2-CZ 3.23Å; E81-R199 IonicContact OE2-NH2 3.69Å; E81-R199 PolarHBondContact OE2-NH2 3.02Å; L85-R199 HydrophobicContact CD2-CB 3.83Å; L85-R199 HydrophobicContact CD2-CG 3.54Å; A195-R199 WeakPolarHBondContact O-CG 3.31Å; A195-R199 PolarHBondContact O-N 3.32Å; L196-R199 PolarHBondContact O-N 3.35Å; R199-R201 PolarHBondContact O-N 2.93Å; R199-M202 PolarHBondContact O-N 3.32Å; R199-Q203 VanDerWaalsContact O-CG 3.31Å; R199-Q203 WeakPolarHBondContact O-CG 3.45Å; R199-Q203 PolarHBondContact O-N 3.47Å
200R82.8Confident83.9Confident150 Ų15067.3 Ų67.357%0.56632%0.316SS*.Hα-helixtrans-64.8-34.6177.5-169.9177.7-174.4-170.92.3112.9L196 W197 R198 K204L196-R200 VanDerWaalsContact O-CB 3.3Å; L196-R200 WeakPolarHBondContact O-CB 3.38Å; L196-R200 PolarHBondContact O-N 3.4Å; W197-R200 PolarHBondContact O-N 3.31Å; R198-R200 PolarHBondContact O-N 2.97Å; R200-K204 WeakPolarHBondContact O-CB 3.24Å; R200-K204 WeakPolarHBondContact O-CG 3.44Å; R200-K204 PolarHBondContact O-N 3.46Å
201R85.3Confident84Confident148 Ų14867.9 Ų67.956%0.55831%0.308SS*.Hα-helixtrans-64-49.2172.6-83.1-178167.5-144.4-4.4111.3W197 R198 R199 Q203 K204 D205W197-R201 VanDerWaalsContact CE2-NE 3.34Å; W197-R201 WeakPolarHBondContact O-CB 3.21Å; W197-R201 WeakPolarHBondContact O-CG 3.45Å; W197-R201 PolarHBondContact O-N 2.97Å; R198-R201 WeakPolarHBondContact O-CB 3.27Å; R198-R201 PolarHBondContact O-N 3.44Å; R199-R201 PolarHBondContact O-N 2.93Å; R201-Q203 VanDerWaalsContact C-N 3.33Å; R201-Q203 PolarHBondContact O-N 3.22Å; R201-K204 PolarHBondContact O-N 2.94Å; R201-D205 WeakPolarHBondContact O-CB 3.43Å; R201-D205 PolarHBondContact O-N 2.94Å
202M81.8Confident84.3Confident38 Ų3869.5 Ų69.519%0.18731%0.31CS..Hα-helixtrans-57.5-45.2176.6-70.4160.9157.400111.6L89 R198 R199 D205 V206L89-M202 HydrophobicContact CD1-CB 4.31Å; R198-M202 WeakPolarHBondContact O-CG 3.43Å; R198-M202 PolarHBondContact O-N 3.03Å; R199-M202 PolarHBondContact O-N 3.32Å; M202-D205 PolarHBondContact O-N 2.88Å; M202-V206 WeakPolarHBondContact O-CG2 3.29Å; M202-V206 PolarHBondContact O-N 3.01Å
203Q83.1Confident84.8Confident13 Ų1365.8 Ų65.86%0.06130%0.296CS..Hα-helixtrans-63.2-42.4177.1-71.1171.3-14.400113.1L89 F144 R199 R201 Q207L89-Q203 HydrophobicContact CD1-CG 3.91Å; L89-Q203 HydrophobicContact CD2-CG 4.07Å; F144-Q203 VanDerWaalsContact O-CD 3.28Å; F144-Q203 PolarHBondContact O-NE2 2.98Å; F144-Q203 PolarHBondContact O-OE1 3.02Å; R199-Q203 VanDerWaalsContact O-CG 3.31Å; R199-Q203 WeakPolarHBondContact O-CG 3.45Å; R199-Q203 PolarHBondContact O-N 3.47Å; R201-Q203 VanDerWaalsContact C-N 3.33Å; R201-Q203 PolarHBondContact O-N 3.22Å; Q203-Q207 WeakPolarHBondContact O-CB 3.38Å; Q203-Q207 VanDerWaalsContact O-CG 3.31Å; Q203-Q207 WeakPolarHBondContact O-CG 3.44Å; Q203-Q207 PolarHBondContact O-N 2.98Å
204K84.9Confident85.3Confident115 Ų11566.9 Ų66.950%0.529%0.291SS..Hα-helixtrans-63.2-43174-79.5-175.5171.7-162.50111.9R200 R201 Q207 T208R200-K204 WeakPolarHBondContact O-CB 3.24Å; R200-K204 WeakPolarHBondContact O-CG 3.44Å; R200-K204 PolarHBondContact O-N 3.46Å; R201-K204 PolarHBondContact O-N 2.94Å; K204-Q207 PolarHBondContact O-N 3.43Å; K204-T208 WeakPolarHBondContact O-CB 3.4Å; K204-T208 PolarHBondContact O-N 2.94Å; K204-T208 PolarHBondContact O-OG1 2.99Å
205D85.3Confident85.7Confident50 Ų5066.3 Ų66.327%0.26729%0.291SS..Hα-helixtrans-61.2-47.2179.2-16821000110.8R201 M202 T208 R209R201-D205 WeakPolarHBondContact O-CB 3.43Å; R201-D205 PolarHBondContact O-N 2.94Å; M202-D205 PolarHBondContact O-N 2.88Å; D205-T208 PolarHBondContact O-N 3.27Å; D205-R209 VanDerWaalsContact CG-NH2 3.34Å; D205-R209 WeakPolarHBondContact O-CD 3.23Å; D205-R209 VanDerWaalsContact O-CG 3.23Å; D205-R209 WeakPolarHBondContact O-CG 3.22Å; D205-R209 PolarHBondContact O-N 2.92Å; D205-R209 IonicContact OD1-CZ 2.74Å; D205-R209 VanDerWaalsContact OD1-CZ 3.27Å; D205-R209 IonicContact OD1-NE 2.78Å; D205-R209 PolarHBondContact OD1-NE 2.97Å; D205-R209 IonicContact OD1-NH2 2.81Å; D205-R209 PolarHBondContact OD1-NH2 3.39Å; D205-R209 IonicContact OD2-CZ 3.77Å; D205-R209 IonicContact OD2-NE 2.65Å; D205-R209 PolarHBondContact OD2-NE 3.45Å; D205-R209 IonicContact OD2-NH2 3.1Å; D205-R209 PolarHBondContact OD2-NH2 3.29Å
206V85.6Confident86.4Confident4 Ų465.6 Ų65.62%0.02428%0.284CS..Hα-helixtrans-60.3-47.6173.4173.60000111.5L89 F93 M202 T208 R209 T210 H396L89-V206 HydrophobicContact CB-CG2 4.2Å; F93-V206 HydrophobicContact CB-CG1 4.01Å; F93-V206 HydrophobicContact CD2-CG1 4.11Å; F93-V206 HydrophobicContact CG-CG1 4.43Å; M202-V206 WeakPolarHBondContact O-CG2 3.29Å; M202-V206 PolarHBondContact O-N 3.01Å; V206-T208 VanDerWaalsContact C-N 3.34Å; V206-T208 PolarHBondContact O-N 3.1Å; V206-R209 PolarHBondContact O-N 3.33Å; V206-T210 WeakPolarHBondContact O-CB 3.45Å; V206-T210 PolarHBondContact O-N 2.94Å; V206-T210 PolarHBondContact O-OG1 3.41Å; V206-H396 HydrophobicContact CG2-CB 4.23Å
207Q85.4Confident87.1Confident56 Ų5663.4 Ų63.426%0.26227%0.273SS..Hα-helixtrans-59.9-40.5176.9-77.7175.5-1600113P140 Q203 K204 T210 M211P140-Q207 HydrophobicContact CG-CG 4.23Å; Q203-Q207 WeakPolarHBondContact O-CB 3.38Å; Q203-Q207 VanDerWaalsContact O-CG 3.31Å; Q203-Q207 WeakPolarHBondContact O-CG 3.44Å; Q203-Q207 PolarHBondContact O-N 2.98Å; K204-Q207 PolarHBondContact O-N 3.43Å; Q207-T210 PolarHBondContact O-N 3.12Å; Q207-M211 WeakPolarHBondContact O-CB 3.42Å; Q207-M211 PolarHBondContact O-N 2.94Å
208T87.9Confident87.6Confident71 Ų7160.6 Ų60.644%0.43627%0.268SS..Hα-helixtrans-64.4-42176-62.10000111.2K204 D205 V206 M211 R212K204-T208 WeakPolarHBondContact O-CB 3.4Å; K204-T208 PolarHBondContact O-N 2.94Å; K204-T208 PolarHBondContact O-OG1 2.99Å; D205-T208 PolarHBondContact O-N 3.27Å; V206-T208 VanDerWaalsContact C-N 3.34Å; V206-T208 PolarHBondContact O-N 3.1Å; T208-M211 PolarHBondContact O-N 3.05Å; T208-R212 WeakPolarHBondContact O-CG 3.26Å; T208-R212 PolarHBondContact O-N 2.84Å
209R86.5Confident88.1Confident48 Ų4855.3 Ų55.318%0.18125%0.25CC..Hα-helixtrans-67-41.9176.3-66.9159.6-169-90.2-2.7112.1F93 D205 V206 M211 R212 L213 H396F93-R209 HydrophobicContact CE2-CB 4.03Å; D205-R209 VanDerWaalsContact CG-NH2 3.34Å; D205-R209 WeakPolarHBondContact O-CD 3.23Å; D205-R209 VanDerWaalsContact O-CG 3.23Å; D205-R209 WeakPolarHBondContact O-CG 3.22Å; D205-R209 PolarHBondContact O-N 2.92Å; D205-R209 IonicContact OD1-CZ 2.74Å; D205-R209 VanDerWaalsContact OD1-CZ 3.27Å; D205-R209 IonicContact OD1-NE 2.78Å; D205-R209 PolarHBondContact OD1-NE 2.97Å; D205-R209 IonicContact OD1-NH2 2.81Å; D205-R209 PolarHBondContact OD1-NH2 3.39Å; D205-R209 IonicContact OD2-CZ 3.77Å; D205-R209 IonicContact OD2-NE 2.65Å; D205-R209 PolarHBondContact OD2-NE 3.45Å; D205-R209 IonicContact OD2-NH2 3.1Å; D205-R209 PolarHBondContact OD2-NH2 3.29Å; V206-R209 PolarHBondContact O-N 3.33Å; R209-M211 VanDerWaalsContact C-N 3.32Å; R209-M211 PolarHBondContact O-N 3.04Å; R209-R212 PolarHBondContact O-N 3.43Å; R209-L213 PolarHBondContact O-N 3.3Å; R209-H396 VanDerWaalsContact CD-O 3.32Å; R209-H396 WeakPolarHBondContact CD-O 3.47Å; R209-H396 PolarHBondContact NH1-O 2.78Å
210T87.6Confident88.8Confident1 Ų152 Ų521%0.00624%0.237CC..Hα-helixtrans-56.1-47.2172.7-62.90000111.3F93 Y96 P140 V206 Q207 L213 Q214F93-T210 WeakPolarHBondContact CD2-OG1 3.43Å; Y96-T210 HydrophobicContact CD1-CG2 3.22Å; Y96-T210 HydrophobicContact CE1-CG2 3.22Å; Y96-T210 HydrophobicContact CG-CG2 4.04Å; P140-T210 HydrophobicContact CG-CG2 4.5Å; V206-T210 WeakPolarHBondContact O-CB 3.45Å; V206-T210 PolarHBondContact O-N 2.94Å; V206-T210 PolarHBondContact O-OG1 3.41Å; Q207-T210 PolarHBondContact O-N 3.12Å; T210-L213 PolarHBondContact O-N 3.18Å; T210-Q214 WeakPolarHBondContact O-CB 3.1Å; T210-Q214 PolarHBondContact O-N 3.47Å
211M87.5Confident89.5Confident74 Ų7448.5 Ų48.537%0.36523%0.226SC..Hα-helixtrans-63.1-42.8177.2-86-74.5147.500112.7L139 Q207 T208 R209 L213 Q214 T215L139-M211 HydrophobicContact CD1-CE 3.66Å; L139-M211 HydrophobicContact CD2-CE 3.64Å; L139-M211 HydrophobicContact CD2-CG 4.33Å; L139-M211 HydrophobicContact CG-CE 3.72Å; Q207-M211 WeakPolarHBondContact O-CB 3.42Å; Q207-M211 PolarHBondContact O-N 2.94Å; T208-M211 PolarHBondContact O-N 3.05Å; R209-M211 VanDerWaalsContact C-N 3.32Å; R209-M211 PolarHBondContact O-N 3.04Å; M211-L213 VanDerWaalsContact C-N 3.34Å; M211-L213 PolarHBondContact O-N 3.46Å; M211-Q214 VanDerWaalsContact CE-OE1 3.28Å; M211-Q214 PolarHBondContact O-N 3.32Å; M211-T215 WeakPolarHBondContact O-CG2 3.37Å; M211-T215 PolarHBondContact O-N 3.13Å; M211-T215 PolarHBondContact O-OG1 3.09Å
212R89.8Confident90Very high105 Ų10543.9 Ų43.940%0.39622%0.215SC..Hα-helixtrans-63.8-36.8175.6-72.9172.9177.6-162.5-7.7113T208 R209 T215 L216 E404T208-R212 WeakPolarHBondContact O-CG 3.26Å; T208-R212 PolarHBondContact O-N 2.84Å; R209-R212 PolarHBondContact O-N 3.43Å; R212-T215 WeakPolarHBondContact CA-OG1 3.4Å; R212-T215 PolarHBondContact O-OG1 3.27Å; R212-T215 VanDerWaalsContact O-OG1 3.05Å; R212-L216 VanDerWaalsContact O-CB 3.25Å; R212-L216 WeakPolarHBondContact O-CB 3.44Å; R212-L216 PolarHBondContact O-N 2.88Å; R212-E404 WeakPolarHBondContact CD-OE2 3.27Å; R212-E404 IonicContact CZ-OE1 2.76Å; R212-E404 IonicContact CZ-OE2 2.75Å; R212-E404 IonicContact NE-OE2 3.32Å; R212-E404 IonicContact NH1-OE1 2.81Å; R212-E404 PolarHBondContact NH1-OE1 3.16Å; R212-E404 IonicContact NH1-OE2 2.69Å; R212-E404 PolarHBondContact NH1-OE2 2.82Å; R212-E404 IonicContact NH2-OE1 3.89Å
213L91.6Very high90.7Very high4 Ų442.1 Ų42.12%0.02121%0.206CC..Hα-helixtrans-69.4-43.3174.3-179.256.5000111.1S97 R209 T210 M211 T215 L216 V217 L361 L365 T403S97-L213 VanDerWaalsContact CB-CD2 3.44Å; S97-L213 WeakPolarHBondContact OG-CD2 3.45Å; R209-L213 PolarHBondContact O-N 3.3Å; T210-L213 PolarHBondContact O-N 3.18Å; M211-L213 VanDerWaalsContact C-N 3.34Å; M211-L213 PolarHBondContact O-N 3.46Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-T215 PolarHBondContact O-N 3.39Å; L213-L216 HydrophobicContact CD1-CD2 3.93Å; L213-L216 WeakPolarHBondContact O-CB 3.41Å; L213-L216 PolarHBondContact O-N 2.93Å; L213-L216 VanDerWaalsContact O-N 3.15Å; L213-V217 HydrophobicContact CD1-CG2 4.18Å; L213-V217 WeakPolarHBondContact O-CG2 3.37Å; L213-V217 PolarHBondContact O-N 3.42Å; L213-L361 HydrophobicContact CD1-CD2 3.75Å; L213-L365 HydrophobicContact CD2-CD1 4.1Å; L213-T403 HydrophobicContact CD1-CG2 4.36Å
214Q92.2Very high91.3Very high61 Ų6142.2 Ų42.229%0.28521%0.207SC..Hα-helixtrans-59.2-43.1175.9-175.3-179.410.900111.9Y96 T210 M211 N218Y96-Q214 PolarHBondContact OH-OE1 2.99Å; T210-Q214 WeakPolarHBondContact O-CB 3.1Å; T210-Q214 PolarHBondContact O-N 3.47Å; M211-Q214 VanDerWaalsContact CE-OE1 3.28Å; M211-Q214 PolarHBondContact O-N 3.32Å; Q214-N218 WeakPolarHBondContact O-CB 3.36Å; Q214-N218 PolarHBondContact O-N 3.05Å
215T93.7Very high91.8Very high56 Ų5637.8 Ų37.834%0.34420%0.195SC..Hα-helixtrans-70.8-33.1175.256.60000112.4M211 R212 L213 N219 H407M211-T215 WeakPolarHBondContact O-CG2 3.37Å; M211-T215 PolarHBondContact O-N 3.13Å; M211-T215 PolarHBondContact O-OG1 3.09Å; R212-T215 WeakPolarHBondContact CA-OG1 3.4Å; R212-T215 PolarHBondContact O-OG1 3.27Å; R212-T215 VanDerWaalsContact O-OG1 3.05Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-T215 PolarHBondContact O-N 3.39Å; T215-N219 WeakPolarHBondContact O-CB 3.43Å; T215-N219 PolarHBondContact O-N 2.83Å; T215-N219 PolarHBondContact O-ND2 2.9Å; T215-N219 PolarHBondContact O-OD1 3.45Å; T215-H407 PolarHBondContact OG1-CE1 2.99Å
216L95.1Very high92.3Very high0 Ų036.3 Ų36.30%019%0.187CC..Hα-helixtrans-60.1-49.9171.3165.461000112.2R212 L213 N218 N219 S220 F358 T403 L406 H407 L410R212-L216 VanDerWaalsContact O-CB 3.25Å; R212-L216 WeakPolarHBondContact O-CB 3.44Å; R212-L216 PolarHBondContact O-N 2.88Å; L213-L216 HydrophobicContact CD1-CD2 3.93Å; L213-L216 WeakPolarHBondContact O-CB 3.41Å; L213-L216 PolarHBondContact O-N 2.93Å; L213-L216 VanDerWaalsContact O-N 3.15Å; L216-N218 PolarHBondContact O-N 3.32Å; L216-N219 PolarHBondContact O-N 3.03Å; L216-S220 PolarHBondContact O-N 3.47Å; L216-F358 HydrophobicContact CD1-CZ 4.38Å; L216-F358 HydrophobicContact CG-CE1 4.21Å; L216-F358 HydrophobicContact CG-CZ 4.27Å; L216-T403 HydrophobicContact CD2-CG2 4.12Å; L216-L406 HydrophobicContact CD1-CB 4.49Å; L216-L406 HydrophobicContact CD1-CD2 4.15Å; L216-L406 HydrophobicContact CD1-CG 3.82Å; L216-L406 HydrophobicContact CD2-CD2 4.16Å; L216-L406 HydrophobicContact CD2-CG 4.44Å; L216-H407 HydrophobicContact CB-CB 4.29Å; L216-H407 HydrophobicContact CD1-CB 4.33Å; L216-L410 HydrophobicContact CD1-CD1 3.73Å; L216-L410 HydrophobicContact CD1-CG 4.35Å
217V94.7Very high92.9Very high0 Ų036.1 Ų36.10%019%0.186CC..Hα-helixtrans-62.6-44.7178.4-176.70000110.3I101 Q104 V106 L213 N219 S220 K221 F358I101-V217 HydrophobicContact CG1-CG2 3.92Å; Q104-V217 HydrophobicContact CB-CG1 3.74Å; Q104-V217 HydrophobicContact CG-CG1 4.18Å; V106-V217 HydrophobicContact CB-CG1 4.28Å; V106-V217 HydrophobicContact CG2-CG1 3.54Å; L213-V217 HydrophobicContact CD1-CG2 4.18Å; L213-V217 WeakPolarHBondContact O-CG2 3.37Å; L213-V217 PolarHBondContact O-N 3.42Å; V217-N219 PolarHBondContact O-N 2.97Å; V217-S220 WeakPolarHBondContact O-CB 3.29Å; V217-S220 PolarHBondContact O-N 3.43Å; V217-K221 PolarHBondContact O-N 3.07Å; V217-F358 HydrophobicContact CB-CE1 4.48Å; V217-F358 HydrophobicContact CG2-CD1 4.14Å; V217-F358 HydrophobicContact CG2-CE1 3.76Å
218N94.4Very high93.4Very high72 Ų7238.6 Ų38.639%0.38519%0.192SC..Hα-helixtrans-64.4-38.7177.1178.775.5000112.7Q214 L216 S220 K221 T222Q214-N218 WeakPolarHBondContact O-CB 3.36Å; Q214-N218 PolarHBondContact O-N 3.05Å; L216-N218 PolarHBondContact O-N 3.32Å; N218-S220 VanDerWaalsContact C-N 3.31Å; N218-S220 PolarHBondContact O-N 2.9Å; N218-K221 PolarHBondContact O-N 3.17Å; N218-T222 WeakPolarHBondContact O-CB 3.4Å; N218-T222 WeakPolarHBondContact O-CG2 3.26Å; N218-T222 PolarHBondContact O-N 2.94Å; N218-T222 PolarHBondContact O-OG1 2.97Å
219N94.9Very high93.7Very high25 Ų2540.6 Ų40.613%0.13420%0.195CC..Hα-helixtrans-64.1-37.2175.2-73.5-1.4000111.2T215 L216 V217 T222 L223 L414T215-N219 WeakPolarHBondContact O-CB 3.43Å; T215-N219 PolarHBondContact O-N 2.83Å; T215-N219 PolarHBondContact O-ND2 2.9Å; T215-N219 PolarHBondContact O-OD1 3.45Å; L216-N219 PolarHBondContact O-N 3.03Å; V217-N219 PolarHBondContact O-N 2.97Å; N219-T222 WeakPolarHBondContact CA-OG1 3.42Å; N219-T222 PolarHBondContact O-OG1 3.43Å; N219-L223 WeakPolarHBondContact O-CB 3.39Å; N219-L223 PolarHBondContact O-N 3.37Å; N219-L414 HydrophobicContact CB-CD2 4.31Å
220S95.6Very high94.1Very high0 Ų038.3 Ų38.30%019%0.186CC..Hα-helixtrans-63.6-50.5171.5-173.60000112L216 V217 N218 T222 L223 T224 F358L216-S220 PolarHBondContact O-N 3.47Å; V217-S220 WeakPolarHBondContact O-CB 3.29Å; V217-S220 PolarHBondContact O-N 3.43Å; N218-S220 VanDerWaalsContact C-N 3.31Å; N218-S220 PolarHBondContact O-N 2.9Å; S220-T222 VanDerWaalsContact C-N 3.34Å; S220-T222 PolarHBondContact O-N 3.41Å; S220-L223 PolarHBondContact O-N 3.42Å; S220-T224 WeakPolarHBondContact O-CB 3.38Å; S220-T224 PolarHBondContact O-N 3.29Å; S220-T224 PolarHBondContact O-OG1 3.37Å; S220-F358 WeakPolarHBondContact OG-CE2 3.5Å
221K95.6Very high94.3Very high77 Ų7738.9 Ų38.934%0.33519%0.189SC..Hα-helixtrans-57.4-46.6178.7-168.2-179.2-165.8150.40111.7Q104 D105 V106 V217 N218 G225Q104-K221 VanDerWaalsContact C-NZ 3.29Å; Q104-K221 WeakPolarHBondContact O-CD 3.48Å; Q104-K221 WeakPolarHBondContact O-CE 3.27Å; Q104-K221 PolarHBondContact O-NZ 2.94Å; D105-K221 IonicContact OD2-NZ 3.75Å; D105-K221 PolarHBondContact OD2-NZ 3.34Å; V106-K221 HydrophobicContact CG2-CB 3.97Å; V106-K221 HydrophobicContact CG2-CG 4.49Å; V217-K221 PolarHBondContact O-N 3.07Å; N218-K221 PolarHBondContact O-N 3.17Å; K221-G225 PolarHBondContact O-N 2.82Å
222T96Very high94.6Very high52 Ų5242.3 Ų42.332%0.31920%0.198SC..Hα-helixtrans-69.1-42-179.750.50000112.1N218 N219 S220 T224 G225 L226 L414N218-T222 WeakPolarHBondContact O-CB 3.4Å; N218-T222 WeakPolarHBondContact O-CG2 3.26Å; N218-T222 PolarHBondContact O-N 2.94Å; N218-T222 PolarHBondContact O-OG1 2.97Å; N219-T222 WeakPolarHBondContact CA-OG1 3.42Å; N219-T222 PolarHBondContact O-OG1 3.43Å; S220-T222 VanDerWaalsContact C-N 3.34Å; S220-T222 PolarHBondContact O-N 3.41Å; T222-T224 PolarHBondContact O-N 2.85Å; T222-G225 PolarHBondContact O-N 2.93Å; T222-L226 WeakPolarHBondContact O-CB 3.45Å; T222-L226 PolarHBondContact O-N 3.34Å; T222-L414 WeakPolarHBondContact OG1-CD2 3.29Å
223L96.8Very high94.5Very high0 Ų038.1 Ų38.10%018%0.183CC..Hα-helixtrans-59.6-47.1173.7175.360.6000111.1N219 S220 G225 L226 A227 A281 W350 L410 C413 L414 V417N219-L223 WeakPolarHBondContact O-CB 3.39Å; N219-L223 PolarHBondContact O-N 3.37Å; S220-L223 PolarHBondContact O-N 3.42Å; L223-G225 PolarHBondContact O-N 3.45Å; L223-L226 PolarHBondContact O-N 3.16Å; L223-A227 VanDerWaalsContact O-CB 3.24Å; L223-A227 WeakPolarHBondContact O-CB 3.47Å; L223-A227 PolarHBondContact O-N 3.14Å; L223-A281 HydrophobicContact CD2-CB 3.96Å; L223-W350 HydrophobicContact CD2-CZ2 4.11Å; L223-L410 HydrophobicContact CD2-CD2 4.2Å; L223-C413 HydrophobicContact CD1-CB 4.33Å; L223-C413 HydrophobicContact CD2-CB 3.92Å; L223-L414 HydrophobicContact CB-CB 4.5Å; L223-L414 HydrophobicContact CB-CD1 4.27Å; L223-V417 HydrophobicContact CD1-CB 4.49Å; L223-V417 HydrophobicContact CD1-CG2 4.25Å
224T96.1Very high94.4Very high15 Ų1537.9 Ų37.99%0.09218%0.182CC..Hα-helixtrans-61.1-44.9176.3-70.10000112.1S220 T222 R228 F347 W350 L351S220-T224 WeakPolarHBondContact O-CB 3.38Å; S220-T224 PolarHBondContact O-N 3.29Å; S220-T224 PolarHBondContact O-OG1 3.37Å; T222-T224 PolarHBondContact O-N 2.85Å; T224-R228 WeakPolarHBondContact O-CB 3.24Å; T224-R228 PolarHBondContact O-N 2.91Å; T224-F347 HydrophobicContact CG2-CE2 4.27Å; T224-F347 HydrophobicContact CG2-CZ 4.16Å; T224-W350 PolarHBondContact OG1-NE1 3.2Å; T224-L351 HydrophobicContact CG2-CD2 3.46Å; T224-L351 VanDerWaalsContact CG2-CD2 3.46Å
225G96.1Very high94.3Very high23 Ų2339 Ų3924%0.23719%0.187CC..Hα-helixtrans-65.4-36.4176.800000113.4K221 T222 L223 K229K221-G225 PolarHBondContact O-N 2.82Å; T222-G225 PolarHBondContact O-N 2.93Å; L223-G225 PolarHBondContact O-N 3.45Å; G225-K229 WeakPolarHBondContact O-CG 3.46Å; G225-K229 PolarHBondContact O-N 3.09Å; G225-K229 VanDerWaalsContact O-N 3.16Å
226L96.3Very high93.9Very high19 Ų1941.3 Ų41.310%0.09920%0.195CC..Hα-helixtrans-74.5-45.7178.2-174.778.3000111.8T222 L223 R228 K229 A230 L414 V417 Q418 Y421T222-L226 WeakPolarHBondContact O-CB 3.45Å; T222-L226 PolarHBondContact O-N 3.34Å; L223-L226 PolarHBondContact O-N 3.16Å; L226-R228 VanDerWaalsContact C-N 3.26Å; L226-R228 PolarHBondContact O-N 3.24Å; L226-K229 CarbonylContact O-C 3.48Å; L226-K229 WeakPolarHBondContact O-CA 3.44Å; L226-K229 WeakPolarHBondContact O-CB 3.36Å; L226-K229 PolarHBondContact O-N 3.21Å; L226-A230 PolarHBondContact O-N 2.83Å; L226-L414 HydrophobicContact CD2-CD1 4.02Å; L226-V417 HydrophobicContact CD2-CB 3.84Å; L226-V417 HydrophobicContact CD2-CG1 3.63Å; L226-V417 HydrophobicContact CG-CG1 3.97Å; L226-Q418 HydrophobicContact CD2-CB 3.83Å; L226-Y421 HydrophobicContact CD1-CD1 3.76Å; L226-Y421 HydrophobicContact CD1-CE1 4.34Å; L226-Y421 HydrophobicContact CD1-CG 4.06Å
227A96.3Very high93.2Very high0 Ų042 Ų420%020%0.199CC..Hα-helixtrans-57.4-40.6173.200000111.3L223 K229 A230 L231 L274 L278 F347L223-A227 VanDerWaalsContact O-CB 3.24Å; L223-A227 WeakPolarHBondContact O-CB 3.47Å; L223-A227 PolarHBondContact O-N 3.14Å; A227-K229 PolarHBondContact O-N 2.97Å; A227-A230 PolarHBondContact O-N 2.93Å; A227-L231 WeakPolarHBondContact O-CB 3.47Å; A227-L231 WeakPolarHBondContact O-CG 3.48Å; A227-L231 PolarHBondContact O-N 3.09Å; A227-L274 HydrophobicContact CB-CD1 3.77Å; A227-L278 HydrophobicContact CB-CD2 3.97Å; A227-F347 HydrophobicContact CB-CD2 3.93Å; A227-F347 HydrophobicContact CB-CE2 3.8Å
228R96.3Very high92.6Very high108 Ų10843.2 Ų43.241%0.40820%0.204SC..Hα-helixtrans-62.2-38.4172.5-168.5-177.8-65.3145.6-1.1112.7T224 L226 R232 F347T224-R228 WeakPolarHBondContact O-CB 3.24Å; T224-R228 PolarHBondContact O-N 2.91Å; L226-R228 VanDerWaalsContact C-N 3.26Å; L226-R228 PolarHBondContact O-N 3.24Å; R228-R232 WeakPolarHBondContact O-CG 3.33Å; R228-R232 PolarHBondContact O-N 3.28Å; R228-F347 HydrophobicContact CB-CZ 3.97Å
229K95.1Very high91.8Very high112 Ų11242 Ų4249%0.48720%0.2SC..Hα-helixtrans-68.5-40.7173.7-71.2166.4-177174.30111.9G225 L226 A227 R232 L233 Y421G225-K229 WeakPolarHBondContact O-CG 3.46Å; G225-K229 PolarHBondContact O-N 3.09Å; G225-K229 VanDerWaalsContact O-N 3.16Å; L226-K229 CarbonylContact O-C 3.48Å; L226-K229 WeakPolarHBondContact O-CA 3.44Å; L226-K229 WeakPolarHBondContact O-CB 3.36Å; L226-K229 PolarHBondContact O-N 3.21Å; A227-K229 PolarHBondContact O-N 2.97Å; K229-R232 PolarHBondContact O-N 3.35Å; K229-L233 PolarHBondContact O-N 3Å; K229-Y421 HydrophobicContact CB-CE2 3.92Å
230A93.9Very high90.7Very high0 Ų044.6 Ų44.60%021%0.212CC..Hα-helixtrans-64.1-45.1176.200000111.7L226 A227 R232 L233 V234 L270 L274 Y421L226-A230 PolarHBondContact O-N 2.83Å; A227-A230 PolarHBondContact O-N 2.93Å; A230-R232 VanDerWaalsContact C-N 3.3Å; A230-R232 PolarHBondContact O-N 3.46Å; A230-L233 WeakPolarHBondContact O-CB 3.44Å; A230-L233 PolarHBondContact O-N 2.68Å; A230-V234 WeakPolarHBondContact O-CG2 3.35Å; A230-V234 PolarHBondContact O-N 3.09Å; A230-L270 HydrophobicContact CB-CD1 4.1Å; A230-L270 HydrophobicContact CB-CD2 4.15Å; A230-L270 HydrophobicContact CB-CG 4.28Å; A230-L274 HydrophobicContact CB-CD1 4.37Å; A230-L274 HydrophobicContact CB-CD2 4.35Å; A230-Y421 HydrophobicContact CB-CD2 4.12Å
231L93.4Very high89.3Confident13 Ų1346.2 Ų46.27%0.06822%0.224CC..Hα-helixtrans-59.5-38.1173.8-75.6171.5000112.8A227 Q235 L274 L340 L343 K344 F347A227-L231 WeakPolarHBondContact O-CB 3.47Å; A227-L231 WeakPolarHBondContact O-CG 3.48Å; A227-L231 PolarHBondContact O-N 3.09Å; L231-Q235 WeakPolarHBondContact O-CB 3.43Å; L231-Q235 PolarHBondContact O-N 3.21Å; L231-L274 HydrophobicContact CD2-CD2 3.71Å; L231-L274 HydrophobicContact CG-CD2 3.88Å; L231-L340 HydrophobicContact CD2-CD1 4.11Å; L231-L343 HydrophobicContact CD2-CB 3.78Å; L231-K344 HydrophobicContact CD2-CG 4.3Å; L231-F347 HydrophobicContact CD1-CB 3.7Å; L231-F347 HydrophobicContact CD1-CD1 3.76Å; L231-F347 HydrophobicContact CD1-CD2 4.08Å; L231-F347 HydrophobicContact CD1-CE1 4.42Å; L231-F347 HydrophobicContact CD1-CG 3.57Å
232R91.9Very high87.9Confident146 Ų14648.2 Ų48.255%0.55123%0.229SC*.Hα-helixtrans-65.3-46174.1-74.6175.2-173.2-179.20.7111.5R228 K229 A230 V234 Q235 E236R228-R232 WeakPolarHBondContact O-CG 3.33Å; R228-R232 PolarHBondContact O-N 3.28Å; K229-R232 PolarHBondContact O-N 3.35Å; A230-R232 VanDerWaalsContact C-N 3.3Å; A230-R232 PolarHBondContact O-N 3.46Å; R232-V234 VanDerWaalsContact C-N 3.33Å; R232-V234 PolarHBondContact O-N 2.97Å; R232-Q235 CarbonylContact O-C 3.58Å; R232-Q235 PolarHBondContact O-N 3.01Å; R232-Q235 VanDerWaalsContact O-N 3.08Å; R232-E236 WeakPolarHBondContact O-CB 3.21Å; R232-E236 VanDerWaalsContact O-CG 3.28Å; R232-E236 WeakPolarHBondContact O-CG 3.25Å; R232-E236 PolarHBondContact O-N 3.31Å
233L89.5Confident86.1Confident17 Ų1747.7 Ų47.79%0.08924%0.235CC..Hα-helixtrans-58.1-44.3175.9-16869.8000112K229 A230 Q235 E236 T237 L267 L270 Y421 H424 E428K229-L233 PolarHBondContact O-N 3Å; A230-L233 WeakPolarHBondContact O-CB 3.44Å; A230-L233 PolarHBondContact O-N 2.68Å; L233-Q235 PolarHBondContact O-N 3.47Å; L233-E236 PolarHBondContact O-N 2.9Å; L233-T237 WeakPolarHBondContact O-CG2 3.3Å; L233-T237 PolarHBondContact O-N 2.81Å; L233-T237 PolarHBondContact O-OG1 3.08Å; L233-L267 HydrophobicContact CD2-CD1 4.31Å; L233-L267 HydrophobicContact CG-CD1 4.11Å; L233-L270 HydrophobicContact CD2-CD2 3.98Å; L233-Y421 HydrophobicContact CD2-CD2 4.31Å; L233-Y421 HydrophobicContact CD2-CE2 4.18Å; L233-H424 HydrophobicContact CD2-CB 4.46Å; L233-E428 WeakPolarHBondContact CD1-OE2 3.25Å
234V88.9Confident84.1Confident0 Ų055.3 Ų55.30%027%0.268CS..Hα-helixtrans-63.1-40.3174.5177.30000111.6A230 R232 T237 E238 L267 L270 R271 L340A230-V234 WeakPolarHBondContact O-CG2 3.35Å; A230-V234 PolarHBondContact O-N 3.09Å; R232-V234 VanDerWaalsContact C-N 3.33Å; R232-V234 PolarHBondContact O-N 2.97Å; V234-T237 PolarHBondContact O-OG1 3.22Å; V234-T237 VanDerWaalsContact O-OG1 3.05Å; V234-E238 WeakPolarHBondContact O-CB 3.38Å; V234-E238 PolarHBondContact O-N 3.03Å; V234-E238 VanDerWaalsContact O-N 3.12Å; V234-L267 HydrophobicContact CG2-CB 4.48Å; V234-L267 HydrophobicContact CG2-CD1 4.13Å; V234-L270 HydrophobicContact CG2-CD2 3.93Å; V234-L270 HydrophobicContact CG2-CG 4.41Å; V234-R271 HydrophobicContact CG1-CG 4.26Å; V234-R271 VanDerWaalsContact CG1-CZ 3.46Å; V234-R271 VanDerWaalsContact CG1-NH2 3.3Å; V234-R271 HydrophobicContact CG2-CG 4.31Å; V234-L340 HydrophobicContact CB-CD1 4.42Å; V234-L340 HydrophobicContact CG1-CD1 4.05Å
235Q89.5Confident81.9Confident83 Ų8357.8 Ų57.839%0.38828%0.283SS..Hα-helixtrans-68.6-43.9176.3-177.3172.1-34.800112.5L231 R232 L233 E238 V239 L340L231-Q235 WeakPolarHBondContact O-CB 3.43Å; L231-Q235 PolarHBondContact O-N 3.21Å; R232-Q235 CarbonylContact O-C 3.58Å; R232-Q235 PolarHBondContact O-N 3.01Å; R232-Q235 VanDerWaalsContact O-N 3.08Å; L233-Q235 PolarHBondContact O-N 3.47Å; Q235-E238 PolarHBondContact O-N 3.44Å; Q235-V239 HydrophobicContact CG-CG2 4.42Å; Q235-V239 WeakPolarHBondContact O-CB 3.34Å; Q235-V239 VanDerWaalsContact O-CG2 3.25Å; Q235-V239 WeakPolarHBondContact O-CG2 3.49Å; Q235-V239 PolarHBondContact O-N 3.18Å; Q235-L340 HydrophobicContact CB-CD2 3.78Å; Q235-L340 HydrophobicContact CG-CD2 3.97Å
236E85.1Confident79.7Confident106 Ų10664.6 Ų64.650%0.49531%0.313SS..Hα-helixtrans-62.6-46.4-179.9-74.5162.9-155.600110.5R232 L233 E238 V239 I240R232-E236 WeakPolarHBondContact O-CB 3.21Å; R232-E236 VanDerWaalsContact O-CG 3.28Å; R232-E236 WeakPolarHBondContact O-CG 3.25Å; R232-E236 PolarHBondContact O-N 3.31Å; L233-E236 PolarHBondContact O-N 2.9Å; E236-E238 PolarHBondContact O-N 3.17Å; E236-V239 PolarHBondContact O-N 3.06Å; E236-I240 WeakPolarHBondContact O-CB 3.45Å; E236-I240 WeakPolarHBondContact O-CD1 3.47Å; E236-I240 WeakPolarHBondContact O-CG1 3.23Å; E236-I240 PolarHBondContact O-N 3.36Å
237T80.6Confident77.1Confident14 Ų1470.3 Ų70.39%0.08635%0.349CS..Hα-helixtrans-63-38.2173.649.20000113.2L233 V234 V239 S241 Q266 L267 E428L233-T237 WeakPolarHBondContact O-CG2 3.3Å; L233-T237 PolarHBondContact O-N 2.81Å; L233-T237 PolarHBondContact O-OG1 3.08Å; V234-T237 PolarHBondContact O-OG1 3.22Å; V234-T237 VanDerWaalsContact O-OG1 3.05Å; T237-V239 VanDerWaalsContact C-N 3.33Å; T237-V239 PolarHBondContact O-N 3.42Å; T237-S241 VanDerWaalsContact O-CB 3.26Å; T237-S241 WeakPolarHBondContact O-CB 3.36Å; T237-S241 PolarHBondContact O-N 2.92Å; T237-S241 PolarHBondContact O-OG 3.42Å; T237-Q266 PolarHBondContact O-OE1 3.17Å; T237-L267 HydrophobicContact CG2-CD1 3.99Å; T237-E428 WeakPolarHBondContact CG2-OE1 3.35Å; T237-E428 WeakPolarHBondContact CG2-OE2 3.38Å
238E82.8Confident74.4Confident26 Ų2674.3 Ų74.312%0.12138%0.376CS..Hα-helixtrans-66.5-30.7173.2-113.8-171.782.200113.6V234 Q235 E236 R242 R271V234-E238 WeakPolarHBondContact O-CB 3.38Å; V234-E238 PolarHBondContact O-N 3.03Å; V234-E238 VanDerWaalsContact O-N 3.12Å; Q235-E238 PolarHBondContact O-N 3.44Å; E236-E238 PolarHBondContact O-N 3.17Å; E238-R242 WeakPolarHBondContact O-CB 3.28Å; E238-R242 VanDerWaalsContact O-CG 3.31Å; E238-R242 WeakPolarHBondContact O-CG 3.37Å; E238-R242 PolarHBondContact O-N 3.11Å; E238-R242 PolarHBondContact O-NH1 2.92Å; E238-R242 VanDerWaalsContact O-NH1 3.12Å; E238-R242 IonicContact OE1-CZ 2.72Å; E238-R242 IonicContact OE1-NH1 2.94Å; E238-R242 PolarHBondContact OE1-NH1 3.12Å; E238-R242 IonicContact OE1-NH2 3.83Å; E238-R242 PolarHBondContact OE1-NH2 3.43Å; E238-R271 IonicContact OE2-CZ 2.89Å; E238-R271 IonicContact OE2-NH1 2.71Å; E238-R271 IonicContact OE2-NH2 3.94Å; E238-R271 PolarHBondContact OE2-NH2 2.99Å
239V77.1Confident71.9Confident47 Ų4774.5 Ų74.529%0.28540%0.401SS..Hα-helixtrans-78.2-46177.5166.60000110.5Q235 E236 T237 R242 G243 F244 T245Q235-V239 HydrophobicContact CG-CG2 4.42Å; Q235-V239 WeakPolarHBondContact O-CB 3.34Å; Q235-V239 VanDerWaalsContact O-CG2 3.25Å; Q235-V239 WeakPolarHBondContact O-CG2 3.49Å; Q235-V239 PolarHBondContact O-N 3.18Å; E236-V239 PolarHBondContact O-N 3.06Å; T237-V239 VanDerWaalsContact C-N 3.33Å; T237-V239 PolarHBondContact O-N 3.42Å; V239-R242 PolarHBondContact O-N 3.39Å; V239-G243 PolarHBondContact O-N 3.01Å; V239-F244 HydrophobicContact CG1-CB 3.94Å; V239-F244 PolarHBondContact O-N 2.93Å; V239-F244 VanDerWaalsContact O-N 3.16Å; V239-T245 HydrophobicContact CG1-CG2 3.62Å
240I71.9Confident69.4Low78 Ų7872.9 Ų72.940%0.441%0.409SS..Hα-helixtrans-58.7-49.2175.5-68.7161.4000110.2E236 R242 G243 T245E236-I240 WeakPolarHBondContact O-CB 3.45Å; E236-I240 WeakPolarHBondContact O-CD1 3.47Å; E236-I240 WeakPolarHBondContact O-CG1 3.23Å; E236-I240 PolarHBondContact O-N 3.36Å; I240-R242 VanDerWaalsContact C-N 3.31Å; I240-R242 PolarHBondContact O-N 2.91Å; I240-G243 WeakPolarHBondContact O-CA 3.42Å; I240-G243 PolarHBondContact O-N 2.92Å; I240-T245 WeakPolarHBondContact CA-OG1 3.48Å; I240-T245 VanDerWaalsContact CG1-OG1 3.26Å; I240-T245 WeakPolarHBondContact CG1-OG1 3.2Å
241S66.3Low66.9Low35 Ų3576.9 Ų76.925%0.24544%0.437CS..Hα-helixtrans-75.1-15.6-176.664.30000115T237 G243 Q266T237-S241 VanDerWaalsContact O-CB 3.26Å; T237-S241 WeakPolarHBondContact O-CB 3.36Å; T237-S241 PolarHBondContact O-N 2.92Å; T237-S241 PolarHBondContact O-OG 3.42Å; S241-G243 VanDerWaalsContact C-N 3.32Å; S241-Q266 PolarHBondContact OG-NE2 3.33Å; S241-Q266 PolarHBondContact OG-OE1 2.95Å
