A0A5K4FCP5_SCHMA Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 244 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low48.4Very low239 Ų239147 Ų147100%1.17775%0.751SS**  065.20-71.7-71.2-158.900110.6
2L38.1Very low48.4Very low173 Ų173145.5 Ų145.591%0.90674%0.743SS**  trans-137.145.8-177.3-78.1170.3000112.6
3T47.7Very low49.3Very low134 Ų134143.8 Ų143.882%0.82273%0.731SS**  trans-129.970.2177.455.40000110.4
4N48.2Very low49.4Very low128 Ų128138.1 Ų138.168%0.68470%0.703SS**SBendtrans-155.314.5160.8-126.3-15000117S7N4-S7 PolarHBondContact OD1-OG 3.23Å
5Q47.5Very low49.2Very low174 Ų174136.5 Ų136.581%0.81370%0.695SS**SBendtrans-99.2-22.3178.6-73.7-177.8-17.800114.4
6K52Low48.8Very low189 Ų189134.8 Ų134.882%0.82269%0.687SS**SBendtrans-78.7-23.4-179.9-81.3-173.9176.6-1780114.6
7S50.4Low49Very low72 Ų72135.6 Ų135.650%0.50369%0.685SS.*SBendtrans-74.8-23.6-178.850.60000113.3N4N4-S7 PolarHBondContact OD1-OG 3.23Å
8Q50.6Low48.8Very low145 Ų145136.6 Ų136.668%0.67869%0.686SS**G310 helixtrans-75.6-22.6-179-67.2-148.6-1900113.8F10 N14Q8-F10 VanDerWaalsContact C-N 3.29Å; Q8-F10 PolarHBondContact O-N 3.14Å; Q8-N14 PolarHBondContact O-ND2 3.35Å
9L50.1Low48.6Very low130 Ų130133.3 Ų133.368%0.68168%0.677SS**G310 helixtrans-72.2-22.7178-69.7178000113.1
10F53.4Low48.1Very low176 Ų176133.7 Ų133.777%0.77268%0.681SS**G310 helixtrans-107.526.1-178.7-70-80.3000113.3Q8Q8-F10 VanDerWaalsContact C-N 3.29Å; Q8-F10 PolarHBondContact O-N 3.14Å
11S57.6Low47.5Very low57 Ų57134 Ų13440%0.39968%0.684SS.*  trans-79.2133.8171.4-165.40000110.1E13 N14S11-E13 PolarHBondContact O-N 3.19Å; S11-N14 WeakPolarHBondContact O-CB 3.46Å; S11-N14 PolarHBondContact O-N 3.41Å
12I47.9Very low47.4Very low129 Ų129131.7 Ų131.766%0.66267%0.669SS**Hα-helixtrans-52.4-31.8-178.4-64.7172.6000111.8N14 I15 L16I12-N14 VanDerWaalsContact C-N 3.3Å; I12-N14 PolarHBondContact O-N 3.13Å; I12-I15 PolarHBondContact O-N 3.43Å; I12-L16 HydrophobicContact CG2-CD1 4.01Å; I12-L16 PolarHBondContact O-N 2.8Å
13E60.2Low47.3Very low124 Ų124130.8 Ų130.858%0.57966%0.664SS**Hα-helixtrans-55.8-35.7172.9-78.7-86.7154.400113.9S11 K17S11-E13 PolarHBondContact O-N 3.19Å; E13-K17 PolarHBondContact O-N 3.25Å
14N50Low46.6Very low64 Ų64133.3 Ų133.334%0.34267%0.667SS.*Hα-helixtrans-78.9-24.8-179.4-74.6-18.5000112.9Q8 S11 I12Q8-N14 PolarHBondContact O-ND2 3.35Å; S11-N14 WeakPolarHBondContact O-CB 3.46Å; S11-N14 PolarHBondContact O-N 3.41Å; I12-N14 VanDerWaalsContact C-N 3.3Å; I12-N14 PolarHBondContact O-N 3.13Å
15I47.7Very low45.9Very low114 Ų114132.3 Ų132.359%0.58567%0.67SS**Hα-helixtrans-76.5-37.1178.2-60.6175000109.7I12 K17 Q18I12-I15 PolarHBondContact O-N 3.43Å; I15-K17 PolarHBondContact O-N 3.49Å; I15-Q18 PolarHBondContact O-N 2.94Å