242R66.2Low64.4Low118 Ų11880.5 Ų80.545%0.44546%0.463SS..THydrogen-bonded Turntrans-82.8-7.1164.4-75.2-170.8-172.489.7-6.8113.4E238 V239 I240 F244E238-R242 WeakPolarHBondContact O-CB 3.28Å; E238-R242 VanDerWaalsContact O-CG 3.31Å; E238-R242 WeakPolarHBondContact O-CG 3.37Å; E238-R242 PolarHBondContact O-N 3.11Å; E238-R242 PolarHBondContact O-NH1 2.92Å; E238-R242 VanDerWaalsContact O-NH1 3.12Å; E238-R242 IonicContact OE1-CZ 2.72Å; E238-R242 IonicContact OE1-NH1 2.94Å; E238-R242 PolarHBondContact OE1-NH1 3.12Å; E238-R242 IonicContact OE1-NH2 3.83Å; E238-R242 PolarHBondContact OE1-NH2 3.43Å; V239-R242 PolarHBondContact O-N 3.39Å; I240-R242 VanDerWaalsContact C-N 3.31Å; I240-R242 PolarHBondContact O-N 2.91Å; R242-F244 HydrophobicContact CB-CD2 3.52Å; R242-F244 HydrophobicContact CB-CE2 3.63Å; R242-F244 HydrophobicContact CG-CE2 4.35Å
243G58.4Low61.8Low42 Ų4283.3 Ų83.343%0.43348%0.48SS..THydrogen-bonded Turntrans83.311.8177.900000114.7V239 I240 S241 T245V239-G243 PolarHBondContact O-N 3.01Å; I240-G243 WeakPolarHBondContact O-CA 3.42Å; I240-G243 PolarHBondContact O-N 2.92Å; S241-G243 VanDerWaalsContact C-N 3.32Å; G243-T245 VanDerWaalsContact C-N 3.27Å; G243-T245 PolarHBondContact O-N 2.96Å
244F55.1Low59.5Low160 Ų16087.7 Ų87.770%0.70251%0.512SS*.  trans-76.8-9.8-178.1-69.9-62.3000114V239 R242V239-F244 HydrophobicContact CG1-CB 3.94Å; V239-F244 PolarHBondContact O-N 2.93Å; V239-F244 VanDerWaalsContact O-N 3.16Å; R242-F244 HydrophobicContact CB-CD2 3.52Å; R242-F244 HydrophobicContact CB-CE2 3.63Å; R242-F244 HydrophobicContact CG-CE2 4.35Å
245T49.6Very low57.4Low66 Ų6695.2 Ų95.241%0.40554%0.54SS..  trans-12782.4177.150.30000111.7V239 I240 G243 V247V239-T245 HydrophobicContact CG1-CG2 3.62Å; I240-T245 WeakPolarHBondContact CA-OG1 3.48Å; I240-T245 VanDerWaalsContact CG1-OG1 3.26Å; I240-T245 WeakPolarHBondContact CG1-OG1 3.2Å; G243-T245 VanDerWaalsContact C-N 3.27Å; G243-T245 PolarHBondContact O-N 2.96Å; T245-V247 PolarHBondContact O-N 3.27Å
246L49.3Very low55Low167 Ų16795.5 Ų95.587%0.87456%0.557SS**THydrogen-bonded Turntrans-76.837.9177.5-78.2169.5000114.2
247V41.5Very low52.5Low139 Ų13993 Ų9384%0.84256%0.559SS**THydrogen-bonded Turntrans-114.3-8.9-173.9-170.80000113.5T245T245-V247 PolarHBondContact O-N 3.27Å
248S40.1Very low50.2Low83 Ų8399.4 Ų99.458%0.5860%0.601SS**  trans-106.393.2164.8-98.60000111.2A250 S251S248-A250 PolarHBondContact O-N 2.93Å; S248-S251 PolarHBondContact O-N 3.17Å; S248-S251 PolarHBondContact O-OG 2.9Å
249A43.2Very low48Very low112 Ų112100.9 Ų100.993%0.92662%0.623SS**THydrogen-bonded Turntrans-66.424.7168.800000113.8
250A43.8Very low46.2Very low79 Ų79103.5 Ų103.565%0.65365%0.65SS**THydrogen-bonded Turntrans-114.1-12.8178.300000113S248 S252S248-A250 PolarHBondContact O-N 2.93Å; A250-S252 PolarHBondContact O-N 3.43Å; A250-S252 VanDerWaalsContact O-N 3.14Å
251S40.4Very low44.9Very low83 Ų83103.9 Ų103.958%0.5866%0.655SS**SBendtrans-69.5108.516859.40000108.8S248S248-S251 PolarHBondContact O-N 3.17Å; S248-S251 PolarHBondContact O-OG 2.9Å
252S40.5Very low44.1Very low89 Ų89105.5 Ų105.562%0.62267%0.665SS**  trans-63.8143-168.845.70000113.4A250 S254A250-S252 PolarHBondContact O-N 3.43Å; A250-S252 VanDerWaalsContact O-N 3.14Å; S252-S254 PolarHBondContact O-N 3.24Å
253F38.9Very low43.4Very low206 Ų206108.6 Ų108.690%0.90468%0.677SS**SBendtrans-62.17.4172.7-115.2-102.4000114.5R255F253-R255 PolarHBondContact O-N 3.49Å; F253-R255 VanDerWaalsContact O-N 3.15Å
254S40.2Very low42.9Very low108 Ų108108.4 Ų108.476%0.75567%0.669SS**THydrogen-bonded Turntrans-74.65-175.8-51.50000114.6S252S252-S254 PolarHBondContact O-N 3.24Å
255R45.9Very low43.1Very low159 Ų159105.7 Ų105.760%0.666%0.658SS**THydrogen-bonded Turntrans-10523-177.8-148175.2-172.1167.52.6114.2F253F253-R255 PolarHBondContact O-N 3.49Å; F253-R255 VanDerWaalsContact O-N 3.15Å
256A38.2Very low44.2Very low89 Ų89104 Ų10474%0.73665%0.646SS**  trans-103.221.3174.300000113.4
257G32Very low45.7Very low52 Ų5297.3 Ų97.354%0.53661%0.611SS.*SBendtrans-75.6141.8167.500000111.1G259G257-G259 PolarHBondContact O-N 2.88Å
258P34Very low47.9Very low149 Ų14992.6 Ų92.697%0.96858%0.58SS**SBendtrans-73.375.317531.6-34.5000110.4
259G36.4Very low50.2Low58 Ų5890.3 Ų90.360%0.59857%0.57SS**  trans-167.664.1-174.200000109.3G257 V261G257-G259 PolarHBondContact O-N 2.88Å; G259-V261 VanDerWaalsContact C-N 3.32Å; G259-V261 PolarHBondContact O-N 2.86Å
260A38.6Very low52.5Low102 Ų10285 Ų8584%0.84353%0.526SS*.  trans-7481.9-173.100000111.7
261V44.8Very low54.9Low85 Ų8581.4 Ų81.452%0.51550%0.495SS..  trans-49.3125.8165-178.50000108.6G259 Q265G259-V261 VanDerWaalsContact C-N 3.32Å; G259-V261 PolarHBondContact O-N 2.86Å; V261-Q265 HydrophobicContact CG1-CB 4.42Å
262P48.6Very low57.4Low70 Ų7079.7 Ų79.746%0.45548%0.477SS..  trans-59.2142.5-167.719.9-31.3000112.1S264 Q265P262-S264 PolarHBondContact O-N 3.37Å; P262-Q265 HydrophobicContact CG-CG 4.23Å; P262-Q265 PolarHBondContact O-N 3.21Å; P262-Q265 VanDerWaalsContact O-N 3.12Å
263R51.9Low60Low183 Ų18377 Ų7769%0.69146%0.457SS*.G310 helixtrans-60.8-15.8-173.4-77.9174.9166.4152-5.8114Q265R263-Q265 VanDerWaalsContact C-N 3.32Å; R263-Q265 PolarHBondContact O-N 2.99Å
264S48.8Very low62.7Low37 Ų3767.1 Ų67.126%0.25941%0.414SS..G310 helixtrans-67.1-26.1175.250.20000113.7P262 Q266 D337P262-S264 PolarHBondContact O-N 3.37Å; S264-Q266 VanDerWaalsContact C-N 3.32Å; S264-Q266 PolarHBondContact O-N 2.98Å; S264-Q266 VanDerWaalsContact O-N 3.11Å; S264-D337 WeakPolarHBondContact CB-OD2 3.35Å; S264-D337 PolarHBondContact OG-OD2 2.95Å
265Q57.7Low65.3Low104 Ų10462.3 Ų62.349%0.48638%0.379SS..G310 helixtrans-83.718.9-166.1-66.7-175.6-12.400116.8V261 P262 R263 M268V261-Q265 HydrophobicContact CG1-CB 4.42Å; P262-Q265 HydrophobicContact CG-CG 4.23Å; P262-Q265 PolarHBondContact O-N 3.21Å; P262-Q265 VanDerWaalsContact O-N 3.12Å; R263-Q265 VanDerWaalsContact C-N 3.32Å; R263-Q265 PolarHBondContact O-N 2.99Å; Q265-M268 HydrophobicContact CB-CG 4.13Å; Q265-M268 HydrophobicContact CG-CG 4.48Å
266Q73.8Confident67.7Low31 Ų3159.8 Ų59.815%0.14537%0.369CS..THydrogen-bonded Turntrans-87126.8179-72.1176.758.800111.9T237 S241 S264 M268 R271T237-Q266 PolarHBondContact O-OE1 3.17Å; S241-Q266 PolarHBondContact OG-NE2 3.33Å; S241-Q266 PolarHBondContact OG-OE1 2.95Å; S264-Q266 VanDerWaalsContact C-N 3.32Å; S264-Q266 PolarHBondContact O-N 2.98Å; S264-Q266 VanDerWaalsContact O-N 3.11Å; Q266-M268 VanDerWaalsContact C-N 3.35Å; Q266-M268 PolarHBondContact O-N 3.38Å; Q266-R271 PolarHBondContact O-NE 3.4Å
267L81.5Confident70.5Confident26 Ų2655.8 Ų55.814%0.13634%0.336CS..THydrogen-bonded Turntrans58.137.3-175.8-55.5-179.9000114.3L233 V234 T237 G269 L270 R271 H424 E428L233-L267 HydrophobicContact CD2-CD1 4.31Å; L233-L267 HydrophobicContact CG-CD1 4.11Å; V234-L267 HydrophobicContact CG2-CB 4.48Å; V234-L267 HydrophobicContact CG2-CD1 4.13Å; T237-L267 HydrophobicContact CG2-CD1 3.99Å; L267-G269 PolarHBondContact O-N 2.87Å; L267-G269 VanDerWaalsContact O-N 3.17Å; L267-L270 HydrophobicContact CB-CB 4.13Å; L267-L270 HydrophobicContact CD1-CD2 4.18Å; L267-L270 PolarHBondContact O-N 2.95Å; L267-R271 WeakPolarHBondContact O-CG 3.32Å; L267-R271 PolarHBondContact O-N 3.43Å; L267-H424 HydrophobicContact CD2-CB 4.08Å; L267-E428 WeakPolarHBondContact CD1-OE1 3.42Å; L267-E428 WeakPolarHBondContact CD2-OE1 3.26Å
268M85.9Confident73.5Confident40 Ų4053.3 Ų53.320%0.19731%0.31CS..Hα-helixtrans-55.2-34.8-180-67.4-54.7-72.400113.8Q265 Q266 R271 K272 Y338Q265-M268 HydrophobicContact CB-CG 4.13Å; Q265-M268 HydrophobicContact CG-CG 4.48Å; Q266-M268 VanDerWaalsContact C-N 3.35Å; Q266-M268 PolarHBondContact O-N 3.38Å; M268-R271 PolarHBondContact O-N 3.08Å; M268-K272 VanDerWaalsContact O-CB 3.32Å; M268-K272 WeakPolarHBondContact O-CB 3.48Å; M268-K272 VanDerWaalsContact O-CG 3.32Å; M268-K272 WeakPolarHBondContact O-CG 3.44Å; M268-K272 PolarHBondContact O-N 3.33Å; M268-Y338 HydrophobicContact CE-CD2 3.78Å; M268-Y338 HydrophobicContact CE-CE2 4.47Å
269G89.1Confident76.4Confident35 Ų3547.2 Ų47.236%0.36127%0.268SS..Hα-helixtrans-57.1-55.6172.600000111.9L267 R271 K272 V273L267-G269 PolarHBondContact O-N 2.87Å; L267-G269 VanDerWaalsContact O-N 3.17Å; G269-R271 PolarHBondContact O-N 3.49Å; G269-K272 PolarHBondContact O-N 3.06Å; G269-V273 WeakPolarHBondContact O-CG2 3.36Å; G269-V273 PolarHBondContact O-N 2.94Å
270L91.9Very high79.2Confident0 Ų047.1 Ų47.10%026%0.259CS..Hα-helixtrans-58.6-45.2176.1-167.958.3000112.4A230 L233 V234 L267 V273 L274 S420 H424A230-L270 HydrophobicContact CB-CD1 4.1Å; A230-L270 HydrophobicContact CB-CD2 4.15Å; A230-L270 HydrophobicContact CB-CG 4.28Å; L233-L270 HydrophobicContact CD2-CD2 3.98Å; V234-L270 HydrophobicContact CG2-CD2 3.93Å; V234-L270 HydrophobicContact CG2-CG 4.41Å; L267-L270 HydrophobicContact CB-CB 4.13Å; L267-L270 HydrophobicContact CD1-CD2 4.18Å; L267-L270 PolarHBondContact O-N 2.95Å; L270-V273 PolarHBondContact O-N 3.13Å; L270-L274 WeakPolarHBondContact O-CB 3.36Å; L270-L274 PolarHBondContact O-N 2.98Å; L270-S420 WeakPolarHBondContact CA-OG 3.36Å; L270-H424 PolarHBondContact N-NE2 2.76Å; L270-H424 VanDerWaalsContact N-NE2 3.16Å
271R93Very high82Confident4 Ų442.3 Ų42.32%0.01522%0.219CC..Hα-helixtrans-59.9-47.6179.1-69.5177.1-178.1-108.51111.6V234 E238 Q266 L267 M268 G269 Y275 Y338 L343V234-R271 HydrophobicContact CG1-CG 4.26Å; V234-R271 VanDerWaalsContact CG1-CZ 3.46Å; V234-R271 VanDerWaalsContact CG1-NH2 3.3Å; V234-R271 HydrophobicContact CG2-CG 4.31Å; E238-R271 IonicContact OE2-CZ 2.89Å; E238-R271 IonicContact OE2-NH1 2.71Å; E238-R271 IonicContact OE2-NH2 3.94Å; E238-R271 PolarHBondContact OE2-NH2 2.99Å; Q266-R271 PolarHBondContact O-NE 3.4Å; L267-R271 WeakPolarHBondContact O-CG 3.32Å; L267-R271 PolarHBondContact O-N 3.43Å; M268-R271 PolarHBondContact O-N 3.08Å; G269-R271 PolarHBondContact O-N 3.49Å; R271-Y275 WeakPolarHBondContact O-CB 3.45Å; R271-Y275 PolarHBondContact O-N 2.8Å; R271-Y338 WeakPolarHBondContact CD-O 3.39Å; R271-Y338 PolarHBondContact NH1-O 2.91Å; R271-L343 HydrophobicContact CB-CD1 3.96Å; R271-L343 HydrophobicContact CG-CD1 3.84Å
272K93.8Very high84.4Confident47 Ų4738.2 Ų38.220%0.20419%0.194CC..Hα-helixtrans-61.4-49.5176.5-77.5-170.6168.2-162.20112M268 G269 Y275 R276 D328 Y338M268-K272 VanDerWaalsContact O-CB 3.32Å; M268-K272 WeakPolarHBondContact O-CB 3.48Å; M268-K272 VanDerWaalsContact O-CG 3.32Å; M268-K272 WeakPolarHBondContact O-CG 3.44Å; M268-K272 PolarHBondContact O-N 3.33Å; G269-K272 PolarHBondContact O-N 3.06Å; K272-Y275 PolarHBondContact O-N 3.3Å; K272-R276 WeakPolarHBondContact O-CG 3.33Å; K272-R276 PolarHBondContact O-N 2.96Å; K272-D328 WeakPolarHBondContact CE-OD2 3.41Å; K272-D328 IonicContact NZ-OD2 2.73Å; K272-D328 PolarHBondContact NZ-OD2 3.49Å; K272-Y338 HydrophobicContact CD-CE2 4.2Å; K272-Y338 HydrophobicContact CG-CD1 4.49Å; K272-Y338 HydrophobicContact CG-CD2 4.03Å; K272-Y338 HydrophobicContact CG-CE1 4.1Å; K272-Y338 HydrophobicContact CG-CE2 3.6Å; K272-Y338 HydrophobicContact CG-CG 4.45Å
273V95.2Very high86.6Confident31 Ų3136 Ų3619%0.18818%0.176CC..Hα-helixtrans-63.6-45179.9172.80000111G269 L270 Y275 R276 A277 D416 V417G269-V273 WeakPolarHBondContact O-CG2 3.36Å; G269-V273 PolarHBondContact O-N 2.94Å; L270-V273 PolarHBondContact O-N 3.13Å; V273-Y275 PolarHBondContact O-N 3.4Å; V273-R276 PolarHBondContact O-N 2.77Å; V273-A277 VanDerWaalsContact O-CB 3.23Å; V273-A277 WeakPolarHBondContact O-CB 3.37Å; V273-A277 PolarHBondContact O-N 2.94Å; V273-D416 HydrophobicContact CG1-CB 4.08Å; V273-D416 WeakPolarHBondContact CG1-O 3.42Å; V273-V417 HydrophobicContact CG1-CG2 4.27Å
274L95.5Very high88.6Confident0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-61-43.5178-176.765.8000112A227 A230 L231 L270 L278 L343 V417A227-L274 HydrophobicContact CB-CD1 3.77Å; A230-L274 HydrophobicContact CB-CD1 4.37Å; A230-L274 HydrophobicContact CB-CD2 4.35Å; L231-L274 HydrophobicContact CD2-CD2 3.71Å; L231-L274 HydrophobicContact CG-CD2 3.88Å; L270-L274 WeakPolarHBondContact O-CB 3.36Å; L270-L274 PolarHBondContact O-N 2.98Å; L274-L278 HydrophobicContact CD1-CD1 3.78Å; L274-L278 HydrophobicContact CD1-CG 4.03Å; L274-L278 HydrophobicContact CG-CD1 3.89Å; L274-L278 HydrophobicContact CG-CG 4.45Å; L274-L278 WeakPolarHBondContact O-CB 3.5Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.44Å; L274-L278 PolarHBondContact O-N 3.4Å; L274-L343 HydrophobicContact CD2-CD1 4.48Å; L274-V417 HydrophobicContact CD1-CG1 4.31Å
275Y95.8Very high90.9Very high6 Ų626.3 Ų26.32%0.02414%0.138CC..Hα-helixtrans-58.3-55.1173.2171.3-96.5000111.6R271 K272 V273 A277 L278 R279 L319 A331 T335 Y338 L346R271-Y275 WeakPolarHBondContact O-CB 3.45Å; R271-Y275 PolarHBondContact O-N 2.8Å; K272-Y275 PolarHBondContact O-N 3.3Å; V273-Y275 PolarHBondContact O-N 3.4Å; Y275-A277 VanDerWaalsContact C-N 3.33Å; Y275-A277 PolarHBondContact O-N 2.92Å; Y275-L278 PolarHBondContact O-N 3.21Å; Y275-R279 WeakPolarHBondContact O-CB 3.33Å; Y275-R279 PolarHBondContact O-N 3.07Å; Y275-R279 WeakPolarHBondContact OH-CD 3.44Å; Y275-R279 PolarHBondContact OH-NH1 3.18Å; Y275-L319 PolarHBondContact OH-O 3.2Å; Y275-A331 HydrophobicContact CD1-CB 4.49Å; Y275-A331 HydrophobicContact CE1-CB 3.88Å; Y275-T335 HydrophobicContact CD2-CG2 3.82Å; Y275-T335 HydrophobicContact CE2-CG2 3.55Å; Y275-Y338 HydrophobicContact CD1-CD1 4.3Å; Y275-Y338 AromaticContact CD1-CE1 3.73Å; Y275-Y338 HydrophobicContact CD1-CE1 3.73Å; Y275-Y338 HydrophobicContact CD2-CD1 4.47Å; Y275-Y338 HydrophobicContact CE1-CE1 4.47Å; Y275-Y338 AromaticContact CG-CD1 3.9Å; Y275-Y338 HydrophobicContact CG-CD1 3.9Å; Y275-Y338 AromaticContact CG-CE1 3.82Å; Y275-Y338 HydrophobicContact CG-CE1 3.82Å; Y275-L346 HydrophobicContact CD2-CD2 3.55Å; Y275-L346 HydrophobicContact CE2-CD2 4.01Å; Y275-L346 HydrophobicContact CG-CD2 4.29Å
276R95.1Very high92.6Very high107 Ų10722 Ų2240%0.40412%0.117SC..Hα-helixtrans-61.3-42.5-176.4-66.6-170.9-154.3112-7.2111.6K272 V273 S280 D328K272-R276 WeakPolarHBondContact O-CG 3.33Å; K272-R276 PolarHBondContact O-N 2.96Å; V273-R276 PolarHBondContact O-N 2.77Å; R276-S280 WeakPolarHBondContact O-CB 3.21Å; R276-S280 PolarHBondContact O-N 3.31Å; R276-D328 IonicContact CZ-OD1 3.21Å; R276-D328 IonicContact NE-OD1 2.66Å; R276-D328 PolarHBondContact NE-OD1 2.99Å; R276-D328 IonicContact NH2-OD1 3.54Å; R276-D328 PolarHBondContact NH2-OD1 3.39Å; R276-D328 IonicContact NH2-OD2 3.87Å; R276-D328 PolarHBondContact NH2-OD2 2.85Å
277A96.3Very high93.6Very high4 Ų427.2 Ų27.23%0.03314%0.135CC..Hα-helixtrans-66-50.617900000112.6V273 Y275 R279 S280 A281 C413 V417V273-A277 VanDerWaalsContact O-CB 3.23Å; V273-A277 WeakPolarHBondContact O-CB 3.37Å; V273-A277 PolarHBondContact O-N 2.94Å; Y275-A277 VanDerWaalsContact C-N 3.33Å; Y275-A277 PolarHBondContact O-N 2.92Å; A277-R279 VanDerWaalsContact C-N 3.34Å; A277-R279 PolarHBondContact O-N 3.26Å; A277-S280 PolarHBondContact O-N 2.85Å; A277-A281 VanDerWaalsContact O-CB 3.25Å; A277-A281 WeakPolarHBondContact O-CB 3.5Å; A277-A281 PolarHBondContact O-N 3.42Å; A277-C413 HydrophobicContact CB-CB 4.01Å; A277-C413 PolarHBondContact O-SG 2.67Å; A277-C413 VanDerWaalsContact O-SG 3.37Å; A277-V417 HydrophobicContact CB-CG2 3.29Å
278L96.5Very high94.2Very high0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-63.4-40179.2-70.4174.5000112A227 L274 Y275 F282 L346 F347 W350A227-L278 HydrophobicContact CB-CD2 3.97Å; L274-L278 HydrophobicContact CD1-CD1 3.78Å; L274-L278 HydrophobicContact CD1-CG 4.03Å; L274-L278 HydrophobicContact CG-CD1 3.89Å; L274-L278 HydrophobicContact CG-CG 4.45Å; L274-L278 WeakPolarHBondContact O-CB 3.5Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.44Å; L274-L278 PolarHBondContact O-N 3.4Å; Y275-L278 PolarHBondContact O-N 3.21Å; L278-F282 VanDerWaalsContact O-CB 3.23Å; L278-F282 WeakPolarHBondContact O-CB 3.5Å; L278-F282 PolarHBondContact O-N 2.99Å; L278-L346 HydrophobicContact CB-CD2 3.84Å; L278-L346 HydrophobicContact CB-CG 3.83Å; L278-L346 HydrophobicContact CD1-CG 4.49Å; L278-F347 HydrophobicContact CD1-CB 3.98Å; L278-F347 HydrophobicContact CD1-CD2 4.26Å; L278-F347 HydrophobicContact CD2-CD2 4.1Å; L278-W350 HydrophobicContact CD2-CB 4.12Å; L278-W350 HydrophobicContact CD2-CG 3.82Å
279R95.1Very high94.7Very high21 Ų2124.5 Ų24.58%0.07912%0.123CC..Hα-helixtrans-63.8-43.6174.4165.2174.5151151.7-0.4112.5Y275 A277 R283 G320 L321 I323 E324 L326 L346Y275-R279 WeakPolarHBondContact O-CB 3.33Å; Y275-R279 PolarHBondContact O-N 3.07Å; Y275-R279 WeakPolarHBondContact OH-CD 3.44Å; Y275-R279 PolarHBondContact OH-NH1 3.18Å; A277-R279 VanDerWaalsContact C-N 3.34Å; A277-R279 PolarHBondContact O-N 3.26Å; R279-R283 VanDerWaalsContact NH2-NH1 3.12Å; R279-R283 WeakPolarHBondContact O-CG 3.26Å; R279-R283 PolarHBondContact O-N 2.81Å; R279-G320 PolarHBondContact NH1-O 3.45Å; R279-L321 HydrophobicContact CB-CD2 4.32Å; R279-L321 HydrophobicContact CG-CD2 4.03Å; R279-I323 PolarHBondContact NH2-O 2.99Å; R279-E324 PolarHBondContact NH2-O 3.01Å; R279-E324 VanDerWaalsContact NH2-O 3.14Å; R279-L326 VanDerWaalsContact NH1-CB 3.31Å; R279-L346 HydrophobicContact CB-CD2 4.28Å
280S94.8Very high94.8Very high57 Ų5723 Ų2340%0.39911%0.107SC..Hα-helixtrans-65.1-47.4178-174.90000111R276 A277 F282 R283 A284R276-S280 WeakPolarHBondContact O-CB 3.21Å; R276-S280 PolarHBondContact O-N 3.31Å; A277-S280 PolarHBondContact O-N 2.85Å; S280-F282 PolarHBondContact O-N 3.46Å; S280-R283 PolarHBondContact O-N 3.22Å; S280-A284 WeakPolarHBondContact O-CB 3.4Å; S280-A284 PolarHBondContact O-N 3.44Å
281A96.4Very high94.8Very high0 Ų027.1 Ų27.10%013%0.126CC..Hα-helixtrans-58-48.5175.800000111.9L223 A277 R283 A284 S285 W350 L410 C413L223-A281 HydrophobicContact CD2-CB 3.96Å; A277-A281 VanDerWaalsContact O-CB 3.25Å; A277-A281 WeakPolarHBondContact O-CB 3.5Å; A277-A281 PolarHBondContact O-N 3.42Å; A281-R283 PolarHBondContact O-N 2.75Å; A281-A284 PolarHBondContact O-N 3.39Å; A281-S285 PolarHBondContact O-N 3.49Å; A281-S285 PolarHBondContact O-OG 2.94Å; A281-S285 VanDerWaalsContact O-OG 3.12Å; A281-W350 VanDerWaalsContact C-CZ3 3.44Å; A281-W350 HydrophobicContact CB-CD2 4.22Å; A281-W350 HydrophobicContact CB-CE3 3.63Å; A281-W350 HydrophobicContact CB-CH2 3.95Å; A281-W350 HydrophobicContact CB-CZ2 4.48Å; A281-W350 HydrophobicContact CB-CZ3 3.49Å; A281-W350 VanDerWaalsContact CB-CZ3 3.49Å; A281-W350 WeakPolarHBondContact O-CZ3 3.36Å; A281-L410 HydrophobicContact CB-CD2 3.59Å; A281-C413 HydrophobicContact CB-CB 4.5Å
282F96Very high94.7Very high0 Ų027 Ų270%013%0.126CC..Hα-helixtrans-56.7-45.5175.1175-87.3000112.4L278 S280 S285 R286 L314 L317 L321 L349 W350 Q353L278-F282 VanDerWaalsContact O-CB 3.23Å; L278-F282 WeakPolarHBondContact O-CB 3.5Å; L278-F282 PolarHBondContact O-N 2.99Å; S280-F282 PolarHBondContact O-N 3.46Å; F282-S285 PolarHBondContact O-OG 3.37Å; F282-S285 VanDerWaalsContact O-OG 3.12Å; F282-R286 WeakPolarHBondContact O-CB 3.42Å; F282-R286 PolarHBondContact O-N 3.02Å; F282-L314 HydrophobicContact CE1-CD2 3.87Å; F282-L317 HydrophobicContact CE1-CD1 4.31Å; F282-L317 HydrophobicContact CZ-CD1 3.72Å; F282-L321 HydrophobicContact CD1-CD1 4.29Å; F282-L321 HydrophobicContact CD1-CD2 3.88Å; F282-L321 HydrophobicContact CE1-CD1 4.02Å; F282-L321 HydrophobicContact CE1-CD2 4.32Å; F282-L321 HydrophobicContact CZ-CD1 4.35Å; F282-L349 HydrophobicContact CD2-CB 4.12Å; F282-L349 WeakPolarHBondContact CD2-O 3.36Å; F282-L349 HydrophobicContact CE2-CB 3.95Å; F282-L349 WeakPolarHBondContact CE2-O 3.31Å; F282-W350 HydrophobicContact CB-CE3 4.48Å; F282-Q353 HydrophobicContact CD2-CB 3.52Å; F282-Q353 HydrophobicContact CD2-CG 3.88Å; F282-Q353 HydrophobicContact CE2-CB 3.43Å; F282-Q353 VanDerWaalsContact CE2-CB 3.43Å; F282-Q353 HydrophobicContact CE2-CG 3.78Å; F282-Q353 HydrophobicContact CZ-CB 4.36Å; F282-Q353 HydrophobicContact CZ-CG 4.3Å
283R94.1Very high94.5Very high22 Ų2225.2 Ų25.28%0.08312%0.118CC..Hα-helixtrans-66.5-37177.1-76.2-177.2176.6167.83.2112.4R279 S280 A281 R287 G320 L321 I323 E324R279-R283 VanDerWaalsContact NH2-NH1 3.12Å; R279-R283 WeakPolarHBondContact O-CG 3.26Å; R279-R283 PolarHBondContact O-N 2.81Å; S280-R283 PolarHBondContact O-N 3.22Å; A281-R283 PolarHBondContact O-N 2.75Å; R283-R287 WeakPolarHBondContact O-CB 3.24Å; R283-R287 VanDerWaalsContact O-CG 3.25Å; R283-R287 WeakPolarHBondContact O-CG 3.35Å; R283-R287 PolarHBondContact O-N 3.07Å; R283-G320 PolarHBondContact NH2-O 2.99Å; R283-L321 VanDerWaalsContact CZ-O 3.29Å; R283-L321 PolarHBondContact NE-O 3.21Å; R283-L321 PolarHBondContact NH2-O 3.28Å; R283-I323 PolarHBondContact NH1-O 3.02Å; R283-I323 VanDerWaalsContact NH2-C 3.28Å; R283-I323 PolarHBondContact NH2-O 3.03Å; R283-E324 PolarHBondContact NH1-O 2.94Å
284A95.2Very high94.2Very high15 Ų1529.3 Ų29.312%0.12413%0.134CC..Hα-helixtrans-66.3-48.3177.500000111.5S280 A281 R287 A288 L406 A409S280-A284 WeakPolarHBondContact O-CB 3.4Å; S280-A284 PolarHBondContact O-N 3.44Å; A281-A284 PolarHBondContact O-N 3.39Å; A284-R287 PolarHBondContact O-N 3.26Å; A284-A288 VanDerWaalsContact O-CB 3.32Å; A284-A288 WeakPolarHBondContact O-CB 3.37Å; A284-A288 PolarHBondContact O-N 2.73Å; A284-L406 HydrophobicContact CB-CD1 3.89Å; A284-A409 HydrophobicContact CB-CB 3.48Å; A284-A409 VanDerWaalsContact CB-CB 3.48Å
285S95.6Very high93.8Very high2 Ų231.5 Ų31.51%0.01415%0.152CC..Hα-helixtrans-65.8-37.7176.9550000112.1A281 F282 A288 T289 Q353A281-S285 PolarHBondContact O-N 3.49Å; A281-S285 PolarHBondContact O-OG 2.94Å; A281-S285 VanDerWaalsContact O-OG 3.12Å; F282-S285 PolarHBondContact O-OG 3.37Å; F282-S285 VanDerWaalsContact O-OG 3.12Å; S285-A288 PolarHBondContact O-N 2.99Å; S285-T289 WeakPolarHBondContact O-CB 3.47Å; S285-T289 PolarHBondContact O-N 3.13Å; S285-T289 PolarHBondContact O-OG1 2.91Å; S285-Q353 WeakPolarHBondContact OG-CG 3.42Å
286R95Very high93.3Very high13 Ų1333.8 Ų33.85%0.04916%0.162CC..Hα-helixtrans-62.6-50.7172.9-171.3174173.2140.3-6.1112.5F282 A288 T289 C290 V309 C310 V312 Q353F282-R286 WeakPolarHBondContact O-CB 3.42Å; F282-R286 PolarHBondContact O-N 3.02Å; R286-A288 VanDerWaalsContact C-N 3.3Å; R286-A288 PolarHBondContact O-N 3.21Å; R286-T289 PolarHBondContact O-N 2.74Å; R286-T289 VanDerWaalsContact O-N 3.11Å; R286-C290 PolarHBondContact O-N 3.35Å; R286-C290 PolarHBondContact O-SG 2.96Å; R286-V309 PolarHBondContact NH1-O 3.33Å; R286-C310 HydrophobicContact CG-CB 3.62Å; R286-C310 PolarHBondContact NE-O 2.9Å; R286-C310 PolarHBondContact NH2-O 3.28Å; R286-V312 PolarHBondContact NH1-O 3.45Å; R286-V312 PolarHBondContact NH2-O 3.35Å; R286-Q353 HydrophobicContact CB-CG 3.91Å
287R93.6Very high92.9Very high142 Ų14233.1 Ų33.154%0.53617%0.171SC..Hα-helixtrans-59.3-41.3177.4-75176.4-174.5137.1-11111.5R283 A284 H291 E324R283-R287 WeakPolarHBondContact O-CB 3.24Å; R283-R287 VanDerWaalsContact O-CG 3.25Å; R283-R287 WeakPolarHBondContact O-CG 3.35Å; R283-R287 PolarHBondContact O-N 3.07Å; A284-R287 PolarHBondContact O-N 3.26Å; R287-H291 WeakPolarHBondContact O-CB 3.37Å; R287-H291 PolarHBondContact O-N 2.82Å; R287-E324 IonicContact NH2-OE1 3.55Å; R287-E324 PolarHBondContact NH2-OE1 2.9Å
288A95Very high92.3Very high8 Ų834.9 Ų34.97%0.06618%0.18CC..Hα-helixtrans-59.4-45.6173.600000111.8A284 S285 R286 H291 M292 V402 L406A284-A288 VanDerWaalsContact O-CB 3.32Å; A284-A288 WeakPolarHBondContact O-CB 3.37Å; A284-A288 PolarHBondContact O-N 2.73Å; S285-A288 PolarHBondContact O-N 2.99Å; R286-A288 VanDerWaalsContact C-N 3.3Å; R286-A288 PolarHBondContact O-N 3.21Å; A288-H291 PolarHBondContact O-N 3.22Å; A288-M292 WeakPolarHBondContact O-CG 3.41Å; A288-M292 PolarHBondContact O-N 3.01Å; A288-V402 HydrophobicContact CB-CG1 3.61Å; A288-L406 HydrophobicContact CB-CB 4.43Å; A288-L406 HydrophobicContact CB-CD2 4.02Å
289T94.8Very high91.7Very high0 Ų037.2 Ų37.20%019%0.192CC..Hα-helixtrans-64.5-47.5178.8-50.30000112S285 R286 H291 M292 L293 Y308 C310 E356 C357 R360S285-T289 WeakPolarHBondContact O-CB 3.47Å; S285-T289 PolarHBondContact O-N 3.13Å; S285-T289 PolarHBondContact O-OG1 2.91Å; R286-T289 PolarHBondContact O-N 2.74Å; R286-T289 VanDerWaalsContact O-N 3.11Å; T289-H291 VanDerWaalsContact C-N 3.32Å; T289-H291 PolarHBondContact O-N 3.36Å; T289-M292 WeakPolarHBondContact O-CB 3.23Å; T289-M292 PolarHBondContact O-N 2.98Å; T289-M292 VanDerWaalsContact O-N 3.12Å; T289-L293 HydrophobicContact CG2-CD1 4.18Å; T289-L293 WeakPolarHBondContact O-CG 3.41Å; T289-L293 PolarHBondContact O-N 2.92Å; T289-Y308 HydrophobicContact CG2-CD1 4.05Å; T289-Y308 HydrophobicContact CG2-CE1 4.38Å; T289-C310 HydrophobicContact CG2-CB 4.44Å; T289-C310 VanDerWaalsContact CG2-SG 3.55Å; T289-E356 HydrophobicContact CG2-CG 4.15Å; T289-C357 WeakPolarHBondContact OG1-CA 3.42Å; T289-C357 VanDerWaalsContact OG1-CB 3.29Å; T289-C357 WeakPolarHBondContact OG1-CB 3.34Å; T289-R360 HydrophobicContact CG2-CB 4.34Å; T289-R360 HydrophobicContact CG2-CG 4.48Å
290C92.4Very high91.1Very high4 Ų441.2 Ų41.23%0.02722%0.223CC..Hα-helixtrans-63.7-36.2176.2-58.70000112.7R286 L293 K294 C698R286-C290 PolarHBondContact O-N 3.35Å; R286-C290 PolarHBondContact O-SG 2.96Å; C290-L293 PolarHBondContact O-N 3.17Å; C290-K294 WeakPolarHBondContact O-CB 3.47Å; C290-K294 WeakPolarHBondContact O-CG 3.39Å; C290-K294 PolarHBondContact O-N 3.39Å; C290-C698 WeakPolarHBondContact CB-SG 3.46Å; C290-C698 VanDerWaalsContact SG-SG 3.66Å
291H91.2Very high90.5Very high87 Ų8744.9 Ų44.940%0.40324%0.235SC..Hα-helixtrans-66-39.2173-174.6-66.3000111.3R287 A288 T289 K294 A295 V402R287-H291 WeakPolarHBondContact O-CB 3.37Å; R287-H291 PolarHBondContact O-N 2.82Å; A288-H291 PolarHBondContact O-N 3.22Å; T289-H291 VanDerWaalsContact C-N 3.32Å; T289-H291 PolarHBondContact O-N 3.36Å; H291-K294 PolarHBondContact O-N 3.32Å; H291-A295 WeakPolarHBondContact O-CB 3.41Å; H291-A295 PolarHBondContact O-N 3.44Å; H291-V402 HydrophobicContact CB-CG2 4.48Å; H291-V402 WeakPolarHBondContact ND1-CG2 3.47Å
292M91.6Very high89.9Confident2 Ų245.1 Ų45.11%0.0124%0.236CC..Hα-helixtrans-61.4-45.4174.4-76-175.3-6400112A288 T289 F296 R360 L361 L364 V402A288-M292 WeakPolarHBondContact O-CG 3.41Å; A288-M292 PolarHBondContact O-N 3.01Å; T289-M292 WeakPolarHBondContact O-CB 3.23Å; T289-M292 PolarHBondContact O-N 2.98Å; T289-M292 VanDerWaalsContact O-N 3.12Å; M292-F296 CarbonylContact O-C 3.59Å; M292-F296 WeakPolarHBondContact O-CA 3.49Å; M292-F296 WeakPolarHBondContact O-CB 3.41Å; M292-F296 PolarHBondContact O-N 2.94Å; M292-R360 HydrophobicContact CB-CG 4.07Å; M292-R360 HydrophobicContact CE-CB 4.03Å; M292-R360 HydrophobicContact CE-CG 4.16Å; M292-R360 HydrophobicContact SD-CG 4.47Å; M292-L361 HydrophobicContact CE-CB 4.45Å; M292-L361 HydrophobicContact SD-CB 4.07Å; M292-L361 HydrophobicContact SD-CD1 4.01Å; M292-L364 HydrophobicContact CB-CD1 3.85Å; M292-L364 HydrophobicContact CG-CD1 3.63Å; M292-L364 HydrophobicContact SD-CD1 3.61Å; M292-V402 HydrophobicContact CE-CG1 4.41Å; M292-V402 HydrophobicContact CG-CB 4.38Å; M292-V402 HydrophobicContact CG-CG1 3.8Å; M292-V402 HydrophobicContact CG-CG2 3.92Å; M292-V402 HydrophobicContact SD-CG1 4.02Å
293L89.8Confident89.5Confident8 Ų846 Ų464%0.04224%0.241CC..Hα-helixtrans-62.1-42.2177-70.9160.8000112.4T289 C290 D303 Y308 C310 F696T289-L293 HydrophobicContact CG2-CD1 4.18Å; T289-L293 WeakPolarHBondContact O-CG 3.41Å; T289-L293 PolarHBondContact O-N 2.92Å; C290-L293 PolarHBondContact O-N 3.17Å; L293-D303 HydrophobicContact CD2-CB 4.16Å; L293-D303 VanDerWaalsContact CD2-OD1 3.28Å; L293-D303 WeakPolarHBondContact CD2-OD1 3.43Å; L293-Y308 HydrophobicContact CD1-CD1 4.21Å; L293-Y308 HydrophobicContact CD1-CD2 4.47Å; L293-Y308 HydrophobicContact CD1-CG 4.2Å; L293-Y308 HydrophobicContact CD2-CD2 4.34Å; L293-Y308 HydrophobicContact CD2-CE1 4.42Å; L293-Y308 HydrophobicContact CD2-CE2 4Å; L293-C310 VanDerWaalsContact CD1-SG 3.55Å; L293-F696 HydrophobicContact CD1-CD1 4.01Å; L293-F696 HydrophobicContact CD1-CE1 3.66Å; L293-F696 HydrophobicContact CD1-CZ 3.96Å; L293-F696 HydrophobicContact CD2-CZ 4.25Å
294K88.6Confident89.3Confident118 Ų11848.2 Ų48.251%0.51325%0.254SS..Hα-helixtrans-77.1-41-178.9-71.5-179.6178.4-177.40114.2C290 H291 F696C290-K294 WeakPolarHBondContact O-CB 3.47Å; C290-K294 WeakPolarHBondContact O-CG 3.39Å; C290-K294 PolarHBondContact O-N 3.39Å; H291-K294 PolarHBondContact O-N 3.32Å; K294-F696 WeakPolarHBondContact CE-O 3.48Å; K294-F696 PolarHBondContact NZ-O 2.92Å
295A86.2Confident88.9Confident46 Ų4651 Ų5138%0.3827%0.269SS..Hα-helixtrans-88.3-25.1-175.200000113.3H291H291-A295 WeakPolarHBondContact O-CB 3.41Å; H291-A295 PolarHBondContact O-N 3.44Å
296F86.6Confident88.4Confident53 Ų5356.2 Ų56.223%0.23230%0.301CS..SBendtrans-137.862.5-175-47.3-64.5000111.1M292 R360 L364 V402M292-F296 CarbonylContact O-C 3.59Å; M292-F296 WeakPolarHBondContact O-CA 3.49Å; M292-F296 WeakPolarHBondContact O-CB 3.41Å; M292-F296 PolarHBondContact O-N 2.94Å; F296-R360 PolarHBondContact O-NH1 2.89Å; F296-R360 PolarHBondContact O-NH2 2.94Å; F296-L364 HydrophobicContact CB-CD1 4.3Å; F296-L364 HydrophobicContact CB-CD2 3.52Å; F296-L364 HydrophobicContact CD2-CD1 4.24Å; F296-L364 HydrophobicContact CG-CD2 4.39Å; F296-V402 HydrophobicContact CE2-CG2 4.33Å
297P85.4Confident88.1Confident93 Ų9357.1 Ų57.160%0.60431%0.307SS*.  trans-60.6139.9178.426.7-35.1000111.2D303P297-D303 WeakPolarHBondContact CA-OD2 3.33Å
298L84.3Confident88Confident42 Ų4250.6 Ų50.622%0.2228%0.282CS..  trans-105.9-167.9175.2-67.1178.1000110.2V302 D303 L363 L364L298-V302 HydrophobicContact CB-CB 4.25Å; L298-V302 HydrophobicContact CB-CG1 4.17Å; L298-V302 HydrophobicContact CD1-CG1 3.73Å; L298-D303 PolarHBondContact N-OD2 3.27Å; L298-L363 HydrophobicContact CD1-CB 4.1Å; L298-L364 HydrophobicContact CD1-CD2 4.43Å; L298-L364 HydrophobicContact CD2-CD2 4.25Å; L298-L364 HydrophobicContact CG-CD2 4.36Å
299N83.9Confident87.7Confident48 Ų4852.6 Ų52.626%0.25729%0.294SS..  trans-61.1147.817253-45000111.6E301 V302 D303 R369N299-E301 PolarHBondContact ND2-OE2 3.26Å; N299-E301 PolarHBondContact O-N 3.42Å; N299-V302 PolarHBondContact O-N 2.95Å; N299-V302 WeakPolarHBondContact OD1-CG2 3.39Å; N299-D303 PolarHBondContact O-N 3.46Å; N299-R369 PolarHBondContact OD1-NH2 3.39Å
300S82Confident87.5Confident105 Ų10552.7 Ų52.773%0.73430%0.295SS*.THydrogen-bonded Turntrans-59.8-19.7-176.250.80000115N304S300-N304 PolarHBondContact O-N 2.87Å
301E83.9Confident87.3Confident135 Ų13553.7 Ų53.763%0.63130%0.303SS*.THydrogen-bonded Turntrans-76.2-40.6174.1-63.2165.1156.200111.9N299 N307N299-E301 PolarHBondContact ND2-OE2 3.26Å; N299-E301 PolarHBondContact O-N 3.42Å; E301-N307 PolarHBondContact O-ND2 3.37Å
302V83.7Confident87.2Confident4 Ų452.2 Ų52.22%0.02430%0.3CS..THydrogen-bonded Turntrans-71.4-53.7176171.10000109.4L118 L298 N299 N304 N307 Y308 L363L118-V302 HydrophobicContact CB-CG2 4.24Å; L118-V302 HydrophobicContact CD1-CG2 4.17Å; L118-V302 HydrophobicContact CD2-CG2 3.89Å; L118-V302 HydrophobicContact CG-CG2 4.32Å; L298-V302 HydrophobicContact CB-CB 4.25Å; L298-V302 HydrophobicContact CB-CG1 4.17Å; L298-V302 HydrophobicContact CD1-CG1 3.73Å; N299-V302 PolarHBondContact O-N 2.95Å; N299-V302 WeakPolarHBondContact OD1-CG2 3.39Å; V302-N304 PolarHBondContact O-N 2.83Å; V302-N304 VanDerWaalsContact O-N 3.13Å; V302-N307 PolarHBondContact O-ND2 3.5Å; V302-Y308 VanDerWaalsContact O-CE2 3.29Å; V302-Y308 WeakPolarHBondContact O-CE2 3.37Å; V302-Y308 PolarHBondContact O-OH 3.05Å; V302-L363 HydrophobicContact CG1-CD1 3.84Å
303D87.4Confident87Confident19 Ų1955.1 Ų55.110%0.10232%0.319CS..SBendtrans-80.617.9-176.5-79.30.4000113.8L293 P297 L298 N299 V305 R360L293-D303 HydrophobicContact CD2-CB 4.16Å; L293-D303 VanDerWaalsContact CD2-OD1 3.28Å; L293-D303 WeakPolarHBondContact CD2-OD1 3.43Å; P297-D303 WeakPolarHBondContact CA-OD2 3.33Å; L298-D303 PolarHBondContact N-OD2 3.27Å; N299-D303 PolarHBondContact O-N 3.46Å; D303-V305 PolarHBondContact O-N 3.49Å; D303-R360 IonicContact OD1-CZ 2.95Å; D303-R360 IonicContact OD1-NE 2.62Å; D303-R360 PolarHBondContact OD1-NE 2.88Å; D303-R360 IonicContact OD1-NH2 2.95Å; D303-R360 PolarHBondContact OD1-NH2 3.2Å; D303-R360 IonicContact OD2-CZ 3.54Å; D303-R360 IonicContact OD2-NH2 3.27Å; D303-R360 PolarHBondContact OD2-NH2 3.18Å
304N88.8Confident86.8Confident69 Ų6957.4 Ų57.437%0.36933%0.331SS..  trans-60.5128.7172.8-177.5-4.9000110.2S300 V302 T306 N307 Y308S300-N304 PolarHBondContact O-N 2.87Å; V302-N304 PolarHBondContact O-N 2.83Å; V302-N304 VanDerWaalsContact O-N 3.13Å; N304-T306 PolarHBondContact ND2-OG1 3.23Å; N304-T306 VanDerWaalsContact ND2-OG1 3.09Å; N304-T306 PolarHBondContact O-N 2.84Å; N304-T306 VanDerWaalsContact O-N 3.09Å; N304-T306 PolarHBondContact OD1-N 3.02Å; N304-T306 PolarHBondContact OD1-OG1 2.63Å; N304-N307 VanDerWaalsContact O-CB 3.32Å; N304-N307 WeakPolarHBondContact O-CB 3.49Å; N304-N307 PolarHBondContact O-N 3.22Å; N304-Y308 VanDerWaalsContact O-CD2 3.28Å; N304-Y308 WeakPolarHBondContact O-CD2 3.3Å
305V86.4Confident86.6Confident72 Ų7260.9 Ų60.944%0.43635%0.346SS..G310 helixtrans-51.4-34.3-179.1-173.50000112.4D303 N307 Y308 A311 F696D303-V305 PolarHBondContact O-N 3.49Å; V305-N307 PolarHBondContact O-N 2.87Å; V305-Y308 PolarHBondContact O-N 3.42Å; V305-A311 HydrophobicContact CG1-CB 3.47Å; V305-A311 VanDerWaalsContact CG1-CB 3.47Å; V305-F696 HydrophobicContact CG2-CZ 4.29Å
306T86.8Confident86.7Confident113 Ų11365.3 Ų65.369%0.69336%0.359SS*.G310 helixtrans-64.2-21.117858.80000114N304 Y308N304-T306 PolarHBondContact ND2-OG1 3.23Å; N304-T306 VanDerWaalsContact ND2-OG1 3.09Å; N304-T306 PolarHBondContact O-N 2.84Å; N304-T306 VanDerWaalsContact O-N 3.09Å; N304-T306 PolarHBondContact OD1-N 3.02Å; N304-T306 PolarHBondContact OD1-OG1 2.63Å; T306-Y308 VanDerWaalsContact C-N 3.28Å; T306-Y308 PolarHBondContact O-N 3.16Å
307N88.8Confident86.5Confident31 Ų3164.2 Ų64.217%0.16636%0.355CS..G310 helixtrans-863.6-177.6-55.7-13.7000112.8E301 V302 N304 V305 R359E301-N307 PolarHBondContact O-ND2 3.37Å; V302-N307 PolarHBondContact O-ND2 3.5Å; N304-N307 VanDerWaalsContact O-CB 3.32Å; N304-N307 WeakPolarHBondContact O-CB 3.49Å; N304-N307 PolarHBondContact O-N 3.22Å; V305-N307 PolarHBondContact O-N 2.87Å; N307-R359 PolarHBondContact O-NH2 3.06Å
308Y91.1Very high86.6Confident5 Ų561.3 Ų61.32%0.0234%0.342CS..  trans-137.8112.5-171.3-61.7-77.2000114T289 L293 V302 N304 V305 T306 C310 A311 E356 R360T289-Y308 HydrophobicContact CG2-CD1 4.05Å; T289-Y308 HydrophobicContact CG2-CE1 4.38Å; L293-Y308 HydrophobicContact CD1-CD1 4.21Å; L293-Y308 HydrophobicContact CD1-CD2 4.47Å; L293-Y308 HydrophobicContact CD1-CG 4.2Å; L293-Y308 HydrophobicContact CD2-CD2 4.34Å; L293-Y308 HydrophobicContact CD2-CE1 4.42Å; L293-Y308 HydrophobicContact CD2-CE2 4Å; V302-Y308 VanDerWaalsContact O-CE2 3.29Å; V302-Y308 WeakPolarHBondContact O-CE2 3.37Å; V302-Y308 PolarHBondContact O-OH 3.05Å; N304-Y308 VanDerWaalsContact O-CD2 3.28Å; N304-Y308 WeakPolarHBondContact O-CD2 3.3Å; V305-Y308 PolarHBondContact O-N 3.42Å; T306-Y308 VanDerWaalsContact C-N 3.28Å; T306-Y308 PolarHBondContact O-N 3.16Å; Y308-C310 PolarHBondContact O-N 2.82Å; Y308-A311 WeakPolarHBondContact O-CB 3.32Å; Y308-A311 PolarHBondContact O-N 2.87Å; Y308-E356 WeakPolarHBondContact CA-OE2 3.39Å; Y308-E356 HydrophobicContact CD1-CG 3.65Å; Y308-E356 HydrophobicContact CE1-CG 4.17Å; Y308-R360 HydrophobicContact CE1-CB 4.25Å; Y308-R360 HydrophobicContact CE1-CG 4.35Å; Y308-R360 WeakPolarHBondContact OH-CD 3.36Å
309V88.9Confident86.7Confident51 Ų5160.3 Ų60.331%0.30934%0.337SS..G310 helixtrans-55.7-28.9163.4-175.70000111R286 A311 V312 E356R286-V309 PolarHBondContact NH1-O 3.33Å; V309-A311 PolarHBondContact O-N 3.39Å; V309-V312 PolarHBondContact O-N 3.49Å; V309-V312 VanDerWaalsContact O-N 3.1Å; V309-E356 WeakPolarHBondContact CA-OE2 3.45Å; V309-E356 VanDerWaalsContact CB-OE2 3.27Å; V309-E356 WeakPolarHBondContact CB-OE2 3.47Å; V309-E356 WeakPolarHBondContact CG2-OE2 3.21Å; V309-E356 PolarHBondContact N-OE2 2.8Å
310C89.7Confident86.8Confident2 Ų258.3 Ų58.31%0.01433%0.328CS..G310 helixtrans-67-10174.8740000115.1R286 T289 L293 Y308 E356R286-C310 HydrophobicContact CG-CB 3.62Å; R286-C310 PolarHBondContact NE-O 2.9Å; R286-C310 PolarHBondContact NH2-O 3.28Å; T289-C310 HydrophobicContact CG2-CB 4.44Å; T289-C310 VanDerWaalsContact CG2-SG 3.55Å; L293-C310 VanDerWaalsContact CD1-SG 3.55Å; Y308-C310 PolarHBondContact O-N 2.82Å; C310-E356 VanDerWaalsContact CB-OE1 3.24Å; C310-E356 WeakPolarHBondContact CB-OE1 3.28Å; C310-E356 PolarHBondContact N-OE1 3.31Å; C310-E356 VanDerWaalsContact N-OE1 3.08Å; C310-E356 PolarHBondContact SG-OE1 3.32Å
311A88.2Confident87Confident24 Ų2453.4 Ų53.420%0.19829%0.293CS..G310 helixtrans-79.1-35.8167.900000113.1V305 Y308 V309 P313 F696V305-A311 HydrophobicContact CG1-CB 3.47Å; V305-A311 VanDerWaalsContact CG1-CB 3.47Å; Y308-A311 WeakPolarHBondContact O-CB 3.32Å; Y308-A311 PolarHBondContact O-N 2.87Å; V309-A311 PolarHBondContact O-N 3.39Å; A311-P313 WeakPolarHBondContact O-CD 3.33Å; A311-F696 HydrophobicContact CB-CD1 4.4Å; A311-F696 HydrophobicContact CB-CE1 4.04Å
312V89.6Confident87Confident56 Ų5648.7 Ų48.734%0.33928%0.282SS..SBendtrans-62.9120.7-176.5-179.60000110.4R286 V309 L314 E316 L317R286-V312 PolarHBondContact NH1-O 3.45Å; R286-V312 PolarHBondContact NH2-O 3.35Å; V309-V312 PolarHBondContact O-N 3.49Å; V309-V312 VanDerWaalsContact O-N 3.1Å; V312-L314 PolarHBondContact O-N 2.95Å; V312-E316 HydrophobicContact CG1-CB 4.36Å; V312-L317 HydrophobicContact CG1-CD2 3.98Å; V312-L317 HydrophobicContact CG1-CG 4.23Å
313P86.7Confident87Confident64 Ų6452.4 Ų52.442%0.41630%0.3SS..  trans-51.3134.4-175.3-31.537000114.5A311 K315 E316A311-P313 WeakPolarHBondContact O-CD 3.33Å; P313-K315 PolarHBondContact O-N 3.3Å; P313-E316 HydrophobicContact CB-CG 4.29Å; P313-E316 WeakPolarHBondContact CG-OE1 3.29Å; P313-E316 WeakPolarHBondContact O-CB 3.43Å; P313-E316 PolarHBondContact O-N 3.23Å
314L86.6Confident86.5Confident55 Ų5557.5 Ų57.529%0.28832%0.323SS..THydrogen-bonded Turntrans-59.2-18.1-177.6-77.9172.1000114.8F282 V312 L317 L321 G322F282-L314 HydrophobicContact CE1-CD2 3.87Å; V312-L314 PolarHBondContact O-N 2.95Å; L314-L317 HydrophobicContact CD2-CD1 4.49Å; L314-L321 HydrophobicContact CD2-CB 4.26Å; L314-G322 PolarHBondContact O-N 3.41Å
315K84.2Confident86.2Confident192 Ų19262.5 Ų62.584%0.83534%0.344SS*.THydrogen-bonded Turntrans-73.9-32.9175.2-65.5179.6-179.6175.50111.9P313P313-K315 PolarHBondContact O-N 3.3Å
316E86.9Confident86.1Confident139 Ų13960.6 Ų60.665%0.6533%0.332SS*.THydrogen-bonded Turntrans-78.6-27.4-176.5-65.6167.2-15800112.5V312 P313 G318V312-E316 HydrophobicContact CG1-CB 4.36Å; P313-E316 HydrophobicContact CB-CG 4.29Å; P313-E316 WeakPolarHBondContact CG-OE1 3.29Å; P313-E316 WeakPolarHBondContact O-CB 3.43Å; P313-E316 PolarHBondContact O-N 3.23Å; E316-G318 PolarHBondContact O-N 3.25Å
317L84.1Confident86Confident29 Ų2956.8 Ų56.815%0.15232%0.315CS..THydrogen-bonded Turntrans-74.2-6.3177.5-61.6175.8000114.2F282 V312 L314 L321 L349F282-L317 HydrophobicContact CE1-CD1 4.31Å; F282-L317 HydrophobicContact CZ-CD1 3.72Å; V312-L317 HydrophobicContact CG1-CD2 3.98Å; V312-L317 HydrophobicContact CG1-CG 4.23Å; L314-L317 HydrophobicContact CD2-CD1 4.49Å; L317-L321 HydrophobicContact CB-CD1 3.89Å; L317-L349 HydrophobicContact CD2-CD2 4.17Å
318G86.1Confident85.8Confident33 Ų3358.1 Ų58.134%0.3432%0.322SS..  trans64.7-156.1175.300000115.1E316 G320 L321E316-G318 PolarHBondContact O-N 3.25Å; G318-G320 PolarHBondContact O-N 3.22Å; G318-L321 WeakPolarHBondContact O-CB 3.28Å; G318-L321 WeakPolarHBondContact O-CG 3.36Å; G318-L321 PolarHBondContact O-N 3.49Å
319L86.4Confident85.5Confident20 Ų2065.3 Ų65.311%0.10536%0.355CS..THydrogen-bonded Turntrans52.423.4172.9-57.7173.7000115.4Y275 L321 T335 A342 M345 L346 L349Y275-L319 PolarHBondContact OH-O 3.2Å; L319-L321 VanDerWaalsContact C-N 3.28Å; L319-L321 PolarHBondContact O-N 2.81Å; L319-T335 HydrophobicContact CD2-CG2 4.18Å; L319-A342 HydrophobicContact CD2-CB 3.88Å; L319-M345 HydrophobicContact CD1-CB 4.11Å; L319-M345 HydrophobicContact CD1-CG 3.94Å; L319-M345 HydrophobicContact CD1-SD 3.87Å; L319-M345 HydrophobicContact CG-SD 4.34Å; L319-L346 HydrophobicContact CD1-CB 4.04Å; L319-L349 HydrophobicContact CD1-CD1 4.44Å
320G85.5Confident85.4Confident7 Ų767.2 Ų67.27%0.07236%0.361CS..THydrogen-bonded Turntrans72.611.1-175.900000115.3R279 R283 G318 G322 I323R279-G320 PolarHBondContact NH1-O 3.45Å; R283-G320 PolarHBondContact NH2-O 2.99Å; G318-G320 PolarHBondContact O-N 3.22Å; G320-G322 PolarHBondContact O-N 2.93Å; G320-G322 VanDerWaalsContact O-N 3.15Å; G320-I323 PolarHBondContact O-N 3.29Å; G320-I323 VanDerWaalsContact O-N 3.08Å
321L88.1Confident85.3Confident1 Ų167.2 Ų67.21%0.00536%0.362CS..THydrogen-bonded Turntrans-61.3-23.5-174.7-71.1176.8000114.2R279 F282 R283 L314 L317 G318 L319 L346 L349R279-L321 HydrophobicContact CB-CD2 4.32Å; R279-L321 HydrophobicContact CG-CD2 4.03Å; F282-L321 HydrophobicContact CD1-CD1 4.29Å; F282-L321 HydrophobicContact CD1-CD2 3.88Å; F282-L321 HydrophobicContact CE1-CD1 4.02Å; F282-L321 HydrophobicContact CE1-CD2 4.32Å; F282-L321 HydrophobicContact CZ-CD1 4.35Å; R283-L321 VanDerWaalsContact CZ-O 3.29Å; R283-L321 PolarHBondContact NE-O 3.21Å; R283-L321 PolarHBondContact NH2-O 3.28Å; L314-L321 HydrophobicContact CD2-CB 4.26Å; L317-L321 HydrophobicContact CB-CD1 3.89Å; G318-L321 WeakPolarHBondContact O-CB 3.28Å; G318-L321 WeakPolarHBondContact O-CG 3.36Å; G318-L321 PolarHBondContact O-N 3.49Å; L319-L321 VanDerWaalsContact C-N 3.28Å; L319-L321 PolarHBondContact O-N 2.81Å; L321-L346 HydrophobicContact CD1-CD1 4.47Å; L321-L346 HydrophobicContact CD2-CD1 3.89Å; L321-L349 HydrophobicContact CD1-CD1 3.68Å
322G82.5Confident85.4Confident37 Ų3769.1 Ų69.138%0.38137%0.366SS..THydrogen-bonded Turntrans-85.3-13.2173.500000117.3L314 G320L314-G322 PolarHBondContact O-N 3.41Å; G320-G322 PolarHBondContact O-N 2.93Å; G320-G322 VanDerWaalsContact O-N 3.15Å
323I84.6Confident85.3Confident81 Ų8173.5 Ų73.542%0.41538%0.383SS..  trans-97.7109.2-172.5-59.2165.9000109.9R279 R283 G320 H325 L326 L334R279-I323 PolarHBondContact NH2-O 2.99Å; R283-I323 PolarHBondContact NH1-O 3.02Å; R283-I323 VanDerWaalsContact NH2-C 3.28Å; R283-I323 PolarHBondContact NH2-O 3.03Å; G320-I323 PolarHBondContact O-N 3.29Å; G320-I323 VanDerWaalsContact O-N 3.08Å; I323-H325 WeakPolarHBondContact CG2-O 3.44Å; I323-L326 HydrophobicContact CB-CD1 4.08Å; I323-L326 HydrophobicContact CD1-CD1 3.67Å; I323-L326 HydrophobicContact CG1-CD1 4.49Å; I323-L326 HydrophobicContact CG2-CB 4.32Å; I323-L326 HydrophobicContact CG2-CD1 3.82Å; I323-L334 HydrophobicContact CD1-CD1 4.17Å
324E77.4Confident85.3Confident126 Ų12674 Ų7459%0.58938%0.382SS*.SBendtrans-54.5-63.9-172.4-65.1-138117.400112.6R279 R283 R287R279-E324 PolarHBondContact NH2-O 3.01Å; R279-E324 VanDerWaalsContact NH2-O 3.14Å; R283-E324 PolarHBondContact NH1-O 2.94Å; R287-E324 IonicContact NH2-OE1 3.55Å; R287-E324 PolarHBondContact NH2-OE1 2.9Å
325H81.6Confident85.4Confident175 Ų17571.5 Ų71.581%0.8137%0.369SS*.SBendtrans-93.6103.8173.3-60.191.1000109.4I323I323-H325 WeakPolarHBondContact CG2-O 3.44Å
326L84.4Confident85.6Confident32 Ų3268.5 Ų68.517%0.16836%0.362CS..  trans-109.5124.6174.5-167.573000109.4R279 I323 Q330 A331 L334R279-L326 VanDerWaalsContact NH1-CB 3.31Å; I323-L326 HydrophobicContact CB-CD1 4.08Å; I323-L326 HydrophobicContact CD1-CD1 3.67Å; I323-L326 HydrophobicContact CG1-CD1 4.49Å; I323-L326 HydrophobicContact CG2-CB 4.32Å; I323-L326 HydrophobicContact CG2-CD1 3.82Å; L326-Q330 HydrophobicContact CD1-CB 3.49Å; L326-Q330 VanDerWaalsContact CD1-CB 3.49Å; L326-Q330 HydrophobicContact CD1-CG 4.42Å; L326-Q330 HydrophobicContact CG-CB 4.03Å; L326-A331 HydrophobicContact CD2-CB 3.71Å; L326-A331 HydrophobicContact CG-CB 4.27Å; L326-L334 HydrophobicContact CD1-CD1 4.1Å; L326-L334 HydrophobicContact CD2-CD1 4.02Å
327G84.4Confident85.6Confident33 Ų3364.4 Ų64.434%0.3434%0.344SS..  trans-66.4158.5172.500000111.9E329 Q330 A331G327-E329 PolarHBondContact O-N 3.13Å; G327-Q330 PolarHBondContact O-N 2.74Å; G327-A331 WeakPolarHBondContact O-CB 3.38Å; G327-A331 PolarHBondContact O-N 3.14Å
328D85.1Confident85.9Confident58 Ų5863 Ų6331%0.3134%0.337SS..Hα-helixtrans-60.5-33.5178.4-103.330.7000112.1K272 R276 A331 Q332 Y338K272-D328 WeakPolarHBondContact CE-OD2 3.41Å; K272-D328 IonicContact NZ-OD2 2.73Å; K272-D328 PolarHBondContact NZ-OD2 3.49Å; R276-D328 IonicContact CZ-OD1 3.21Å; R276-D328 IonicContact NE-OD1 2.66Å; R276-D328 PolarHBondContact NE-OD1 2.99Å; R276-D328 IonicContact NH2-OD1 3.54Å; R276-D328 PolarHBondContact NH2-OD1 3.39Å; R276-D328 IonicContact NH2-OD2 3.87Å; R276-D328 PolarHBondContact NH2-OD2 2.85Å; D328-A331 PolarHBondContact O-N 2.79Å; D328-Q332 WeakPolarHBondContact O-CB 3.21Å; D328-Q332 PolarHBondContact O-N 2.81Å; D328-Y338 PolarHBondContact O-OH 2.96Å
329E84.7Confident86Confident156 Ų15662.5 Ų62.573%0.72933%0.328SS*.Hα-helixtrans-68.4-50.5179.1-61.7-179.6162.600112.1G327 A331 Q332 E333G327-E329 PolarHBondContact O-N 3.13Å; E329-A331 VanDerWaalsContact C-N 3.27Å; E329-A331 PolarHBondContact O-N 3.06Å; E329-Q332 WeakPolarHBondContact O-CB 3.43Å; E329-Q332 PolarHBondContact O-N 3.42Å; E329-Q332 VanDerWaalsContact O-N 3.09Å; E329-E333 PolarHBondContact O-N 2.82Å
330Q87.4Confident86.2Confident91 Ų9162.2 Ų62.243%0.42533%0.327SS..Hα-helixtrans-66.3-30.2174.2-67.587.537.100112.1L326 G327 Q332 L334L326-Q330 HydrophobicContact CD1-CB 3.49Å; L326-Q330 VanDerWaalsContact CD1-CB 3.49Å; L326-Q330 HydrophobicContact CD1-CG 4.42Å; L326-Q330 HydrophobicContact CG-CB 4.03Å; G327-Q330 PolarHBondContact O-N 2.74Å; Q330-Q332 VanDerWaalsContact C-N 3.3Å; Q330-L334 VanDerWaalsContact O-CB 3.24Å; Q330-L334 WeakPolarHBondContact O-CB 3.29Å; Q330-L334 WeakPolarHBondContact O-CD1 3.47Å; Q330-L334 WeakPolarHBondContact O-CG 3.36Å; Q330-L334 PolarHBondContact O-N 3.31Å
331A87.7Confident86.5Confident3 Ų366.3 Ų66.33%0.02535%0.352CS..Hα-helixtrans-65.6-36172.300000111.8Y275 L326 G327 D328 E329 T335 Y338Y275-A331 HydrophobicContact CD1-CB 4.49Å; Y275-A331 HydrophobicContact CE1-CB 3.88Å; L326-A331 HydrophobicContact CD2-CB 3.71Å; L326-A331 HydrophobicContact CG-CB 4.27Å; G327-A331 WeakPolarHBondContact O-CB 3.38Å; G327-A331 PolarHBondContact O-N 3.14Å; D328-A331 PolarHBondContact O-N 2.79Å; E329-A331 VanDerWaalsContact C-N 3.27Å; E329-A331 PolarHBondContact O-N 3.06Å; A331-T335 WeakPolarHBondContact O-CB 3.37Å; A331-T335 WeakPolarHBondContact O-CG2 3.43Å; A331-T335 PolarHBondContact O-N 2.86Å; A331-T335 PolarHBondContact O-OG1 2.81Å; A331-Y338 HydrophobicContact CB-CE1 4.14Å; A331-Y338 WeakPolarHBondContact CB-OH 3.46Å
332Q88.7Confident86.7Confident64 Ų6466.8 Ų66.830%0.29936%0.356SS..Hα-helixtrans-70-43.7177-163.2173.6-3800111.6D328 E329 Q330 T335 D336 D337 Y338D328-Q332 WeakPolarHBondContact O-CB 3.21Å; D328-Q332 PolarHBondContact O-N 2.81Å; E329-Q332 WeakPolarHBondContact O-CB 3.43Å; E329-Q332 PolarHBondContact O-N 3.42Å; E329-Q332 VanDerWaalsContact O-N 3.09Å; Q330-Q332 VanDerWaalsContact C-N 3.3Å; Q332-T335 PolarHBondContact O-N 3.47Å; Q332-D336 PolarHBondContact O-N 3.09Å; Q332-D337 WeakPolarHBondContact CG-OD1 3.31Å; Q332-D337 PolarHBondContact NE2-OD1 3.44Å; Q332-D337 PolarHBondContact O-N 2.87Å; Q332-Y338 HydrophobicContact CB-CE2 3.91Å; Q332-Y338 HydrophobicContact CG-CD2 4.27Å; Q332-Y338 HydrophobicContact CG-CE2 4.01Å
333E87.7Confident87.3Confident147 Ų14765 Ų6569%0.68734%0.338SS*.Hα-helixtrans-62-50.9174.2-174.6180-164.300111.8E329 T335 D336E329-E333 PolarHBondContact O-N 2.82Å; E333-T335 PolarHBondContact O-N 3.16Å; E333-D336 PolarHBondContact O-N 2.93Å
334L88.1Confident87.8Confident75 Ų7565 Ų6539%0.39334%0.335SS..THydrogen-bonded Turntrans-70.4-1.8-177.8-67.9171.7000114.9I323 L326 Q330I323-L334 HydrophobicContact CD1-CD1 4.17Å; L326-L334 HydrophobicContact CD1-CD1 4.1Å; L326-L334 HydrophobicContact CD2-CD1 4.02Å; Q330-L334 VanDerWaalsContact O-CB 3.24Å; Q330-L334 WeakPolarHBondContact O-CB 3.29Å; Q330-L334 WeakPolarHBondContact O-CD1 3.47Å; Q330-L334 WeakPolarHBondContact O-CG 3.36Å; Q330-L334 PolarHBondContact O-N 3.31Å
335T88.1Confident88.6Confident3 Ų364.2 Ų64.22%0.01833%0.332CS..THydrogen-bonded Turntrans-130.38.4-18063.10000114.4Y275 L319 A331 Q332 E333 Y338 S339 A342Y275-T335 HydrophobicContact CD2-CG2 3.82Å; Y275-T335 HydrophobicContact CE2-CG2 3.55Å; L319-T335 HydrophobicContact CD2-CG2 4.18Å; A331-T335 WeakPolarHBondContact O-CB 3.37Å; A331-T335 WeakPolarHBondContact O-CG2 3.43Å; A331-T335 PolarHBondContact O-N 2.86Å; A331-T335 PolarHBondContact O-OG1 2.81Å; Q332-T335 PolarHBondContact O-N 3.47Å; E333-T335 PolarHBondContact O-N 3.16Å; T335-Y338 PolarHBondContact O-N 3.12Å; T335-Y338 VanDerWaalsContact OG1-CA 3.25Å; T335-Y338 WeakPolarHBondContact OG1-CA 3.33Å; T335-Y338 PolarHBondContact OG1-N 2.99Å; T335-S339 WeakPolarHBondContact O-CB 3.49Å; T335-S339 PolarHBondContact O-N 3.4Å; T335-S339 PolarHBondContact O-OG 3.16Å; T335-A342 HydrophobicContact CG2-CB 4.32Å; T335-A342 WeakPolarHBondContact O-CB 3.44Å
336D87.4Confident89.3Confident129 Ų12955.9 Ų55.969%0.6929%0.294SS*.THydrogen-bonded Turntrans51.866.7-173.8-57.7-46.3000112.2Q332 E333 Y338 S339Q332-D336 PolarHBondContact O-N 3.09Å; E333-D336 PolarHBondContact O-N 2.93Å; D336-Y338 VanDerWaalsContact C-N 3.33Å; D336-Y338 PolarHBondContact O-N 3.15Å; D336-S339 VanDerWaalsContact O-CB 3.27Å; D336-S339 WeakPolarHBondContact O-CB 3.42Å; D336-S339 PolarHBondContact O-N 2.93Å; D336-S339 VanDerWaalsContact O-N 3.14Å
337D86.4Confident89.9Confident52 Ų5255 Ų5528%0.27829%0.289SS..THydrogen-bonded Turntrans59.535.5-175.1-74.6-17000113.9S264 Q332 S339S264-D337 WeakPolarHBondContact CB-OD2 3.35Å; S264-D337 PolarHBondContact OG-OD2 2.95Å; Q332-D337 WeakPolarHBondContact CG-OD1 3.31Å; Q332-D337 PolarHBondContact NE2-OD1 3.44Å; Q332-D337 PolarHBondContact O-N 2.87Å; D337-S339 VanDerWaalsContact C-N 3.33Å; D337-S339 PolarHBondContact O-N 2.74Å
338Y90.6Very high90.5Very high0 Ų059.5 Ų59.50%030%0.301CS..THydrogen-bonded Turntrans54.450.3-170.9-51.5-93.6000111.5M268 R271 K272 Y275 D328 A331 Q332 T335 D336 L343M268-Y338 HydrophobicContact CE-CD2 3.78Å; M268-Y338 HydrophobicContact CE-CE2 4.47Å; R271-Y338 WeakPolarHBondContact CD-O 3.39Å; R271-Y338 PolarHBondContact NH1-O 2.91Å; K272-Y338 HydrophobicContact CD-CE2 4.2Å; K272-Y338 HydrophobicContact CG-CD1 4.49Å; K272-Y338 HydrophobicContact CG-CD2 4.03Å; K272-Y338 HydrophobicContact CG-CE1 4.1Å; K272-Y338 HydrophobicContact CG-CE2 3.6Å; K272-Y338 HydrophobicContact CG-CG 4.45Å; Y275-Y338 HydrophobicContact CD1-CD1 4.3Å; Y275-Y338 AromaticContact CD1-CE1 3.73Å; Y275-Y338 HydrophobicContact CD1-CE1 3.73Å; Y275-Y338 HydrophobicContact CD2-CD1 4.47Å; Y275-Y338 HydrophobicContact CE1-CE1 4.47Å; Y275-Y338 AromaticContact CG-CD1 3.9Å; Y275-Y338 HydrophobicContact CG-CD1 3.9Å; Y275-Y338 AromaticContact CG-CE1 3.82Å; Y275-Y338 HydrophobicContact CG-CE1 3.82Å; D328-Y338 PolarHBondContact O-OH 2.96Å; A331-Y338 HydrophobicContact CB-CE1 4.14Å; A331-Y338 WeakPolarHBondContact CB-OH 3.46Å; Q332-Y338 HydrophobicContact CB-CE2 3.91Å; Q332-Y338 HydrophobicContact CG-CD2 4.27Å; Q332-Y338 HydrophobicContact CG-CE2 4.01Å; T335-Y338 PolarHBondContact O-N 3.12Å; T335-Y338 VanDerWaalsContact OG1-CA 3.25Å; T335-Y338 WeakPolarHBondContact OG1-CA 3.33Å; T335-Y338 PolarHBondContact OG1-N 2.99Å; D336-Y338 VanDerWaalsContact C-N 3.33Å; D336-Y338 PolarHBondContact O-N 3.15Å; Y338-L343 WeakPolarHBondContact O-CD1 3.39Å
339S89.2Confident90.9Very high22 Ų2258.4 Ų58.415%0.15430%0.295CS..  trans-56.7149.4-179.370.90000112.2T335 D336 D337 P341 A342 L343T335-S339 WeakPolarHBondContact O-CB 3.49Å; T335-S339 PolarHBondContact O-N 3.4Å; T335-S339 PolarHBondContact O-OG 3.16Å; D336-S339 VanDerWaalsContact O-CB 3.27Å; D336-S339 WeakPolarHBondContact O-CB 3.42Å; D336-S339 PolarHBondContact O-N 2.93Å; D336-S339 VanDerWaalsContact O-N 3.14Å; D337-S339 VanDerWaalsContact C-N 3.33Å; D337-S339 PolarHBondContact O-N 2.74Å; S339-P341 VanDerWaalsContact C-N 3.34Å; S339-A342 PolarHBondContact O-N 3.3Å; S339-A342 VanDerWaalsContact OG-CB 3.26Å; S339-A342 WeakPolarHBondContact OG-CB 3.27Å; S339-A342 PolarHBondContact OG-N 3.22Å; S339-L343 WeakPolarHBondContact O-CG 3.34Å; S339-L343 PolarHBondContact O-N 2.89Å
340L90.4Very high91.5Very high14 Ų1451 Ų517%0.07326%0.261CS..Hα-helixtrans-59.8-37.4177.1-179.464.1000112.7L231 V234 Q235 K344L231-L340 HydrophobicContact CD2-CD1 4.11Å; V234-L340 HydrophobicContact CB-CD1 4.42Å; V234-L340 HydrophobicContact CG1-CD1 4.05Å; Q235-L340 HydrophobicContact CB-CD2 3.78Å; Q235-L340 HydrophobicContact CG-CD2 3.97Å; L340-K344 HydrophobicContact CD1-CD 4.4Å; L340-K344 HydrophobicContact CD1-CG 4.34Å; L340-K344 HydrophobicContact CG-CD 4.21Å; L340-K344 WeakPolarHBondContact O-CB 3.35Å; L340-K344 VanDerWaalsContact O-CG 3.27Å; L340-K344 WeakPolarHBondContact O-CG 3.32Å; L340-K344 PolarHBondContact O-N 3.34Å
341P92.1Very high91.9Very high94 Ų9447.8 Ų47.861%0.6125%0.246SC*.Hα-helixtrans-60-47.2170.3-25.936.7000113.7S339 L343 K344 M345S339-P341 VanDerWaalsContact C-N 3.34Å; P341-L343 PolarHBondContact O-N 3.26Å; P341-K344 PolarHBondContact O-N 2.87Å; P341-M345 PolarHBondContact O-N 3.24Å
342A92.4Very high92.2Very high10 Ų1048.5 Ų48.58%0.08325%0.253CS..Hα-helixtrans-61.6-43.6178.500000112.1L319 T335 S339 K344 M345 L346L319-A342 HydrophobicContact CD2-CB 3.88Å; T335-A342 HydrophobicContact CG2-CB 4.32Å; T335-A342 WeakPolarHBondContact O-CB 3.44Å; S339-A342 PolarHBondContact O-N 3.3Å; S339-A342 VanDerWaalsContact OG-CB 3.26Å; S339-A342 WeakPolarHBondContact OG-CB 3.27Å; S339-A342 PolarHBondContact OG-N 3.22Å; A342-K344 VanDerWaalsContact C-N 3.35Å; A342-K344 PolarHBondContact O-N 3.37Å; A342-M345 PolarHBondContact O-N 2.97Å; A342-L346 WeakPolarHBondContact O-CB 3.4Å; A342-L346 PolarHBondContact O-N 2.97Å
343L94.4Very high92.5Very high0 Ų045.4 Ų45.40%024%0.239CC..Hα-helixtrans-64.9-36.4176-66.7172.5000112.5L231 R271 L274 Y338 S339 P341 F347L231-L343 HydrophobicContact CD2-CB 3.78Å; R271-L343 HydrophobicContact CB-CD1 3.96Å; R271-L343 HydrophobicContact CG-CD1 3.84Å; L274-L343 HydrophobicContact CD2-CD1 4.48Å; Y338-L343 WeakPolarHBondContact O-CD1 3.39Å; S339-L343 WeakPolarHBondContact O-CG 3.34Å; S339-L343 PolarHBondContact O-N 2.89Å; P341-L343 PolarHBondContact O-N 3.26Å; L343-F347 WeakPolarHBondContact O-CB 3.38Å; L343-F347 PolarHBondContact O-N 2.98Å
344K95.4Very high92.9Very high80 Ų8038.6 Ų38.635%0.34821%0.207SC..Hα-helixtrans-67.6-42.4173.7-78.3175.8176.7-178.10112L231 L340 P341 A342 F347 Q348L231-K344 HydrophobicContact CD2-CG 4.3Å; L340-K344 HydrophobicContact CD1-CD 4.4Å; L340-K344 HydrophobicContact CD1-CG 4.34Å; L340-K344 HydrophobicContact CG-CD 4.21Å; L340-K344 WeakPolarHBondContact O-CB 3.35Å; L340-K344 VanDerWaalsContact O-CG 3.27Å; L340-K344 WeakPolarHBondContact O-CG 3.32Å; L340-K344 PolarHBondContact O-N 3.34Å; P341-K344 PolarHBondContact O-N 2.87Å; A342-K344 VanDerWaalsContact C-N 3.35Å; A342-K344 PolarHBondContact O-N 3.37Å; K344-F347 PolarHBondContact O-N 3.45Å; K344-Q348 WeakPolarHBondContact O-CG 3.44Å; K344-Q348 PolarHBondContact O-N 3.46Å
345M95.1Very high93.2Very high110 Ų11035 Ų3554%0.54219%0.189SC..Hα-helixtrans-61.5-47.6176-176.2-175.2-67.400110.9L319 P341 A342 F347 Q348 L349L319-M345 HydrophobicContact CD1-CB 4.11Å; L319-M345 HydrophobicContact CD1-CG 3.94Å; L319-M345 HydrophobicContact CD1-SD 3.87Å; L319-M345 HydrophobicContact CG-SD 4.34Å; P341-M345 PolarHBondContact O-N 3.24Å; A342-M345 PolarHBondContact O-N 2.97Å; M345-F347 VanDerWaalsContact C-N 3.28Å; M345-F347 PolarHBondContact O-N 3.23Å; M345-Q348 PolarHBondContact O-N 3.11Å; M345-Q348 VanDerWaalsContact O-N 3.13Å; M345-L349 PolarHBondContact O-N 3.47Å
346L95.9Very high93.6Very high1 Ų135 Ų351%0.00519%0.189CC..Hα-helixtrans-59.7-38.1175.3-175.958.7000112.5Y275 L278 R279 L319 L321 A342 L349 W350Y275-L346 HydrophobicContact CD2-CD2 3.55Å; Y275-L346 HydrophobicContact CE2-CD2 4.01Å; Y275-L346 HydrophobicContact CG-CD2 4.29Å; L278-L346 HydrophobicContact CB-CD2 3.84Å; L278-L346 HydrophobicContact CB-CG 3.83Å; L278-L346 HydrophobicContact CD1-CG 4.49Å; R279-L346 HydrophobicContact CB-CD2 4.28Å; L319-L346 HydrophobicContact CD1-CB 4.04Å; L321-L346 HydrophobicContact CD1-CD1 4.47Å; L321-L346 HydrophobicContact CD2-CD1 3.89Å; A342-L346 WeakPolarHBondContact O-CB 3.4Å; A342-L346 PolarHBondContact O-N 2.97Å; L346-L349 PolarHBondContact O-N 3.12Å; L346-W350 WeakPolarHBondContact O-CB 3.19Å; L346-W350 PolarHBondContact O-N 2.87Å
347F96.8Very high93.9Very high14 Ų1429 Ų296%0.06116%0.156CC..Hα-helixtrans-66.1-37.1175.5178.6-106.1000112.8T224 A227 R228 L231 L278 L343 K344 M345 W350 L351T224-F347 HydrophobicContact CG2-CE2 4.27Å; T224-F347 HydrophobicContact CG2-CZ 4.16Å; A227-F347 HydrophobicContact CB-CD2 3.93Å; A227-F347 HydrophobicContact CB-CE2 3.8Å; R228-F347 HydrophobicContact CB-CZ 3.97Å; L231-F347 HydrophobicContact CD1-CB 3.7Å; L231-F347 HydrophobicContact CD1-CD1 3.76Å; L231-F347 HydrophobicContact CD1-CD2 4.08Å; L231-F347 HydrophobicContact CD1-CE1 4.42Å; L231-F347 HydrophobicContact CD1-CG 3.57Å; L278-F347 HydrophobicContact CD1-CB 3.98Å; L278-F347 HydrophobicContact CD1-CD2 4.26Å; L278-F347 HydrophobicContact CD2-CD2 4.1Å; L343-F347 WeakPolarHBondContact O-CB 3.38Å; L343-F347 PolarHBondContact O-N 2.98Å; K344-F347 PolarHBondContact O-N 3.45Å; M345-F347 VanDerWaalsContact C-N 3.28Å; M345-F347 PolarHBondContact O-N 3.23Å; F347-W350 PolarHBondContact O-N 2.9Å; F347-L351 HydrophobicContact CD1-CD1 4.09Å; F347-L351 HydrophobicContact CE1-CD1 3.64Å; F347-L351 HydrophobicContact CE1-CG 4.16Å; F347-L351 HydrophobicContact CZ-CD1 4.06Å; F347-L351 HydrophobicContact CZ-CD2 4.18Å; F347-L351 HydrophobicContact CZ-CG 4.17Å; F347-L351 WeakPolarHBondContact O-CG 3.33Å; F347-L351 PolarHBondContact O-N 2.97Å
348Q95.8Very high94.4Very high126 Ų12626.6 Ų26.659%0.58914%0.143SC*.Hα-helixtrans-67.1-42.8173.4-65.8-63-9.600112.1K344 M345 W350 L351 G352K344-Q348 WeakPolarHBondContact O-CG 3.44Å; K344-Q348 PolarHBondContact O-N 3.46Å; M345-Q348 PolarHBondContact O-N 3.11Å; M345-Q348 VanDerWaalsContact O-N 3.13Å; Q348-W350 VanDerWaalsContact C-N 3.3Å; Q348-W350 PolarHBondContact O-N 2.92Å; Q348-L351 WeakPolarHBondContact O-CB 3.17Å; Q348-L351 PolarHBondContact O-N 3.46Å; Q348-G352 PolarHBondContact O-N 2.93Å
349L95.3Very high94.5Very high36 Ų3626.8 Ų26.819%0.18814%0.144CC..Hα-helixtrans-60.4-40.9173.9-68.5175.8000111.7F282 L317 L319 L321 M345 L346 Q353F282-L349 HydrophobicContact CD2-CB 4.12Å; F282-L349 WeakPolarHBondContact CD2-O 3.36Å; F282-L349 HydrophobicContact CE2-CB 3.95Å; F282-L349 WeakPolarHBondContact CE2-O 3.31Å; L317-L349 HydrophobicContact CD2-CD2 4.17Å; L319-L349 HydrophobicContact CD1-CD1 4.44Å; L321-L349 HydrophobicContact CD1-CD1 3.68Å; M345-L349 PolarHBondContact O-N 3.47Å; L346-L349 PolarHBondContact O-N 3.12Å; L349-Q353 WeakPolarHBondContact O-CB 3.5Å; L349-Q353 PolarHBondContact O-N 3.03Å
350W95.6Very high94.7Very high1 Ų125.8 Ų25.80%0.00414%0.137CC..Hα-helixtrans-60-47.2172.1162.1-108.3000112.2L223 T224 L278 A281 F282 L346 F347 Q348 S354 L410L223-W350 HydrophobicContact CD2-CZ2 4.11Å; T224-W350 PolarHBondContact OG1-NE1 3.2Å; L278-W350 HydrophobicContact CD2-CB 4.12Å; L278-W350 HydrophobicContact CD2-CG 3.82Å; A281-W350 VanDerWaalsContact C-CZ3 3.44Å; A281-W350 HydrophobicContact CB-CD2 4.22Å; A281-W350 HydrophobicContact CB-CE3 3.63Å; A281-W350 HydrophobicContact CB-CH2 3.95Å; A281-W350 HydrophobicContact CB-CZ2 4.48Å; A281-W350 HydrophobicContact CB-CZ3 3.49Å; A281-W350 VanDerWaalsContact CB-CZ3 3.49Å; A281-W350 WeakPolarHBondContact O-CZ3 3.36Å; F282-W350 HydrophobicContact CB-CE3 4.48Å; L346-W350 WeakPolarHBondContact O-CB 3.19Å; L346-W350 PolarHBondContact O-N 2.87Å; F347-W350 PolarHBondContact O-N 2.9Å; Q348-W350 VanDerWaalsContact C-N 3.3Å; Q348-W350 PolarHBondContact O-N 2.92Å; W350-S354 WeakPolarHBondContact O-CB 3.24Å; W350-S354 PolarHBondContact O-N 3.39Å; W350-S354 PolarHBondContact O-OG 3Å; W350-L410 HydrophobicContact CH2-CD1 4.02Å; W350-L410 HydrophobicContact CH2-CD2 3.51Å; W350-L410 HydrophobicContact CH2-CG 4.45Å; W350-L410 HydrophobicContact CZ2-CD2 4.39Å; W350-L410 HydrophobicContact CZ3-CD2 3.98Å