16L42.9Very low45Very low109 Ų109131.3 Ų131.357%0.57167%0.67SS**Hα-helixtrans-70-27.2177.3-78.5155.5000113.7I12 S19I12-L16 HydrophobicContact CG2-CD1 4.01Å; I12-L16 PolarHBondContact O-N 2.8Å; L16-S19 PolarHBondContact O-OG 3.43Å
17K51.6Low44.2Very low148 Ų148130.3 Ų130.364%0.64367%0.672SS**THydrogen-bonded Turntrans-79.5-16.2178.3-72.7-177.3-178.2178.90114.3E13 I15E13-K17 PolarHBondContact O-N 3.25Å; I15-K17 PolarHBondContact O-N 3.49Å
18Q44.8Very low43.5Very low153 Ų153134 Ų13472%0.71569%0.686SS**THydrogen-bonded Turntrans-89.7-13.6179.5-69.7-179.835.200113I15 D20I15-Q18 PolarHBondContact O-N 2.94Å; Q18-D20 VanDerWaalsContact C-N 3.34Å; Q18-D20 PolarHBondContact O-N 3.5Å
19S45.1Very low42.6Very low74 Ų74135.1 Ų135.152%0.51769%0.691SS.*G310 helixtrans-79.1-8.7-176.944.10000115.2L16 N21L16-S19 PolarHBondContact O-OG 3.43Å; S19-N21 PolarHBondContact O-N 3.45Å; S19-N21 VanDerWaalsContact O-N 3.13Å
20D38.4Very low41.8Very low141 Ų141136.2 Ų136.275%0.75470%0.697SS**G310 helixtrans-74.53.5-179.5-72.3-23.6000114.6Q18Q18-D20 VanDerWaalsContact C-N 3.34Å; Q18-D20 PolarHBondContact O-N 3.5Å
21N36.9Very low40.9Very low140 Ų140135.2 Ų135.275%0.74970%0.7SS**G310 helixtrans-117.88.2-175.6-82.9-32.9000116.6S19 N23S19-N21 PolarHBondContact O-N 3.45Å; S19-N21 VanDerWaalsContact O-N 3.13Å; N21-N23 PolarHBondContact O-N 3.45Å
22F35Very low39.9Very low192 Ų192141.8 Ų141.884%0.84273%0.725SS**  trans-99.787.9174.3-87.9-85.3000112.1H24F22-H24 PolarHBondContact O-N 3.48Å
23N35.8Very low39.6Very low153 Ų153141.9 Ų141.982%0.81873%0.732SS**  trans-53.3125.3168.2-81.1-53000111.3N21 S25N21-N23 PolarHBondContact O-N 3.45Å; N23-S25 PolarHBondContact O-N 3.13Å
24H33.6Very low38.4Very low188 Ų188143.8 Ų143.887%0.8774%0.74SS**  trans-59.5114.4171.1-85.910000111.7F22F22-H24 PolarHBondContact O-N 3.48Å
25S31.7Very low37.7Very low107 Ų107148 Ų14875%0.74876%0.762SS**  trans-113103.4159.437.70000110N23N23-S25 PolarHBondContact O-N 3.13Å
26N30.2Very low37.1Very low153 Ų153151.5 Ų151.582%0.81877%0.773SS**  trans24.898.4148.1-75.2-31.3000117.7
27I34.2Very low36.6Very low167 Ų167152 Ų15286%0.85678%0.781SS**  trans-102.1108.1149.8-68173000106.4Q29I27-Q29 PolarHBondContact O-N 3.29Å
28N35.2Very low35.7Very low150 Ų150150.9 Ų150.980%0.80278%0.781SS**  trans-56.3129.8177.5-94-35.3000110.7
29Q31.7Very low34.9Very low169 Ų169152.1 Ų152.179%0.7979%0.787SS**  trans-62.1132.4160-61.7170.3-12.300108I27I27-Q29 PolarHBondContact O-N 3.29Å
30N34.2Very low34.7Very low152 Ų152157.4 Ų157.481%0.81380%0.797SS**  trans158.174.5146.4-75.2-16.2000108.7