351L95.8Very high94.8Very high23 Ų2325.2 Ų25.212%0.1213%0.134CC..Hα-helixtrans-55.3-55.8177.9-75.5175000111.1T224 F347 Q348 S354 S355T224-L351 HydrophobicContact CG2-CD2 3.46Å; T224-L351 VanDerWaalsContact CG2-CD2 3.46Å; F347-L351 HydrophobicContact CD1-CD1 4.09Å; F347-L351 HydrophobicContact CE1-CD1 3.64Å; F347-L351 HydrophobicContact CE1-CG 4.16Å; F347-L351 HydrophobicContact CZ-CD1 4.06Å; F347-L351 HydrophobicContact CZ-CD2 4.18Å; F347-L351 HydrophobicContact CZ-CG 4.17Å; F347-L351 WeakPolarHBondContact O-CG 3.33Å; F347-L351 PolarHBondContact O-N 2.97Å; Q348-L351 WeakPolarHBondContact O-CB 3.17Å; Q348-L351 PolarHBondContact O-N 3.46Å; L351-S354 PolarHBondContact O-N 3.44Å; L351-S354 PolarHBondContact O-OG 3.15Å; L351-S355 WeakPolarHBondContact O-CB 3.37Å; L351-S355 PolarHBondContact O-N 3.37Å
352G94.8Very high94.8Very high17 Ų1720.8 Ų20.818%0.17511%0.105CC..Hα-helixtrans-57.1-53.7179.400000112.8Q348 S354 S355 E356Q348-G352 PolarHBondContact O-N 2.93Å; G352-S354 VanDerWaalsContact C-N 3.32Å; G352-S354 PolarHBondContact O-N 3.31Å; G352-S355 PolarHBondContact O-N 3.36Å; G352-E356 WeakPolarHBondContact O-CB 3.33Å; G352-E356 PolarHBondContact O-N 2.92Å
353Q95.4Very high94.7Very high0 Ų020.6 Ų20.60%010%0.103CC..Hα-helixtrans-67.6-30.1-177.2-173.565.289.300113.5F282 S285 R286 L349 E356 C357F282-Q353 HydrophobicContact CD2-CB 3.52Å; F282-Q353 HydrophobicContact CD2-CG 3.88Å; F282-Q353 HydrophobicContact CE2-CB 3.43Å; F282-Q353 VanDerWaalsContact CE2-CB 3.43Å; F282-Q353 HydrophobicContact CE2-CG 3.78Å; F282-Q353 HydrophobicContact CZ-CB 4.36Å; F282-Q353 HydrophobicContact CZ-CG 4.3Å; S285-Q353 WeakPolarHBondContact OG-CG 3.42Å; R286-Q353 HydrophobicContact CB-CG 3.91Å; L349-Q353 WeakPolarHBondContact O-CB 3.5Å; L349-Q353 PolarHBondContact O-N 3.03Å; Q353-E356 VanDerWaalsContact NE2-CD 3.32Å; Q353-E356 PolarHBondContact NE2-OE1 3.5Å; Q353-C357 VanDerWaalsContact O-CB 3.31Å; Q353-C357 WeakPolarHBondContact O-CB 3.48Å; Q353-C357 PolarHBondContact O-N 3.04Å; Q353-C357 VanDerWaalsContact O-N 3.16Å
354S95.6Very high94.4Very high3 Ų321.6 Ų21.62%0.02111%0.108CC..Hα-helixtrans-69.2-47.2173.772.30000110.9W350 L351 G352 C357 F358W350-S354 WeakPolarHBondContact O-CB 3.24Å; W350-S354 PolarHBondContact O-N 3.39Å; W350-S354 PolarHBondContact O-OG 3Å; L351-S354 PolarHBondContact O-N 3.44Å; L351-S354 PolarHBondContact O-OG 3.15Å; G352-S354 VanDerWaalsContact C-N 3.32Å; G352-S354 PolarHBondContact O-N 3.31Å; S354-C357 WeakPolarHBondContact O-CB 3.33Å; S354-C357 PolarHBondContact O-N 3.35Å; S354-F358 WeakPolarHBondContact O-CD2 3.44Å; S354-F358 PolarHBondContact O-N 3.47Å
355S95.7Very high94Very high0 Ų017.9 Ų17.90%09%0.092CC..Hα-helixtrans-61.2-49178.1-178.60000111.7L107 L108 D111 L351 G352 C357 F358 R359L107-S355 WeakPolarHBondContact CA-OG 3.33Å; L107-S355 WeakPolarHBondContact CD2-O 3.15Å; L108-S355 PolarHBondContact N-OG 3.5Å; D111-S355 WeakPolarHBondContact CB-OG 3.38Å; D111-S355 VanDerWaalsContact CG-OG 3.27Å; D111-S355 WeakPolarHBondContact OD2-CB 3.45Å; D111-S355 PolarHBondContact OD2-OG 2.84Å; L351-S355 WeakPolarHBondContact O-CB 3.37Å; L351-S355 PolarHBondContact O-N 3.37Å; G352-S355 PolarHBondContact O-N 3.36Å; S355-C357 VanDerWaalsContact C-N 3.3Å; S355-C357 PolarHBondContact O-N 3.29Å; S355-F358 CarbonylContact O-C 3.5Å; S355-F358 PolarHBondContact O-N 2.82Å; S355-R359 PolarHBondContact O-N 3.29Å
356E94.9Very high93.4Very high4 Ų412.7 Ų12.72%0.0197%0.067CC..Hα-helixtrans-52.2-45.6172.1173.7-177.9126.500112.6T289 Y308 V309 C310 G352 Q353 F358 R359 R360T289-E356 HydrophobicContact CG2-CG 4.15Å; Y308-E356 WeakPolarHBondContact CA-OE2 3.39Å; Y308-E356 HydrophobicContact CD1-CG 3.65Å; Y308-E356 HydrophobicContact CE1-CG 4.17Å; V309-E356 WeakPolarHBondContact CA-OE2 3.45Å; V309-E356 VanDerWaalsContact CB-OE2 3.27Å; V309-E356 WeakPolarHBondContact CB-OE2 3.47Å; V309-E356 WeakPolarHBondContact CG2-OE2 3.21Å; V309-E356 PolarHBondContact N-OE2 2.8Å; C310-E356 VanDerWaalsContact CB-OE1 3.24Å; C310-E356 WeakPolarHBondContact CB-OE1 3.28Å; C310-E356 PolarHBondContact N-OE1 3.31Å; C310-E356 VanDerWaalsContact N-OE1 3.08Å; C310-E356 PolarHBondContact SG-OE1 3.32Å; G352-E356 WeakPolarHBondContact O-CB 3.33Å; G352-E356 PolarHBondContact O-N 2.92Å; Q353-E356 VanDerWaalsContact NE2-CD 3.32Å; Q353-E356 PolarHBondContact NE2-OE1 3.5Å; E356-F358 VanDerWaalsContact C-N 3.34Å; E356-F358 PolarHBondContact O-N 3.16Å; E356-R359 PolarHBondContact O-N 2.88Å; E356-R360 WeakPolarHBondContact O-CB 3.28Å; E356-R360 PolarHBondContact O-N 3.05Å
357C95.3Very high92Very high1 Ų113.5 Ų13.51%0.0077%0.072CC..Hα-helixtrans-62.5-41.5178.6-175.80000111.4T289 Q353 S354 S355 L361T289-C357 WeakPolarHBondContact OG1-CA 3.42Å; T289-C357 VanDerWaalsContact OG1-CB 3.29Å; T289-C357 WeakPolarHBondContact OG1-CB 3.34Å; Q353-C357 VanDerWaalsContact O-CB 3.31Å; Q353-C357 WeakPolarHBondContact O-CB 3.48Å; Q353-C357 PolarHBondContact O-N 3.04Å; Q353-C357 VanDerWaalsContact O-N 3.16Å; S354-C357 WeakPolarHBondContact O-CB 3.33Å; S354-C357 PolarHBondContact O-N 3.35Å; S355-C357 VanDerWaalsContact C-N 3.3Å; S355-C357 PolarHBondContact O-N 3.29Å; C357-L361 VanDerWaalsContact O-CB 3.27Å; C357-L361 WeakPolarHBondContact O-CB 3.37Å; C357-L361 PolarHBondContact O-N 2.97Å
358F95.2Very high90.2Very high3 Ų316.9 Ų16.91%0.0139%0.087CC..Hα-helixtrans-74.7-33.6177.5-72.3-66.9000112.9I101 V106 L107 L216 V217 S220 S354 S355 E356 L361 A362I101-F358 HydrophobicContact CD1-CD1 4.43Å; I101-F358 HydrophobicContact CG1-CD1 4.28Å; I101-F358 HydrophobicContact CG2-CB 3.96Å; V106-F358 HydrophobicContact CB-CD2 4.49Å; V106-F358 HydrophobicContact CG1-CD2 3.4Å; V106-F358 VanDerWaalsContact CG1-CD2 3.4Å; V106-F358 HydrophobicContact CG1-CE2 3.66Å; V106-F358 HydrophobicContact CG1-CG 4.16Å; L107-F358 HydrophobicContact CD2-CB 3.77Å; L216-F358 HydrophobicContact CD1-CZ 4.38Å; L216-F358 HydrophobicContact CG-CE1 4.21Å; L216-F358 HydrophobicContact CG-CZ 4.27Å; V217-F358 HydrophobicContact CB-CE1 4.48Å; V217-F358 HydrophobicContact CG2-CD1 4.14Å; V217-F358 HydrophobicContact CG2-CE1 3.76Å; S220-F358 WeakPolarHBondContact OG-CE2 3.5Å; S354-F358 WeakPolarHBondContact O-CD2 3.44Å; S354-F358 PolarHBondContact O-N 3.47Å; S355-F358 CarbonylContact O-C 3.5Å; S355-F358 PolarHBondContact O-N 2.82Å; E356-F358 VanDerWaalsContact C-N 3.34Å; E356-F358 PolarHBondContact O-N 3.16Å; F358-L361 HydrophobicContact CD1-CD2 4.31Å; F358-L361 PolarHBondContact O-N 3.49Å; F358-A362 WeakPolarHBondContact O-CB 3.49Å; F358-A362 PolarHBondContact O-N 3Å
359R93.9Very high88.5Confident4 Ų414.8 Ų14.82%0.0157%0.074CC..Hα-helixtrans-60.8-50.7169.1169.1172.153.7841.1110.9L107 D111 I115 N307 S355 E356 L361 A362 L363L107-R359 HydrophobicContact CD2-CB 4.26Å; D111-R359 HydrophobicContact CB-CB 4.35Å; D111-R359 IonicContact OD1-CZ 2.67Å; D111-R359 VanDerWaalsContact OD1-CZ 3.25Å; D111-R359 IonicContact OD1-NE 3.6Å; D111-R359 PolarHBondContact OD1-NE 2.91Å; D111-R359 IonicContact OD1-NH2 2.7Å; D111-R359 PolarHBondContact OD1-NH2 3.31Å; I115-R359 HydrophobicContact CD1-CB 4.25Å; I115-R359 HydrophobicContact CD1-CG 4.05Å; I115-R359 HydrophobicContact CG1-CG 3.82Å; N307-R359 PolarHBondContact O-NH2 3.06Å; S355-R359 PolarHBondContact O-N 3.29Å; E356-R359 PolarHBondContact O-N 2.88Å; R359-L361 VanDerWaalsContact C-N 3.25Å; R359-L361 PolarHBondContact O-N 3.4Å; R359-A362 PolarHBondContact O-N 2.93Å; R359-A362 VanDerWaalsContact O-N 3.15Å; R359-L363 HydrophobicContact CG-CD1 3.78Å; R359-L363 HydrophobicContact CG-CG 4.41Å; R359-L363 WeakPolarHBondContact O-CG 3.11Å; R359-L363 PolarHBondContact O-N 3.35Å
360R93.1Very high86.6Confident0 Ų015.4 Ų15.40%08%0.08CC..Hα-helixtrans-61.4-37179.5-170.455.8168.376.6-2111.6T289 M292 F296 D303 Y308 E356 L364T289-R360 HydrophobicContact CG2-CB 4.34Å; T289-R360 HydrophobicContact CG2-CG 4.48Å; M292-R360 HydrophobicContact CB-CG 4.07Å; M292-R360 HydrophobicContact CE-CB 4.03Å; M292-R360 HydrophobicContact CE-CG 4.16Å; M292-R360 HydrophobicContact SD-CG 4.47Å; F296-R360 PolarHBondContact O-NH1 2.89Å; F296-R360 PolarHBondContact O-NH2 2.94Å; D303-R360 IonicContact OD1-CZ 2.95Å; D303-R360 IonicContact OD1-NE 2.62Å; D303-R360 PolarHBondContact OD1-NE 2.88Å; D303-R360 IonicContact OD1-NH2 2.95Å; D303-R360 PolarHBondContact OD1-NH2 3.2Å; D303-R360 IonicContact OD2-CZ 3.54Å; D303-R360 IonicContact OD2-NH2 3.27Å; D303-R360 PolarHBondContact OD2-NH2 3.18Å; Y308-R360 HydrophobicContact CE1-CB 4.25Å; Y308-R360 HydrophobicContact CE1-CG 4.35Å; Y308-R360 WeakPolarHBondContact OH-CD 3.36Å; E356-R360 WeakPolarHBondContact O-CB 3.28Å; E356-R360 PolarHBondContact O-N 3.05Å; R360-L364 WeakPolarHBondContact O-CG 3.39Å; R360-L364 PolarHBondContact O-N 3.44Å; R360-L364 VanDerWaalsContact O-N 3.08Å
361L92.5Very high84.5Confident3 Ų321.4 Ų21.42%0.01611%0.106CC..Hα-helixtrans-68-41174.7-174.860.1000112.4I101 L213 M292 C357 F358 R359 L364 L365 V399 T403I101-L361 HydrophobicContact CD1-CB 4.46Å; I101-L361 HydrophobicContact CD1-CD2 4.27Å; I101-L361 HydrophobicContact CD1-CG 4.23Å; L213-L361 HydrophobicContact CD1-CD2 3.75Å; M292-L361 HydrophobicContact CE-CB 4.45Å; M292-L361 HydrophobicContact SD-CB 4.07Å; M292-L361 HydrophobicContact SD-CD1 4.01Å; C357-L361 VanDerWaalsContact O-CB 3.27Å; C357-L361 WeakPolarHBondContact O-CB 3.37Å; C357-L361 PolarHBondContact O-N 2.97Å; F358-L361 HydrophobicContact CD1-CD2 4.31Å; F358-L361 PolarHBondContact O-N 3.49Å; R359-L361 VanDerWaalsContact C-N 3.25Å; R359-L361 PolarHBondContact O-N 3.4Å; L361-L364 PolarHBondContact O-N 2.92Å; L361-L365 HydrophobicContact CD1-CD1 3.85Å; L361-L365 HydrophobicContact CD1-CG 4.38Å; L361-L365 HydrophobicContact CG-CD1 3.88Å; L361-L365 WeakPolarHBondContact O-CB 3.14Å; L361-L365 WeakPolarHBondContact O-CD1 3.14Å; L361-L365 WeakPolarHBondContact O-CG 3.33Å; L361-L365 PolarHBondContact O-N 3.5Å; L361-L365 VanDerWaalsContact O-N 3.14Å; L361-V399 HydrophobicContact CD1-CG1 3.7Å; L361-T403 HydrophobicContact CD1-CG2 4.32Å; L361-T403 HydrophobicContact CD2-CG2 4.19Å
362A91.8Very high82.3Confident0 Ų024.7 Ų24.70%012%0.121CC..Hα-helixtrans-63.5-43.7175.600000111.9V98 I101 F358 R359 L364 L365 S366V98-A362 HydrophobicContact CG2-CB 4.42Å; V98-A362 WeakPolarHBondContact CG2-O 3.23Å; I101-A362 HydrophobicContact CD1-CB 4.14Å; I101-A362 HydrophobicContact CG2-CB 4.46Å; F358-A362 WeakPolarHBondContact O-CB 3.49Å; F358-A362 PolarHBondContact O-N 3Å; R359-A362 PolarHBondContact O-N 2.93Å; R359-A362 VanDerWaalsContact O-N 3.15Å; A362-L364 PolarHBondContact O-N 3.3Å; A362-L365 CarbonylContact O-C 3.59Å; A362-L365 PolarHBondContact O-N 3.47Å; A362-S366 PolarHBondContact O-N 3.02Å
363L89.8Confident80.1Confident7 Ų727.9 Ų27.94%0.03714%0.14CC..Hα-helixtrans-64.5-35.7176.8-67.3168.2000112.4L118 D119 L122 L298 V302 R359 L365 S366L118-L363 HydrophobicContact CB-CD2 4.41Å; L118-L363 HydrophobicContact CD1-CD1 4.2Å; D119-L363 HydrophobicContact CB-CD2 4.16Å; L122-L363 HydrophobicContact CD1-CD2 4.03Å; L298-L363 HydrophobicContact CD1-CB 4.1Å; V302-L363 HydrophobicContact CG1-CD1 3.84Å; R359-L363 HydrophobicContact CG-CD1 3.78Å; R359-L363 HydrophobicContact CG-CG 4.41Å; R359-L363 WeakPolarHBondContact O-CG 3.11Å; R359-L363 PolarHBondContact O-N 3.35Å; L363-L365 VanDerWaalsContact C-N 3.27Å; L363-L365 PolarHBondContact O-N 3.34Å; L363-S366 WeakPolarHBondContact O-CB 3.43Å; L363-S366 PolarHBondContact O-N 3.01Å
364L88.4Confident77.8Confident20 Ų2033.1 Ų33.111%0.10517%0.165CC..Hα-helixtrans-65-29.7170.6-80.4177.1000114M292 F296 L298 R360 L361 A362 S366M292-L364 HydrophobicContact CB-CD1 3.85Å; M292-L364 HydrophobicContact CG-CD1 3.63Å; M292-L364 HydrophobicContact SD-CD1 3.61Å; F296-L364 HydrophobicContact CB-CD1 4.3Å; F296-L364 HydrophobicContact CB-CD2 3.52Å; F296-L364 HydrophobicContact CD2-CD1 4.24Å; F296-L364 HydrophobicContact CG-CD2 4.39Å; L298-L364 HydrophobicContact CD1-CD2 4.43Å; L298-L364 HydrophobicContact CD2-CD2 4.25Å; L298-L364 HydrophobicContact CG-CD2 4.36Å; R360-L364 WeakPolarHBondContact O-CG 3.39Å; R360-L364 PolarHBondContact O-N 3.44Å; R360-L364 VanDerWaalsContact O-N 3.08Å; L361-L364 PolarHBondContact O-N 2.92Å; A362-L364 PolarHBondContact O-N 3.3Å; L364-S366 VanDerWaalsContact C-N 3.34Å
365L87.2Confident75.2Confident3 Ų339.7 Ų39.72%0.01620%0.195CC..THydrogen-bonded Turntrans-95.89.2-175.5-65.5173.1000112.3F93 G94 V98 L213 L361 A362 L363 V399F93-L365 HydrophobicContact CD1-CD2 4.07Å; F93-L365 HydrophobicContact CE1-CD2 3.63Å; G94-L365 CarbonylContact C-O 3.52Å; G94-L365 VanDerWaalsContact CA-O 3.27Å; G94-L365 WeakPolarHBondContact CA-O 3.11Å; V98-L365 HydrophobicContact CG2-CB 3.98Å; L213-L365 HydrophobicContact CD2-CD1 4.1Å; L361-L365 HydrophobicContact CD1-CD1 3.85Å; L361-L365 HydrophobicContact CD1-CG 4.38Å; L361-L365 HydrophobicContact CG-CD1 3.88Å; L361-L365 WeakPolarHBondContact O-CB 3.14Å; L361-L365 WeakPolarHBondContact O-CD1 3.14Å; L361-L365 WeakPolarHBondContact O-CG 3.33Å; L361-L365 PolarHBondContact O-N 3.5Å; L361-L365 VanDerWaalsContact O-N 3.14Å; A362-L365 CarbonylContact O-C 3.59Å; A362-L365 PolarHBondContact O-N 3.47Å; L363-L365 VanDerWaalsContact C-N 3.27Å; L363-L365 PolarHBondContact O-N 3.34Å; L365-V399 HydrophobicContact CD2-CG2 4.14Å
366S82.5Confident72.5Confident1 Ų143 Ų431%0.00723%0.229CC..  trans-61.7129.5178.3174.80000112.3D119 A362 L363 L364 H368 R369D119-S366 WeakPolarHBondContact OD2-CB 3.19Å; D119-S366 PolarHBondContact OD2-OG 3.07Å; A362-S366 PolarHBondContact O-N 3.02Å; L363-S366 WeakPolarHBondContact O-CB 3.43Å; L363-S366 PolarHBondContact O-N 3.01Å; L364-S366 VanDerWaalsContact C-N 3.34Å; S366-H368 PolarHBondContact O-N 3.16Å; S366-H368 PolarHBondContact OG-N 2.92Å; S366-R369 PolarHBondContact O-N 3.32Å
367P65.7Low70.1Confident18 Ų1851 Ų5112%0.11726%0.259CS..THydrogen-bonded Turntrans-76.1-4.6178.432.6-36000114.3Q95 L125 T370Q95-P367 HydrophobicContact CG-CB 3.97Å; Q95-P367 HydrophobicContact CG-CG 3.99Å; L125-P367 HydrophobicContact CD1-CG 3.76Å; P367-T370 PolarHBondContact O-OG1 2.99Å
368H59.3Low67.5Low84 Ų8456.2 Ų56.239%0.38929%0.291SS..THydrogen-bonded Turntrans-74-36.4169.1-88.392.7000111.3S121 S366 T370 K371 E372S121-H368 PolarHBondContact OG-CE1 2.9Å; S121-H368 PolarHBondContact OG-ND1 2.82Å; S366-H368 PolarHBondContact O-N 3.16Å; S366-H368 PolarHBondContact OG-N 2.92Å; H368-T370 VanDerWaalsContact C-N 3.34Å; H368-T370 PolarHBondContact O-N 3.28Å; H368-K371 PolarHBondContact O-N 2.93Å; H368-K371 VanDerWaalsContact O-N 3.09Å; H368-E372 PolarHBondContact O-N 3.11Å
369R60.9Low65Low83 Ų8364.9 Ų64.931%0.31333%0.329SS..Hα-helixtrans-67.2-28.3-177.9-63-55.9-173.6179.9-1.6114.5N299 S366 K371 E372 S373N299-R369 PolarHBondContact OD1-NH2 3.39Å; S366-R369 PolarHBondContact O-N 3.32Å; R369-K371 PolarHBondContact O-N 2.96Å; R369-E372 WeakPolarHBondContact CD-OE2 3.43Å; R369-E372 IonicContact CZ-OE2 2.97Å; R369-E372 IonicContact NE-OE2 2.67Å; R369-E372 IonicContact NH1-OE1 2.68Å; R369-E372 IonicContact NH1-OE2 3.16Å; R369-E372 PolarHBondContact NH1-OE2 3.48Å; R369-S373 WeakPolarHBondContact O-CB 3.44Å; R369-S373 PolarHBondContact O-N 3.09Å
370T54.8Low62.4Low49 Ų4973.6 Ų73.630%0.30137%0.37SS..Hα-helixtrans-69.8-13.8174.746.70000113.5P367 H368 L395P367-T370 PolarHBondContact O-OG1 2.99Å; H368-T370 VanDerWaalsContact C-N 3.34Å; H368-T370 PolarHBondContact O-N 3.28Å; T370-L395 HydrophobicContact CG2-CD1 3.7Å
371K51.1Low59.6Low126 Ų12681.1 Ų81.155%0.54841%0.41SS..Hα-helixtrans-94.5-47.8174.6-59.5176.6-176.6172.80112H368 R369 S373 E374 E375H368-K371 PolarHBondContact O-N 2.93Å; H368-K371 VanDerWaalsContact O-N 3.09Å; R369-K371 PolarHBondContact O-N 2.96Å; K371-S373 PolarHBondContact O-N 2.86Å; K371-E374 PolarHBondContact O-N 3.42Å; K371-E375 PolarHBondContact O-N 2.87Å; K371-E375 VanDerWaalsContact O-N 3.16Å
372E49.9Very low57.1Low93 Ų9388.6 Ų88.644%0.43545%0.449SS..Hα-helixtrans-58.9-35-179.7-66.9175.9163.400112.8H368 R369 E374 E375 G376H368-E372 PolarHBondContact O-N 3.11Å; R369-E372 WeakPolarHBondContact CD-OE2 3.43Å; R369-E372 IonicContact CZ-OE2 2.97Å; R369-E372 IonicContact NE-OE2 2.67Å; R369-E372 IonicContact NH1-OE1 2.68Å; R369-E372 IonicContact NH1-OE2 3.16Å; R369-E372 PolarHBondContact NH1-OE2 3.48Å; E372-E374 PolarHBondContact O-N 3.03Å; E372-E375 PolarHBondContact O-N 2.91Å; E372-G376 PolarHBondContact O-N 3.48Å
373S48.8Very low54.6Low84 Ų8494.3 Ų94.359%0.58749%0.486SS*.Hα-helixtrans-64.3-19.1175.6-169.30000113.9R369 K371R369-S373 WeakPolarHBondContact O-CB 3.44Å; R369-S373 PolarHBondContact O-N 3.09Å; K371-S373 PolarHBondContact O-N 2.86Å
374E46.7Very low52Low110 Ų110101.2 Ų101.251%0.51452%0.522SS..Hα-helixtrans-93.2-41.1171.8-62.5-156.6132.500112.3Q87 K371 E372 R377Q87-E374 PolarHBondContact NE2-OE1 3.26Å; K371-E374 PolarHBondContact O-N 3.42Å; E372-E374 PolarHBondContact O-N 3.03Å; E374-R377 PolarHBondContact O-N 2.89Å
375E41.7Very low49.8Very low141 Ų141106.5 Ų106.566%0.65956%0.557SS**Hα-helixtrans-71.1-39.7-175.7-70.4179.1149.600112.6K371 E372 R377 T378K371-E375 PolarHBondContact O-N 2.87Å; K371-E375 VanDerWaalsContact O-N 3.16Å; E372-E375 PolarHBondContact O-N 2.91Å; E375-R377 PolarHBondContact O-N 3.32Å; E375-T378 PolarHBondContact O-N 2.9Å; E375-T378 VanDerWaalsContact O-N 3.16Å; E375-T378 PolarHBondContact O-OG1 2.94Å
376G38.5Very low47.2Very low70 Ų70111 Ų11172%0.72259%0.589SS**THydrogen-bonded Turntrans-62.6-4.9176.800000115.3E372E372-G376 PolarHBondContact O-N 3.48Å
377R44.3Very low44.7Very low170 Ų170116 Ų11664%0.64262%0.624SS**THydrogen-bonded Turntrans-97.2-0.7177.2-106-179.3175.2177.7-1.7115.1E374 E375E374-R377 PolarHBondContact O-N 2.89Å; E375-R377 PolarHBondContact O-N 3.32Å
378T40.8Very low43.3Very low112 Ų112121.4 Ų121.469%0.68766%0.659SS**SBendtrans-118.4-1.4-167.854.70000116.7E375E375-T378 PolarHBondContact O-N 2.9Å; E375-T378 VanDerWaalsContact O-N 3.16Å; E375-T378 PolarHBondContact O-OG1 2.94Å
379K43.6Very low42.1Very low184 Ų184121.5 Ų121.580%0.867%0.669SS**SBendtrans-139.8133.1170.8-67.6-178.5-177.7170.20110.7
380E39.7Very low41.1Very low188 Ų188124.9 Ų124.988%0.87969%0.693SS**SBendtrans63.959.7172.2-56.8-171.5158.600117
381D34.3Very low40.9Very low157 Ų157125.6 Ų125.684%0.8470%0.698SS**  trans-148.9125.9142.5-106.7-32.1000110.6P383D381-P383 WeakPolarHBondContact O-CD 3.32Å
382I40.2Very low41.3Very low161 Ų161124 Ų12483%0.82670%0.701SS**  trans-84.3113.6175.9-62.6172.9000107.5L384I382-L384 PolarHBondContact O-N 3.06Å; I382-L384 VanDerWaalsContact O-N 3.07Å
383P39.1Very low42Very low120 Ų120123.7 Ų123.778%0.77971%0.707SS**  trans-73.1109.3-173.4-16.832000111.8D381D381-P383 WeakPolarHBondContact O-CD 3.32Å
384L34.5Very low43.1Very low152 Ų152120.7 Ų120.780%0.79669%0.685SS**  trans-66.6135.5159.2-87.6141.1000109.2I382 S386I382-L384 PolarHBondContact O-N 3.06Å; I382-L384 VanDerWaalsContact O-N 3.07Å; L384-S386 PolarHBondContact O-N 3.01Å
385P41.9Very low44.4Very low131 Ų131118 Ų11885%0.85167%0.674SS**SBendtrans-82.481-169.432.9-36.3000112.2
386S32.3Very low46.1Very low97 Ų97111.4 Ų111.468%0.67864%0.643SS**  trans-144.2122.3170.250.70000112.6L384L384-S386 PolarHBondContact O-N 3.01Å
387S30.3Very low48.1Very low107 Ų107112.5 Ų112.575%0.74863%0.625SS**  trans73.6124.3-178.879.10000117S389S387-S389 PolarHBondContact O-N 2.87Å; S387-S389 VanDerWaalsContact O-N 3.14Å
388P36.4Very low49.9Very low130 Ų130105.2 Ų105.284%0.84460%0.601SS**  trans-8091.2170.132.2-31.4000109.4L390P388-L390 PolarHBondContact O-N 3.39Å; P388-L390 VanDerWaalsContact O-N 3.12Å
389S34.9Very low52Low87 Ų87100.1 Ų100.161%0.60857%0.569SS**PPolyproline II helixtrans-58.5117.2177.862.80000111.4S387S387-S389 PolarHBondContact O-N 2.87Å; S387-S389 VanDerWaalsContact O-N 3.14Å
390L39.1Very low54Low153 Ų15392.2 Ų92.280%0.80154%0.539SS*.PPolyproline II helixtrans-60.6140170.3-124.570.2000108.5P388P388-L390 PolarHBondContact O-N 3.39Å; P388-L390 VanDerWaalsContact O-N 3.12Å
391P50.9Low56.2Low65 Ų6586.2 Ų86.242%0.42252%0.521SS..PPolyproline II helixtrans-59.4141.7169.426.1-33.8000109.6
392P58.8Low58.8Low92 Ų9279 Ų7960%0.59748%0.482SS*.PPolyproline II helixtrans-59.3148.3-179.624.8-33.9000111
393P66.2Low61.3Low87 Ų8772 Ų7257%0.56545%0.447SS*.PPolyproline II helixtrans-62.7148.5175.927.7-34.5000110.7
394P70.1Confident63.8Low20 Ų2068.8 Ų68.813%0.1342%0.422CS..PPolyproline II helixtrans-65.2150-177.729.2-37000111.9E86 D90 H396 R397 S398E86-P394 HydrophobicContact CG-CB 3.89Å; E86-P394 HydrophobicContact CG-CG 4.16Å; D90-P394 VanDerWaalsContact OD2-CA 3.32Å; D90-P394 WeakPolarHBondContact OD2-CA 3.4Å; D90-P394 WeakPolarHBondContact OD2-CB 3.01Å; P394-H396 PolarHBondContact O-N 2.96Å; P394-R397 HydrophobicContact CG-CB 4.12Å; P394-R397 HydrophobicContact CG-CG 3.94Å; P394-R397 WeakPolarHBondContact O-CA 3.19Å; P394-R397 WeakPolarHBondContact O-CB 3.24Å; P394-R397 PolarHBondContact O-N 2.88Å; P394-S398 PolarHBondContact O-N 3.19Å; P394-S398 VanDerWaalsContact O-N 3.14Å
395L75.4Confident66.6Low54 Ų5465.2 Ų65.228%0.28341%0.408SS..Hα-helixtrans-61.3-41.2-167.7-66.5175.4000112.3D90 T370 R397 S398 V399D90-L395 HydrophobicContact CB-CB 4.46Å; D90-L395 PolarHBondContact OD1-N 3.41Å; D90-L395 PolarHBondContact OD2-N 2.85Å; T370-L395 HydrophobicContact CG2-CD1 3.7Å; L395-R397 PolarHBondContact O-N 2.65Å; L395-S398 PolarHBondContact O-N 2.84Å; L395-S398 PolarHBondContact O-OG 2.96Å; L395-V399 WeakPolarHBondContact O-CB 3.38Å; L395-V399 WeakPolarHBondContact O-CG2 3.26Å; L395-V399 PolarHBondContact O-N 2.99Å
396H77.7Confident69.1Low2 Ų259.1 Ų59.11%0.00937%0.368CS..Hα-helixtrans-59.2-29.117569.7-83.1000113D90 F93 V206 R209 P394D90-H396 IonicContact OD1-CE1 2.79Å; D90-H396 IonicContact OD1-CG 2.69Å; D90-H396 PolarHBondContact OD1-N 3.18Å; D90-H396 IonicContact OD1-ND1 3.46Å; D90-H396 PolarHBondContact OD1-ND1 3.41Å; F93-H396 HydrophobicContact CD1-CB 4.09Å; F93-H396 HydrophobicContact CD2-CB 4.47Å; F93-H396 HydrophobicContact CE1-CB 4.2Å; F93-H396 HydrophobicContact CG-CB 4.24Å; F93-H396 HydrophobicContact CZ-CB 4.47Å; V206-H396 HydrophobicContact CG2-CB 4.23Å; R209-H396 VanDerWaalsContact CD-O 3.32Å; R209-H396 WeakPolarHBondContact CD-O 3.47Å; R209-H396 PolarHBondContact NH1-O 2.78Å; P394-H396 PolarHBondContact O-N 2.96Å
397R80.3Confident72.1Confident93 Ų9356.2 Ų56.235%0.35134%0.344SS..Hα-helixtrans-79.3-44.4176.1-70.2-165.8-168.3104.231.6112.9E86 P394 L395E86-R397 IonicContact OE1-CZ 2.93Å; E86-R397 IonicContact OE1-NH1 3.63Å; E86-R397 PolarHBondContact OE1-NH1 3.05Å; E86-R397 IonicContact OE1-NH2 3.9Å; E86-R397 PolarHBondContact OE1-NH2 3.03Å; P394-R397 HydrophobicContact CG-CB 4.12Å; P394-R397 HydrophobicContact CG-CG 3.94Å; P394-R397 WeakPolarHBondContact O-CA 3.19Å; P394-R397 WeakPolarHBondContact O-CB 3.24Å; P394-R397 PolarHBondContact O-N 2.88Å; L395-R397 PolarHBondContact O-N 2.65Å
398S81.2Confident75.2Confident17 Ų1756.5 Ų56.512%0.11933%0.333CS..Hα-helixtrans-70.8-41.3-175.664.70000112.4P394 L395 A400 A401P394-S398 PolarHBondContact O-N 3.19Å; P394-S398 VanDerWaalsContact O-N 3.14Å; L395-S398 PolarHBondContact O-N 2.84Å; L395-S398 PolarHBondContact O-OG 2.96Å; S398-A400 VanDerWaalsContact C-N 3.27Å; S398-A400 PolarHBondContact O-N 3.36Å; S398-A401 PolarHBondContact O-N 3.06Å
399V85.1Confident78.1Confident5 Ų551.3 Ų51.33%0.0330%0.301CS..Hα-helixtrans-65.3-28.5179.8171.50000112.6L361 L365 L395 A401 V402 T403L361-V399 HydrophobicContact CD1-CG1 3.7Å; L365-V399 HydrophobicContact CD2-CG2 4.14Å; L395-V399 WeakPolarHBondContact O-CB 3.38Å; L395-V399 WeakPolarHBondContact O-CG2 3.26Å; L395-V399 PolarHBondContact O-N 2.99Å; V399-A401 PolarHBondContact O-N 3.47Å; V399-V402 WeakPolarHBondContact O-CB 3.11Å; V399-V402 PolarHBondContact O-N 2.95Å; V399-T403 HydrophobicContact CG1-CG2 3.67Å; V399-T403 PolarHBondContact O-N 3.35Å; V399-T403 PolarHBondContact O-OG1 2.82Å
400A85.6Confident81Confident19 Ų1947.2 Ų47.216%0.15727%0.273CS..Hα-helixtrans-62.8-28.8-18000000113.9S398 V402 T403 E404S398-A400 VanDerWaalsContact C-N 3.27Å; S398-A400 PolarHBondContact O-N 3.36Å; A400-V402 PolarHBondContact O-N 3.08Å; A400-T403 WeakPolarHBondContact CA-OG1 3.31Å; A400-T403 PolarHBondContact O-N 2.84Å; A400-E404 VanDerWaalsContact O-CB 3.27Å; A400-E404 WeakPolarHBondContact O-CB 3.43Å; A400-E404 PolarHBondContact O-N 2.97Å
401A86.6Confident83.7Confident61 Ų6141.7 Ų41.750%0.50425%0.249SC..Hα-helixtrans-61.4-27.517400000112.5S398 V399 P405S398-A401 PolarHBondContact O-N 3.06Å; V399-A401 PolarHBondContact O-N 3.47Å; A401-P405 WeakPolarHBondContact O-CD 3.36Å; A401-P405 WeakPolarHBondContact O-CG 3.3Å
402V89.1Confident85.9Confident5 Ų541.9 Ų41.93%0.0325%0.252CS..Hα-helixtrans-88.9-48175.6-1800000111.1A288 H291 M292 F296 V399 A400 P405 L406A288-V402 HydrophobicContact CB-CG1 3.61Å; H291-V402 HydrophobicContact CB-CG2 4.48Å; H291-V402 WeakPolarHBondContact ND1-CG2 3.47Å; M292-V402 HydrophobicContact CE-CG1 4.41Å; M292-V402 HydrophobicContact CG-CB 4.38Å; M292-V402 HydrophobicContact CG-CG1 3.8Å; M292-V402 HydrophobicContact CG-CG2 3.92Å; M292-V402 HydrophobicContact SD-CG1 4.02Å; F296-V402 HydrophobicContact CE2-CG2 4.33Å; V399-V402 WeakPolarHBondContact O-CB 3.11Å; V399-V402 PolarHBondContact O-N 2.95Å; A400-V402 PolarHBondContact O-N 3.08Å; V402-P405 WeakPolarHBondContact O-CD 3.39Å; V402-L406 WeakPolarHBondContact O-CB 3.47Å
403T91.6Very high87.7Confident15 Ų1537.7 Ų37.79%0.09222%0.224CC..Hα-helixtrans-75.4-29.8-17059.30000113.7L213 L216 L361 V399 A400 H407L213-T403 HydrophobicContact CD1-CG2 4.36Å; L216-T403 HydrophobicContact CD2-CG2 4.12Å; L361-T403 HydrophobicContact CD1-CG2 4.32Å; L361-T403 HydrophobicContact CD2-CG2 4.19Å; V399-T403 HydrophobicContact CG1-CG2 3.67Å; V399-T403 PolarHBondContact O-N 3.35Å; V399-T403 PolarHBondContact O-OG1 2.82Å; A400-T403 WeakPolarHBondContact CA-OG1 3.31Å; A400-T403 PolarHBondContact O-N 2.84Å; T403-H407 WeakPolarHBondContact O-CB 3.15Å; T403-H407 PolarHBondContact O-N 2.73Å
404E91.6Very high89.2Confident52 Ų5234.6 Ų34.624%0.24320%0.203CC..Hα-helixtrans-66.2-53.9-178.8-162.787.3161.700113R212 A400 L406 H407 H408R212-E404 WeakPolarHBondContact CD-OE2 3.27Å; R212-E404 IonicContact CZ-OE1 2.76Å; R212-E404 IonicContact CZ-OE2 2.75Å; R212-E404 IonicContact NE-OE2 3.32Å; R212-E404 IonicContact NH1-OE1 2.81Å; R212-E404 PolarHBondContact NH1-OE1 3.16Å; R212-E404 IonicContact NH1-OE2 2.69Å; R212-E404 PolarHBondContact NH1-OE2 2.82Å; R212-E404 IonicContact NH2-OE1 3.89Å; A400-E404 VanDerWaalsContact O-CB 3.27Å; A400-E404 WeakPolarHBondContact O-CB 3.43Å; A400-E404 PolarHBondContact O-N 2.97Å; E404-L406 VanDerWaalsContact C-N 3.29Å; E404-L406 PolarHBondContact O-N 3.07Å; E404-H407 PolarHBondContact O-N 2.5Å; E404-H408 PolarHBondContact O-CD2 3.27Å; E404-H408 PolarHBondContact O-N 3.27Å
405P92.8Very high90.4Very high77 Ų7735 Ų3550%0.521%0.21SC..Hα-helixtrans-63.9-34.217725-34.2000112.4A401 V402 A409A401-P405 WeakPolarHBondContact O-CD 3.36Å; A401-P405 WeakPolarHBondContact O-CG 3.3Å; V402-P405 WeakPolarHBondContact O-CD 3.39Å; P405-A409 WeakPolarHBondContact O-CB 3.47Å; P405-A409 PolarHBondContact O-N 2.67Å
406L95.4Very high91.4Very high4 Ų435 Ų352%0.02121%0.211CC..Hα-helixtrans-64.4-43.6173.7-177.360.4000111.6L216 A284 A288 V402 E404 A409 L410L216-L406 HydrophobicContact CD1-CB 4.49Å; L216-L406 HydrophobicContact CD1-CD2 4.15Å; L216-L406 HydrophobicContact CD1-CG 3.82Å; L216-L406 HydrophobicContact CD2-CD2 4.16Å; L216-L406 HydrophobicContact CD2-CG 4.44Å; A284-L406 HydrophobicContact CB-CD1 3.89Å; A288-L406 HydrophobicContact CB-CB 4.43Å; A288-L406 HydrophobicContact CB-CD2 4.02Å; V402-L406 WeakPolarHBondContact O-CB 3.47Å; E404-L406 VanDerWaalsContact C-N 3.29Å; E404-L406 PolarHBondContact O-N 3.07Å; L406-A409 PolarHBondContact O-N 3.35Å; L406-L410 HydrophobicContact CD1-CD1 4.32Å; L406-L410 HydrophobicContact CD1-CD2 4.39Å; L406-L410 HydrophobicContact CD1-CG 4.1Å; L406-L410 HydrophobicContact CG-CD1 4.49Å; L406-L410 HydrophobicContact CG-CG 4.49Å; L406-L410 WeakPolarHBondContact O-CG 3.47Å; L406-L410 PolarHBondContact O-N 3.43Å
407H95.7Very high92.3Very high35 Ų3535 Ų3516%0.16221%0.211CC..Hα-helixtrans-60-47.1177.3178.479.2000111.8T215 L216 T403 E404 L410 A411T215-H407 PolarHBondContact OG1-CE1 2.99Å; L216-H407 HydrophobicContact CB-CB 4.29Å; L216-H407 HydrophobicContact CD1-CB 4.33Å; T403-H407 WeakPolarHBondContact O-CB 3.15Å; T403-H407 PolarHBondContact O-N 2.73Å; E404-H407 PolarHBondContact O-N 2.5Å; H407-L410 PolarHBondContact O-N 3.08Å; H407-A411 VanDerWaalsContact O-CB 3.23Å; H407-A411 WeakPolarHBondContact O-CB 3.48Å; H407-A411 PolarHBondContact O-N 2.88Å
408H95.4Very high93Very high114 Ų11435 Ų3553%0.52822%0.215SC..Hα-helixtrans-61.6-44.4176.4-73.8-63000112.5E404 A411 S412E404-H408 PolarHBondContact O-CD2 3.27Å; E404-H408 PolarHBondContact O-N 3.27Å; H408-A411 PolarHBondContact O-N 2.95Å; H408-S412 PolarHBondContact O-N 3.14Å
409A95.7Very high93.7Very high21 Ų2142.5 Ų42.517%0.17424%0.24CC..Hα-helixtrans-61.7-48.3178.300000112.3A284 P405 L406 S412 C413A284-A409 HydrophobicContact CB-CB 3.48Å; A284-A409 VanDerWaalsContact CB-CB 3.48Å; P405-A409 WeakPolarHBondContact O-CB 3.47Å; P405-A409 PolarHBondContact O-N 2.67Å; L406-A409 PolarHBondContact O-N 3.35Å; A409-S412 PolarHBondContact O-N 3.32Å; A409-C413 WeakPolarHBondContact O-CB 3.49Å; A409-C413 PolarHBondContact O-N 3.05Å; A409-C413 PolarHBondContact O-SG 2.84Å
410L96.4Very high94Very high1 Ų142.9 Ų42.91%0.00524%0.244CC..Hα-helixtrans-68.2-35.5179.5-61.6-165.4000112.4L216 L223 A281 W350 L406 H407 C413 L414L216-L410 HydrophobicContact CD1-CD1 3.73Å; L216-L410 HydrophobicContact CD1-CG 4.35Å; L223-L410 HydrophobicContact CD2-CD2 4.2Å; A281-L410 HydrophobicContact CB-CD2 3.59Å; W350-L410 HydrophobicContact CH2-CD1 4.02Å; W350-L410 HydrophobicContact CH2-CD2 3.51Å; W350-L410 HydrophobicContact CH2-CG 4.45Å; W350-L410 HydrophobicContact CZ2-CD2 4.39Å; W350-L410 HydrophobicContact CZ3-CD2 3.98Å; L406-L410 HydrophobicContact CD1-CD1 4.32Å; L406-L410 HydrophobicContact CD1-CD2 4.39Å; L406-L410 HydrophobicContact CD1-CG 4.1Å; L406-L410 HydrophobicContact CG-CD1 4.49Å; L406-L410 HydrophobicContact CG-CG 4.49Å; L406-L410 WeakPolarHBondContact O-CG 3.47Å; L406-L410 PolarHBondContact O-N 3.43Å; H407-L410 PolarHBondContact O-N 3.08Å; L410-C413 PolarHBondContact O-N 3.36Å; L410-L414 VanDerWaalsContact O-CB 3.28Å; L410-L414 WeakPolarHBondContact O-CB 3.16Å; L410-L414 PolarHBondContact O-N 3.46Å
411A96.8Very high94.4Very high37 Ų3743 Ų4331%0.30624%0.24SC..Hα-helixtrans-63.6-43.1174.900000112.2H407 H408 L414 G415H407-A411 VanDerWaalsContact O-CB 3.23Å; H407-A411 WeakPolarHBondContact O-CB 3.48Å; H407-A411 PolarHBondContact O-N 2.88Å; H408-A411 PolarHBondContact O-N 2.95Å; A411-L414 PolarHBondContact O-N 3.07Å; A411-G415 PolarHBondContact O-N 2.84Å
412S96.6Very high94.6Very high69 Ų6942.7 Ų42.748%0.48323%0.23SC..Hα-helixtrans-61.6-51.2174-167.80000111.2H408 A409 L414 G415 D416H408-S412 PolarHBondContact O-N 3.14Å; A409-S412 PolarHBondContact O-N 3.32Å; S412-L414 VanDerWaalsContact C-N 3.29Å; S412-L414 PolarHBondContact O-N 3.06Å; S412-G415 PolarHBondContact O-N 3.24Å; S412-G415 VanDerWaalsContact O-N 3.11Å; S412-D416 VanDerWaalsContact O-CG 3.26Å; S412-D416 PolarHBondContact O-N 3.15Å
413C96.8Very high94.6Very high3 Ų348.5 Ų48.52%0.0226%0.255CS..Hα-helixtrans-59.5-39.4-179.3-65.60000112.2L223 A277 A281 A409 L410 V417L223-C413 HydrophobicContact CD1-CB 4.33Å; L223-C413 HydrophobicContact CD2-CB 3.92Å; A277-C413 HydrophobicContact CB-CB 4.01Å; A277-C413 PolarHBondContact O-SG 2.67Å; A277-C413 VanDerWaalsContact O-SG 3.37Å; A281-C413 HydrophobicContact CB-CB 4.5Å; A409-C413 WeakPolarHBondContact O-CB 3.49Å; A409-C413 PolarHBondContact O-N 3.05Å; A409-C413 PolarHBondContact O-SG 2.84Å; L410-C413 PolarHBondContact O-N 3.36Å; C413-V417 VanDerWaalsContact O-CG2 3.32Å; C413-V417 WeakPolarHBondContact O-CG2 3.27Å; C413-V417 PolarHBondContact O-N 2.81Å
414L97.4Very high94.3Very high23 Ų2349 Ų4912%0.1226%0.256CS..Hα-helixtrans-62.5-49174178.262.6000111.4N219 T222 L223 L226 L410 A411 S412 D416 Q418N219-L414 HydrophobicContact CB-CD2 4.31Å; T222-L414 WeakPolarHBondContact OG1-CD2 3.29Å; L223-L414 HydrophobicContact CB-CB 4.5Å; L223-L414 HydrophobicContact CB-CD1 4.27Å; L226-L414 HydrophobicContact CD2-CD1 4.02Å; L410-L414 VanDerWaalsContact O-CB 3.28Å; L410-L414 WeakPolarHBondContact O-CB 3.16Å; L410-L414 PolarHBondContact O-N 3.46Å; A411-L414 PolarHBondContact O-N 3.07Å; S412-L414 VanDerWaalsContact C-N 3.29Å; S412-L414 PolarHBondContact O-N 3.06Å; L414-D416 VanDerWaalsContact C-N 3.33Å; L414-D416 PolarHBondContact O-N 3.35Å; L414-Q418 WeakPolarHBondContact O-CB 3.38Å; L414-Q418 PolarHBondContact O-N 2.99Å
415G96.3Very high93.9Very high27 Ų2751.6 Ų51.628%0.27826%0.264SS..Hα-helixtrans-62.3-36.6178.700000113.6A411 S412 R419A411-G415 PolarHBondContact O-N 2.84Å; S412-G415 PolarHBondContact O-N 3.24Å; S412-G415 VanDerWaalsContact O-N 3.11Å; G415-R419 WeakPolarHBondContact O-CB 3.4Å; G415-R419 VanDerWaalsContact O-CG 3.23Å; G415-R419 WeakPolarHBondContact O-CG 3.35Å; G415-R419 PolarHBondContact O-N 3.24Å; G415-R419 VanDerWaalsContact O-N 3.09Å; G415-R419 PolarHBondContact O-NE 3.31Å
416D95.3Very high93.1Very high56 Ų5653.6 Ų53.630%0.29927%0.266SS..Hα-helixtrans-70.2-51178.2-65.8-30.3000112V273 S412 L414 Q418 R419 S420V273-D416 HydrophobicContact CG1-CB 4.08Å; V273-D416 WeakPolarHBondContact CG1-O 3.42Å; S412-D416 VanDerWaalsContact O-CG 3.26Å; S412-D416 PolarHBondContact O-N 3.15Å; L414-D416 VanDerWaalsContact C-N 3.33Å; L414-D416 PolarHBondContact O-N 3.35Å; D416-Q418 VanDerWaalsContact C-N 3.28Å; D416-Q418 PolarHBondContact O-N 3.43Å; D416-R419 IonicContact OD1-CZ 2.64Å; D416-R419 IonicContact OD1-NH2 3.68Å; D416-R419 PolarHBondContact OD1-NH2 3.26Å; D416-S420 WeakPolarHBondContact O-CB 3.49Å; D416-S420 PolarHBondContact O-N 3Å; D416-S420 VanDerWaalsContact O-N 3.07Å
417V96.1Very high91.7Very high0 Ų060.7 Ų60.70%030%0.297CS..Hα-helixtrans-65.1-34.8177.8-178.30000110.6L223 L226 V273 L274 A277 C413 Y421L223-V417 HydrophobicContact CD1-CB 4.49Å; L223-V417 HydrophobicContact CD1-CG2 4.25Å; L226-V417 HydrophobicContact CD2-CB 3.84Å; L226-V417 HydrophobicContact CD2-CG1 3.63Å; L226-V417 HydrophobicContact CG-CG1 3.97Å; V273-V417 HydrophobicContact CG1-CG2 4.27Å; L274-V417 HydrophobicContact CD1-CG1 4.31Å; A277-V417 HydrophobicContact CB-CG2 3.29Å; C413-V417 VanDerWaalsContact O-CG2 3.32Å; C413-V417 WeakPolarHBondContact O-CG2 3.27Å; C413-V417 PolarHBondContact O-N 2.81Å; V417-Y421 WeakPolarHBondContact O-CB 3.35Å; V417-Y421 PolarHBondContact O-N 3.5Å
418Q96.6Very high90.1Very high93 Ų9362.8 Ų62.844%0.43531%0.307SS..Hα-helixtrans-67-51.5179.4-176.6173.1-7.700111.1L226 L414 D416 S420 Y421 D422L226-Q418 HydrophobicContact CD2-CB 3.83Å; L414-Q418 WeakPolarHBondContact O-CB 3.38Å; L414-Q418 PolarHBondContact O-N 2.99Å; D416-Q418 VanDerWaalsContact C-N 3.28Å; D416-Q418 PolarHBondContact O-N 3.43Å; Q418-S420 VanDerWaalsContact C-N 3.28Å; Q418-S420 PolarHBondContact O-N 3.46Å; Q418-Y421 PolarHBondContact O-N 3.01Å; Q418-D422 VanDerWaalsContact CG-OD2 3.31Å; Q418-D422 WeakPolarHBondContact CG-OD2 3.44Å; Q418-D422 WeakPolarHBondContact O-CB 3.36Å; Q418-D422 PolarHBondContact O-N 2.96Å
419R94.4Very high87.9Confident175 Ų17563.7 Ų63.766%0.6631%0.313SS*.Hα-helixtrans-55.8-43.5176.2-72.4-177.3-64.5168.8-1.2111.9G415 D416 F423G415-R419 WeakPolarHBondContact O-CB 3.4Å; G415-R419 VanDerWaalsContact O-CG 3.23Å; G415-R419 WeakPolarHBondContact O-CG 3.35Å; G415-R419 PolarHBondContact O-N 3.24Å; G415-R419 VanDerWaalsContact O-N 3.09Å; G415-R419 PolarHBondContact O-NE 3.31Å; D416-R419 IonicContact OD1-CZ 2.64Å; D416-R419 IonicContact OD1-NH2 3.68Å; D416-R419 PolarHBondContact OD1-NH2 3.26Å; R419-F423 VanDerWaalsContact O-CB 3.24Å; R419-F423 WeakPolarHBondContact O-CB 3.43Å; R419-F423 PolarHBondContact O-N 3.03Å
420S92.7Very high85.3Confident14 Ų1468.4 Ų68.410%0.09833%0.332CS..Hα-helixtrans-70.3-42.3179.2-171.50000113L270 D416 Q418 H424L270-S420 WeakPolarHBondContact CA-OG 3.36Å; D416-S420 WeakPolarHBondContact O-CB 3.49Å; D416-S420 PolarHBondContact O-N 3Å; D416-S420 VanDerWaalsContact O-N 3.07Å; Q418-S420 VanDerWaalsContact C-N 3.28Å; Q418-S420 PolarHBondContact O-N 3.46Å; S420-H424 PolarHBondContact O-CD2 3.32Å; S420-H424 PolarHBondContact O-N 2.85Å
421Y93.2Very high83Confident20 Ų2071.9 Ų71.98%0.07835%0.354CS..Hα-helixtrans-63.7-47.5177.4174-99.5000111.6L226 K229 A230 L233 V417 Q418 H424 R425L226-Y421 HydrophobicContact CD1-CD1 3.76Å; L226-Y421 HydrophobicContact CD1-CE1 4.34Å; L226-Y421 HydrophobicContact CD1-CG 4.06Å; K229-Y421 HydrophobicContact CB-CE2 3.92Å; A230-Y421 HydrophobicContact CB-CD2 4.12Å; L233-Y421 HydrophobicContact CD2-CD2 4.31Å; L233-Y421 HydrophobicContact CD2-CE2 4.18Å; V417-Y421 WeakPolarHBondContact O-CB 3.35Å; V417-Y421 PolarHBondContact O-N 3.5Å; Q418-Y421 PolarHBondContact O-N 3.01Å; Y421-H424 PolarHBondContact O-N 2.92Å; Y421-R425 WeakPolarHBondContact O-CB 3.39Å; Y421-R425 PolarHBondContact O-N 3.32Å; Y421-R425 PolarHBondContact OH-NH1 3.33Å
422D90.9Very high80.6Confident55 Ų5579.7 Ų79.729%0.29438%0.376SS..Hα-helixtrans-64.7-43.4179.7-68-25.1000110.3Q418 R425 H426Q418-D422 VanDerWaalsContact CG-OD2 3.31Å; Q418-D422 WeakPolarHBondContact CG-OD2 3.44Å; Q418-D422 WeakPolarHBondContact O-CB 3.36Å; Q418-D422 PolarHBondContact O-N 2.96Å; D422-R425 PolarHBondContact O-N 3.38Å; D422-H426 WeakPolarHBondContact O-CB 3.46Å; D422-H426 PolarHBondContact O-CD2 3.19Å; D422-H426 PolarHBondContact O-N 3.48Å
423F88.8Confident77.8Confident127 Ų12781 Ų8156%0.55738%0.381SS*.Hα-helixtrans-55-54.6173.3174.5-98.8000112.4R419 H426 F427R419-F423 VanDerWaalsContact O-CB 3.24Å; R419-F423 WeakPolarHBondContact O-CB 3.43Å; R419-F423 PolarHBondContact O-N 3.03Å; F423-H426 PolarHBondContact O-N 3.19Å; F423-F427 WeakPolarHBondContact O-CB 3.07Å; F423-F427 PolarHBondContact O-N 3.15Å
424H85.4Confident75Confident25 Ų2586.6 Ų86.612%0.11642%0.42CS..Hα-helixtrans-68.2-38.2-177.5-77.3-63.6000112.6L233 L267 L270 S420 Y421 F427 E428L233-H424 HydrophobicContact CD2-CB 4.46Å; L267-H424 HydrophobicContact CD2-CB 4.08Å; L270-H424 PolarHBondContact N-NE2 2.76Å; L270-H424 VanDerWaalsContact N-NE2 3.16Å; S420-H424 PolarHBondContact O-CD2 3.32Å; S420-H424 PolarHBondContact O-N 2.85Å; Y421-H424 PolarHBondContact O-N 2.92Å; H424-F427 PolarHBondContact O-N 3.34Å; H424-E428 PolarHBondContact O-N 2.82Å
425R83.3Confident72.3Confident108 Ų10888.1 Ų88.141%0.40843%0.432SS..Hα-helixtrans-63-44.5174.2179.4177.8177.3159-4.4112.1Y421 D422 F427 E428 M429Y421-R425 WeakPolarHBondContact O-CB 3.39Å; Y421-R425 PolarHBondContact O-N 3.32Å; Y421-R425 PolarHBondContact OH-NH1 3.33Å; D422-R425 PolarHBondContact O-N 3.38Å; R425-F427 VanDerWaalsContact C-N 3.34Å; R425-E428 PolarHBondContact O-N 2.88Å; R425-M429 HydrophobicContact CG-CG 4.26Å; R425-M429 WeakPolarHBondContact O-CB 3.27Å; R425-M429 WeakPolarHBondContact O-CG 3.4Å; R425-M429 PolarHBondContact O-N 2.92Å
426H75.8Confident69.9Low118 Ų11889.3 Ų89.355%0.54644%0.44SS..Hα-helixtrans-68.5-35178-75.1-58.1000112.1D422 F423 M429 Q430D422-H426 WeakPolarHBondContact O-CB 3.46Å; D422-H426 PolarHBondContact O-CD2 3.19Å; D422-H426 PolarHBondContact O-N 3.48Å; F423-H426 PolarHBondContact O-N 3.19Å; H426-M429 PolarHBondContact O-N 3.19Å; H426-Q430 WeakPolarHBondContact O-CB 3.18Å; H426-Q430 PolarHBondContact O-N 2.76Å
427F66.3Low67.8Low153 Ų15394.2 Ų94.267%0.67147%0.466SS*.Hα-helixtrans-66-39.9175-166.3-93.8000112.6F423 H424 R425F423-F427 WeakPolarHBondContact O-CB 3.07Å; F423-F427 PolarHBondContact O-N 3.15Å; H424-F427 PolarHBondContact O-N 3.34Å; R425-F427 VanDerWaalsContact C-N 3.34Å
428E61.9Low65.6Low80 Ų8099 Ų9937%0.37450%0.5SS..Hα-helixtrans-70.6-36.6172.9-74.4177.4-141.600113L233 T237 L267 H424 R425L233-E428 WeakPolarHBondContact CD1-OE2 3.25Å; T237-E428 WeakPolarHBondContact CG2-OE1 3.35Å; T237-E428 WeakPolarHBondContact CG2-OE2 3.38Å; L267-E428 WeakPolarHBondContact CD1-OE1 3.42Å; L267-E428 WeakPolarHBondContact CD2-OE1 3.26Å; H424-E428 PolarHBondContact O-N 2.82Å; R425-E428 PolarHBondContact O-N 2.88Å
429M49Very low63.3Low132 Ų13296.5 Ų96.565%0.6549%0.492SS*.Hα-helixtrans-85.6-6.3-176.3-68-90.7-75.300114.2R425 H426 P431R425-M429 HydrophobicContact CG-CG 4.26Å; R425-M429 WeakPolarHBondContact O-CB 3.27Å; R425-M429 WeakPolarHBondContact O-CG 3.4Å; R425-M429 PolarHBondContact O-N 2.92Å; H426-M429 PolarHBondContact O-N 3.19Å; M429-P431 WeakPolarHBondContact O-CD 3.25Å
430Q41.4Very low61.5Low121 Ų12189.7 Ų89.757%0.56548%0.476SS*.  trans-94.798.6171.8-90.1-165.9-7.900111.7H426 R432H426-Q430 WeakPolarHBondContact O-CB 3.18Å; H426-Q430 PolarHBondContact O-N 2.76Å; Q430-R432 PolarHBondContact O-N 3.15Å
431P47.2Very low59.8Low73 Ų7396.8 Ų96.847%0.47450%0.501SS..  trans-76.264.2166.633.8-37.7000111.5M429 T433 R443M429-P431 WeakPolarHBondContact O-CD 3.25Å; P431-T433 PolarHBondContact O-N 3.2Å; P431-R443 PolarHBondContact O-NH1 2.92Å
432R46.3Very low57.9Low202 Ų20298.7 Ų98.776%0.76252%0.521SS*.  trans3277175.7-76.3-175.9171.9165.6-4.1114.3Q430Q430-R432 PolarHBondContact O-N 3.15Å
433T38.9Very low56.3Low97 Ų97101.2 Ų101.260%0.59553%0.526SS*.  trans-87.6-11.7177.945.20000114.4P431P431-T433 PolarHBondContact O-N 3.2Å
434S38Very low55.3Low119 Ų119100.7 Ų100.783%0.83253%0.526SS*.THydrogen-bonded Turntrans-88.85.4-177.663.10000115.8
435S41.5Very low54.5Low55 Ų55105.4 Ų105.439%0.38555%0.546SS..THydrogen-bonded Turntrans-125.338175.866.80000112D437 S439S435-D437 PolarHBondContact O-N 3.5Å; S435-S439 WeakPolarHBondContact O-CB 3.39Å; S435-S439 PolarHBondContact O-N 3.07Å; S435-S439 PolarHBondContact O-OG 3.02Å
436A45.3Very low53.7Low53 Ų53103.4 Ų103.444%0.43855%0.548SS..Hα-helixtrans-63.9-36.8-16000000115.2G440A436-G440 WeakPolarHBondContact O-CA 3.16Å; A436-G440 PolarHBondContact O-N 2.66Å
437D50Low53.7Low159 Ų159105.8 Ų105.885%0.8555%0.552SS**Hα-helixtrans-74.6-40-163.3-61.5-17.2000113.9S435S435-D437 PolarHBondContact O-N 3.5Å
438S50.7Low54.3Low101 Ų101100.1 Ų100.171%0.70653%0.527SS*.Hα-helixtrans-85.3-37.7175.361.80000112.5
439S49.2Very low55.2Low40 Ų40101.1 Ų101.128%0.2854%0.535SS..Hα-helixtrans-78.8-25.7-177.172.70000113.6S435 A442 R443S435-S439 WeakPolarHBondContact O-CB 3.39Å; S435-S439 PolarHBondContact O-N 3.07Å; S435-S439 PolarHBondContact O-OG 3.02Å; S439-A442 PolarHBondContact O-N 3.41Å; S439-R443 VanDerWaalsContact O-CB 3.23Å; S439-R443 WeakPolarHBondContact O-CB 3.46Å; S439-R443 PolarHBondContact O-N 3.08Å
440G54.8Low56.6Low31 Ų3199.2 Ų99.232%0.3253%0.527SS..Hα-helixtrans-58.6-50.3176.900000112.1A436 A442 R443 E444A436-G440 WeakPolarHBondContact O-CA 3.16Å; A436-G440 PolarHBondContact O-N 2.66Å; G440-A442 VanDerWaalsContact C-N 3.34Å; G440-A442 PolarHBondContact O-N 2.85Å; G440-R443 PolarHBondContact O-N 3.25Å; G440-E444 WeakPolarHBondContact O-CB 3.23Å; G440-E444 PolarHBondContact O-N 3.15Å
441R57.8Low58.6Low163 Ų16395.2 Ų95.262%0.61552%0.515SS*.Hα-helixtrans-62.6-36.6178.2-173.9179.7-80.1-157.6-5112.7K445R441-K445 WeakPolarHBondContact O-CG 3.33Å; R441-K445 PolarHBondContact O-N 3.46Å
442A54Low60.5Low61 Ų6192.9 Ų92.950%0.50450%0.499SS..Hα-helixtrans-71-39.6175.300000112.2S439 G440 C446S439-A442 PolarHBondContact O-N 3.41Å; G440-A442 VanDerWaalsContact C-N 3.34Å; G440-A442 PolarHBondContact O-N 2.85Å; A442-C446 WeakPolarHBondContact O-CB 3.2Å; A442-C446 PolarHBondContact O-N 3.3Å
443R57.2Low62.2Low108 Ų10889.4 Ų89.441%0.40849%0.491SS..Hα-helixtrans-70.1-34.3178.2-167.9173.9-171.4172.71.4112.4P431 S439 G440 R447P431-R443 PolarHBondContact O-NH1 2.92Å; S439-R443 VanDerWaalsContact O-CB 3.23Å; S439-R443 WeakPolarHBondContact O-CB 3.46Å; S439-R443 PolarHBondContact O-N 3.08Å; G440-R443 PolarHBondContact O-N 3.25Å; R443-R447 WeakPolarHBondContact O-CG 3.45Å; R443-R447 PolarHBondContact O-N 3.46Å
444E66.7Low64.5Low115 Ų11589.1 Ų89.154%0.53749%0.489SS..Hα-helixtrans-65.2-51.5172-173.5169.3-152.400111G440 C446 R447 E448G440-E444 WeakPolarHBondContact O-CB 3.23Å; G440-E444 PolarHBondContact O-N 3.15Å; E444-C446 VanDerWaalsContact C-N 3.27Å; E444-C446 PolarHBondContact O-N 3.05Å; E444-R447 CarbonylContact O-C 3.22Å; E444-R447 WeakPolarHBondContact O-CA 3.35Å; E444-R447 WeakPolarHBondContact O-CB 3.31Å; E444-R447 PolarHBondContact O-N 3.44Å; E444-E448 WeakPolarHBondContact O-CG 3.41Å; E444-E448 PolarHBondContact O-N 3.12Å
445K68.6Low66.8Low125 Ų12584.4 Ų84.454%0.54346%0.456SS..Hα-helixtrans-55.4-40.7173.1-73.7179.5176.8-170.70112.7R441 E448 L449R441-K445 WeakPolarHBondContact O-CG 3.33Å; R441-K445 PolarHBondContact O-N 3.46Å; K445-E448 PolarHBondContact O-N 3.06Å; K445-L449 WeakPolarHBondContact O-CB 3.48Å; K445-L449 VanDerWaalsContact O-CG 3.29Å; K445-L449 WeakPolarHBondContact O-CG 3.44Å; K445-L449 PolarHBondContact O-N 3.39Å
446C68Low69Low66 Ų6686 Ų8645%0.44646%0.459SS..Hα-helixtrans-64.9-39.9175.3-176.40000112.3A442 E444 N450A442-C446 WeakPolarHBondContact O-CB 3.2Å; A442-C446 PolarHBondContact O-N 3.3Å; E444-C446 VanDerWaalsContact C-N 3.27Å; E444-C446 PolarHBondContact O-N 3.05Å; C446-N450 WeakPolarHBondContact O-CB 3.44Å; C446-N450 PolarHBondContact O-N 2.78Å; C446-N450 PolarHBondContact O-ND2 3.28Å
447R76Confident71Confident168 Ų16889.3 Ų89.363%0.63446%0.46SS*.Hα-helixtrans-64.9-41.9173.3-77.1172.8169178.1-4.1112.3R443 E444 N450 A451R443-R447 WeakPolarHBondContact O-CG 3.45Å; R443-R447 PolarHBondContact O-N 3.46Å; E444-R447 CarbonylContact O-C 3.22Å; E444-R447 WeakPolarHBondContact O-CA 3.35Å; E444-R447 WeakPolarHBondContact O-CB 3.31Å; E444-R447 PolarHBondContact O-N 3.44Å; R447-N450 PolarHBondContact O-N 3.01Å; R447-A451 WeakPolarHBondContact O-CB 3.32Å; R447-A451 PolarHBondContact O-N 3.18Å
448E77.9Confident72.8Confident33 Ų3384 Ų8415%0.15444%0.436CS..Hα-helixtrans-61.7-46.7175.3-69.2-175.5144.600111.7E444 K445 A451 L452 M525 R528E444-E448 WeakPolarHBondContact O-CG 3.41Å; E444-E448 PolarHBondContact O-N 3.12Å; K445-E448 PolarHBondContact O-N 3.06Å; E448-A451 PolarHBondContact O-N 3.32Å; E448-L452 WeakPolarHBondContact O-CB 3.38Å; E448-L452 PolarHBondContact O-N 3.14Å; E448-M525 HydrophobicContact CB-CE 3.89Å; E448-M525 HydrophobicContact CB-CG 4.43Å; E448-M525 HydrophobicContact CB-SD 4.14Å; E448-R528 WeakPolarHBondContact OE1-CD 3.29Å; E448-R528 IonicContact OE1-CZ 2.71Å; E448-R528 IonicContact OE1-NE 3.81Å; E448-R528 IonicContact OE1-NH1 3.5Å; E448-R528 PolarHBondContact OE1-NH1 3.46Å
449L80.3Confident74.8Confident101 Ų10180.2 Ų80.253%0.52941%0.407SS..Hα-helixtrans-63.9-40.3176.8-72.8169000112.4K445 L452 H453 M525K445-L449 WeakPolarHBondContact O-CB 3.48Å; K445-L449 VanDerWaalsContact O-CG 3.29Å; K445-L449 WeakPolarHBondContact O-CG 3.44Å; K445-L449 PolarHBondContact O-N 3.39Å; L449-L452 PolarHBondContact O-N 3.2Å; L449-H453 WeakPolarHBondContact O-CB 3.47Å; L449-H453 PolarHBondContact O-N 3.14Å; L449-M525 HydrophobicContact CD2-CE 4.07Å; L449-M525 HydrophobicContact CG-CE 4.38Å
450N79.4Confident76.8Confident92 Ų9282 Ų8249%0.49241%0.411SS..Hα-helixtrans-65.4-42.2175.1-74.3-24.5000111.6C446 R447 L452 H453 T454C446-N450 WeakPolarHBondContact O-CB 3.44Å; C446-N450 PolarHBondContact O-N 2.78Å; C446-N450 PolarHBondContact O-ND2 3.28Å; R447-N450 PolarHBondContact O-N 3.01Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact O-N 3.18Å; N450-H453 PolarHBondContact O-N 2.9Å; N450-T454 PolarHBondContact O-N 3.1Å; N450-T454 PolarHBondContact O-OG1 2.81Å
451A83.3Confident78.6Confident38 Ų3885 Ų8531%0.31442%0.42SS..Hα-helixtrans-63.8-38.7175.800000111.8R447 E448 T454 S455 Q521R447-A451 WeakPolarHBondContact O-CB 3.32Å; R447-A451 PolarHBondContact O-N 3.18Å; E448-A451 PolarHBondContact O-N 3.32Å; A451-T454 WeakPolarHBondContact CA-OG1 3.38Å; A451-T454 PolarHBondContact O-N 2.64Å; A451-T454 PolarHBondContact O-OG1 3.33Å; A451-S455 PolarHBondContact O-N 2.9Å; A451-S455 PolarHBondContact O-OG 2.93Å; A451-Q521 VanDerWaalsContact CB-NE2 3.28Å
452L87.4Confident80.1Confident24 Ų2480 Ų8013%0.12640%0.403CS..Hα-helixtrans-67.4-40.4174.617962.2000111.5E448 L449 N450 T454 S455 I456 Q521 V522 M525E448-L452 WeakPolarHBondContact O-CB 3.38Å; E448-L452 PolarHBondContact O-N 3.14Å; L449-L452 PolarHBondContact O-N 3.2Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact O-N 3.18Å; L452-T454 VanDerWaalsContact C-N 3.31Å; L452-T454 PolarHBondContact O-N 2.76Å; L452-S455 WeakPolarHBondContact CA-OG 3.42Å; L452-S455 PolarHBondContact O-N 3.49Å; L452-S455 PolarHBondContact O-OG 3.07Å; L452-I456 HydrophobicContact CD1-CD1 3.96Å; L452-I456 HydrophobicContact CD1-CG1 4.2Å; L452-I456 HydrophobicContact CG-CD1 3.83Å; L452-I456 HydrophobicContact CG-CG1 4.47Å; L452-I456 WeakPolarHBondContact O-CB 3.45Å; L452-I456 VanDerWaalsContact O-CG1 3.26Å; L452-I456 WeakPolarHBondContact O-CG1 3.18Å; L452-I456 PolarHBondContact O-N 3.4Å; L452-Q521 HydrophobicContact CD1-CG 4.32Å; L452-Q521 VanDerWaalsContact N-NE2 3.14Å; L452-V522 HydrophobicContact CD1-CG2 3.68Å; L452-V522 HydrophobicContact CD2-CG2 4.02Å; L452-M525 HydrophobicContact CB-SD 4.43Å; L452-M525 HydrophobicContact CD2-SD 4.07Å
453H82.4Confident81.9Confident129 Ų12981.1 Ų81.160%0.59740%0.4SS*.Hα-helixtrans-62.7-38.5174.4-177.4-88.6000111.6L449 N450 R457L449-H453 WeakPolarHBondContact O-CB 3.47Å; L449-H453 PolarHBondContact O-N 3.14Å; N450-H453 PolarHBondContact O-N 2.9Å; H453-R457 VanDerWaalsContact O-CB 3.26Å; H453-R457 WeakPolarHBondContact O-CB 3.33Å; H453-R457 PolarHBondContact O-N 2.81Å
454T85.6Confident83.5Confident91 Ų9181.8 Ų81.856%0.55841%0.406SS*.Hα-helixtrans-67.9-39.917547.20000113.3N450 A451 L452 R457 S458N450-T454 PolarHBondContact O-N 3.1Å; N450-T454 PolarHBondContact O-OG1 2.81Å; A451-T454 WeakPolarHBondContact CA-OG1 3.38Å; A451-T454 PolarHBondContact O-N 2.64Å; A451-T454 PolarHBondContact O-OG1 3.33Å; L452-T454 VanDerWaalsContact C-N 3.31Å; L452-T454 PolarHBondContact O-N 2.76Å; T454-R457 PolarHBondContact O-N 2.73Å; T454-S458 PolarHBondContact O-N 2.95Å
455S86.9Confident84.5Confident20 Ų2077.8 Ų77.814%0.1439%0.392CS..Hα-helixtrans-69.9-41.4177.854.10000111.8A451 L452 R457 S458 L459 T518 Q521A451-S455 PolarHBondContact O-N 2.9Å; A451-S455 PolarHBondContact O-OG 2.93Å; L452-S455 WeakPolarHBondContact CA-OG 3.42Å; L452-S455 PolarHBondContact O-N 3.49Å; L452-S455 PolarHBondContact O-OG 3.07Å; S455-R457 VanDerWaalsContact C-N 3.32Å; S455-R457 PolarHBondContact O-N 2.95Å; S455-S458 WeakPolarHBondContact O-CB 3.37Å; S455-S458 PolarHBondContact O-N 2.62Å; S455-L459 PolarHBondContact O-N 2.91Å; S455-T518 WeakPolarHBondContact OG-CG2 3.49Å; S455-Q521 PolarHBondContact OG-OE1 3.15Å
456I88Confident85.7Confident88 Ų8873.6 Ų73.645%0.45138%0.376SS..Hα-helixtrans-59.5-41.1170.7-68.8169.8000111.3L452 L459 Q460 T518L452-I456 HydrophobicContact CD1-CD1 3.96Å; L452-I456 HydrophobicContact CD1-CG1 4.2Å; L452-I456 HydrophobicContact CG-CD1 3.83Å; L452-I456 HydrophobicContact CG-CG1 4.47Å; L452-I456 WeakPolarHBondContact O-CB 3.45Å; L452-I456 VanDerWaalsContact O-CG1 3.26Å; L452-I456 WeakPolarHBondContact O-CG1 3.18Å; L452-I456 PolarHBondContact O-N 3.4Å; I456-L459 PolarHBondContact O-N 3.45Å; I456-Q460 WeakPolarHBondContact O-CB 3.46Å; I456-Q460 PolarHBondContact O-N 3.05Å; I456-T518 HydrophobicContact CG1-CG2 4.08Å
457R87.3Confident86.8Confident123 Ų12374.8 Ų74.846%0.46438%0.378SS..Hα-helixtrans-67.8-36.5177.4-177.456175.5-160.7-7112.3H453 T454 S455 Q460 L461H453-R457 VanDerWaalsContact O-CB 3.26Å; H453-R457 WeakPolarHBondContact O-CB 3.33Å; H453-R457 PolarHBondContact O-N 2.81Å; T454-R457 PolarHBondContact O-N 2.73Å; S455-R457 VanDerWaalsContact C-N 3.32Å; S455-R457 PolarHBondContact O-N 2.95Å; R457-Q460 PolarHBondContact O-N 3.17Å; R457-L461 WeakPolarHBondContact O-CG 3.46Å; R457-L461 PolarHBondContact O-N 2.95Å; R457-L461 VanDerWaalsContact O-N 3.13Å
458S88.3Confident87.5Confident48 Ų4869.7 Ų69.734%0.33637%0.367SS..Hα-helixtrans-62.1-50.4173.2-164.30000111T454 S455 Q460 L461 H462T454-S458 PolarHBondContact O-N 2.95Å; S455-S458 WeakPolarHBondContact O-CB 3.37Å; S455-S458 PolarHBondContact O-N 2.62Å; S458-Q460 VanDerWaalsContact C-N 3.31Å; S458-Q460 PolarHBondContact O-N 2.94Å; S458-L461 PolarHBondContact O-N 3.42Å; S458-H462 PolarHBondContact O-CD2 3.33Å; S458-H462 VanDerWaalsContact O-CD2 3.29Å; S458-H462 PolarHBondContact O-N 3.33Å
459L91.3Very high88Confident20 Ų2071.9 Ų71.911%0.10538%0.378CS..Hα-helixtrans-54.4-46.3174.5177.262.4000111.8S455 I456 L461 H462 L463 S511 C514 W515S455-L459 PolarHBondContact O-N 2.91Å; I456-L459 PolarHBondContact O-N 3.45Å; L459-L461 VanDerWaalsContact C-N 3.27Å; L459-L461 PolarHBondContact O-N 3Å; L459-H462 PolarHBondContact O-N 3.25Å; L459-L463 HydrophobicContact CD1-CD1 3.88Å; L459-L463 HydrophobicContact CD1-CG 4.03Å; L459-L463 HydrophobicContact CG-CD1 3.86Å; L459-L463 HydrophobicContact CG-CG 4.41Å; L459-L463 WeakPolarHBondContact O-CB 3.4Å; L459-L463 WeakPolarHBondContact O-CG 3.41Å; L459-L463 PolarHBondContact O-N 2.55Å; L459-S511 WeakPolarHBondContact CD1-O 3.44Å; L459-C514 HydrophobicContact CB-CB 3.91Å; L459-C514 HydrophobicContact CD1-CB 4.01Å; L459-W515 HydrophobicContact CD1-CB 4.1Å; L459-W515 HydrophobicContact CD2-CB 4.44Å; L459-W515 HydrophobicContact CD2-CE3 3.83Å
460Q91.8Very high88.5Confident77 Ų7771.9 Ų71.936%0.3638%0.376SS..Hα-helixtrans-59.2-36.7177.7-170-172.128.900112.6I456 R457 S458 K464I456-Q460 WeakPolarHBondContact O-CB 3.46Å; I456-Q460 PolarHBondContact O-N 3.05Å; R457-Q460 PolarHBondContact O-N 3.17Å; S458-Q460 VanDerWaalsContact C-N 3.31Å; S458-Q460 PolarHBondContact O-N 2.94Å; Q460-K464 HydrophobicContact CG-CD 4.45Å; Q460-K464 WeakPolarHBondContact O-CB 3.37Å; Q460-K464 VanDerWaalsContact O-CG 3.29Å; Q460-K464 WeakPolarHBondContact O-CG 3.5Å; Q460-K464 PolarHBondContact O-N 3.16Å; Q460-K464 VanDerWaalsContact O-N 3.09Å
461L91.6Very high89Confident95 Ų9571.8 Ų71.850%0.49738%0.375SS..Hα-helixtrans-71.8-45.6178.7-70.6168.9000111.4R457 S458 L459 L463 K464 A465R457-L461 WeakPolarHBondContact O-CG 3.46Å; R457-L461 PolarHBondContact O-N 2.95Å; R457-L461 VanDerWaalsContact O-N 3.13Å; S458-L461 PolarHBondContact O-N 3.42Å; L459-L461 VanDerWaalsContact C-N 3.27Å; L459-L461 PolarHBondContact O-N 3Å; L461-L463 PolarHBondContact O-N 3Å; L461-K464 PolarHBondContact O-N 3.41Å; L461-A465 PolarHBondContact O-N 2.88Å
462H90.1Very high89.2Confident59 Ų5973.1 Ų73.127%0.27338%0.376SS..Hα-helixtrans-63.4-41176.7-72.8-70.5000112.4S458 L459 A465 L466 A510S458-H462 PolarHBondContact O-CD2 3.33Å; S458-H462 VanDerWaalsContact O-CD2 3.29Å; S458-H462 PolarHBondContact O-N 3.33Å; L459-H462 PolarHBondContact O-N 3.25Å; H462-A465 PolarHBondContact O-N 3.24Å; H462-L466 WeakPolarHBondContact O-CB 3.1Å; H462-L466 PolarHBondContact O-N 3.03Å; H462-A510 WeakPolarHBondContact ND1-CB 3.35Å
463L91.9Very high89.2Confident84 Ų8473.1 Ų73.144%0.4438%0.376SS..Hα-helixtrans-65.2-37174.9-71.7173.4000112.8L459 L461 L467L459-L463 HydrophobicContact CD1-CD1 3.88Å; L459-L463 HydrophobicContact CD1-CG 4.03Å; L459-L463 HydrophobicContact CG-CD1 3.86Å; L459-L463 HydrophobicContact CG-CG 4.41Å; L459-L463 WeakPolarHBondContact O-CB 3.4Å; L459-L463 WeakPolarHBondContact O-CG 3.41Å; L459-L463 PolarHBondContact O-N 2.55Å; L461-L463 PolarHBondContact O-N 3Å; L463-L467 VanDerWaalsContact O-CB 3.31Å; L463-L467 WeakPolarHBondContact O-CB 3.14Å; L463-L467 PolarHBondContact O-N 3.27Å
464K90.8Very high89.4Confident121 Ų12173.3 Ų73.353%0.52638%0.377SS..Hα-helixtrans-68.3-40.2175.4-81.9-178.8172.8-170.40112.8Q460 L461 S468Q460-K464 HydrophobicContact CG-CD 4.45Å; Q460-K464 WeakPolarHBondContact O-CB 3.37Å; Q460-K464 VanDerWaalsContact O-CG 3.29Å; Q460-K464 WeakPolarHBondContact O-CG 3.5Å; Q460-K464 PolarHBondContact O-N 3.16Å; Q460-K464 VanDerWaalsContact O-N 3.09Å; L461-K464 PolarHBondContact O-N 3.41Å; K464-S468 WeakPolarHBondContact O-CB 3.32Å; K464-S468 PolarHBondContact O-N 3.06Å
465A88.4Confident89.4Confident31 Ų3172.5 Ų72.526%0.25637%0.369SS..Hα-helixtrans-62.8-50.2173.700000110.5L461 H462 L467 S468 E469L461-A465 PolarHBondContact O-N 2.88Å; H462-A465 PolarHBondContact O-N 3.24Å; A465-L467 VanDerWaalsContact C-N 3.32Å; A465-L467 PolarHBondContact O-N 3.26Å; A465-S468 WeakPolarHBondContact O-CB 3.39Å; A465-S468 PolarHBondContact O-N 2.95Å; A465-S468 VanDerWaalsContact O-N 3.1Å; A465-E469 WeakPolarHBondContact O-CG 3.39Å; A465-E469 PolarHBondContact O-N 3.3Å
466L92.1Very high89.1Confident37 Ų3773.1 Ų73.119%0.19437%0.371CS..Hα-helixtrans-55.6-45.1177.1-174.669.4000112.3H462 M470 L504 H507 M508H462-L466 WeakPolarHBondContact O-CB 3.1Å; H462-L466 PolarHBondContact O-N 3.03Å; L466-M470 VanDerWaalsContact O-CB 3.24Å; L466-M470 WeakPolarHBondContact O-CB 3.34Å; L466-M470 PolarHBondContact O-N 3.09Å; L466-L504 HydrophobicContact CD1-CB 4.41Å; L466-L504 HydrophobicContact CD1-CD2 3.78Å; L466-H507 HydrophobicContact CB-CB 4.16Å; L466-H507 HydrophobicContact CD1-CB 3.92Å; L466-M508 HydrophobicContact CD1-CB 4.21Å
467L91.7Very high88.7Confident92 Ų9272.9 Ų72.948%0.48237%0.37SS..Hα-helixtrans-64.3-40.8177.1-178.763.5000112.1L463 A465 M470 I471L463-L467 VanDerWaalsContact O-CB 3.31Å; L463-L467 WeakPolarHBondContact O-CB 3.14Å; L463-L467 PolarHBondContact O-N 3.27Å; A465-L467 VanDerWaalsContact C-N 3.32Å; A465-L467 PolarHBondContact O-N 3.26Å; L467-M470 HydrophobicContact CD1-CE 4.2Å; L467-M470 PolarHBondContact O-N 3.33Å; L467-I471 HydrophobicContact CD1-CD1 4.09Å; L467-I471 HydrophobicContact CD1-CG1 4.36Å; L467-I471 HydrophobicContact CG-CD1 3.92Å; L467-I471 WeakPolarHBondContact O-CD1 3.47Å; L467-I471 VanDerWaalsContact O-CG1 3.24Å; L467-I471 WeakPolarHBondContact O-CG1 3.47Å; L467-I471 PolarHBondContact O-N 3.32Å
468S90.8Very high88.5Confident60 Ų6073.1 Ų73.142%0.4238%0.377SS..Hα-helixtrans-62.3-49.9177.6-169.50000111.6K464 A465 M470 I471 I472K464-S468 WeakPolarHBondContact O-CB 3.32Å; K464-S468 PolarHBondContact O-N 3.06Å; A465-S468 WeakPolarHBondContact O-CB 3.39Å; A465-S468 PolarHBondContact O-N 2.95Å; A465-S468 VanDerWaalsContact O-N 3.1Å; S468-M470 VanDerWaalsContact C-N 3.31Å; S468-M470 PolarHBondContact O-N 3.23Å; S468-I471 PolarHBondContact O-N 3.3Å; S468-I472 VanDerWaalsContact O-CG1 3.32Å; S468-I472 WeakPolarHBondContact O-CG1 3.33Å; S468-I472 PolarHBondContact O-N 3.34Å
469E89.1Confident88.1Confident80 Ų8075.5 Ų75.537%0.37438%0.381SS..Hα-helixtrans-65.3-34.6178.5-63.7-52.9137.900111.9A465 I472 L473 L504A465-E469 WeakPolarHBondContact O-CG 3.39Å; A465-E469 PolarHBondContact O-N 3.3Å; E469-I472 PolarHBondContact O-N 3.19Å; E469-L473 WeakPolarHBondContact O-CB 3.35Å; E469-L473 PolarHBondContact O-N 3.34Å; E469-L504 HydrophobicContact CB-CD2 3.43Å; E469-L504 VanDerWaalsContact CB-CD2 3.43Å; E469-L504 HydrophobicContact CB-CG 4.39Å
470M91Very high87.1Confident100 Ų10078.4 Ų78.449%0.49340%0.396SS..Hα-helixtrans-69.4-37.8176.1-167.8173.775.700112.5L466 L467 S468 L473 E474L466-M470 VanDerWaalsContact O-CB 3.24Å; L466-M470 WeakPolarHBondContact O-CB 3.34Å; L466-M470 PolarHBondContact O-N 3.09Å; L467-M470 HydrophobicContact CD1-CE 4.2Å; L467-M470 PolarHBondContact O-N 3.33Å; S468-M470 VanDerWaalsContact C-N 3.31Å; S468-M470 PolarHBondContact O-N 3.23Å; M470-L473 PolarHBondContact O-N 3.08Å; M470-E474 WeakPolarHBondContact O-CB 3.17Å; M470-E474 PolarHBondContact O-N 3.34Å