31D35.5Very low35.2Very low155 Ų155156.3 Ų156.383%0.82980%0.797SS**  trans-136.992.2154-92.3-31.8000106.3T33D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 2.98Å; D31-T33 PolarHBondContact O-OG1 3.48Å
32E35.1Very low35.8Very low196 Ų196154.3 Ų154.392%0.91679%0.794SS**  trans-58.692.6169.9-67.3-171.9152.200108.3E34E32-E34 VanDerWaalsContact C-N 3.34Å; E32-E34 PolarHBondContact O-N 3.36Å
33T41.5Very low35.9Very low131 Ų131151.7 Ų151.780%0.80479%0.789SS**  trans-78.190.6175.1-43.40000107.5D31 L35D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 2.98Å; D31-T33 PolarHBondContact O-OG1 3.48Å; T33-L35 PolarHBondContact O-N 2.96Å; T33-L35 VanDerWaalsContact O-N 3.11Å
34E35.5Very low35.9Very low164 Ų164154.6 Ų154.677%0.76679%0.79SS**  trans-53.1112.1173.5-104.2-175.8155.100110.8E32 F36E32-E34 VanDerWaalsContact C-N 3.34Å; E32-E34 PolarHBondContact O-N 3.36Å; E34-F36 PolarHBondContact O-N 2.92Å
35L35.9Very low36.2Very low153 Ų153154.3 Ų154.380%0.80179%0.786SS**  trans-77.9100.2176.2-169.6107.1000109.2T33 T37T33-L35 PolarHBondContact O-N 2.96Å; T33-L35 VanDerWaalsContact O-N 3.11Å; L35-T37 PolarHBondContact O-N 3.28Å
36F33.6Very low36.5Very low187 Ų187156.4 Ų156.482%0.8279%0.788SS**  trans-59.7107.8172.7-84.8-89.2000111.1E34 I38E34-F36 PolarHBondContact O-N 2.92Å; F36-I38 PolarHBondContact O-N 3.49Å
37T32.4Very low37.1Very low118 Ų118156.6 Ų156.672%0.72479%0.789SS**  trans-82.7109.2172-64.10000109.2L35 Q39L35-T37 PolarHBondContact O-N 3.28Å; T37-Q39 PolarHBondContact O-N 3.01Å
38I34.2Very low37.4Very low126 Ų126154.7 Ų154.765%0.64679%0.785SS**  trans-79.598.6174.8-56.8173.7000108.2F36 Y40F36-I38 PolarHBondContact O-N 3.49Å; I38-Y40 HydrophobicContact CB-CE2 4.44Å; I38-Y40 HydrophobicContact CG2-CD2 3.98Å; I38-Y40 HydrophobicContact CG2-CE2 3.61Å; I38-Y40 PolarHBondContact O-N 3.12Å
39Q27.6Very low38.1Very low179 Ų179158.6 Ų158.684%0.83679%0.788SS**  trans-80.9101172.7-172.1174.2-21.200109.3T37T37-Q39 PolarHBondContact O-N 3.01Å
40Y41.1Very low38.9Very low185 Ų185159 Ų15973%0.72578%0.783SS**  trans-71.6133.5169.5-76.2-84000109.6I38 S42I38-Y40 HydrophobicContact CB-CE2 4.44Å; I38-Y40 HydrophobicContact CG2-CD2 3.98Å; I38-Y40 HydrophobicContact CG2-CE2 3.61Å; I38-Y40 PolarHBondContact O-N 3.12Å; Y40-S42 PolarHBondContact O-N 3.29Å
41P49.3Very low39.8Very low117 Ų117155.1 Ų155.176%0.7677%0.765SS**  trans-61.4107.7172.4-17.929.8000109
42S47.6Very low40.8Very low99 Ų99150.4 Ų150.469%0.69274%0.741SS**  trans-64.5135.1173.6-156.50000108.1Y40Y40-S42 PolarHBondContact O-N 3.29Å