471I89.3Confident86Confident90 Ų9081 Ų8146%0.46241%0.41SS..Hα-helixtrans-65.3-40.2172.7-70.5164.1000110.8L467 S468 L473 E474 D475L467-I471 HydrophobicContact CD1-CD1 4.09Å; L467-I471 HydrophobicContact CD1-CG1 4.36Å; L467-I471 HydrophobicContact CG-CD1 3.92Å; L467-I471 WeakPolarHBondContact O-CD1 3.47Å; L467-I471 VanDerWaalsContact O-CG1 3.24Å; L467-I471 WeakPolarHBondContact O-CG1 3.47Å; L467-I471 PolarHBondContact O-N 3.32Å; S468-I471 PolarHBondContact O-N 3.3Å; I471-L473 VanDerWaalsContact C-N 3.33Å; I471-E474 PolarHBondContact O-N 2.59Å; I471-D475 WeakPolarHBondContact O-CB 3.28Å; I471-D475 PolarHBondContact O-N 3.04Å
472I87.8Confident85.1Confident66 Ų6681.9 Ų81.934%0.33842%0.419SS..Hα-helixtrans-63.7-41.1175.4-67.5162.8000110.6S468 E469 D476S468-I472 VanDerWaalsContact O-CG1 3.32Å; S468-I472 WeakPolarHBondContact O-CG1 3.33Å; S468-I472 PolarHBondContact O-N 3.34Å; E469-I472 PolarHBondContact O-N 3.19Å; I472-D476 WeakPolarHBondContact O-CB 3.24Å; I472-D476 PolarHBondContact O-N 2.89Å
473L86.6Confident83.8Confident25 Ų2580.9 Ų80.913%0.13142%0.418CS..Hα-helixtrans-65.8-36.5176.1-172.563.9000112.6E469 M470 I471 L477 L497 R500 L501 L504E469-L473 WeakPolarHBondContact O-CB 3.35Å; E469-L473 PolarHBondContact O-N 3.34Å; M470-L473 PolarHBondContact O-N 3.08Å; I471-L473 VanDerWaalsContact C-N 3.33Å; L473-L477 VanDerWaalsContact O-CB 3.3Å; L473-L477 WeakPolarHBondContact O-CB 3.44Å; L473-L477 PolarHBondContact O-N 2.81Å; L473-L497 HydrophobicContact CD1-CD1 3.76Å; L473-R500 HydrophobicContact CD1-CB 3.96Å; L473-L501 HydrophobicContact CD2-CD2 3.77Å; L473-L501 HydrophobicContact CD2-CG 4.22Å; L473-L504 HydrophobicContact CD2-CD1 3.56Å
474E87.1Confident82.2Confident132 Ų13286.4 Ų86.462%0.61744%0.439SS*.Hα-helixtrans-67.6-46.9175.4-174.8171.6-151.300111.6M470 I471 L477 E478M470-E474 WeakPolarHBondContact O-CB 3.17Å; M470-E474 PolarHBondContact O-N 3.34Å; I471-E474 PolarHBondContact O-N 2.59Å; E474-L477 PolarHBondContact O-N 3.47Å; E474-E478 PolarHBondContact O-N 3.29Å
475D86.1Confident80.4Confident74 Ų7487.1 Ų87.140%0.39644%0.444SS..Hα-helixtrans-64-39.9176.1178.140.6000112I471 E478 K479I471-D475 WeakPolarHBondContact O-CB 3.28Å; I471-D475 PolarHBondContact O-N 3.04Å; D475-E478 PolarHBondContact O-N 3.36Å; D475-K479 WeakPolarHBondContact O-CE 3.5Å; D475-K479 VanDerWaalsContact O-CG 3.25Å; D475-K479 WeakPolarHBondContact O-CG 3.35Å; D475-K479 PolarHBondContact O-N 2.97Å; D475-K479 WeakPolarHBondContact OD1-CE 3.4Å; D475-K479 IonicContact OD1-NZ 3.61Å; D475-K479 WeakPolarHBondContact OD2-CE 3.3Å; D475-K479 IonicContact OD2-NZ 2.74Å; D475-K479 PolarHBondContact OD2-NZ 3.33Å
476D79.8Confident78.6Confident34 Ų3491.5 Ų91.518%0.18246%0.463CS..Hα-helixtrans-68.4-34.3173.4-77.2-8.4000112.4I472 K479 L480 R500I472-D476 WeakPolarHBondContact O-CB 3.24Å; I472-D476 PolarHBondContact O-N 2.89Å; D476-K479 IonicContact OD1-NZ 3.64Å; D476-K479 PolarHBondContact OD1-NZ 2.71Å; D476-L480 VanDerWaalsContact O-CG 3.28Å; D476-L480 WeakPolarHBondContact O-CG 3.27Å; D476-L480 PolarHBondContact O-N 2.85Å; D476-L480 VanDerWaalsContact O-N 3.09Å; D476-R500 IonicContact OD2-CZ 3.96Å; D476-R500 IonicContact OD2-NH1 3.48Å; D476-R500 PolarHBondContact OD2-NH1 2.98Å; D476-R500 IonicContact OD2-NH2 3.17Å; D476-R500 PolarHBondContact OD2-NH2 3.03Å
477L80.8Confident76.6Confident83 Ų8396 Ų9644%0.43549%0.492SS..Hα-helixtrans-69.2-40.4172.8-173.566.9000111.8L473 E474 L480 M481L473-L477 VanDerWaalsContact O-CB 3.3Å; L473-L477 WeakPolarHBondContact O-CB 3.44Å; L473-L477 PolarHBondContact O-N 2.81Å; E474-L477 PolarHBondContact O-N 3.47Å; L477-L480 PolarHBondContact O-N 2.62Å; L477-M481 HydrophobicContact CG-SD 4.44Å; L477-M481 WeakPolarHBondContact O-CG 3.44Å; L477-M481 PolarHBondContact O-N 2.93Å
478E82.3Confident74.8Confident127 Ų12799.2 Ų99.259%0.59351%0.505SS*.Hα-helixtrans-63.5-43.3175.5-172.5171-167.900111E474 D475 L480 M481 V482E474-E478 PolarHBondContact O-N 3.29Å; D475-E478 PolarHBondContact O-N 3.36Å; E478-L480 PolarHBondContact O-N 3.1Å; E478-M481 PolarHBondContact O-N 3.16Å; E478-M481 VanDerWaalsContact O-N 3.14Å; E478-V482 HydrophobicContact CG-CG2 4.44Å; E478-V482 WeakPolarHBondContact O-CB 3.47Å; E478-V482 WeakPolarHBondContact O-CG2 3.44Å; E478-V482 PolarHBondContact O-N 3.45Å
479K79.9Confident73.3Confident99 Ų9999.6 Ų99.643%0.4350%0.502SS..Hα-helixtrans-57.1-46172.2-71.9165.7-148.5153.30112.3D475 D476 M481 V482 S483D475-K479 WeakPolarHBondContact O-CE 3.5Å; D475-K479 VanDerWaalsContact O-CG 3.25Å; D475-K479 WeakPolarHBondContact O-CG 3.35Å; D475-K479 PolarHBondContact O-N 2.97Å; D475-K479 WeakPolarHBondContact OD1-CE 3.4Å; D475-K479 IonicContact OD1-NZ 3.61Å; D475-K479 WeakPolarHBondContact OD2-CE 3.3Å; D475-K479 IonicContact OD2-NZ 2.74Å; D475-K479 PolarHBondContact OD2-NZ 3.33Å; D476-K479 IonicContact OD1-NZ 3.64Å; D476-K479 PolarHBondContact OD1-NZ 2.71Å; K479-M481 VanDerWaalsContact C-N 3.28Å; K479-M481 PolarHBondContact O-N 2.9Å; K479-V482 PolarHBondContact O-N 3.09Å; K479-S483 PolarHBondContact O-N 3.15Å; K479-S483 PolarHBondContact O-OG 3.3Å
480L70Confident72.2Confident80 Ų8099.6 Ų99.642%0.41951%0.507SS..Hα-helixtrans-65.7-28177.5-73.7170.1000113.1D476 L477 E478 S483D476-L480 VanDerWaalsContact O-CG 3.28Å; D476-L480 WeakPolarHBondContact O-CG 3.27Å; D476-L480 PolarHBondContact O-N 2.85Å; D476-L480 VanDerWaalsContact O-N 3.09Å; L477-L480 PolarHBondContact O-N 2.62Å; E478-L480 PolarHBondContact O-N 3.1Å; L480-S483 PolarHBondContact O-OG 2.91Å
481M69.1Low71.1Confident132 Ų132101.7 Ų101.765%0.6552%0.519SS*.Hα-helixtrans-79.7-29.5173.9-73179.459.400113L477 E478 K479L477-M481 HydrophobicContact CG-SD 4.44Å; L477-M481 WeakPolarHBondContact O-CG 3.44Å; L477-M481 PolarHBondContact O-N 2.93Å; E478-M481 PolarHBondContact O-N 3.16Å; E478-M481 VanDerWaalsContact O-N 3.14Å; K479-M481 VanDerWaalsContact C-N 3.28Å; K479-M481 PolarHBondContact O-N 2.9Å
482V72.5Confident70.1Confident113 Ų113101.5 Ų101.569%0.68552%0.517SS*.Hα-helixtrans-83.4-33.9178.4171.70000111.8E478 K479E478-V482 HydrophobicContact CG-CG2 4.44Å; E478-V482 WeakPolarHBondContact O-CB 3.47Å; E478-V482 WeakPolarHBondContact O-CG2 3.44Å; E478-V482 PolarHBondContact O-N 3.45Å; K479-V482 PolarHBondContact O-N 3.09Å
483S63Low69.5Low38 Ų3899.8 Ų99.827%0.26652%0.515SS..SBendtrans-68.1131.7167.869.70000109.8K479 L480 E485K479-S483 PolarHBondContact O-N 3.15Å; K479-S483 PolarHBondContact O-OG 3.3Å; L480-S483 PolarHBondContact O-OG 2.91Å; S483-E485 PolarHBondContact O-N 2.69Å
484K57.4Low68.9Low201 Ų201105.5 Ų105.587%0.87454%0.536SS*.G310 helixtrans-72.321-179.6-93.2-177.9173.9178.70114.4L486K484-L486 PolarHBondContact O-N 3.46Å
485E53.2Low68.5Low135 Ų135105.7 Ų105.763%0.63153%0.531SS*.G310 helixtrans-75.9-5.2175.9-69.9179.3140.500113.1S483 T487 E488S483-E485 PolarHBondContact O-N 2.69Å; E485-T487 PolarHBondContact O-N 3.2Å; E485-E488 CarbonylContact O-C 3.59Å; E485-E488 PolarHBondContact O-N 2.75Å; E485-E488 VanDerWaalsContact O-N 3.09Å
486L52.3Low68.2Low123 Ų123106 Ų10664%0.64453%0.532SS*.G310 helixtrans-51.9-16.6174-160.673.6000114.8K484 E488K484-L486 PolarHBondContact O-N 3.46Å; L486-E488 VanDerWaalsContact C-N 3.34Å
487T48.2Very low68.3Low132 Ų132107 Ų10781%0.8154%0.537SS*.G310 helixtrans-72.1-26.1179.6-33.40000113E485E485-T487 PolarHBondContact O-N 3.2Å
488E55.3Low68.3Low160 Ų160105.6 Ų105.675%0.74854%0.535SS*.G310 helixtrans-141.481.1170.3-70.1-170.5-178.200109.7E485 L486 T490E485-E488 CarbonylContact O-C 3.59Å; E485-E488 PolarHBondContact O-N 2.75Å; E485-E488 VanDerWaalsContact O-N 3.09Å; L486-E488 VanDerWaalsContact C-N 3.34Å; E488-T490 PolarHBondContact O-N 3.39Å
489L58.6Low68.5Low68 Ų68104.2 Ų104.236%0.35653%0.528SS..  trans-67.891.9164.8-143.490.7000107.9Y494L489-Y494 HydrophobicContact CB-CE2 3.93Å; L489-Y494 HydrophobicContact CD2-CD1 3.89Å; L489-Y494 HydrophobicContact CD2-CD2 3.9Å; L489-Y494 HydrophobicContact CD2-CE1 3.52Å; L489-Y494 HydrophobicContact CD2-CE2 3.55Å; L489-Y494 HydrophobicContact CD2-CG 4.07Å; L489-Y494 HydrophobicContact CG-CE2 4.22Å
490T66.2Low68.6Low79 Ų79104.3 Ų104.349%0.48553%0.526SS..  trans-61156.7-17662.80000111E488 E492 G493 Y494E488-T490 PolarHBondContact O-N 3.39Å; T490-E492 PolarHBondContact O-N 3.03Å; T490-G493 PolarHBondContact O-N 3.31Å; T490-Y494 PolarHBondContact O-N 2.84Å
491L67.6Low69.3Low145 Ų145105 Ų10576%0.75953%0.529SS*.Hα-helixtrans-57.1-25.4179.2-169.7144.2000112.4R495L491-R495 WeakPolarHBondContact O-CB 3.11Å; L491-R495 PolarHBondContact O-N 2.92Å
492E69.3Low70.1Confident86 Ų86104.1 Ų104.140%0.40252%0.524SS..Hα-helixtrans-72.5-38.9174.8-152.271.8163.300112.2T490 Y494 R495 D496T490-E492 PolarHBondContact O-N 3.03Å; E492-Y494 PolarHBondContact O-N 3.47Å; E492-R495 CarbonylContact O-C 3.53Å; E492-R495 WeakPolarHBondContact O-CA 3.32Å; E492-R495 WeakPolarHBondContact O-CB 3.49Å; E492-R495 PolarHBondContact O-N 3.26Å; E492-R495 IonicContact OE1-CZ 2.72Å; E492-R495 IonicContact OE1-NH1 2.75Å; E492-R495 PolarHBondContact OE1-NH1 3.19Å; E492-R495 WeakPolarHBondContact OE2-CD 3.45Å; E492-R495 IonicContact OE2-CZ 3.43Å; E492-R495 IonicContact OE2-NH1 3.29Å; E492-R495 PolarHBondContact OE2-NH1 3.32Å; E492-D496 PolarHBondContact O-N 3.44Å
493G74.2Confident70.7Confident29 Ų29103.7 Ų103.730%0.29951%0.514SS..Hα-helixtrans-63.9-36.8176.100000113.7T490 R495 L497T490-G493 PolarHBondContact O-N 3.31Å; G493-R495 VanDerWaalsContact C-N 3.3Å; G493-L497 PolarHBondContact O-N 2.99Å; G493-L497 VanDerWaalsContact O-N 3.16Å
494Y74.9Confident71.8Confident145 Ų145102.9 Ų102.957%0.56951%0.507SS*.Hα-helixtrans-67.4-30.7170.6-77.4-67.7000112.9L489 T490 E492 S498L489-Y494 HydrophobicContact CB-CE2 3.93Å; L489-Y494 HydrophobicContact CD2-CD1 3.89Å; L489-Y494 HydrophobicContact CD2-CD2 3.9Å; L489-Y494 HydrophobicContact CD2-CE1 3.52Å; L489-Y494 HydrophobicContact CD2-CE2 3.55Å; L489-Y494 HydrophobicContact CD2-CG 4.07Å; L489-Y494 HydrophobicContact CG-CE2 4.22Å; T490-Y494 PolarHBondContact O-N 2.84Å; E492-Y494 PolarHBondContact O-N 3.47Å; Y494-S498 WeakPolarHBondContact O-CB 3.17Å; Y494-S498 PolarHBondContact O-N 2.85Å; Y494-S498 VanDerWaalsContact O-N 3.09Å
495R78.9Confident73.3Confident136 Ų13697.8 Ų97.851%0.51349%0.486SS..Hα-helixtrans-74.7-42.3178.3178.2178.9160.4-147.4-12.1111.4L491 E492 G493 L497 S498 E499L491-R495 WeakPolarHBondContact O-CB 3.11Å; L491-R495 PolarHBondContact O-N 2.92Å; E492-R495 CarbonylContact O-C 3.53Å; E492-R495 WeakPolarHBondContact O-CA 3.32Å; E492-R495 WeakPolarHBondContact O-CB 3.49Å; E492-R495 PolarHBondContact O-N 3.26Å; E492-R495 IonicContact OE1-CZ 2.72Å; E492-R495 IonicContact OE1-NH1 2.75Å; E492-R495 PolarHBondContact OE1-NH1 3.19Å; E492-R495 WeakPolarHBondContact OE2-CD 3.45Å; E492-R495 IonicContact OE2-CZ 3.43Å; E492-R495 IonicContact OE2-NH1 3.29Å; E492-R495 PolarHBondContact OE2-NH1 3.32Å; G493-R495 VanDerWaalsContact C-N 3.3Å; R495-L497 VanDerWaalsContact C-N 3.33Å; R495-L497 PolarHBondContact O-N 3.32Å; R495-S498 CarbonylContact O-C 3.57Å; R495-S498 WeakPolarHBondContact O-CB 3.21Å; R495-S498 PolarHBondContact O-N 2.97Å; R495-S498 VanDerWaalsContact O-N 3.15Å; R495-E499 PolarHBondContact O-N 3.38Å
496D79.3Confident74.9Confident80 Ų8094.7 Ų94.743%0.42848%0.478SS..Hα-helixtrans-62.3-40.4174.3-70-2.9000111.6E492 S498 E499 R500E492-D496 PolarHBondContact O-N 3.44Å; D496-S498 VanDerWaalsContact C-N 3.35Å; D496-E499 PolarHBondContact O-N 3Å; D496-R500 WeakPolarHBondContact O-CG 3.26Å; D496-R500 PolarHBondContact O-N 2.76Å
497L80.6Confident76.6Confident55 Ų5591.7 Ų91.729%0.28846%0.46SS..Hα-helixtrans-63.5-40.6173.2-169.474.1000111.6L473 G493 R495 L501L473-L497 HydrophobicContact CD1-CD1 3.76Å; G493-L497 PolarHBondContact O-N 2.99Å; G493-L497 VanDerWaalsContact O-N 3.16Å; R495-L497 VanDerWaalsContact C-N 3.33Å; R495-L497 PolarHBondContact O-N 3.32Å; L497-L501 HydrophobicContact CG-CD1 4.4Å; L497-L501 WeakPolarHBondContact O-CB 3.33Å; L497-L501 WeakPolarHBondContact O-CG 3.5Å; L497-L501 PolarHBondContact O-N 3.19Å
498S82.4Confident78.5Confident54 Ų5490.7 Ų90.738%0.37845%0.448SS..Hα-helixtrans-64.5-38.6174.6-175.50000112.4Y494 R495 D496 L501 Q502Y494-S498 WeakPolarHBondContact O-CB 3.17Å; Y494-S498 PolarHBondContact O-N 2.85Å; Y494-S498 VanDerWaalsContact O-N 3.09Å; R495-S498 CarbonylContact O-C 3.57Å; R495-S498 WeakPolarHBondContact O-CB 3.21Å; R495-S498 PolarHBondContact O-N 2.97Å; R495-S498 VanDerWaalsContact O-N 3.15Å; D496-S498 VanDerWaalsContact C-N 3.35Å; S498-L501 PolarHBondContact O-N 3.46Å; S498-Q502 VanDerWaalsContact O-CG 3.27Å; S498-Q502 WeakPolarHBondContact O-CG 3.31Å; S498-Q502 PolarHBondContact O-N 3.43Å; S498-Q502 PolarHBondContact O-NE2 2.98Å; S498-Q502 PolarHBondContact OG-NE2 2.92Å
499E85.7Confident80.2Confident99 Ų9988.8 Ų88.846%0.46344%0.439SS..Hα-helixtrans-67.8-43.4177.3-168.7172.1152.500111.5R495 D496 L501 Q502 Q503R495-E499 PolarHBondContact O-N 3.38Å; D496-E499 PolarHBondContact O-N 3Å; E499-L501 PolarHBondContact O-N 3.16Å; E499-Q502 WeakPolarHBondContact O-CB 3.27Å; E499-Q502 PolarHBondContact O-N 2.75Å; E499-Q502 VanDerWaalsContact O-N 3.11Å; E499-Q503 WeakPolarHBondContact O-CG 3.5Å; E499-Q503 PolarHBondContact O-N 2.71Å
500R81.4Confident81.7Confident101 Ų10187 Ų8738%0.38143%0.434SS..Hα-helixtrans-64.4-36.9174.3-71.1166.9171.5-110.722.7112.7L473 D476 D496 Q502 Q503 L504L473-R500 HydrophobicContact CD1-CB 3.96Å; D476-R500 IonicContact OD2-CZ 3.96Å; D476-R500 IonicContact OD2-NH1 3.48Å; D476-R500 PolarHBondContact OD2-NH1 2.98Å; D476-R500 IonicContact OD2-NH2 3.17Å; D476-R500 PolarHBondContact OD2-NH2 3.03Å; D496-R500 WeakPolarHBondContact O-CG 3.26Å; D496-R500 PolarHBondContact O-N 2.76Å; R500-Q502 VanDerWaalsContact C-N 3.33Å; R500-Q503 WeakPolarHBondContact O-CB 3.4Å; R500-Q503 PolarHBondContact O-N 3.1Å; R500-L504 PolarHBondContact O-N 3.15Å
501L85.7Confident82.9Confident94 Ų9484 Ų8449%0.49242%0.416SS..Hα-helixtrans-65.1-35170.8-76.7167.2000112.5L473 L497 S498 E499 Q503 L504 Q505L473-L501 HydrophobicContact CD2-CD2 3.77Å; L473-L501 HydrophobicContact CD2-CG 4.22Å; L497-L501 HydrophobicContact CG-CD1 4.4Å; L497-L501 WeakPolarHBondContact O-CB 3.33Å; L497-L501 WeakPolarHBondContact O-CG 3.5Å; L497-L501 PolarHBondContact O-N 3.19Å; S498-L501 PolarHBondContact O-N 3.46Å; E499-L501 PolarHBondContact O-N 3.16Å; L501-Q503 VanDerWaalsContact C-N 3.34Å; L501-L504 HydrophobicContact CD2-CD1 4.25Å; L501-L504 PolarHBondContact O-N 2.77Å; L501-Q505 PolarHBondContact O-N 3.23Å
502Q86Confident84Confident114 Ų11479 Ų7953%0.53340%0.396SS..Hα-helixtrans-69.2-31173.1-72.2167.741.200112.3S498 E499 R500 L504 Q505 P506S498-Q502 VanDerWaalsContact O-CG 3.27Å; S498-Q502 WeakPolarHBondContact O-CG 3.31Å; S498-Q502 PolarHBondContact O-N 3.43Å; S498-Q502 PolarHBondContact O-NE2 2.98Å; S498-Q502 PolarHBondContact OG-NE2 2.92Å; E499-Q502 WeakPolarHBondContact O-CB 3.27Å; E499-Q502 PolarHBondContact O-N 2.75Å; E499-Q502 VanDerWaalsContact O-N 3.11Å; R500-Q502 VanDerWaalsContact C-N 3.33Å; Q502-L504 VanDerWaalsContact C-N 3.34Å; Q502-Q505 WeakPolarHBondContact O-CB 3.42Å; Q502-Q505 PolarHBondContact O-N 2.97Å; Q502-P506 WeakPolarHBondContact O-CD 3.39Å
503Q85.3Confident85Confident103 Ų10376.3 Ų76.348%0.48139%0.391SS..Hα-helixtrans-68.6-29.6173.7-67.9167.18.600112.7E499 R500 L501 P506E499-Q503 WeakPolarHBondContact O-CG 3.5Å; E499-Q503 PolarHBondContact O-N 2.71Å; R500-Q503 WeakPolarHBondContact O-CB 3.4Å; R500-Q503 PolarHBondContact O-N 3.1Å; L501-Q503 VanDerWaalsContact C-N 3.34Å; Q503-P506 VanDerWaalsContact O-CD 3.31Å; Q503-P506 WeakPolarHBondContact O-CD 3.31Å; Q503-P506 WeakPolarHBondContact O-CG 3.49Å
504L86.3Confident85.8Confident22 Ų2275.9 Ų75.912%0.11538%0.383CS..Hα-helixtrans-71.3-30.2172.1-75163.7000113.4L466 E469 L473 R500 L501 Q502 H507 M508L466-L504 HydrophobicContact CD1-CB 4.41Å; L466-L504 HydrophobicContact CD1-CD2 3.78Å; E469-L504 HydrophobicContact CB-CD2 3.43Å; E469-L504 VanDerWaalsContact CB-CD2 3.43Å; E469-L504 HydrophobicContact CB-CG 4.39Å; L473-L504 HydrophobicContact CD2-CD1 3.56Å; R500-L504 PolarHBondContact O-N 3.15Å; L501-L504 HydrophobicContact CD2-CD1 4.25Å; L501-L504 PolarHBondContact O-N 2.77Å; Q502-L504 VanDerWaalsContact C-N 3.34Å; L504-H507 PolarHBondContact O-N 2.89Å; L504-H507 VanDerWaalsContact O-N 3.15Å; L504-M508 PolarHBondContact O-N 3.43Å
505Q87.8Confident86.6Confident93 Ų9376.4 Ų76.444%0.43538%0.384SS..Hα-helixtrans-54.5-47.1-175.9-171.5173-26.500115.1L501 Q502 H507 M508 Q509L501-Q505 PolarHBondContact O-N 3.23Å; Q502-Q505 WeakPolarHBondContact O-CB 3.42Å; Q502-Q505 PolarHBondContact O-N 2.97Å; Q505-H507 VanDerWaalsContact C-N 3.34Å; Q505-H507 PolarHBondContact O-N 3.08Å; Q505-M508 PolarHBondContact O-N 3.32Å; Q505-Q509 HydrophobicContact CG-CG 4.42Å; Q505-Q509 WeakPolarHBondContact O-CB 3.23Å; Q505-Q509 WeakPolarHBondContact O-CG 3.46Å; Q505-Q509 PolarHBondContact O-N 2.88Å
506P87.8Confident87.3Confident70 Ų7075.9 Ų75.946%0.45539%0.388SS..Hα-helixtrans-64.3-34.5176.824.3-35.3000113Q502 Q503 A510Q502-P506 WeakPolarHBondContact O-CD 3.39Å; Q503-P506 VanDerWaalsContact O-CD 3.31Å; Q503-P506 WeakPolarHBondContact O-CD 3.31Å; Q503-P506 WeakPolarHBondContact O-CG 3.49Å; P506-A510 WeakPolarHBondContact O-CB 3.43Å; P506-A510 PolarHBondContact O-N 3.46Å
507H86.8Confident87.8Confident60 Ų6076.9 Ų76.928%0.27839%0.393SS..Hα-helixtrans-68.1-40.7175.4-69.7-78.5000111.6L466 L504 Q505 S511L466-H507 HydrophobicContact CB-CB 4.16Å; L466-H507 HydrophobicContact CD1-CB 3.92Å; L504-H507 PolarHBondContact O-N 2.89Å; L504-H507 VanDerWaalsContact O-N 3.15Å; Q505-H507 VanDerWaalsContact C-N 3.34Å; Q505-H507 PolarHBondContact O-N 3.08Å; H507-S511 WeakPolarHBondContact O-CB 3.42Å; H507-S511 PolarHBondContact O-N 2.93Å; H507-S511 PolarHBondContact O-OG 3.39Å
508M89.1Confident88.3Confident111 Ų11174.7 Ų74.755%0.54738%0.382SS..Hα-helixtrans-62.4-49.5174.5-174170.162.100111.1L466 L504 Q505 S511 A512L466-M508 HydrophobicContact CD1-CB 4.21Å; L504-M508 PolarHBondContact O-N 3.43Å; Q505-M508 PolarHBondContact O-N 3.32Å; M508-S511 PolarHBondContact O-N 3.29Å; M508-S511 PolarHBondContact O-OG 3.5Å; M508-A512 PolarHBondContact O-N 3.33Å
509Q91.2Very high88.7Confident121 Ų12174.6 Ų74.657%0.56538%0.379SS*.Hα-helixtrans-61.8-44177.4-72.2178.5-15.100112.6Q505 S511 A512 G513Q505-Q509 HydrophobicContact CG-CG 4.42Å; Q505-Q509 WeakPolarHBondContact O-CB 3.23Å; Q505-Q509 WeakPolarHBondContact O-CG 3.46Å; Q505-Q509 PolarHBondContact O-N 2.88Å; Q509-S511 VanDerWaalsContact C-N 3.34Å; Q509-S511 PolarHBondContact O-N 2.9Å; Q509-A512 PolarHBondContact O-N 3.03Å; Q509-G513 PolarHBondContact O-N 2.95Å
510A89.1Confident88.9Confident31 Ų3172.7 Ų72.726%0.25638%0.376SS..Hα-helixtrans-65.7-35.9176.900000112.5H462 P506 C514H462-A510 WeakPolarHBondContact ND1-CB 3.35Å; P506-A510 WeakPolarHBondContact O-CB 3.43Å; P506-A510 PolarHBondContact O-N 3.46Å; A510-C514 WeakPolarHBondContact O-CB 3.45Å; A510-C514 PolarHBondContact O-N 3.32Å; A510-C514 PolarHBondContact O-SG 2.81Å
511S91.4Very high89.2Confident14 Ų1469.1 Ų69.110%0.09836%0.364CS..Hα-helixtrans-67.8-39.2174.275.80000112.4L459 H507 M508 Q509 W515L459-S511 WeakPolarHBondContact CD1-O 3.44Å; H507-S511 WeakPolarHBondContact O-CB 3.42Å; H507-S511 PolarHBondContact O-N 2.93Å; H507-S511 PolarHBondContact O-OG 3.39Å; M508-S511 PolarHBondContact O-N 3.29Å; M508-S511 PolarHBondContact O-OG 3.5Å; Q509-S511 VanDerWaalsContact C-N 3.34Å; Q509-S511 PolarHBondContact O-N 2.9Å; S511-W515 WeakPolarHBondContact O-CB 3.35Å; S511-W515 PolarHBondContact O-N 3.09Å
512A90.6Very high89.4Confident42 Ų4268.1 Ų68.135%0.34736%0.361SS..Hα-helixtrans-65-47174.800000111.5M508 Q509 W515 E516M508-A512 PolarHBondContact O-N 3.33Å; Q509-A512 PolarHBondContact O-N 3.03Å; A512-W515 WeakPolarHBondContact O-CB 3.28Å; A512-W515 PolarHBondContact O-N 3.44Å; A512-E516 WeakPolarHBondContact O-CG 3.36Å; A512-E516 PolarHBondContact O-N 3.14Å
513G90.4Very high89.5Confident29 Ų2966.9 Ų66.930%0.29936%0.355SS..Hα-helixtrans-61.3-45.7175.700000112.8Q509 W515 E516 D517Q509-G513 PolarHBondContact O-N 2.95Å; G513-W515 VanDerWaalsContact C-N 3.28Å; G513-W515 PolarHBondContact O-N 3.06Å; G513-E516 PolarHBondContact O-N 3.26Å; G513-D517 WeakPolarHBondContact O-CB 3.38Å; G513-D517 PolarHBondContact O-N 3.46Å
514C91.3Very high89.6Confident19 Ų1967 Ų6713%0.12835%0.352CS..Hα-helixtrans-61.8-35.8174.6-70.30000112.3L459 A510 T518L459-C514 HydrophobicContact CB-CB 3.91Å; L459-C514 HydrophobicContact CD1-CB 4.01Å; A510-C514 WeakPolarHBondContact O-CB 3.45Å; A510-C514 PolarHBondContact O-N 3.32Å; A510-C514 PolarHBondContact O-SG 2.81Å; C514-T518 VanDerWaalsContact O-CG2 3.26Å; C514-T518 WeakPolarHBondContact O-CG2 3.47Å; C514-T518 PolarHBondContact O-N 3.2Å; C514-T518 PolarHBondContact O-OG1 3.29Å
515W92.4Very high89.5Confident157 Ų15767.9 Ų67.960%0.59536%0.355SS*.Hα-helixtrans-65.5-51.5175.2170.7-104.8000111.1L459 S511 A512 G513 D517 T518 V519L459-W515 HydrophobicContact CD1-CB 4.1Å; L459-W515 HydrophobicContact CD2-CB 4.44Å; L459-W515 HydrophobicContact CD2-CE3 3.83Å; S511-W515 WeakPolarHBondContact O-CB 3.35Å; S511-W515 PolarHBondContact O-N 3.09Å; A512-W515 WeakPolarHBondContact O-CB 3.28Å; A512-W515 PolarHBondContact O-N 3.44Å; G513-W515 VanDerWaalsContact C-N 3.28Å; G513-W515 PolarHBondContact O-N 3.06Å; W515-D517 VanDerWaalsContact C-N 3.31Å; W515-D517 PolarHBondContact O-N 2.71Å; W515-T518 WeakPolarHBondContact CA-OG1 3.48Å; W515-T518 PolarHBondContact O-N 2.98Å; W515-T518 VanDerWaalsContact O-N 3.13Å; W515-T518 PolarHBondContact O-OG1 3.3Å; W515-V519 HydrophobicContact CD2-CG2 4.02Å; W515-V519 HydrophobicContact CE3-CG2 4.4Å; W515-V519 HydrophobicContact CH2-CG2 4.27Å; W515-V519 HydrophobicContact CZ2-CG2 3.84Å; W515-V519 WeakPolarHBondContact O-CG2 3.42Å; W515-V519 PolarHBondContact O-N 3.42Å
516E93.1Very high89.4Confident124 Ų12468.3 Ų68.358%0.57936%0.36SS*.Hα-helixtrans-56.7-42.8176.3-72172.7-163.400112A512 G513 V519 C520A512-E516 WeakPolarHBondContact O-CG 3.36Å; A512-E516 PolarHBondContact O-N 3.14Å; G513-E516 PolarHBondContact O-N 3.26Å; E516-V519 PolarHBondContact O-N 2.89Å; E516-C520 VanDerWaalsContact O-CB 3.24Å; E516-C520 WeakPolarHBondContact O-CB 3.41Å; E516-C520 PolarHBondContact O-N 3.24Å; E516-C520 PolarHBondContact O-SG 3.3Å; E516-C520 VanDerWaalsContact O-SG 3.41Å
517D89.4Confident89.2Confident102 Ų10271.7 Ų71.755%0.54536%0.364SS..Hα-helixtrans-61.9-45.5174.6-86.1-28.4000112.4G513 W515 Q521G513-D517 WeakPolarHBondContact O-CB 3.38Å; G513-D517 PolarHBondContact O-N 3.46Å; W515-D517 VanDerWaalsContact C-N 3.31Å; W515-D517 PolarHBondContact O-N 2.71Å; D517-Q521 WeakPolarHBondContact O-CB 3.31Å; D517-Q521 PolarHBondContact O-N 2.94Å
518T90.4Very high88.9Confident8 Ų875.1 Ų75.15%0.04937%0.374CS..Hα-helixtrans-63.3-43176.957.20000112S455 I456 C514 W515 Q521 V522S455-T518 WeakPolarHBondContact OG-CG2 3.49Å; I456-T518 HydrophobicContact CG1-CG2 4.08Å; C514-T518 VanDerWaalsContact O-CG2 3.26Å; C514-T518 WeakPolarHBondContact O-CG2 3.47Å; C514-T518 PolarHBondContact O-N 3.2Å; C514-T518 PolarHBondContact O-OG1 3.29Å; W515-T518 WeakPolarHBondContact CA-OG1 3.48Å; W515-T518 PolarHBondContact O-N 2.98Å; W515-T518 VanDerWaalsContact O-N 3.13Å; W515-T518 PolarHBondContact O-OG1 3.3Å; T518-Q521 WeakPolarHBondContact O-CB 3.45Å; T518-Q521 PolarHBondContact O-N 3.42Å; T518-V522 WeakPolarHBondContact O-CG2 3.43Å; T518-V522 PolarHBondContact O-N 2.99Å
519V91.2Very high88.3Confident53 Ų5372.2 Ų72.232%0.32137%0.368SS..Hα-helixtrans-65.2-50.7178.1173.30000110.2W515 E516 Q521 V522 E523W515-V519 HydrophobicContact CD2-CG2 4.02Å; W515-V519 HydrophobicContact CE3-CG2 4.4Å; W515-V519 HydrophobicContact CH2-CG2 4.27Å; W515-V519 HydrophobicContact CZ2-CG2 3.84Å; W515-V519 WeakPolarHBondContact O-CG2 3.42Å; W515-V519 PolarHBondContact O-N 3.42Å; E516-V519 PolarHBondContact O-N 2.89Å; V519-Q521 PolarHBondContact O-N 3.01Å; V519-V522 PolarHBondContact O-N 2.87Å; V519-V522 VanDerWaalsContact O-N 3.16Å; V519-E523 WeakPolarHBondContact O-CG 3.31Å; V519-E523 PolarHBondContact O-N 2.98Å
520C89.3Confident87.5Confident58 Ų5871.2 Ų71.239%0.39237%0.366SS..Hα-helixtrans-59.2-29.5175.1-78.30000112.7E516 R524E516-C520 VanDerWaalsContact O-CB 3.24Å; E516-C520 WeakPolarHBondContact O-CB 3.41Å; E516-C520 PolarHBondContact O-N 3.24Å; E516-C520 PolarHBondContact O-SG 3.3Å; E516-C520 VanDerWaalsContact O-SG 3.41Å; C520-R524 WeakPolarHBondContact O-CB 3.34Å; C520-R524 VanDerWaalsContact O-CG 3.26Å; C520-R524 WeakPolarHBondContact O-CG 3.26Å; C520-R524 PolarHBondContact O-N 3.49Å; C520-R524 PolarHBondContact O-NE 2.94Å
521Q88.1Confident86.6Confident27 Ų2773.4 Ų73.413%0.12639%0.385CS..Hα-helixtrans-72.4-47174.6-173.7168.11400112.1A451 L452 S455 D517 T518 V519 E523 R524 M525A451-Q521 VanDerWaalsContact CB-NE2 3.28Å; L452-Q521 HydrophobicContact CD1-CG 4.32Å; L452-Q521 VanDerWaalsContact N-NE2 3.14Å; S455-Q521 PolarHBondContact OG-OE1 3.15Å; D517-Q521 WeakPolarHBondContact O-CB 3.31Å; D517-Q521 PolarHBondContact O-N 2.94Å; T518-Q521 WeakPolarHBondContact O-CB 3.45Å; T518-Q521 PolarHBondContact O-N 3.42Å; V519-Q521 PolarHBondContact O-N 3.01Å; Q521-E523 VanDerWaalsContact C-N 3.35Å; Q521-E523 PolarHBondContact O-N 3.26Å; Q521-R524 PolarHBondContact O-N 3Å; Q521-M525 WeakPolarHBondContact O-CG 3.46Å; Q521-M525 PolarHBondContact O-N 3.4Å
522V89.6Confident84.9Confident73 Ų7377 Ų7744%0.44241%0.409SS..Hα-helixtrans-61.8-42.3175.2173.10000111L452 T518 V519 R524 M525 L526L452-V522 HydrophobicContact CD1-CG2 3.68Å; L452-V522 HydrophobicContact CD2-CG2 4.02Å; T518-V522 WeakPolarHBondContact O-CG2 3.43Å; T518-V522 PolarHBondContact O-N 2.99Å; V519-V522 PolarHBondContact O-N 2.87Å; V519-V522 VanDerWaalsContact O-N 3.16Å; V522-R524 VanDerWaalsContact C-N 3.34Å; V522-R524 PolarHBondContact O-N 2.93Å; V522-M525 PolarHBondContact O-N 3.02Å; V522-L526 WeakPolarHBondContact O-CB 3.41Å; V522-L526 PolarHBondContact O-N 3.44Å
523E89.3Confident83.3Confident87 Ų8781 Ų8141%0.40743%0.429SS..Hα-helixtrans-61.4-39.4174.7-74.9-173-173.200113.3V519 Q521 L526 R527V519-E523 WeakPolarHBondContact O-CG 3.31Å; V519-E523 PolarHBondContact O-N 2.98Å; Q521-E523 VanDerWaalsContact C-N 3.35Å; Q521-E523 PolarHBondContact O-N 3.26Å; E523-L526 PolarHBondContact O-N 3.39Å; E523-R527 WeakPolarHBondContact O-CB 3.36Å; E523-R527 VanDerWaalsContact O-CG 3.3Å; E523-R527 WeakPolarHBondContact O-CG 3.44Å; E523-R527 PolarHBondContact O-N 3.39Å; E523-R527 PolarHBondContact O-NE 3.29Å; E523-R527 IonicContact OE2-CZ 3.13Å; E523-R527 IonicContact OE2-NH2 2.82Å; E523-R527 PolarHBondContact OE2-NH2 2.92Å
524R87.1Confident80.8Confident107 Ų10781.9 Ų81.940%0.40444%0.438SS..Hα-helixtrans-64.3-41.6175.5-80.6174.8-72.9155.5-7.3111C520 Q521 V522 R528C520-R524 WeakPolarHBondContact O-CB 3.34Å; C520-R524 VanDerWaalsContact O-CG 3.26Å; C520-R524 WeakPolarHBondContact O-CG 3.26Å; C520-R524 PolarHBondContact O-N 3.49Å; C520-R524 PolarHBondContact O-NE 2.94Å; Q521-R524 PolarHBondContact O-N 3Å; V522-R524 VanDerWaalsContact C-N 3.34Å; V522-R524 PolarHBondContact O-N 2.93Å; R524-R528 VanDerWaalsContact O-CG 3.31Å; R524-R528 WeakPolarHBondContact O-CG 3.29Å; R524-R528 PolarHBondContact O-N 3.12Å
525M84.7Confident78.1Confident39 Ų3987.3 Ų87.319%0.19247%0.466CS..Hα-helixtrans-64.5-42.6174.8-68174.469.100111.6E448 L449 L452 Q521 V522 R528 A529E448-M525 HydrophobicContact CB-CE 3.89Å; E448-M525 HydrophobicContact CB-CG 4.43Å; E448-M525 HydrophobicContact CB-SD 4.14Å; L449-M525 HydrophobicContact CD2-CE 4.07Å; L449-M525 HydrophobicContact CG-CE 4.38Å; L452-M525 HydrophobicContact CB-SD 4.43Å; L452-M525 HydrophobicContact CD2-SD 4.07Å; Q521-M525 WeakPolarHBondContact O-CG 3.46Å; Q521-M525 PolarHBondContact O-N 3.4Å; V522-M525 PolarHBondContact O-N 3.02Å; M525-R528 PolarHBondContact O-N 3.13Å; M525-A529 WeakPolarHBondContact O-CB 3.38Å; M525-A529 PolarHBondContact O-N 3.21Å
526L84.6Confident76.1Confident102 Ų10285.7 Ų85.753%0.53448%0.476SS..Hα-helixtrans-63.5-44.5176.7-174.265.1000111.9V522 E523 R528 A529 N530V522-L526 WeakPolarHBondContact O-CB 3.41Å; V522-L526 PolarHBondContact O-N 3.44Å; E523-L526 PolarHBondContact O-N 3.39Å; L526-R528 VanDerWaalsContact C-N 3.35Å; L526-R528 PolarHBondContact O-N 3.15Å; L526-A529 PolarHBondContact O-N 3.06Å; L526-N530 WeakPolarHBondContact O-CB 3.43Å; L526-N530 VanDerWaalsContact O-CG 3.26Å; L526-N530 PolarHBondContact O-N 2.66Å; L526-N530 PolarHBondContact O-ND2 3.19Å
527R85.3Confident73.8Confident142 Ų14285.6 Ų85.654%0.53648%0.48SS..Hα-helixtrans-59.7-42.3174.6-77.5178.4-100.7163-14111.9E523 N530 A531E523-R527 WeakPolarHBondContact O-CB 3.36Å; E523-R527 VanDerWaalsContact O-CG 3.3Å; E523-R527 WeakPolarHBondContact O-CG 3.44Å; E523-R527 PolarHBondContact O-N 3.39Å; E523-R527 PolarHBondContact O-NE 3.29Å; E523-R527 IonicContact OE2-CZ 3.13Å; E523-R527 IonicContact OE2-NH2 2.82Å; E523-R527 PolarHBondContact OE2-NH2 2.92Å; R527-N530 PolarHBondContact O-N 3.02Å; R527-A531 WeakPolarHBondContact O-CB 3.31Å; R527-A531 PolarHBondContact O-N 2.98Å
528R79.8Confident71.3Confident131 Ų13188.4 Ų88.449%0.49450%0.495SS..Hα-helixtrans-66-41.1175-72.6170.9-177.3164.7-0.2112.8E448 R524 M525 L526 A531 C532E448-R528 WeakPolarHBondContact OE1-CD 3.29Å; E448-R528 IonicContact OE1-CZ 2.71Å; E448-R528 IonicContact OE1-NE 3.81Å; E448-R528 IonicContact OE1-NH1 3.5Å; E448-R528 PolarHBondContact OE1-NH1 3.46Å; R524-R528 VanDerWaalsContact O-CG 3.31Å; R524-R528 WeakPolarHBondContact O-CG 3.29Å; R524-R528 PolarHBondContact O-N 3.12Å; M525-R528 PolarHBondContact O-N 3.13Å; L526-R528 VanDerWaalsContact C-N 3.35Å; L526-R528 PolarHBondContact O-N 3.15Å; R528-A531 PolarHBondContact O-N 3.46Å; R528-C532 PolarHBondContact O-N 3.25Å; R528-C532 PolarHBondContact O-SG 2.73Å
529A76.7Confident69.1Low51 Ų5194.4 Ų94.442%0.42153%0.531SS..Hα-helixtrans-62.6-43.2176.400000111.5M525 L526 C532 T533M525-A529 WeakPolarHBondContact O-CB 3.38Å; M525-A529 PolarHBondContact O-N 3.21Å; L526-A529 PolarHBondContact O-N 3.06Å; A529-C532 PolarHBondContact O-N 3.41Å; A529-T533 PolarHBondContact O-OG1 2.75Å
530N74.7Confident66.4Low99 Ų99100.4 Ų100.453%0.52956%0.556SS.*Hα-helixtrans-69.4-39.4178.5-66.5-12.9000112L526 R527 C532 T533 G534L526-N530 WeakPolarHBondContact O-CB 3.43Å; L526-N530 VanDerWaalsContact O-CG 3.26Å; L526-N530 PolarHBondContact O-N 2.66Å; L526-N530 PolarHBondContact O-ND2 3.19Å; R527-N530 PolarHBondContact O-N 3.02Å; N530-C532 PolarHBondContact O-N 3.16Å; N530-T533 PolarHBondContact O-N 3.44Å; N530-G534 PolarHBondContact O-N 2.85Å
531A68.5Low63.9Low78 Ų78105.6 Ų105.665%0.64557%0.574SS**Hα-helixtrans-64.9-17.4174.100000114R527 R528R527-A531 WeakPolarHBondContact O-CB 3.31Å; R527-A531 PolarHBondContact O-N 2.98Å; R528-A531 PolarHBondContact O-N 3.46Å
532C56.7Low61.1Low90 Ų90114.7 Ų114.761%0.60861%0.614SS**THydrogen-bonded Turntrans-86.9-3.5170.7-65.60000113.5R528 A529 N530R528-C532 PolarHBondContact O-N 3.25Å; R528-C532 PolarHBondContact O-SG 2.73Å; A529-C532 PolarHBondContact O-N 3.41Å; N530-C532 PolarHBondContact O-N 3.16Å
533T56.2Low58.3Low124 Ų124115.1 Ų115.176%0.76163%0.625SS**THydrogen-bonded Turntrans-127-4-166.7-41.50000114A529 N530A529-T533 PolarHBondContact O-OG1 2.75Å; N530-T533 PolarHBondContact O-N 3.44Å
534G39.1Very low55.8Low48 Ų48116.9 Ų116.950%0.49564%0.644SS.*  trans-139.1146.2164.600000109.6N530N530-G534 PolarHBondContact O-N 2.85Å
535N34.7Very low53.2Low134 Ų134119.5 Ų119.572%0.71767%0.665SS**  cis-137148.315.6-129.38.9000110
536P49.9Very low51Low123 Ų123123.9 Ų123.980%0.79969%0.694SS**SBendtrans-83.2-6.9171.733.7-34.7000114.3
537D44.5Very low48.8Very low122 Ų122124.6 Ų124.665%0.65271%0.705SS**  trans-124.5107.3177.3-80.1-54.7000110.6
538D36.3Very low46.3Very low161 Ų161126.6 Ų126.686%0.86172%0.72SS**  trans-167.290.9144.2-96.2-31.8000107.9
539T44.6Very low44.5Very low133 Ų133128.4 Ų128.482%0.81674%0.739SS**  trans-97.496.3179.6-62.20000110.4
540E34.8Very low42.8Very low179 Ų179131.4 Ų131.484%0.83675%0.753SS**  trans-139.4103.1157.4-74.4-151.5134.700113.2
541Q36.2Very low41.2Very low167 Ų167131.2 Ų131.278%0.7877%0.766SS**  trans33.4108143.6-56.7178.325.800119.8
542F29.4Very low40Very low219 Ų219131.9 Ų131.996%0.96177%0.771SS**  -143.7149.8124-92.4-70.7000110.8
543A31.1Very low39.6Very low82 Ų82132.8 Ų132.868%0.67878%0.776SS**PPolyproline II helixtrans-77.4160.1-165.200000114
544P37.6Very low39.1Very low123 Ų123131.5 Ų131.580%0.79977%0.77SS**PPolyproline II helixtrans-75.3131-171.430-35.2000112.9
545L32.7Very low39Very low163 Ų163135 Ų13585%0.85379%0.787SS**PPolyproline II helixtrans-86.2123.8155.8-86.591.3000109.4P547L545-P547 WeakPolarHBondContact O-CD 3.43Å
546V37.5Very low39.4Very low131 Ų131137.7 Ų137.779%0.79479%0.788SS**PPolyproline II helixtrans-69.8122.4168.9174.50000109
547P39.4Very low39Very low117 Ų117137.1 Ų137.176%0.7679%0.785SS**PPolyproline II helixtrans-78.8129.4163.1-10.629.4000109.3L545L545-P547 WeakPolarHBondContact O-CD 3.43Å
548E32.4Very low39.1Very low184 Ų184138.4 Ų138.486%0.8679%0.791SS**PPolyproline II helixtrans-58.5143.5172.9-74.3177.111100111.6P550E548-P550 VanDerWaalsContact O-CD 3.24Å; E548-P550 WeakPolarHBondContact O-CD 3.2Å
549L41.1Very low39.8Very low169 Ų169137.6 Ų137.689%0.88579%0.785SS**  trans-75114.6177.4-162.186.2000110
550P40.9Very low40.1Very low113 Ų113137.9 Ų137.973%0.73478%0.781SS**PPolyproline II helixtrans-71.2144.1170.2-12.630.4000109.6E548E548-P550 VanDerWaalsContact O-CD 3.24Å; E548-P550 WeakPolarHBondContact O-CD 3.2Å
551A41Very low40.9Very low96 Ų96136.1 Ų136.179%0.79378%0.777SS**PPolyproline II helixtrans-58.3144.8-178.400000112.6
552A43.3Very low41.3Very low92 Ų92139.2 Ų139.276%0.7678%0.782SS**PPolyproline II helixtrans-59.8134.1178.600000111.3
553P49.4Very low42.4Very low109 Ų109134.9 Ų134.971%0.70877%0.769SS**PPolyproline II helixtrans-65.7152.417328.8-34.3000110.6
554P45.6Very low43.2Very low97 Ų97136.4 Ų136.463%0.6377%0.772SS**PPolyproline II helixtrans-60.2142177.126.5-34.5000110.7Y556P554-Y556 WeakPolarHBondContact O-CD2 3.3Å; P554-Y556 PolarHBondContact O-N 3.44Å
555S36.9Very low43.7Very low122 Ų122136.2 Ų136.285%0.85377%0.768SS**  trans-66.7102.7-179.852.90000111.1
556Y42.8Very low44.5Very low189 Ų189133.8 Ų133.874%0.74176%0.762SS**  trans-66.5142.9160.5-58.3-80.8000108.9P554 L558P554-Y556 WeakPolarHBondContact O-CD2 3.3Å; P554-Y556 PolarHBondContact O-N 3.44Å; Y556-L558 PolarHBondContact O-N 3.45Å
557P41.7Very low44.8Very low112 Ų112136.5 Ų136.573%0.72777%0.766SS**  trans-59.9125.3170.326.1-32.7000108.4I559P557-I559 VanDerWaalsContact C-N 3.33Å; P557-I559 PolarHBondContact O-N 3.16Å
558L46.7Very low45.2Very low148 Ų148139 Ų13978%0.77577%0.767SS**  trans-69.793.8175.6-167.882.8000107.7Y556 L560Y556-L558 PolarHBondContact O-N 3.45Å; L558-L560 VanDerWaalsContact C-N 3.32Å; L558-L560 HydrophobicContact CD2-CD2 3.89Å; L558-L560 HydrophobicContact CD2-CG 4.19Å; L558-L560 PolarHBondContact O-N 2.99Å
559I50.3Low45.6Very low145 Ų145137.8 Ų137.874%0.74476%0.763SS**  trans-63.2103165.1-58.2177.5000105.3P557 D561P557-I559 VanDerWaalsContact C-N 3.33Å; P557-I559 PolarHBondContact O-N 3.16Å; I559-D561 VanDerWaalsContact C-N 3.32Å; I559-D561 PolarHBondContact O-N 2.95Å
560L51.1Low45.6Very low138 Ų138137.8 Ų137.872%0.72376%0.759SS**  trans-68.998.1172.3-80.4165.4000106.7L558 R562L558-L560 VanDerWaalsContact C-N 3.32Å; L558-L560 HydrophobicContact CD2-CD2 3.89Å; L558-L560 HydrophobicContact CD2-CG 4.19Å; L558-L560 PolarHBondContact O-N 2.99Å; L560-R562 PolarHBondContact O-N 3.47Å
561D51Low45.7Very low143 Ų143139.3 Ų139.377%0.76576%0.76SS**  trans-68.875.4178.6-147.718.1000109.1I559I559-D561 VanDerWaalsContact C-N 3.32Å; I559-D561 PolarHBondContact O-N 2.95Å
562R46.3Very low45.6Very low232 Ų232142.4 Ų142.488%0.87576%0.758SS**  trans-106.864.3167-79.7-159.9169.4-150.6-3.7108.6L560L560-R562 PolarHBondContact O-N 3.47Å
563D51.9Low45.3Very low128 Ų128142.1 Ų142.168%0.68476%0.756SS**  trans-50134.5144.6-87.7-15.5000107.8V565D563-V565 PolarHBondContact O-N 3.49Å
564P47.1Very low44.6Very low114 Ų114147.1 Ų147.174%0.7476%0.762SS**  trans-65.5104.3173.826.8-32.1000108P566P564-P566 VanDerWaalsContact O-CD 3.24Å; P564-P566 WeakPolarHBondContact O-CD 3.47Å; P564-P566 VanDerWaalsContact O-N 3.11Å
565V49.5Very low44.7Very low119 Ų119148 Ų14872%0.72177%0.766SS**PPolyproline II helixtrans-52.8116.9167.6179.30000106.8D563 E567D563-V565 PolarHBondContact O-N 3.49Å; V565-E567 PolarHBondContact O-N 3.41Å
566P49Very low44.8Very low111 Ų111146.7 Ų146.772%0.72176%0.756SS**PPolyproline II helixtrans-59.5123.4169.2-17.831.5000106.6P564 E568P564-P566 VanDerWaalsContact O-CD 3.24Å; P564-P566 WeakPolarHBondContact O-CD 3.47Å; P564-P566 VanDerWaalsContact O-N 3.11Å; P566-E568 PolarHBondContact O-N 2.91Å
567E43.3Very low44.8Very low189 Ų189144.6 Ų144.688%0.88376%0.758SS**PPolyproline II helixtrans-52.1117178.3-76.1179.714400108.6V565 M569V565-E567 PolarHBondContact O-N 3.41Å; E567-M569 PolarHBondContact O-N 2.89Å
568E47.9Very low44.7Very low170 Ų170144.6 Ų144.679%0.79476%0.76SS**  trans-63.2109.9176-67.6-171.8170.500106.6P566 E570P566-E568 PolarHBondContact O-N 2.91Å; E568-E570 VanDerWaalsContact C-N 3.29Å; E568-E570 PolarHBondContact O-N 3.01Å
569M40.6Very low44.7Very low157 Ų157145.3 Ų145.377%0.77377%0.765SS**  trans-70.192.7179.5-172.5173.564.100107.9E567 L571E567-M569 PolarHBondContact O-N 2.89Å; M569-L571 VanDerWaalsContact C-N 3.35Å; M569-L571 HydrophobicContact CE-CD2 4.47Å; M569-L571 PolarHBondContact O-N 2.91Å
570E42.1Very low44.3Very low169 Ų169143.9 Ų143.979%0.7977%0.768SS**  trans-58.394.3176.8-70.2-178.5149.600109.6E568 E572E568-E570 VanDerWaalsContact C-N 3.29Å; E568-E570 PolarHBondContact O-N 3.01Å; E570-E572 PolarHBondContact O-N 3.3Å
571L41.9Very low44.2Very low146 Ų146145.3 Ų145.376%0.76478%0.776SS**  trans-77.182.1168.4-72.2171000108M569 A573M569-L571 VanDerWaalsContact C-N 3.35Å; M569-L571 HydrophobicContact CE-CD2 4.47Å; M569-L571 PolarHBondContact O-N 2.91Å; L571-A573 VanDerWaalsContact C-N 3.3Å; L571-A573 PolarHBondContact O-N 3.22Å
572E39.5Very low43.5Very low161 Ų161141.8 Ų141.875%0.75277%0.773SS**  trans-58.294.4165.9-70.7-170.5159.700109.2E570 Y574E570-E572 PolarHBondContact O-N 3.3Å; E572-Y574 PolarHBondContact O-N 3.27Å
573A36.8Very low43.6Very low85 Ų85140.5 Ų140.570%0.70278%0.778SS**  trans-66.6108169.900000107.9L571 V575L571-A573 VanDerWaalsContact C-N 3.3Å; L571-A573 PolarHBondContact O-N 3.22Å; A573-V575 VanDerWaalsContact C-N 3.3Å; A573-V575 PolarHBondContact O-N 3.09Å
574Y35.7Very low42.9Very low214 Ų214137.6 Ų137.684%0.83978%0.778SS**  trans-65.485.6-178.3-138.9-90.8000110.6E572 S576E572-Y574 PolarHBondContact O-N 3.27Å; Y574-S576 PolarHBondContact O-N 3.28Å
575V46.9Very low42.8Very low117 Ų117144.5 Ų144.571%0.70979%0.789SS**  trans-82.8109.5166.1-179.70000106.2A573 D577A573-V575 VanDerWaalsContact C-N 3.3Å; A573-V575 PolarHBondContact O-N 3.09Å; V575-D577 PolarHBondContact O-N 2.9Å; V575-D577 VanDerWaalsContact O-N 3.13Å
576S39.7Very low42.2Very low93 Ų93141.9 Ų141.965%0.6579%0.786SS**  trans-67111.9174.9-66.70000109.9Y574 S578Y574-S576 PolarHBondContact O-N 3.28Å; S576-S578 PolarHBondContact O-N 2.85Å
577D42.3Very low41.6Very low145 Ų145141.3 Ų141.378%0.77579%0.785SS**  trans-57.5130.9168.8-62.9-45.8000110.2V575V575-D577 PolarHBondContact O-N 2.9Å; V575-D577 VanDerWaalsContact O-N 3.13Å
578S39.5Very low41.3Very low112 Ų112145.2 Ų145.278%0.78379%0.792SS**  trans-152.589.4168.9-76.80000108.4S576S576-S578 PolarHBondContact O-N 2.85Å
579D47.3Very low41.1Very low163 Ų163141 Ų14187%0.87278%0.781SS**  trans-60.2133.1178.1-61.1-52.8000111.6
580S41.4Very low41.6Very low116 Ų116139.4 Ų139.481%0.81178%0.776SS**  trans-152.598.4160.2178.20000109.1
581D47.8Very low42.2Very low168 Ų168138.1 Ų138.190%0.89878%0.779SS**  trans-57144.5171.3-71.4-52.5000112
582G37.8Very low42.7Very low68 Ų68134.8 Ų134.870%0.70176%0.761SS**  trans178110.4170.700000113G584G582-G584 PolarHBondContact O-N 3.05Å
583E48.4Very low44.2Very low206 Ų206129.4 Ų129.496%0.96374%0.742SS**  trans-52.4120.1172.9-94.7103.9150.800112.6
584G35.8Very low45.4Very low67 Ų67130.4 Ų130.469%0.69174%0.741SS**  trans-151.179.2-177.500000113.2G582 G586G582-G584 PolarHBondContact O-N 3.05Å; G584-G586 PolarHBondContact O-N 3.01Å
585R45.6Very low47.1Very low258 Ų258127.6 Ų127.697%0.97474%0.735SS**  trans-57.7104168.6170.2-169-94.2-102.6-0.9110.1
586G36.8Very low48.2Very low64 Ų64127 Ų12766%0.6673%0.725SS**  trans-178.7127.2172.500000116.3G584G584-G586 PolarHBondContact O-N 3.01Å
587S37.4Very low49.6Very low99 Ų99127.6 Ų127.669%0.69271%0.713SS**  trans38.4107147.2-155.90000119.7S589S587-S589 PolarHBondContact O-N 3.13Å; S587-S589 WeakPolarHBondContact OG-CB 3.22Å; S587-S589 PolarHBondContact OG-OG 3.33Å
588W37.2Very low51.1Low272 Ų272125.4 Ų125.4100%1.0370%0.698SS**SBendtrans-71.158.1164.6-83.247.5000112.3
589S42.3Very low53Low80 Ų80128 Ų12856%0.55969%0.69SS**  trans-142.225.6-172.7-59.60000115.1S587 R597S587-S589 PolarHBondContact O-N 3.13Å; S587-S589 WeakPolarHBondContact OG-CB 3.22Å; S587-S589 PolarHBondContact OG-OG 3.33Å; S589-R597 PolarHBondContact O-NH2 2.74Å; S589-R597 VanDerWaalsContact O-NH2 3.09Å
590D52Low54.3Low125 Ų125123.9 Ų123.967%0.66867%0.666SS**  trans-151.785.5166.9-119.6-2.5000114.3R597D590-R597 IonicContact OD1-CZ 2.86Å; D590-R597 IonicContact OD1-NH1 3.15Å; D590-R597 PolarHBondContact OD1-NH1 2.89Å; D590-R597 IonicContact OD1-NH2 2.67Å; D590-R597 PolarHBondContact OD1-NH2 2.89Å
591V54.6Low56.2Low141 Ų141126.4 Ų126.486%0.85566%0.658SS**  trans-136.739.9168.5-160.70000110.1
592L52.5Low57.9Low76 Ų76125.3 Ų125.340%0.39864%0.641SS.*SBendtrans-141125.6171-70.3176.1000108.6R597L592-R597 HydrophobicContact CB-CG 3.92Å; L592-R597 HydrophobicContact CD1-CG 4.21Å; L592-R597 PolarHBondContact O-NH1 2.87Å
593S70Confident60Low49 Ų49126.3 Ų126.334%0.34363%0.628SS.*  trans-53.8146.2173.1173.50000110.4E595 E596 R597S593-E595 PolarHBondContact O-N 2.97Å; S593-E595 PolarHBondContact OG-N 3.15Å; S593-E596 VanDerWaalsContact CB-OE2 3.3Å; S593-E596 WeakPolarHBondContact CB-OE2 3.21Å; S593-E596 PolarHBondContact N-OE2 3.16Å; S593-E596 WeakPolarHBondContact O-CB 3.21Å; S593-E596 PolarHBondContact O-N 2.79Å; S593-R597 PolarHBondContact O-N 3.06Å
594P63.5Low61.5Low105 Ų105123.4 Ų123.468%0.68261%0.608SS**Hα-helixtrans-53.8-36174.719.8-31.9000112.6E598P594-E598 PolarHBondContact O-N 3.34Å
595E69.4Low63.9Low155 Ų155124.3 Ų124.372%0.72459%0.594SS**Hα-helixtrans-66.6-38.7174-75.6-178.6121.600112.6S593 E598 R599S593-E595 PolarHBondContact O-N 2.97Å; S593-E595 PolarHBondContact OG-N 3.15Å; E595-E598 PolarHBondContact O-N 2.96Å; E595-R599 WeakPolarHBondContact O-CB 3.21Å; E595-R599 PolarHBondContact O-N 2.93Å
596E70.1Confident65.6Low104 Ų104117.5 Ų117.549%0.48657%0.573SS.*Hα-helixtrans-69-38.9177.9-67.7169.9149.100111.8S593 E598 R599 Q600S593-E596 VanDerWaalsContact CB-OE2 3.3Å; S593-E596 WeakPolarHBondContact CB-OE2 3.21Å; S593-E596 PolarHBondContact N-OE2 3.16Å; S593-E596 WeakPolarHBondContact O-CB 3.21Å; S593-E596 PolarHBondContact O-N 2.79Å; E596-E598 VanDerWaalsContact C-N 3.31Å; E596-E598 PolarHBondContact O-N 3.47Å; E596-R599 PolarHBondContact O-N 3.45Å; E596-Q600 WeakPolarHBondContact O-CB 3.46Å; E596-Q600 PolarHBondContact O-N 3.36Å
597R70.3Confident67.5Low106 Ų106117.3 Ų117.340%0.456%0.562SS.*Hα-helixtrans-61-41.5170.9-83.2-165177.296.2-18.8111.5S589 D590 L592 S593 R601S589-R597 PolarHBondContact O-NH2 2.74Å; S589-R597 VanDerWaalsContact O-NH2 3.09Å; D590-R597 IonicContact OD1-CZ 2.86Å; D590-R597 IonicContact OD1-NH1 3.15Å; D590-R597 PolarHBondContact OD1-NH1 2.89Å; D590-R597 IonicContact OD1-NH2 2.67Å; D590-R597 PolarHBondContact OD1-NH2 2.89Å; L592-R597 HydrophobicContact CB-CG 3.92Å; L592-R597 HydrophobicContact CD1-CG 4.21Å; L592-R597 PolarHBondContact O-NH1 2.87Å; S593-R597 PolarHBondContact O-N 3.06Å; R597-R601 WeakPolarHBondContact O-CB 3.43Å; R597-R601 PolarHBondContact O-N 2.97Å
598E74.2Confident69.7Low100 Ų100121.9 Ų121.947%0.46756%0.564SS.*Hα-helixtrans-70.3-38.4178.9-154.4179.4145.800111.7P594 E595 E596 R601 R602P594-E598 PolarHBondContact O-N 3.34Å; E595-E598 PolarHBondContact O-N 2.96Å; E596-E598 VanDerWaalsContact C-N 3.31Å; E596-E598 PolarHBondContact O-N 3.47Å; E598-R601 WeakPolarHBondContact O-CB 3.18Å; E598-R601 PolarHBondContact O-N 3.46Å; E598-R601 VanDerWaalsContact O-N 3.13Å; E598-R602 WeakPolarHBondContact O-CG 3.26Å; E598-R602 PolarHBondContact O-N 3.48Å; E598-R602 IonicContact OE1-CZ 3.47Å; E598-R602 IonicContact OE1-NE 3.46Å; E598-R602 PolarHBondContact OE1-NE 3.3Å; E598-R602 IonicContact OE1-NH2 2.68Å; E598-R602 PolarHBondContact OE1-NH2 3.19Å
599R79.3Confident72Confident166 Ų166116.3 Ų116.363%0.62654%0.543SS*.Hα-helixtrans-60.3-48.3172.6-150.1179.4-162.1-838.4111.5E595 E596 R601 R602 E603E595-R599 WeakPolarHBondContact O-CB 3.21Å; E595-R599 PolarHBondContact O-N 2.93Å; E596-R599 PolarHBondContact O-N 3.45Å; R599-R601 PolarHBondContact O-N 2.87Å; R599-R602 PolarHBondContact O-N 3.36Å; R599-E603 IonicContact CZ-OE1 3.98Å; R599-E603 IonicContact NH1-OE1 2.73Å; R599-E603 PolarHBondContact NH1-OE1 3.2Å; R599-E603 WeakPolarHBondContact O-CB 3.22Å; R599-E603 WeakPolarHBondContact O-CG 3.22Å; R599-E603 PolarHBondContact O-N 3.48Å
600Q73.8Confident74Confident77 Ų77116.1 Ų116.136%0.3654%0.538SS..Hα-helixtrans-67.9-19.9175.8-152.1-166.853.700112.9E596 R604E596-Q600 WeakPolarHBondContact O-CB 3.46Å; E596-Q600 PolarHBondContact O-N 3.36Å; Q600-R604 VanDerWaalsContact CD-NH2 3.25Å; Q600-R604 WeakPolarHBondContact O-CB 3.42Å; Q600-R604 VanDerWaalsContact O-CG 3.28Å; Q600-R604 WeakPolarHBondContact O-CG 3.46Å; Q600-R604 PolarHBondContact O-N 3.13Å; Q600-R604 PolarHBondContact O-NH1 2.81Å; Q600-R604 VanDerWaalsContact OE1-CZ 3.24Å
601R80.6Confident74.9Confident168 Ų168115.6 Ų115.663%0.63453%0.534SS*.Hα-helixtrans-77.1-46170.6-155.6-170.4-137.5-150.67110.8R597 E598 R599 R604 E605R597-R601 WeakPolarHBondContact O-CB 3.43Å; R597-R601 PolarHBondContact O-N 2.97Å; E598-R601 WeakPolarHBondContact O-CB 3.18Å; E598-R601 PolarHBondContact O-N 3.46Å; E598-R601 VanDerWaalsContact O-N 3.13Å; R599-R601 PolarHBondContact O-N 2.87Å; R601-R604 PolarHBondContact O-N 3.34Å; R601-E605 WeakPolarHBondContact O-CG 3.42Å; R601-E605 PolarHBondContact O-N 2.97Å
602R83.8Confident75.7Confident145 Ų145112.2 Ų112.255%0.54752%0.517SS..Hα-helixtrans-60.6-47.1175.1-67.8174.1-169.4-166.95.8111.2E598 R599 R604 E605 E606E598-R602 WeakPolarHBondContact O-CG 3.26Å; E598-R602 PolarHBondContact O-N 3.48Å; E598-R602 IonicContact OE1-CZ 3.47Å; E598-R602 IonicContact OE1-NE 3.46Å; E598-R602 PolarHBondContact OE1-NE 3.3Å; E598-R602 IonicContact OE1-NH2 2.68Å; E598-R602 PolarHBondContact OE1-NH2 3.19Å; R599-R602 PolarHBondContact O-N 3.36Å; R602-R604 VanDerWaalsContact C-N 3.32Å; R602-R604 PolarHBondContact O-N 2.98Å; R602-E605 CarbonylContact O-C 3.57Å; R602-E605 PolarHBondContact O-N 3.44Å; R602-E606 WeakPolarHBondContact O-CB 3.45Å; R602-E606 WeakPolarHBondContact O-CG 3.32Å; R602-E606 PolarHBondContact O-N 3.39Å
603E83.3Confident77.1Confident90 Ų90114.2 Ų114.242%0.42152%0.524SS..Hα-helixtrans-61-36.4174.9-70.7166.4-166.800112.5R599 S607R599-E603 IonicContact CZ-OE1 3.98Å; R599-E603 IonicContact NH1-OE1 2.73Å; R599-E603 PolarHBondContact NH1-OE1 3.2Å; R599-E603 WeakPolarHBondContact O-CB 3.22Å; R599-E603 WeakPolarHBondContact O-CG 3.22Å; R599-E603 PolarHBondContact O-N 3.48Å; E603-S607 WeakPolarHBondContact O-CB 3.33Å; E603-S607 PolarHBondContact O-N 2.8Å; E603-S607 PolarHBondContact O-OG 2.77Å
604R80Confident77Confident145 Ų145115.9 Ų115.955%0.54753%0.529SS..Hα-helixtrans-70.6-35172-80.4-170.6-167.496.5-2.3113.1Q600 R601 R602 S607 R608Q600-R604 VanDerWaalsContact CD-NH2 3.25Å; Q600-R604 WeakPolarHBondContact O-CB 3.42Å; Q600-R604 VanDerWaalsContact O-CG 3.28Å; Q600-R604 WeakPolarHBondContact O-CG 3.46Å; Q600-R604 PolarHBondContact O-N 3.13Å; Q600-R604 PolarHBondContact O-NH1 2.81Å; Q600-R604 VanDerWaalsContact OE1-CZ 3.24Å; R601-R604 PolarHBondContact O-N 3.34Å; R602-R604 VanDerWaalsContact C-N 3.32Å; R602-R604 PolarHBondContact O-N 2.98Å; R604-S607 WeakPolarHBondContact CA-OG 3.13Å; R604-S607 PolarHBondContact O-OG 3.3Å; R604-R608 VanDerWaalsContact O-CB 3.32Å; R604-R608 WeakPolarHBondContact O-CB 3.33Å; R604-R608 PolarHBondContact O-N 3.34Å
605E85.3Confident77.3Confident86 Ų86118.9 Ų118.940%0.40253%0.531SS..Hα-helixtrans-73.7-40.3177.2-74.5174.6-156.700111.5R601 R602 R608 R609R601-E605 WeakPolarHBondContact O-CG 3.42Å; R601-E605 PolarHBondContact O-N 2.97Å; R602-E605 CarbonylContact O-C 3.57Å; R602-E605 PolarHBondContact O-N 3.44Å; E605-R608 PolarHBondContact O-N 3.48Å; E605-R609 WeakPolarHBondContact O-CG 3.41Å; E605-R609 PolarHBondContact O-N 3.36Å
606E81.9Confident77.2Confident115 Ų115114.4 Ų114.454%0.53752%0.521SS..Hα-helixtrans-64-49.2173.5-74.1172.3-174.100111.5R602 R608 R609 V610R602-E606 WeakPolarHBondContact O-CB 3.45Å; R602-E606 WeakPolarHBondContact O-CG 3.32Å; R602-E606 PolarHBondContact O-N 3.39Å; E606-R608 PolarHBondContact O-N 2.86Å; E606-R609 WeakPolarHBondContact O-CB 3.49Å; E606-R609 PolarHBondContact O-N 3.26Å; E606-V610 WeakPolarHBondContact O-CG2 3.47Å; E606-V610 PolarHBondContact O-N 3.23Å
607S75.6Confident76.6Confident59 Ų59114.6 Ų114.641%0.41353%0.529SS..Hα-helixtrans-61.6-31.2173.654.10000112.6E603 R604 L611E603-S607 WeakPolarHBondContact O-CB 3.33Å; E603-S607 PolarHBondContact O-N 2.8Å; E603-S607 PolarHBondContact O-OG 2.77Å; R604-S607 WeakPolarHBondContact CA-OG 3.13Å; R604-S607 PolarHBondContact O-OG 3.3Å; S607-L611 VanDerWaalsContact O-CB 3.27Å; S607-L611 WeakPolarHBondContact O-CB 3.43Å; S607-L611 VanDerWaalsContact O-CG 3.22Å; S607-L611 WeakPolarHBondContact O-CG 3.35Å; S607-L611 PolarHBondContact O-N 2.57Å
608R83.7Confident75.6Confident196 Ų196116.2 Ų116.274%0.7454%0.544SS*.Hα-helixtrans-71.7-35172.2-143.5178.479.2170.15113R604 E605 E606 S612R604-R608 VanDerWaalsContact O-CB 3.32Å; R604-R608 WeakPolarHBondContact O-CB 3.33Å; R604-R608 PolarHBondContact O-N 3.34Å; E605-R608 PolarHBondContact O-N 3.48Å; E606-R608 PolarHBondContact O-N 2.86Å; R608-S612 WeakPolarHBondContact O-CB 3.31Å; R608-S612 PolarHBondContact O-N 2.88Å; R608-S612 PolarHBondContact O-OG 3.3Å
609R85.8Confident74.2Confident155 Ų155113.5 Ų113.559%0.58554%0.543SS*.Hα-helixtrans-65.3-52.8172.3-72.4175.1-166.2-1706110.6E605 E606 L611 S612 E613E605-R609 WeakPolarHBondContact O-CG 3.41Å; E605-R609 PolarHBondContact O-N 3.36Å; E606-R609 WeakPolarHBondContact O-CB 3.49Å; E606-R609 PolarHBondContact O-N 3.26Å; R609-L611 VanDerWaalsContact C-N 3.29Å; R609-L611 PolarHBondContact O-N 2.91Å; R609-S612 WeakPolarHBondContact CA-OG 3.41Å; R609-S612 CarbonylContact O-C 3.6Å; R609-S612 WeakPolarHBondContact O-CA 3.43Å; R609-S612 PolarHBondContact O-N 3.36Å; R609-S612 PolarHBondContact O-OG 2.69Å; R609-E613 PolarHBondContact O-N 3.04Å
610V83.8Confident72.6Confident76 Ų76114.7 Ų114.746%0.46155%0.554SS.*Hα-helixtrans-57.1-40.7175.8173.20000111.5E606 E613 L614E606-V610 WeakPolarHBondContact O-CG2 3.47Å; E606-V610 PolarHBondContact O-N 3.23Å; V610-E613 PolarHBondContact O-N 2.9Å; V610-L614 HydrophobicContact CG1-CD1 3.92Å; V610-L614 HydrophobicContact CG1-CG 4.45Å; V610-L614 VanDerWaalsContact O-CB 3.27Å; V610-L614 WeakPolarHBondContact O-CB 3.28Å; V610-L614 VanDerWaalsContact O-CG 3.31Å; V610-L614 WeakPolarHBondContact O-CG 3.48Å; V610-L614 PolarHBondContact O-N 3.38Å
611L71.8Confident71.6Confident114 Ų114121.8 Ų121.860%0.59758%0.577SS**Hα-helixtrans-68.1-31.5173.2-77.4170.3000113.4S607 R609 K615S607-L611 VanDerWaalsContact O-CB 3.27Å; S607-L611 WeakPolarHBondContact O-CB 3.43Å; S607-L611 VanDerWaalsContact O-CG 3.22Å; S607-L611 WeakPolarHBondContact O-CG 3.35Å; S607-L611 PolarHBondContact O-N 2.57Å; R609-L611 VanDerWaalsContact C-N 3.29Å; R609-L611 PolarHBondContact O-N 2.91Å; L611-K615 WeakPolarHBondContact O-CB 3.34Å; L611-K615 PolarHBondContact O-N 3.36Å
612S71.7Confident70.2Confident70 Ų70115.9 Ų115.949%0.4956%0.564SS.*Hα-helixtrans-74.5-35.1174.367.40000112.8R608 R609 K615 A616R608-S612 WeakPolarHBondContact O-CB 3.31Å; R608-S612 PolarHBondContact O-N 2.88Å; R608-S612 PolarHBondContact O-OG 3.3Å; R609-S612 WeakPolarHBondContact CA-OG 3.41Å; R609-S612 CarbonylContact O-C 3.6Å; R609-S612 WeakPolarHBondContact O-CA 3.43Å; R609-S612 PolarHBondContact O-N 3.36Å; R609-S612 PolarHBondContact O-OG 2.69Å; S612-K615 CarbonylContact O-C 3.33Å; S612-K615 PolarHBondContact O-N 3.49Å; S612-A616 PolarHBondContact O-N 3.5Å
613E81.7Confident69.2Low117 Ų117112.2 Ų112.255%0.54756%0.56SS.*Hα-helixtrans-69.2-47.8172.7-72164.8-160.900110.8R609 V610 K615 A616 V617R609-E613 PolarHBondContact O-N 3.04Å; V610-E613 PolarHBondContact O-N 2.9Å; E613-K615 PolarHBondContact O-N 2.96Å; E613-A616 CarbonylContact O-C 3.57Å; E613-A616 WeakPolarHBondContact O-CA 3.48Å; E613-A616 WeakPolarHBondContact O-CB 3.39Å; E613-A616 PolarHBondContact O-N 3Å; E613-V617 WeakPolarHBondContact O-CG2 3.49Å; E613-V617 PolarHBondContact O-N 3.43Å
614L68.3Low67.9Low85 Ų85116 Ų11645%0.44558%0.579SS.*Hα-helixtrans-58.1-35.7170.5-77.6168.1000111.8V610 A616 L618V610-L614 HydrophobicContact CG1-CD1 3.92Å; V610-L614 HydrophobicContact CG1-CG 4.45Å; V610-L614 VanDerWaalsContact O-CB 3.27Å; V610-L614 WeakPolarHBondContact O-CB 3.28Å; V610-L614 VanDerWaalsContact O-CG 3.31Å; V610-L614 WeakPolarHBondContact O-CG 3.48Å; V610-L614 PolarHBondContact O-N 3.38Å; L614-A616 VanDerWaalsContact C-N 3.34Å; L614-L618 WeakPolarHBondContact O-CB 3.47Å; L614-L618 WeakPolarHBondContact O-CG 3.31Å; L614-L618 PolarHBondContact O-N 3.37Å
615K68.9Low67.4Low168 Ų168111.5 Ų111.573%0.7358%0.577SS**Hα-helixtrans-72.2-23.6173.6-176.4177.3176-173.60113.1L611 S612 E613 G619L611-K615 WeakPolarHBondContact O-CB 3.34Å; L611-K615 PolarHBondContact O-N 3.36Å; S612-K615 CarbonylContact O-C 3.33Å; S612-K615 PolarHBondContact O-N 3.49Å; E613-K615 PolarHBondContact O-N 2.96Å; K615-G619 WeakPolarHBondContact O-CA 3.35Å; K615-G619 PolarHBondContact O-N 3.37Å
616A66.8Low66.5Low61 Ų61111.9 Ų111.950%0.50458%0.579SS.*Hα-helixtrans-78.8-42.2170.600000111.4S612 E613 L614 G619 F620S612-A616 PolarHBondContact O-N 3.5Å; E613-A616 CarbonylContact O-C 3.57Å; E613-A616 WeakPolarHBondContact O-CA 3.48Å; E613-A616 WeakPolarHBondContact O-CB 3.39Å; E613-A616 PolarHBondContact O-N 3Å; L614-A616 VanDerWaalsContact C-N 3.34Å; A616-G619 CarbonylContact O-C 3.59Å; A616-G619 VanDerWaalsContact O-CA 3.25Å; A616-G619 WeakPolarHBondContact O-CA 3.41Å; A616-G619 PolarHBondContact O-N 3.45Å; A616-F620 PolarHBondContact O-N 2.92Å
617V57Low65.9Low108 Ų108115.3 Ų115.366%0.65559%0.587SS**Hα-helixtrans-69.9-48.6178.9175.20000111.6E613 G619E613-V617 WeakPolarHBondContact O-CG2 3.49Å; E613-V617 PolarHBondContact O-N 3.43Å; V617-G619 PolarHBondContact O-N 2.95Å
618L50.8Low65.2Low139 Ų139118.5 Ų118.573%0.72860%0.596SS**THydrogen-bonded Turntrans-72.9-7.7166.9-62165.7000112.2L614 F620L614-L618 WeakPolarHBondContact O-CB 3.47Å; L614-L618 WeakPolarHBondContact O-CG 3.31Å; L614-L618 PolarHBondContact O-N 3.37Å; L618-F620 VanDerWaalsContact C-N 3.29Å
619G44.8Very low64.6Low43 Ų43116 Ų11644%0.44359%0.591SS.*THydrogen-bonded Turntrans-74.7-15.2176.800000113.8K615 A616 V617 R621K615-G619 WeakPolarHBondContact O-CA 3.35Å; K615-G619 PolarHBondContact O-N 3.37Å; A616-G619 CarbonylContact O-C 3.59Å; A616-G619 VanDerWaalsContact O-CA 3.25Å; A616-G619 WeakPolarHBondContact O-CA 3.41Å; A616-G619 PolarHBondContact O-N 3.45Å; V617-G619 PolarHBondContact O-N 2.95Å; G619-R621 PolarHBondContact O-N 2.87Å
620F46Very low63.5Low192 Ų192114.9 Ų114.984%0.84259%0.587SS**  trans-70.752.6161.8-84.9-88.1000111.9A616 L618 A622A616-F620 PolarHBondContact O-N 2.92Å; L618-F620 VanDerWaalsContact C-N 3.29Å; F620-A622 PolarHBondContact O-N 2.97Å; F620-A622 VanDerWaalsContact O-N 3.15Å
621R52.9Low62.8Low226 Ų226117.5 Ų117.585%0.85359%0.592SS**  trans-55116.2141.5-85.4-173166-166.9-2.5106G619 S623G619-R621 PolarHBondContact O-N 2.87Å; R621-S623 PolarHBondContact O-N 2.83Å
622A49.6Very low62.6Low44 Ų44118.7 Ų118.736%0.36460%0.595SS.*  trans-40.3127.3173.700000109.8F620 E626F620-A622 PolarHBondContact O-N 2.97Å; F620-A622 VanDerWaalsContact O-N 3.15Å; A622-E626 HydrophobicContact CB-CB 4.32Å
623S62.7Low62.3Low67 Ų67121.9 Ų121.947%0.46960%0.603SS.*  trans-51.7149-172.669.20000110.5R621 G625 E626 R627R621-S623 PolarHBondContact O-N 2.83Å; S623-G625 PolarHBondContact O-N 3.21Å; S623-G625 VanDerWaalsContact O-N 3.08Å; S623-E626 WeakPolarHBondContact O-CA 3.35Å; S623-E626 WeakPolarHBondContact O-CB 3.37Å; S623-E626 PolarHBondContact O-N 3.49Å; S623-E626 PolarHBondContact OG-N 3.08Å; S623-E626 VanDerWaalsContact OG-N 3.09Å; S623-R627 PolarHBondContact O-N 3.48Å
624E57.4Low61.5Low171 Ų171122.8 Ų122.880%0.79961%0.611SS**Hα-helixtrans-58.1-30.3-178.2-165.3157.2-140.600111.4R627 M628E624-R627 PolarHBondContact O-N 3.32Å; E624-M628 WeakPolarHBondContact O-CB 3.46Å; E624-M628 PolarHBondContact O-N 3.07Å
625G68.7Low60.9Low50 Ų50125.9 Ų125.952%0.51562%0.621SS.*Hα-helixtrans-63.3-46.3167.500000114.7S623 R627 M628 K629S623-G625 PolarHBondContact O-N 3.21Å; S623-G625 VanDerWaalsContact O-N 3.08Å; G625-R627 VanDerWaalsContact C-N 3.32Å; G625-R627 PolarHBondContact O-N 3.15Å; G625-M628 PolarHBondContact O-N 3.1Å; G625-K629 WeakPolarHBondContact O-CB 3.42Å; G625-K629 PolarHBondContact O-N 3.24Å
626E67.5Low60.2Low93 Ų93120.8 Ų120.844%0.43561%0.607SS.*Hα-helixtrans-62.8-38.5172.4-83.8-170.6-163.700112.6A622 S623 M628 K629 R630A622-E626 HydrophobicContact CB-CB 4.32Å; S623-E626 WeakPolarHBondContact O-CA 3.35Å; S623-E626 WeakPolarHBondContact O-CB 3.37Å; S623-E626 PolarHBondContact O-N 3.49Å; S623-E626 PolarHBondContact OG-N 3.08Å; S623-E626 VanDerWaalsContact OG-N 3.09Å; E626-M628 VanDerWaalsContact C-N 3.35Å; E626-K629 PolarHBondContact O-N 2.84Å; E626-R630 WeakPolarHBondContact O-CB 3.49Å; E626-R630 WeakPolarHBondContact O-CG 3.39Å; E626-R630 PolarHBondContact O-N 3.41Å; E626-R630 IonicContact OE2-CZ 3.25Å; E626-R630 IonicContact OE2-NH1 2.67Å; E626-R630 PolarHBondContact OE2-NH1 3.5Å; E626-R630 IonicContact OE2-NH2 2.76Å
627R68.1Low59.4Low188 Ų188125 Ų12571%0.70962%0.621SS**Hα-helixtrans-67-39.6177.5-163.6178.7-174.4-158.11.3110.6S623 E624 G625 K631S623-R627 PolarHBondContact O-N 3.48Å; E624-R627 PolarHBondContact O-N 3.32Å; G625-R627 VanDerWaalsContact C-N 3.32Å; G625-R627 PolarHBondContact O-N 3.15Å; R627-K631 VanDerWaalsContact O-CB 3.29Å; R627-K631 WeakPolarHBondContact O-CB 3.48Å; R627-K631 PolarHBondContact O-N 2.91Å
628M61.2Low59Low125 Ų125129.2 Ų129.262%0.61663%0.633SS**Hα-helixtrans-63-43.8171.5-163.668.6175.500111.1E624 G625 E626 K631 Q632E624-M628 WeakPolarHBondContact O-CB 3.46Å; E624-M628 PolarHBondContact O-N 3.07Å; G625-M628 PolarHBondContact O-N 3.1Å; E626-M628 VanDerWaalsContact C-N 3.35Å; M628-K631 CarbonylContact O-C 3.56Å; M628-K631 WeakPolarHBondContact O-CB 3.44Å; M628-K631 PolarHBondContact O-N 3.22Å; M628-Q632 WeakPolarHBondContact O-CB 3.47Å; M628-Q632 PolarHBondContact O-N 3.49Å
629K71.4Confident58.7Low143 Ų143126.9 Ų126.962%0.62264%0.635SS**Hα-helixtrans-63.9-43178.1-151174.1-169.8179.70112.3G625 E626 Q632 M633G625-K629 WeakPolarHBondContact O-CB 3.42Å; G625-K629 PolarHBondContact O-N 3.24Å; E626-K629 PolarHBondContact O-N 2.84Å; K629-Q632 PolarHBondContact O-N 2.92Å; K629-M633 WeakPolarHBondContact O-CG 3.38Å; K629-M633 PolarHBondContact O-N 3.34Å
630R62.1Low58.4Low132 Ų132129 Ų12950%0.49865%0.647SS.*Hα-helixtrans-64.7-39.3171.5-74.2-178.3176.6107.9-2.1111.8E626 Q632 M633 L634E626-R630 WeakPolarHBondContact O-CB 3.49Å; E626-R630 WeakPolarHBondContact O-CG 3.39Å; E626-R630 PolarHBondContact O-N 3.41Å; E626-R630 IonicContact OE2-CZ 3.25Å; E626-R630 IonicContact OE2-NH1 2.67Å; E626-R630 PolarHBondContact OE2-NH1 3.5Å; E626-R630 IonicContact OE2-NH2 2.76Å; R630-Q632 VanDerWaalsContact C-N 3.34Å; R630-M633 HydrophobicContact CG-CE 4.16Å; R630-M633 PolarHBondContact O-N 3.31Å; R630-L634 WeakPolarHBondContact O-CB 3.17Å; R630-L634 VanDerWaalsContact O-CG 3.29Å; R630-L634 WeakPolarHBondContact O-CG 3.46Å; R630-L634 PolarHBondContact O-N 2.97Å