43D38.7Very low41.7Very low136 Ų136144.1 Ų144.173%0.72771%0.714SS**  trans104.536.5157.5-46.2-18.3000119.4K45D43-K45 PolarHBondContact O-N 2.93Å
44Y34.6Very low42.7Very low214 Ų214147.5 Ų147.584%0.83972%0.72SS**  trans-71.371.5154.369.8-86.7000111L46Y44-L46 PolarHBondContact O-N 3.26Å
45K41.3Very low44Very low182 Ų182146.7 Ų146.779%0.79172%0.721SS**  trans-80.899.5159.4-85.8-178.9177173.70107.5D43 N47D43-K45 PolarHBondContact O-N 2.93Å; K45-N47 VanDerWaalsContact C-N 3.29Å; K45-N47 PolarHBondContact O-N 3.06Å
46L37.4Very low45.1Very low152 Ų152144.7 Ų144.780%0.79671%0.712SS**  trans-58.993167.2-88.4159.8000108.8Y44 V48Y44-L46 PolarHBondContact O-N 3.26Å; L46-V48 HydrophobicContact CB-CG2 4.32Å; L46-V48 PolarHBondContact O-N 3.21Å
47N41.7Very low46.4Very low156 Ų156139.1 Ų139.183%0.83470%0.696SS**  trans-72.681.5172-95.1-28.2000108.9K45 R49K45-N47 VanDerWaalsContact C-N 3.29Å; K45-N47 PolarHBondContact O-N 3.06Å; N47-R49 PolarHBondContact O-N 3.32Å
48V40.5Very low47.6Very low127 Ų127139 Ų13977%0.7769%0.69SS**  trans-78.868.7171.8-168.80000108.4L46 R50L46-V48 HydrophobicContact CB-CG2 4.32Å; L46-V48 PolarHBondContact O-N 3.21Å; V48-R50 PolarHBondContact O-N 2.9Å
49R51Low49Very low232 Ų232135.9 Ų135.988%0.87568%0.675SS**  trans-72.1108.8164.7-161.4156.3-171.3131.9-1.5106.1N47 V51N47-R49 PolarHBondContact O-N 3.32Å; R49-V51 PolarHBondContact O-N 2.87Å
50R48.6Very low50.6Low177 Ų177132.2 Ų132.267%0.66866%0.658SS**  trans-58.5108.1-178.2-156.5-164.1-75.4177.2-5.1108.4V48 V52 L58V48-R50 PolarHBondContact O-N 2.9Å; R50-V52 HydrophobicContact CB-CG1 4.48Å; R50-V52 HydrophobicContact CG-CG1 3.6Å; R50-V52 PolarHBondContact O-N 3.48Å; R50-L58 HydrophobicContact CG-CD2 4.19Å
51V52.9Low51.6Low72 Ų72126.9 Ų126.944%0.43665%0.647SS.*  trans-84.294.3170.1-177.30000105.9R49R49-V51 PolarHBondContact O-N 2.87Å
52V55.7Low52.3Low56 Ų56123.4 Ų123.434%0.33963%0.626SS.*BIsolated β-bridgetrans-104.3146.5172.4-65.60000109.4R50 S57 L58R50-V52 HydrophobicContact CB-CG1 4.48Å; R50-V52 HydrophobicContact CG-CG1 3.6Å; R50-V52 PolarHBondContact O-N 3.48Å; V52-S57 WeakPolarHBondContact CA-O 3.49Å; V52-L58 HydrophobicContact CG1-CD2 4.49Å
53D53.9Low53.1Low64 Ų64122 Ų12234%0.34261%0.61SS.*  trans-78.8179.6167.96219.3000111.8N55 N56 S57D53-N55 PolarHBondContact O-N 3.44Å; D53-N55 VanDerWaalsContact O-N 3.12Å; D53-N55 PolarHBondContact OD1-N 3.37Å; D53-N55 VanDerWaalsContact OD1-N 3.17Å; D53-N56 PolarHBondContact O-N 2.93Å; D53-N56 PolarHBondContact OD1-N 3.45Å; D53-S57 PolarHBondContact N-O 2.87Å; D53-S57 WeakPolarHBondContact OD1-CA 3.31Å; D53-S57 WeakPolarHBondContact OD1-CB 3.12Å; D53-S57 PolarHBondContact OD1-N 2.93Å; D53-S57 VanDerWaalsContact OD1-O 3.12Å