631K69.5Low57.6Low132 Ų132124.4 Ų124.457%0.57465%0.645SS**Hα-helixtrans-63.9-39174.7-161.9179.8-175.4-169.50111.5R627 M628 L634 F635R627-K631 VanDerWaalsContact O-CB 3.29Å; R627-K631 WeakPolarHBondContact O-CB 3.48Å; R627-K631 PolarHBondContact O-N 2.91Å; M628-K631 CarbonylContact O-C 3.56Å; M628-K631 WeakPolarHBondContact O-CB 3.44Å; M628-K631 PolarHBondContact O-N 3.22Å; K631-L634 PolarHBondContact O-N 3.01Å; K631-F635 HydrophobicContact CG-CD2 3.87Å; K631-F635 HydrophobicContact CG-CE2 4.25Å; K631-F635 WeakPolarHBondContact O-CD2 3.32Å; K631-F635 PolarHBondContact O-N 2.81Å
632Q68.1Low57Low139 Ų139120.7 Ų120.765%0.6564%0.641SS**Hα-helixtrans-70.5-30.6177.2-157.8170.532.400112.8M628 K629 R630M628-Q632 WeakPolarHBondContact O-CB 3.47Å; M628-Q632 PolarHBondContact O-N 3.49Å; K629-Q632 PolarHBondContact O-N 2.92Å; R630-Q632 VanDerWaalsContact C-N 3.34Å
633M65Low56.5Low137 Ų137124.4 Ų124.468%0.67566%0.662SS**Hα-helixtrans-75.4-30170.9-72.2-175-70.400113.5K629 R630K629-M633 WeakPolarHBondContact O-CG 3.38Å; K629-M633 PolarHBondContact O-N 3.34Å; R630-M633 HydrophobicContact CG-CE 4.16Å; R630-M633 PolarHBondContact O-N 3.31Å
634L64.1Low55.5Low136 Ų136128.3 Ų128.371%0.71268%0.677SS**Hα-helixtrans-85-20.6178.8-71.3168.8000113.7R630 K631R630-L634 WeakPolarHBondContact O-CB 3.17Å; R630-L634 VanDerWaalsContact O-CG 3.29Å; R630-L634 WeakPolarHBondContact O-CG 3.46Å; R630-L634 PolarHBondContact O-N 2.97Å; K631-L634 PolarHBondContact O-N 3.01Å
635F56.7Low54.1Low150 Ų150126.8 Ų126.866%0.65868%0.679SS**  trans-131.561.2-178.5-60.3-76.3000110.6K631K631-F635 HydrophobicContact CG-CD2 3.87Å; K631-F635 HydrophobicContact CG-CE2 4.25Å; K631-F635 WeakPolarHBondContact O-CD2 3.32Å; K631-F635 PolarHBondContact O-N 2.81Å
636S52.7Low52.3Low61 Ų61131.6 Ų131.643%0.42769%0.692SS.*  trans-88.9123167.459.90000110Q638 A639S636-Q638 PolarHBondContact O-N 3.45Å; S636-A639 PolarHBondContact O-N 2.89Å; S636-A639 VanDerWaalsContact O-N 3.1Å
637D51.6Low50.4Low150 Ų150134.2 Ų134.280%0.80271%0.714SS**G310 helixtrans-63.3-10-177.3-64.3-42.1000113.9A639 A640D637-A639 PolarHBondContact O-N 3.45Å; D637-A640 PolarHBondContact O-N 2.84Å
638Q48.6Very low48.5Very low195 Ų195134 Ų13491%0.91172%0.721SS**G310 helixtrans-73.1-9.8174-69.6-178.4-3.600114.1S636S636-Q638 PolarHBondContact O-N 3.45Å
639A43.3Very low46.8Very low91 Ų91133.7 Ų133.775%0.75273%0.731SS**G310 helixtrans-89.6-4172.700000113.9S636 D637S636-A639 PolarHBondContact O-N 2.89Å; S636-A639 VanDerWaalsContact O-N 3.1Å; D637-A639 PolarHBondContact O-N 3.45Å
640A38.2Very low45.5Very low86 Ų86131.9 Ų131.971%0.71173%0.734SS**  trans-11130-167.500000114.7D637D637-A640 PolarHBondContact O-N 2.84Å
641A30.6Very low43.8Very low96 Ų96133.3 Ų133.379%0.79375%0.752SS**  trans-11983.3175.500000111.9
642L40.2Very low42Very low148 Ų148131.8 Ų131.878%0.77576%0.764SS**  trans-87.6153.3164.6-95.8167000109.2L644L642-L644 HydrophobicContact CD2-CD1 4.18Å
643P39.3Very low40.7Very low122 Ų122131.3 Ų131.379%0.79277%0.773SS**  -149.316475.437.3-17.3000117.8
644L40.9Very low38.9Very low150 Ų150128.2 Ų128.279%0.78578%0.776SS**  trans-73.3143.4161.3-72.481.4000111L642L642-L644 HydrophobicContact CD2-CD1 4.18Å
645V27.5Very low38Very low139 Ų139127.4 Ų127.484%0.84278%0.779SS**  trans-151145.6135.5-178.40000109.1
646L32.3Very low36.7Very low151 Ų151127.6 Ų127.679%0.79179%0.792SS**  trans-65.8149.4173.6-61.391.5000113.2
647T26.6Very low35.5Very low147 Ų147128.2 Ų128.290%0.90281%0.808SS**  -177.5172.5118.620.60000113.4
648Q27.8Very low34.4Very low184 Ų184126 Ų12686%0.8681%0.81SS**  trans-84.6172.9-170-60.8165.8-20.900114.6
649S27Very low33.4Very low118 Ų118121.9 Ų121.983%0.82581%0.81SS**  trans102.8160.7151.790.70000118
650P43.7Very low32.7Very low106 Ų106120.5 Ų120.569%0.68880%0.804SS**  trans-111.1-178.5-141.343.8-41.1000117.5
651D27.1Very low32.3Very low161 Ų161125.2 Ų125.286%0.86182%0.816SS**  trans45.9115.6151.7-68.3-21.1000121.3
652A30.1Very low32.1Very low100 Ų100123.8 Ų123.883%0.82681%0.81SS**  trans-157.7152.6149.100000112.4
653P40.7Very low31.6Very low130 Ų130121.6 Ų121.684%0.84481%0.807SS**  trans-99.7169.2-167.339.2-36.1000114.9
654G27.8Very low31.4Very low71 Ų71123.9 Ų123.973%0.73281%0.807SS**  trans-101.1174.2175.100000115.4
655P45.7Very low30.9Very low120 Ų120126.3 Ų126.378%0.77982%0.815SS**  trans-124.7136.4152.933.3-19.4000111.2
656V30.1Very low30.9Very low153 Ų153122.8 Ų122.893%0.92781%0.806SS**  67106.969.4-177.90000113.7
657G26.7Very low30.7Very low75 Ų75121.6 Ų121.677%0.77380%0.801SS**  trans-158.5158.2173.400000108.7
658A28.7Very low30.8Very low102 Ų102123.7 Ų123.784%0.84379%0.794SS**  trans-155.1167.6-166.100000116.4
659A28Very low30.8Very low109 Ų109122.6 Ų122.690%0.90179%0.793SS**  trans71.9146.2172.600000117
660G26.7Very low30.8Very low62 Ų62122.6 Ų122.664%0.63979%0.793SS**  cis160.5167.1-4.300000112.1
661I30.1Very low29.9Very low186 Ų186125.9 Ų125.995%0.95480%0.799SS**  trans80.3128.7-178.8-47.2159.5000114.4
662G27.2Very low30.2Very low65 Ų65129.2 Ų129.267%0.6780%0.8SS**  cis153129.2-1400000115.2
663S30.1Very low31.4Very low102 Ų102129.8 Ų129.871%0.71380%0.795SS**  trans63.2146.9158.9153.50000119.1
664E34.1Very low30.8Very low171 Ų171128.5 Ų128.580%0.79980%0.795SS**  cis-162.2146.5-13.7-104159.7136.900106.1
665E30.8Very low30.7Very low200 Ų200128.7 Ų128.794%0.93580%0.797SS**  167.3146.684.7-114.4172.3174.100104.9
666G27.7Very low29.8Very low65 Ų65129.9 Ų129.967%0.6780%0.797SS**  cis178.7161-9.700000110.7
667N27.3Very low29.7Very low126 Ų126129.6 Ų129.667%0.67479%0.79SS**  trans70.5135.7165.2-64.7-17.1000119.8
668Y28.4Very low29.8Very low192 Ų192130 Ų13075%0.75379%0.794SS**  cis-156.1151.9-0.3-98.3-49.9000112.4
669L27.9Very low29.9Very low160 Ų160134 Ų13484%0.83880%0.795SS**  trans59.1110.4155.6-60.7165.5000118.5
670S27.5Very low30.9Very low119 Ų119134.7 Ų134.783%0.83279%0.79SS**  cis101.2117.422.8-166.20000115.3
671E25.7Very low31Very low175 Ų175135.5 Ų135.582%0.81880%0.799SS**  trans-128.4162.4171.7-94.1-157.7142.300111.4
672R32.4Very low30.9Very low231 Ų231136.4 Ų136.487%0.87280%0.799SS**  trans72168.5159.2-89-171.4159.6-179.1-3.5118.7
673P56.8Low30.9Very low111 Ų111136.7 Ų136.772%0.72180%0.802SS**  cis-138.7-177.1-33.837.5-20.8000113.6
674A26.7Very low30.9Very low104 Ų104141.4 Ų141.486%0.8681%0.81SS**  157.4136.1126.600000116.5
675G25.7Very low30.7Very low75 Ų75139.6 Ų139.677%0.77381%0.806SS**  103.1100.6120.800000123.6
676N26.9Very low30.5Very low144 Ų144137.6 Ų137.677%0.7780%0.802SS**  98.1120.4121.1-13029.1000124
677N29.2Very low30.6Very low148 Ų148145.8 Ų145.879%0.79181%0.812SS**  trans57.8127.5144.6-67.3-9.7000125.2
678G27.3Very low30.7Very low82 Ų82145.7 Ų145.785%0.84582%0.816SS**  trans162.2110.9154.900000115.8
679E31.3Very low30.6Very low187 Ų187147 Ų14787%0.87482%0.82SS**  trans-88.2177.8163.8-74-16811800111.3
680P49.1Very low30.6Very low123 Ų123144.7 Ų144.780%0.79981%0.814SS**  cis-125.9-179.7-44.834.6-18.8000111.5
681G28.3Very low30.5Very low79 Ų79145.3 Ų145.381%0.81481%0.808SS**  trans-162.8128.6173.800000115.1
682E29Very low31Very low205 Ų205142.5 Ų142.596%0.95881%0.805SS**  trans-71.3158-176.5-61.5162.690.100114.5
683G26.6Very low30.9Very low72 Ų72137.5 Ų137.574%0.74280%0.8SS**  trans166.274.8157.200000119.7
684K30.8Very low29.7Very low200 Ų200136.9 Ų136.987%0.8779%0.794SS**  trans59.2116.5151.7-72.9176.7176178.70118.9
685D29.8Very low30Very low134 Ų134139.9 Ų139.972%0.71779%0.79SS**  86.894.269.4-168.728000111.7
686D26.7Very low30.5Very low158 Ų158137.2 Ų137.285%0.84576%0.758SS**  trans-145.5104.8161.7-120.8-25.6000109.5V688D686-V688 PolarHBondContact O-N 3.47Å
687R30.2Very low30.8Very low236 Ų236135.2 Ų135.289%0.89176%0.755SS**  trans-87.2100.3173.4-80.4-177.8167.5-165.2-2.5109.7
688V28.9Very low30.9Very low125 Ų125130.7 Ų130.776%0.75873%0.734SS**  trans-109.2109.7162.1-1770000109.4D686D686-V688 PolarHBondContact O-N 3.47Å
689R25.3Very low31.3Very low220 Ų220130.9 Ų130.983%0.8374%0.736SS**PPolyproline II helixtrans-82.2124.6169.3179.6-173.8-171.31722.6107.7
690P29.4Very low31.2Very low111 Ų111127.6 Ų127.672%0.72173%0.734SS**PPolyproline II helixtrans-78.3125.7172.830.4-31.5000110.2
691D25.7Very low30.2Very low132 Ų132130.2 Ų130.271%0.70674%0.735SS**PPolyproline II helixtrans-78.2136161.3-76.6-32.9000109V693D691-V693 PolarHBondContact O-N 2.88Å; D691-V693 VanDerWaalsContact O-N 3.16Å
692P35.9Very low30.2Very low116 Ų116135.9 Ų135.975%0.75374%0.741SS**  trans-79.199.2179.330.8-33.1000111.1T694P692-T694 PolarHBondContact O-N 3.41Å
693V29Very low30.2Very low126 Ų126131.5 Ų131.576%0.76473%0.733SS**  trans-75.8109.9169.6-179.50000109.3D691 E695D691-V693 PolarHBondContact O-N 2.88Å; D691-V693 VanDerWaalsContact O-N 3.16Å; V693-E695 HydrophobicContact CG1-CG 4.25Å; V693-E695 PolarHBondContact O-N 3.01Å
694T33.2Very low30.3Very low97 Ų97137.2 Ų137.260%0.59574%0.74SS**  trans-91.191.2178.445.60000111.9P692 F696P692-T694 PolarHBondContact O-N 3.41Å; T694-F696 VanDerWaalsContact C-N 3.31Å; T694-F696 PolarHBondContact O-N 3.07Å
695E32.4Very low30.4Very low168 Ų168133.8 Ų133.879%0.78574%0.738SS**  trans-73.675175.6-68.9-166.7152.200113.2V693 S697V693-E695 HydrophobicContact CG1-CG 4.25Å; V693-E695 PolarHBondContact O-N 3.01Å; E695-S697 PolarHBondContact O-N 3.32Å; E695-S697 VanDerWaalsContact O-N 3.16Å
696F36.4Very low30.3Very low19 Ų19131.4 Ų131.48%0.08375%0.745CS.*  trans-83.482.6164.1-75.5-75000110.3L293 K294 V305 A311 T694 C698L293-F696 HydrophobicContact CD1-CD1 4.01Å; L293-F696 HydrophobicContact CD1-CE1 3.66Å; L293-F696 HydrophobicContact CD1-CZ 3.96Å; L293-F696 HydrophobicContact CD2-CZ 4.25Å; K294-F696 WeakPolarHBondContact CE-O 3.48Å; K294-F696 PolarHBondContact NZ-O 2.92Å; V305-F696 HydrophobicContact CG2-CZ 4.29Å; A311-F696 HydrophobicContact CB-CD1 4.4Å; A311-F696 HydrophobicContact CB-CE1 4.04Å; T694-F696 VanDerWaalsContact C-N 3.31Å; T694-F696 PolarHBondContact O-N 3.07Å; F696-C698 PolarHBondContact O-N 2.88Å; F696-C698 VanDerWaalsContact O-N 3.16Å
697S32.2Very low30.3Very low102 Ų102127.5 Ų127.571%0.71374%0.743SS**  trans-70.5110.5-178.8-162.70000111.7E695E695-S697 PolarHBondContact O-N 3.32Å; E695-S697 VanDerWaalsContact O-N 3.16Å
698C32Very low30.5Very low53 Ų53122.7 Ų122.736%0.35874%0.742SS.*  trans-115.2125.4164.1-52.80000105.8C290 F696 S700C290-C698 WeakPolarHBondContact CB-SG 3.46Å; C290-C698 VanDerWaalsContact SG-SG 3.66Å; F696-C698 PolarHBondContact O-N 2.88Å; F696-C698 VanDerWaalsContact O-N 3.16Å; C698-S700 PolarHBondContact O-N 3.38Å; C698-S700 VanDerWaalsContact O-N 3.07Å
699G35.9Very low30.5Very low86 Ų86122.2 Ų122.289%0.88774%0.744SS**  trans-52.6117.3-177.800000111.6
700S28Very low30.6Very low117 Ų117118.7 Ų118.782%0.81875%0.746SS**  trans-153158.6164.1-161.50000107C698C698-S700 PolarHBondContact O-N 3.38Å; C698-S700 VanDerWaalsContact O-N 3.07Å
701E29.3Very low30.5Very low178 Ų178116.8 Ų116.883%0.83275%0.747SS**  trans-76.9139.6-152.6-58.7174.3158.300113.6S703E701-S703 PolarHBondContact O-N 2.94Å
702E27.3Very low30.4Very low199 Ų199114.5 Ų114.593%0.9376%0.755SS**  trans-71120.7169.7-71176.4148.300109.5
703S29.8Very low29.9Very low113 Ų113113.1 Ų113.179%0.7976%0.761SS**  trans-123.9115.9163.7-74.50000108.2E701E701-S703 PolarHBondContact O-N 2.94Å
704E27.8Very low29.8Very low191 Ų191112.1 Ų112.189%0.89377%0.767SS**  trans-67.6150.1-178.8-75.1-144.6125.400113
705P33.6Very low29.6Very low129 Ų129112.6 Ų112.684%0.83877%0.774SS**  trans-92.1135.8-178.435.1-33.1000113.3
706G26.7Very low29.4Very low84 Ų84113.1 Ų113.187%0.86678%0.776SS**  trans176.2109.7165.400000116.5
707G27.2Very low28.8Very low76 Ų76119.1 Ų119.178%0.78481%0.809SS**  trans149.1136167.400000114.2
708P34.2Very low28.5Very low135 Ų135123.5 Ų123.588%0.87782%0.817SS**  trans-92.6157.5-159.535.5-37.2000117.1
709S29.4Very low28.2Very low114 Ų114129.7 Ų129.780%0.79784%0.841SS**  trans-40.9132.8175.7-178.80000117.9
710V27.4Very low27.6Very low146 Ų146136.6 Ų136.689%0.88584%0.842SS**  trans-137.9133139.1-179.10000107.7
711G26.3Very low27.4Very low72 Ų72138 Ų13874%0.74284%0.84SS**  trans-94.7171-173.800000115.3
712G24.6Very low27.1Very low83 Ų83132.5 Ų132.586%0.85683%0.832SS**  trans150.3110.4172.300000111.5
713G25.7Very low27Very low87 Ų87130.4 Ų130.490%0.89783%0.825SS**  trans-89132.6178.500000112.7
714A26Very low26.8Very low106 Ų106131.3 Ų131.388%0.87683%0.826SS**  trans-153.1153.2157.500000109.9
715S29.6Very low27.1Very low106 Ų106130.9 Ų130.974%0.74182%0.824SS**  trans-91.9140.1-176.5158.90000111.6
716E27.2Very low26.8Very low180 Ų180134.3 Ų134.384%0.84183%0.829SS**  trans-167.4109.9142-105.3152.2-153.500109.2
717L25.3Very low26.8Very low145 Ų145138.9 Ų138.976%0.75983%0.828SS**  73.69697.3-150.891.5000113.8
718H25.8Very low27Very low194 Ų194143.5 Ų143.590%0.89883%0.829SS**  trans-75.3129.4165.8-76.838.2000109.8
719Q24.9Very low26.8Very low183 Ų183143 Ų14386%0.85582%0.815SS**  trans-110.7122.5170.6-149.2166.86.600108.8
720Y22.6Very low26.6Very low231 Ų231146.5 Ų146.591%0.90681%0.811SS**  trans-82.3140.9175.7-135.5-96.4000108
721D24.2Very low26.6Very low145 Ų145146.7 Ų146.778%0.77580%0.802SS**  trans-141.4141.1159.3-149.9-2.2000110.2
722G24.1Very low26.6Very low64 Ų64150.7 Ų150.766%0.6681%0.806SS**  trans-157.3133-177.500000108.2
723I25.6Very low26.6Very low154 Ų154150.6 Ų150.679%0.7981%0.805SS**  trans-127.8137.1-170-64-177.8000110.5
724T24.8Very low26.6Very low132 Ų132154 Ų15481%0.8180%0.802SS**  trans-83.8171.1-178.533.20000114
725E33.4Very low26.6Very low182 Ų182155.3 Ų155.385%0.8579%0.794SS**  trans-48.5146.3172.7-55.7159.4167.500114.9
726E27.9Very low26.4Very low202 Ų202154.4 Ų154.494%0.94479%0.787SS**  trans-146.1151.9145.2-74.3-160.3157.300110
727E27.5Very low26.4Very low180 Ų180154.9 Ų154.984%0.84179%0.787SS**  trans-104.9151.7-172-70.7179.2134.300114.5
728E29.9Very low26.7Very low173 Ų173156 Ų15681%0.80879%0.793SS**  trans78.5137.9140.1-86.8-165.1171.500126.8
729E30.4Very low26.9Very low125 Ų125156.4 Ų156.458%0.58479%0.792SS**  trans78.9105.6147.2-67.3-135.2132.200124.4
730R26.4Very low27.1Very low186 Ų186153.6 Ų153.670%0.70279%0.789SS**  100.2117120.4-79.7-174.5-166.4-157.111.4123
731Q27.4Very low27.4Very low151 Ų151152.5 Ų152.571%0.70679%0.789SS**  114.6117.1126.5-84.2178.31200120.8
732N24.9Very low27.7Very low155 Ų155153.1 Ų153.183%0.82979%0.791SS**  trans68.4134.5142.3-62-16.2000121.4
733G24.7Very low28.2Very low81 Ų81155.5 Ų155.584%0.83580%0.795SS**  trans148.3102.8148.400000115.4
734L27Very low28.7Very low160 Ų160153.1 Ų153.184%0.83880%0.798SS**  trans-71.7152.4173.4-89.5142.3000113.5
735D25.2Very low29.3Very low132 Ų132152.3 Ų152.371%0.70679%0.793SS**  trans89.2130.1138.2-91-43.4000124.6
736C25.1Very low29.8Very low88 Ų88146.2 Ų146.260%0.59577%0.77SS**  trans86.4106.5133.5-78.40000123
737F27.3Very low30.8Very low189 Ų189142.1 Ų142.183%0.82976%0.759SS**  trans55.4121.8141.2-60.6-77.7000121.3
738L31.2Very low31.5Very low170 Ų170139.5 Ų139.589%0.8975%0.75SS**  -174.8131.798.2-93.2169.9000112.1
739K30.7Very low32.2Very low202 Ų202135.5 Ų135.588%0.87873%0.734SS**  trans-86.7156.3169.3-98.2179.5175173.50111
740P29.3Very low33.1Very low123 Ų123138.4 Ų138.480%0.79974%0.74SS**  trans-112.3154137.219.8-4.3000112.9
741K27.9Very low33.9Very low208 Ų208133.7 Ų133.790%0.90473%0.728SS**PPolyproline II helixtrans-73.4145.9-175-85.3164.9163.7171.60113.6
742I31.8Very low34.8Very low159 Ų159131.2 Ų131.282%0.81572%0.723SS**PPolyproline II helixtrans-101.7140.1153.6-63.3171.6000106.7
743P34.1Very low35.8Very low113 Ų113131.7 Ų131.773%0.73472%0.721SS**PPolyproline II helixtrans-71.5150.2-177.329.3-35.4000112.6
744A36.6Very low36.9Very low105 Ų105133.9 Ų133.987%0.86871%0.712SS**PPolyproline II helixtrans-80.2123.1179.100000111.3
745V36.3Very low37.8Very low114 Ų114133.2 Ų133.269%0.69170%0.704SS**PPolyproline II helixtrans-101.3144.3164.5-178.70000107.6D749V745-D749 HydrophobicContact CG1-CB 4.25Å
746S45.1Very low38.2Very low55 Ų55129.7 Ų129.739%0.38570%0.699SS.*PPolyproline II helixtrans-74149.6-171.792.10000111.8L748 D749S746-L748 PolarHBondContact O-N 3.09Å; S746-L748 PolarHBondContact OG-N 2.9Å; S746-D749 WeakPolarHBondContact CB-OD2 3.29Å; S746-D749 PolarHBondContact N-OD2 3.46Å; S746-D749 PolarHBondContact O-N 3.46Å; S746-D749 PolarHBondContact OG-N 2.95Å; S746-D749 PolarHBondContact OG-OD2 3.33Å
747V47.1Very low38.8Very low115 Ų115131.2 Ų131.270%0.69771%0.71SS**Hα-helixtrans-63.6-22.9176.8179.10000111.5L751V747-L751 HydrophobicContact CG1-CD1 4.21Å; V747-L751 PolarHBondContact O-N 3.49Å
748L42.4Very low39.9Very low126 Ų126130.8 Ų130.866%0.6671%0.711SS**Hα-helixtrans-70.2-41.5-179.8-16665.3000111.8S746 R750 L751 T752S746-L748 PolarHBondContact O-N 3.09Å; S746-L748 PolarHBondContact OG-N 2.9Å; L748-R750 VanDerWaalsContact C-N 3.29Å; L748-R750 PolarHBondContact O-N 2.96Å; L748-L751 PolarHBondContact O-N 2.93Å; L748-T752 PolarHBondContact O-N 3.48Å; L748-T752 VanDerWaalsContact O-N 3.16Å; L748-T752 PolarHBondContact O-OG1 3.36Å
749D46.3Very low40.5Very low88 Ų88129.1 Ų129.147%0.47171%0.708SS.*Hα-helixtrans-62.3-38.5179.8-55.8-60.5000111.5V745 S746 L751 T752 E753V745-D749 HydrophobicContact CG1-CB 4.25Å; S746-D749 WeakPolarHBondContact CB-OD2 3.29Å; S746-D749 PolarHBondContact N-OD2 3.46Å; S746-D749 PolarHBondContact O-N 3.46Å; S746-D749 PolarHBondContact OG-N 2.95Å; S746-D749 PolarHBondContact OG-OD2 3.33Å; D749-L751 VanDerWaalsContact C-N 3.34Å; D749-L751 PolarHBondContact O-N 3.31Å; D749-T752 WeakPolarHBondContact CA-OG1 3.29Å; D749-T752 PolarHBondContact O-N 3.28Å; D749-T752 PolarHBondContact O-OG1 3.23Å; D749-E753 PolarHBondContact O-N 2.9Å
750R47.9Very low41.3Very low186 Ų186126.4 Ų126.470%0.70270%0.702SS**Hα-helixtrans-66.9-29.7173.7-93.3-175.1154.5-150.1-8.4113.9L748 I754L748-R750 VanDerWaalsContact C-N 3.29Å; L748-R750 PolarHBondContact O-N 2.96Å; R750-I754 WeakPolarHBondContact O-CD1 3.45Å; R750-I754 WeakPolarHBondContact O-CG1 3.35Å
751L43.3Very low42.4Very low88 Ų88123.4 Ų123.446%0.46169%0.685SS.*Hα-helixtrans-79.2-28.9179.4-79.3164.8000112.4V747 L748 D749 H755V747-L751 HydrophobicContact CG1-CD1 4.21Å; V747-L751 PolarHBondContact O-N 3.49Å; L748-L751 PolarHBondContact O-N 2.93Å; D749-L751 VanDerWaalsContact C-N 3.34Å; D749-L751 PolarHBondContact O-N 3.31Å; L751-H755 PolarHBondContact O-ND1 2.82Å
752T46.7Very low43.7Very low98 Ų98122 Ų12260%0.60168%0.679SS**Hα-helixtrans-74.3-29.1172.2420000113.5L748 D749L748-T752 PolarHBondContact O-N 3.48Å; L748-T752 VanDerWaalsContact O-N 3.16Å; L748-T752 PolarHBondContact O-OG1 3.36Å; D749-T752 WeakPolarHBondContact CA-OG1 3.29Å; D749-T752 PolarHBondContact O-N 3.28Å; D749-T752 PolarHBondContact O-OG1 3.23Å
753E44.8Very low45.2Very low166 Ų166118.3 Ų118.378%0.77667%0.667SS**Hα-helixtrans-72.8-28.1176.8-167.7172.6-159.600112.7D749D749-E753 PolarHBondContact O-N 2.9Å
754I48.7Very low46.7Very low126 Ų126115.3 Ų115.365%0.64665%0.649SS**Hα-helixtrans-79-21.1179.4-64.7165.4000112.5R750R750-I754 WeakPolarHBondContact O-CD1 3.45Å; R750-I754 WeakPolarHBondContact O-CG1 3.35Å
755H45.4Very low47.8Very low146 Ų146112.8 Ų112.868%0.67663%0.628SS**  trans-11165.1-176.7-65.195.4000112.1L751L751-H755 PolarHBondContact O-ND1 2.82Å
756G34.8Very low49.1Very low58 Ų58111.4 Ų111.460%0.59862%0.616SS**  trans-86.3122.4174.200000113.6
757S36.5Very low50.2Low120 Ų120111.6 Ų111.684%0.83962%0.621SS**  trans64119.6169.965.90000118.4
758E51Low51.3Low180 Ų180109.1 Ų109.184%0.84161%0.613SS**  trans-79.1120.4179.1-58.6170.213700111.8
759T43.6Very low52.6Low136 Ų136108.5 Ų108.583%0.83461%0.606SS**  trans-124.596.5150.753.60000108.9S761T759-S761 PolarHBondContact O-N 3.17Å
760L48.3Very low53.8Low144 Ų144108.7 Ų108.775%0.75461%0.611SS**  trans-67.2101.3178.8-69.2171.6000109.9
761S52.3Low54.9Low61 Ų61102 Ų10243%0.42760%0.595SS.*  trans-64144.8170.762.20000110.8T759 S763 S764 A765T759-S761 PolarHBondContact O-N 3.17Å; S761-S763 PolarHBondContact O-N 3.38Å; S761-S763 VanDerWaalsContact O-N 3.08Å; S761-S763 PolarHBondContact OG-OG 3.29Å; S761-S764 PolarHBondContact O-N 3.36Å; S761-S764 PolarHBondContact O-OG 3.02Å; S761-A765 PolarHBondContact O-N 3.45Å
762F55.2Low56Low179 Ų179100.9 Ų100.979%0.78560%0.598SS**Hα-helixtrans-53.9-33.4179.9177.7-100.2000112.9L766F762-L766 WeakPolarHBondContact O-CB 3.46Å; F762-L766 PolarHBondContact O-N 3.26Å
763S62Low56.5Low81 Ų81104.5 Ų104.557%0.56660%0.601SS**Hα-helixtrans-68.7-34.8175.447.80000113.9S761 A767S761-S763 PolarHBondContact O-N 3.38Å; S761-S763 VanDerWaalsContact O-N 3.08Å; S761-S763 PolarHBondContact OG-OG 3.29Å; S763-A767 VanDerWaalsContact O-CB 3.29Å; S763-A767 WeakPolarHBondContact O-CB 3.4Å; S763-A767 PolarHBondContact O-N 3.34Å
764S65.6Low57.4Low49 Ų4999.7 Ų99.734%0.34359%0.586SS.*Hα-helixtrans-72.7-38.9177.172.20000111.7S761 A767 A768S761-S764 PolarHBondContact O-N 3.36Å; S761-S764 PolarHBondContact O-OG 3.02Å; S764-A767 PolarHBondContact O-N 3.5Å; S764-A768 WeakPolarHBondContact O-CB 3.32Å; S764-A768 PolarHBondContact O-N 2.92Å
765A60.8Low57.7Low53 Ų53100.6 Ų100.644%0.43859%0.587SS.*Hα-helixtrans-63.1-42.6172.700000112S761 A768 Q769S761-A765 PolarHBondContact O-N 3.45Å; A765-A768 PolarHBondContact O-N 3.03Å; A765-Q769 WeakPolarHBondContact O-CB 3.29Å; A765-Q769 PolarHBondContact O-N 3.23Å
766L63.2Low58.1Low84 Ų8497.4 Ų97.444%0.4458%0.581SS.*Hα-helixtrans-65.6-42.9175.6-171.467.8000111.8F762 Q769 V770F762-L766 WeakPolarHBondContact O-CB 3.46Å; F762-L766 PolarHBondContact O-N 3.26Å; L766-Q769 PolarHBondContact O-N 2.82Å; L766-V770 WeakPolarHBondContact O-CG2 3.26Å; L766-V770 PolarHBondContact O-N 2.98Å
767A69.3Low59.1Low60 Ų60100.8 Ų100.850%0.49659%0.585SS.*Hα-helixtrans-62.3-42.8176.200000112S763 S764 Q769 V770 A771S763-A767 VanDerWaalsContact O-CB 3.29Å; S763-A767 WeakPolarHBondContact O-CB 3.4Å; S763-A767 PolarHBondContact O-N 3.34Å; S764-A767 PolarHBondContact O-N 3.5Å; A767-Q769 PolarHBondContact O-N 3.33Å; A767-V770 PolarHBondContact O-N 3.01Å; A767-A771 WeakPolarHBondContact O-CB 3.39Å; A767-A771 PolarHBondContact O-N 3.47Å
768A68.6Low59.9Low62 Ų6299.2 Ų99.251%0.51258%0.579SS.*Hα-helixtrans-62.9-39.817400000112.2S764 A765 A771 A772S764-A768 WeakPolarHBondContact O-CB 3.32Å; S764-A768 PolarHBondContact O-N 2.92Å; A765-A768 PolarHBondContact O-N 3.03Å; A768-A771 PolarHBondContact O-N 3.36Å; A768-A772 WeakPolarHBondContact O-CB 3.49Å; A768-A772 PolarHBondContact O-N 3.48Å
769Q70.6Confident59.9Low113 Ų11397.9 Ų97.953%0.52858%0.578SS.*Hα-helixtrans-67.8-37.4176.8-167.1177.737.600112.6A765 L766 A767 R773A765-Q769 WeakPolarHBondContact O-CB 3.29Å; A765-Q769 PolarHBondContact O-N 3.23Å; L766-Q769 PolarHBondContact O-N 2.82Å; A767-Q769 PolarHBondContact O-N 3.33Å; Q769-R773 PolarHBondContact O-N 3.49Å; Q769-R773 VanDerWaalsContact O-N 3.09Å
770V71.3Confident59.8Low93 Ų93100.7 Ų100.756%0.56457%0.573SS**Hα-helixtrans-68.4-41.8174.21710000111L766 A767 R773 S774L766-V770 WeakPolarHBondContact O-CG2 3.26Å; L766-V770 PolarHBondContact O-N 2.98Å; A767-V770 PolarHBondContact O-N 3.01Å; V770-R773 PolarHBondContact O-N 2.85Å; V770-S774 PolarHBondContact O-N 2.95Å
771A70Confident59.8Low46 Ų46102.2 Ų102.238%0.3858%0.577SS.*Hα-helixtrans-65.1-39.7175.600000112.8A767 A768 R773 S774 Q775A767-A771 WeakPolarHBondContact O-CB 3.39Å; A767-A771 PolarHBondContact O-N 3.47Å; A768-A771 PolarHBondContact O-N 3.36Å; A771-R773 VanDerWaalsContact C-N 3.32Å; A771-R773 PolarHBondContact O-N 2.89Å; A771-S774 PolarHBondContact O-N 2.89Å; A771-S774 PolarHBondContact O-OG 3.44Å; A771-Q775 PolarHBondContact O-N 3.46Å; A771-Q775 VanDerWaalsContact O-N 3.16Å
772A66.5Low59.6Low63 Ų63108 Ų10852%0.52160%0.597SS.*Hα-helixtrans-64.1-37.4173.300000112A768 S776A768-A772 WeakPolarHBondContact O-CB 3.49Å; A768-A772 PolarHBondContact O-N 3.48Å; A772-S776 PolarHBondContact O-N 3.44Å
773R58.8Low59Low175 Ų175107.2 Ų107.266%0.6660%0.595SS**Hα-helixtrans-73.3-34.8175.6-77.7-169.5172-173.4-0.8113.4Q769 V770 A771 S776 L777Q769-R773 PolarHBondContact O-N 3.49Å; Q769-R773 VanDerWaalsContact O-N 3.09Å; V770-R773 PolarHBondContact O-N 2.85Å; A771-R773 VanDerWaalsContact C-N 3.32Å; A771-R773 PolarHBondContact O-N 2.89Å; R773-S776 PolarHBondContact O-N 3.07Å; R773-S776 PolarHBondContact O-OG 2.91Å; R773-L777 PolarHBondContact O-N 3.47Å
774S62.1Low58.2Low65 Ų65109.7 Ų109.746%0.45561%0.608SS.*Hα-helixtrans-67.4-36175.665.80000112.2V770 A771 S776 L777 A778V770-S774 PolarHBondContact O-N 2.95Å; A771-S774 PolarHBondContact O-N 2.89Å; A771-S774 PolarHBondContact O-OG 3.44Å; S774-S776 VanDerWaalsContact C-N 3.27Å; S774-S776 PolarHBondContact O-N 3.3Å; S774-L777 PolarHBondContact O-N 3.28Å; S774-L777 VanDerWaalsContact O-N 3.1Å; S774-A778 PolarHBondContact O-N 3.27Å; S774-A778 VanDerWaalsContact O-N 3.12Å
775Q55.8Low57Low145 Ų145116.5 Ų116.568%0.67863%0.631SS**Hα-helixtrans-64.1-30.1171.6-71-175.73.100113A771 L777 A778A771-Q775 PolarHBondContact O-N 3.46Å; A771-Q775 VanDerWaalsContact O-N 3.16Å; Q775-L777 VanDerWaalsContact C-N 3.29Å; Q775-L777 PolarHBondContact O-N 3.44Å; Q775-A778 PolarHBondContact O-N 3.29Å
776S54.3Low56Low79 Ų79116.6 Ų116.655%0.55264%0.637SS**Hα-helixtrans-71-22.3173.178.80000114A772 R773 S774A772-S776 PolarHBondContact O-N 3.44Å; R773-S776 PolarHBondContact O-N 3.07Å; R773-S776 PolarHBondContact O-OG 2.91Å; S774-S776 VanDerWaalsContact C-N 3.27Å; S774-S776 PolarHBondContact O-N 3.3Å
777L54.5Low55Low129 Ų129120.7 Ų120.768%0.67566%0.659SS**Hα-helixtrans-82.9-33.5173.5-74.7166.2000112.1R773 S774 Q775 N779 R780R773-L777 PolarHBondContact O-N 3.47Å; S774-L777 PolarHBondContact O-N 3.28Å; S774-L777 VanDerWaalsContact O-N 3.1Å; Q775-L777 VanDerWaalsContact C-N 3.29Å; Q775-L777 PolarHBondContact O-N 3.44Å; L777-N779 PolarHBondContact O-N 3.39Å; L777-R780 PolarHBondContact O-N 3.34Å
778A54.7Low53.5Low86 Ų86125 Ų12571%0.71167%0.674SS**Hα-helixtrans-68.2-19.7178.300000114.2S774 Q775S774-A778 PolarHBondContact O-N 3.27Å; S774-A778 VanDerWaalsContact O-N 3.12Å; Q775-A778 PolarHBondContact O-N 3.29Å
779N50.1Low52.3Low153 Ų153131.4 Ų131.482%0.81869%0.693SS**THydrogen-bonded Turntrans-99.813.7177.8-100.6-0.5000113.6L777 E781L777-N779 PolarHBondContact O-N 3.39Å; N779-E781 PolarHBondContact O-N 3.45Å
780R42.3Very low50.8Low194 Ų194134.9 Ų134.973%0.73271%0.71SS**  trans-83.4106.6172.3-175.4175.9173.8118.81.3109.3L777 E782L777-R780 PolarHBondContact O-N 3.34Å; R780-E782 PolarHBondContact O-N 3.43Å
781E47.6Very low49.3Very low177 Ų177139.6 Ų139.683%0.82773%0.726SS**  trans-54.9129.8173.7-167168.3-153.500110.8N779 Q783N779-E781 PolarHBondContact O-N 3.45Å; E781-Q783 PolarHBondContact O-N 3.15Å; E781-Q783 VanDerWaalsContact O-N 3.17Å
782E48.7Very low47.6Very low181 Ų181147 Ų14785%0.84675%0.752SS**  trans-70.5107.8177.9-71.3-175141.500109.4R780 T784R780-E782 PolarHBondContact O-N 3.43Å; E782-T784 PolarHBondContact O-N 3.31Å; E782-T784 VanDerWaalsContact O-N 3.1Å
783Q41.3Very low46.1Very low163 Ų163153.5 Ų153.576%0.76277%0.772SS**  trans-75.596.2166.9-74.5-177.7-27.300108.8E781 F785E781-Q783 PolarHBondContact O-N 3.15Å; E781-Q783 VanDerWaalsContact O-N 3.17Å; Q783-F785 PolarHBondContact O-N 2.96Å
784T45Very low44.8Very low134 Ų134149 Ų14982%0.82278%0.78SS**  trans-60.3114.1167.4-300000108.7E782 G786E782-T784 PolarHBondContact O-N 3.31Å; E782-T784 VanDerWaalsContact O-N 3.1Å; T784-G786 PolarHBondContact O-N 3.32Å
785F42.2Very low43.3Very low192 Ų192149.4 Ų149.484%0.84279%0.794SS**  trans-70.7122.1163.4-86.6-96.2000107.8Q783Q783-F785 PolarHBondContact O-N 2.96Å
786G38.9Very low42.3Very low54 Ų54150.8 Ų150.856%0.55780%0.801SS**  trans-76.9147.4165.600000110T784 D788T784-G786 PolarHBondContact O-N 3.32Å; G786-D788 PolarHBondContact O-N 3.41Å
787D41.5Very low41.3Very low170 Ų170153.1 Ų153.191%0.90981%0.807SS**  trans-73100.6160.3-78.8-39.4000107.5
788D39.3Very low40.3Very low150 Ų150154.7 Ų154.780%0.80281%0.809SS**  trans-85.9109.5165.1-73.6-40.9000108.3G786 E790G786-D788 PolarHBondContact O-N 3.41Å; D788-E790 PolarHBondContact O-N 2.85Å
789E43.5Very low39.4Very low197 Ų197159.7 Ų159.792%0.92181%0.809SS**  trans-71.3105.2166.7-68.5-175153.900109
790E39Very low38.6Very low186 Ų186158.3 Ų158.387%0.86981%0.806SS**  trans-107.3118.7166.3-74-165.1149.300111.2D788D788-E790 PolarHBondContact O-N 2.85Å
791E38.8Very low38.3Very low193 Ų193154.8 Ų154.890%0.90281%0.811SS**  trans-69.3141.4167-56.7176.913000110.1
792E35Very low37.9Very low200 Ų200154.7 Ų154.794%0.93581%0.811SS**  trans-142.8141.9150.3-136.6-179-159.900112
793E34.9Very low37.4Very low201 Ų201154 Ų15494%0.93981%0.805SS**  trans-81.6155.6-163.2-57.8178.9113.800114.3
794G31.3Very low37.2Very low80 Ų80156.5 Ų156.583%0.82582%0.824SS**  trans-171.765.4175.200000114
795G30.3Very low36.9Very low73 Ų73157.7 Ų157.775%0.75382%0.824SS**  trans-63161.8-167.800000117.6
796E34.7Very low36.6Very low174 Ų174155.8 Ų155.881%0.81382%0.823SS**  179.8137.2109.8-95.9-165.3-165.800113
797N33.3Very low36.4Very low128 Ų128161.5 Ų161.568%0.68484%0.838SS**  trans48.8120.1144.5-63.3-47000119.5
798F33.7Very low36.1Very low163 Ų163161 Ų16172%0.71583%0.834SS**  -176127.959.4-155.4-111.2000113.3
799R35.1Very low36Very low191 Ų191161.7 Ų161.772%0.72184%0.836SS**  trans39.3111.7146.6-76.7-178.7176156.40.5123.1
800T33.5Very low35.5Very low123 Ų123159.3 Ų159.376%0.75583%0.83SS**  42.2126.1119.161.50000121.1
801S36.1Very low35.2Very low120 Ų120157.4 Ų157.484%0.83983%0.827SS**  -165.4137.6102.8-74.50000112.2
802E40.1Very low34.9Very low176 Ų176154.7 Ų154.782%0.82282%0.821SS**  trans-66149.9163.6-57.8151.676.100110.4
803K37.2Very low34.9Very low165 Ų165150.9 Ų150.972%0.71781%0.812SS**  175.3152.296.5-112-177169.1-176.30115.2
804D38.9Very low34.9Very low217 Ų217146.4 Ų146.4100%1.1680%0.8SS**  trans57.40154.7-52.9-27.3000119

Retrieved 804 of 804 residues in 942.9 ms (Link to these results)