54E63.9Low54.5Low201 Ų201118 Ų11894%0.93959%0.585SS**THydrogen-bonded Turntrans-59.7-20.6-179.2-63.7-177.6170.700113.5N56E54-N56 VanDerWaalsContact C-N 3.33Å
55N61.1Low56Low147 Ų147111.9 Ų111.979%0.78657%0.573SS**THydrogen-bonded Turntrans-95.913.4176.4-65.7-42.4000112.6D53 S57D53-N55 PolarHBondContact O-N 3.44Å; D53-N55 VanDerWaalsContact O-N 3.12Å; D53-N55 PolarHBondContact OD1-N 3.37Å; D53-N55 VanDerWaalsContact OD1-N 3.17Å; N55-S57 PolarHBondContact O-N 3.3Å; N55-S57 VanDerWaalsContact O-N 3.16Å
56N60.4Low57.5Low112 Ų112110.4 Ų110.460%0.59957%0.567SS**SBendtrans58.123.7-179.2-160.831.1000113.4D53 E54D53-N56 PolarHBondContact O-N 2.93Å; D53-N56 PolarHBondContact OD1-N 3.45Å; E54-N56 VanDerWaalsContact C-N 3.33Å
57S60Low59.2Low69 Ų69110.1 Ų110.148%0.48356%0.556SS.*  trans-94.8150.4172.8-167.20000110V52 D53 N55 N59V52-S57 WeakPolarHBondContact CA-O 3.49Å; D53-S57 PolarHBondContact N-O 2.87Å; D53-S57 WeakPolarHBondContact OD1-CA 3.31Å; D53-S57 WeakPolarHBondContact OD1-CB 3.12Å; D53-S57 PolarHBondContact OD1-N 2.93Å; D53-S57 VanDerWaalsContact OD1-O 3.12Å; N55-S57 PolarHBondContact O-N 3.3Å; N55-S57 VanDerWaalsContact O-N 3.16Å; S57-N59 PolarHBondContact O-N 3.41Å
58L57.7Low60.1Low115 Ų115110.2 Ų110.260%0.60256%0.557SS**BIsolated β-bridgetrans-71.6116.2179.5-69.7168.7000109.3R50 V52 E60R50-L58 HydrophobicContact CG-CD2 4.19Å; V52-L58 HydrophobicContact CG1-CD2 4.49Å; L58-E60 VanDerWaalsContact C-N 3.26Å; L58-E60 PolarHBondContact O-N 2.88Å
59N63.9Low61.3Low62 Ų62108.8 Ų108.833%0.33255%0.545SS..  trans-78.379.5172.5-174.8-7.7000109.9S57 S61 S62S57-N59 PolarHBondContact O-N 3.41Å; N59-S61 PolarHBondContact O-N 2.8Å; N59-S61 PolarHBondContact OD1-N 3.29Å; N59-S62 PolarHBondContact O-N 3.11Å; N59-S62 PolarHBondContact OD1-N 3.32Å; N59-S62 VanDerWaalsContact OD1-N 3.1Å
60E60.3Low62Low102 Ų102106.4 Ų106.448%0.47754%0.541SS..Hα-helixtrans-54.5-39.6177.6-108.9-177157.400112.2L58 S62 I63 Y64L58-E60 VanDerWaalsContact C-N 3.26Å; L58-E60 PolarHBondContact O-N 2.88Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 3.03Å; E60-I63 WeakPolarHBondContact O-CB 3.47Å; E60-I63 PolarHBondContact O-N 3.43Å; E60-Y64 HydrophobicContact CB-CD2 4.25Å; E60-Y64 HydrophobicContact CB-CE2 3.83Å; E60-Y64 HydrophobicContact CG-CE2 3.89Å; E60-Y64 WeakPolarHBondContact O-CD2 3.35Å; E60-Y64 PolarHBondContact O-N 2.91Å
61S63.8Low62.4Low72 Ų72104.2 Ų104.250%0.50354%0.538SS..Hα-helixtrans-61.6-32.6179.8-61.10000113.5N59 I63 S65N59-S61 PolarHBondContact O-N 2.8Å; N59-S61 PolarHBondContact OD1-N 3.29Å; S61-I63 VanDerWaalsContact C-N 3.33Å; S61-S65 WeakPolarHBondContact O-CB 3.37Å; S61-S65 PolarHBondContact O-N 3.38Å; S61-S65 VanDerWaalsContact O-N 3.07Å; S61-S65 PolarHBondContact O-OG 2.93Å
62S62.5Low62.4Low45 Ų45104.2 Ų104.232%0.31554%0.535SS..Hα-helixtrans-68.8-33.2173.8178.30000112.2N59 E60 S65 K66N59-S62 PolarHBondContact O-N 3.11Å; N59-S62 PolarHBondContact OD1-N 3.32Å; N59-S62 VanDerWaalsContact OD1-N 3.1Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 3.03Å; S62-S65 WeakPolarHBondContact CA-OG 3.34Å; S62-S65 PolarHBondContact O-OG 2.97Å; S62-S65 VanDerWaalsContact O-OG 3.12Å; S62-K66 VanDerWaalsContact O-CB 3.28Å; S62-K66 WeakPolarHBondContact O-CB 3.45Å; S62-K66 PolarHBondContact O-N 3.24Å
63I64.9Low62.4Low68 Ų68107.4 Ų107.435%0.34955%0.55SS.*Hα-helixtrans-71-47.4177.7-58.6175.6000109.8E60 S61 S65 K66 Y67E60-I63 WeakPolarHBondContact O-CB 3.47Å; E60-I63 PolarHBondContact O-N 3.43Å; S61-I63 VanDerWaalsContact C-N 3.33Å; I63-S65 PolarHBondContact O-N 3.34Å; I63-K66 PolarHBondContact O-N 2.8Å; I63-Y67 HydrophobicContact CG2-CD2 4.08Å; I63-Y67 HydrophobicContact CG2-CE2 4.29Å; I63-Y67 WeakPolarHBondContact O-CD2 3.13Å; I63-Y67 PolarHBondContact O-N 2.78Å
64Y69.4Low62.6Low54 Ų54109.6 Ų109.621%0.21257%0.568CS.*Hα-helixtrans-60.5-43.5179-69.2-64000111.9E60 N68 L69 Q71E60-Y64 HydrophobicContact CB-CD2 4.25Å; E60-Y64 HydrophobicContact CB-CE2 3.83Å; E60-Y64 HydrophobicContact CG-CE2 3.89Å; E60-Y64 WeakPolarHBondContact O-CD2 3.35Å; E60-Y64 PolarHBondContact O-N 2.91Å; Y64-N68 CarbonylContact O-C 3.59Å; Y64-N68 WeakPolarHBondContact O-CA 3.32Å; Y64-N68 PolarHBondContact O-N 2.79Å; Y64-L69 WeakPolarHBondContact CB-O 3.32Å; Y64-L69 HydrophobicContact CD1-CB 3.8Å; Y64-L69 PolarHBondContact O-N 2.87Å; Y64-Q71 HydrophobicContact CD2-CB 4.48Å; Y64-Q71 HydrophobicContact CD2-CG 4.38Å; Y64-Q71 HydrophobicContact CE2-CG 4.24Å
65S65.2Low62.1Low85 Ų85106.6 Ų106.659%0.59456%0.557SS**Hα-helixtrans-68.6-40.9177.456.40000113.6S61 S62 I63 Y67 N68S61-S65 WeakPolarHBondContact O-CB 3.37Å; S61-S65 PolarHBondContact O-N 3.38Å; S61-S65 VanDerWaalsContact O-N 3.07Å; S61-S65 PolarHBondContact O-OG 2.93Å; S62-S65 WeakPolarHBondContact CA-OG 3.34Å; S62-S65 PolarHBondContact O-OG 2.97Å; S62-S65 VanDerWaalsContact O-OG 3.12Å; I63-S65 PolarHBondContact O-N 3.34Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-Y67 PolarHBondContact O-N 3.22Å; S65-N68 PolarHBondContact O-N 3.32Å
66K73.8Confident61.5Low151 Ų151104.1 Ų104.166%0.65754%0.541SS*.Hα-helixtrans-59.7-37.4178.8178.1176.6176.9-177.70113.2S62 I63S62-K66 VanDerWaalsContact O-CB 3.28Å; S62-K66 WeakPolarHBondContact O-CB 3.45Å; S62-K66 PolarHBondContact O-N 3.24Å; I63-K66 PolarHBondContact O-N 2.8Å
67Y71.4Confident61.1Low145 Ų145104.8 Ų104.857%0.56954%0.535SS*.THydrogen-bonded Turntrans-103.28.5-178.2-63.9-71.9000113.2I63 S65 L69I63-Y67 HydrophobicContact CG2-CD2 4.08Å; I63-Y67 HydrophobicContact CG2-CE2 4.29Å; I63-Y67 WeakPolarHBondContact O-CD2 3.13Å; I63-Y67 PolarHBondContact O-N 2.78Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-Y67 PolarHBondContact O-N 3.22Å; Y67-L69 HydrophobicContact CD2-CD1 4.46Å; Y67-L69 HydrophobicContact CG-CD1 4.32Å; Y67-L69 PolarHBondContact O-N 2.99Å; Y67-L69 VanDerWaalsContact O-N 3.12Å
68N62Low60.3Low159 Ų159105.7 Ų105.785%0.8553%0.532SS*.THydrogen-bonded Turntrans5232.9-177.4-130.6-1.1000112.8Y64 S65Y64-N68 CarbonylContact O-C 3.59Å; Y64-N68 WeakPolarHBondContact O-CA 3.32Å; Y64-N68 PolarHBondContact O-N 2.79Å; S65-N68 PolarHBondContact O-N 3.32Å
69L64.3Low59.9Low97 Ų97103 Ų10351%0.50852%0.521SS..  trans-84.1129.6176.3-71155.3000107.6Y64 Y67Y64-L69 WeakPolarHBondContact CB-O 3.32Å; Y64-L69 HydrophobicContact CD1-CB 3.8Å; Y64-L69 PolarHBondContact O-N 2.87Å; Y67-L69 HydrophobicContact CD2-CD1 4.46Å; Y67-L69 HydrophobicContact CG-CD1 4.32Å; Y67-L69 PolarHBondContact O-N 2.99Å; Y67-L69 VanDerWaalsContact O-N 3.12Å
70K67Low59.7Low182 Ų182106 Ų10679%0.79154%0.536SS*.  trans-68135.9169.7-67.1-176.7180-178.70108.5L72K70-L72 PolarHBondContact O-N 3.49Å
71Q55.4Low59.7Low130 Ų130107.4 Ų107.461%0.60754%0.54SS*.  trans-63.9106.5165.4-165.9172.71900106.2Y64Y64-Q71 HydrophobicContact CD2-CB 4.48Å; Y64-Q71 HydrophobicContact CD2-CG 4.38Å; Y64-Q71 HydrophobicContact CE2-CG 4.24Å
72L54.4Low59.5Low73 Ų73110.2 Ų110.238%0.38254%0.541SS..  trans-68137.6179-55.7175.9000107.5K70 E76 L80K70-L72 PolarHBondContact O-N 3.49Å; L72-E76 HydrophobicContact CB-CB 4.07Å; L72-E76 HydrophobicContact CB-CG 4.3Å; L72-E76 HydrophobicContact CD1-CG 4.34Å; L72-E76 WeakPolarHBondContact CD2-OE2 3.23Å; L72-L80 HydrophobicContact CD1-CD1 4.44Å
73D54.5Low59.2Low123 Ų123112 Ų11266%0.65855%0.551SS**  trans-52.7146.7176.8-83.6-47.5000109.6I75 E76D73-I75 PolarHBondContact O-N 2.8Å; D73-E76 PolarHBondContact O-N 3.38Å
74P58.2Low58.8Low109 Ų109115.6 Ų115.671%0.70857%0.571SS**Hα-helixtrans-50.5-23.7-175.4-29.835.1000115
75I52.8Low57.7Low139 Ų139119.8 Ų119.871%0.71359%0.588SS**Hα-helixtrans-71.3-38.7176.7-60.5174.2000111.7D73 Q78 T79D73-I75 PolarHBondContact O-N 2.8Å; I75-Q78 PolarHBondContact O-N 2.81Å; I75-T79 WeakPolarHBondContact O-CG2 3.46Å
76E50.5Low56.6Low95 Ų95119.9 Ų119.944%0.44458%0.576SS.*Hα-helixtrans-77.8-29.8-174.6-168.7175.3-162.200112.3L72 D73 Q78 T79 L80L72-E76 HydrophobicContact CB-CB 4.07Å; L72-E76 HydrophobicContact CB-CG 4.3Å; L72-E76 HydrophobicContact CD1-CG 4.34Å; L72-E76 WeakPolarHBondContact CD2-OE2 3.23Å; D73-E76 PolarHBondContact O-N 3.38Å; E76-Q78 VanDerWaalsContact C-N 3.3Å; E76-Q78 PolarHBondContact O-N 3.29Å; E76-T79 PolarHBondContact O-OG1 2.78Å; E76-L80 HydrophobicContact CG-CD1 4.2Å; E76-L80 WeakPolarHBondContact O-CD1 3.29Å; E76-L80 PolarHBondContact O-N 3.45Å
77Y50.5Low55.4Low125 Ų125119.3 Ų119.349%0.4958%0.579SS.*Hα-helixtrans-66.4-33.4174.3-172.7-103.8000112.7
78Q43.9Very low54.2Low88 Ų88119.4 Ų119.441%0.41159%0.589SS.*Hα-helixtrans-73.5-35.4-178.2-134.175.912.700112.2I75 E76 Y82 Y86I75-Q78 PolarHBondContact O-N 2.81Å; E76-Q78 VanDerWaalsContact C-N 3.3Å; E76-Q78 PolarHBondContact O-N 3.29Å; Q78-Y82 PolarHBondContact O-N 2.97Å; Q78-Y86 HydrophobicContact CB-CE2 3.92Å; Q78-Y86 HydrophobicContact CG-CE2 3.52Å; Q78-Y86 WeakPolarHBondContact CG-OH 3.31Å
79T49.7Very low53.4Low60 Ų60117.7 Ų117.737%0.36858%0.576SS.*Hα-helixtrans-72.2-34.1-179.8590000112.6I75 E76 Y82 P83I75-T79 WeakPolarHBondContact O-CG2 3.46Å; E76-T79 PolarHBondContact O-OG1 2.78Å; T79-Y82 CarbonylContact O-C 3.51Å; T79-P83 VanDerWaalsContact O-CA 3.24Å; T79-P83 WeakPolarHBondContact O-CA 3.37Å
80L59.5Low52.3Low124 Ų124121.1 Ų121.165%0.64960%0.595SS**Hα-helixtrans-70.6-32.4177.4-94.1114.6000113.6L72 E76L72-L80 HydrophobicContact CD1-CD1 4.44Å; E76-L80 HydrophobicContact CG-CD1 4.2Å; E76-L80 WeakPolarHBondContact O-CD1 3.29Å; E76-L80 PolarHBondContact O-N 3.45Å
81K61Low51.2Low131 Ų131118.8 Ų118.857%0.5759%0.591SS**Hα-helixtrans-81.2-28.9-176.9-139.3-175.8-171-168.80112.7
82Y58.4Low50.4Low132 Ų132119.8 Ų119.852%0.51860%0.595SS.*  trans-142.972.7-180-56.4-76.2000110.9Q78 T79 D84 Y85Q78-Y82 PolarHBondContact O-N 2.97Å; T79-Y82 CarbonylContact O-C 3.51Å; Y82-D84 PolarHBondContact O-N 2.73Å; Y82-D84 VanDerWaalsContact O-N 3.17Å; Y82-Y85 PolarHBondContact O-N 2.99Å; Y82-Y85 VanDerWaalsContact O-N 3.11Å
83P56.7Low49.9Very low82 Ų82127.1 Ų127.153%0.53262%0.618SS.*THydrogen-bonded Turntrans-59.5-30.3-176.320.3-30.9000113.1T79T79-P83 VanDerWaalsContact O-CA 3.24Å; T79-P83 WeakPolarHBondContact O-CA 3.37Å
84D56.2Low49.3Very low144 Ų144129.5 Ų129.577%0.7763%0.625SS**THydrogen-bonded Turntrans-83.9-17.9-180-59.7-45.6000114.1Y82Y82-D84 PolarHBondContact O-N 2.73Å; Y82-D84 VanDerWaalsContact O-N 3.17Å
85Y47.4Very low48.6Very low141 Ų141132.2 Ų132.255%0.55363%0.627SS**THydrogen-bonded Turntrans-79.2-29.8-172.4-169.7-97.2000113Y82Y82-Y85 PolarHBondContact O-N 2.99Å; Y82-Y85 VanDerWaalsContact O-N 3.11Å
86Y41.6Very low48.1Very low88 Ų88132.9 Ų132.935%0.34563%0.627SS.*G310 helixtrans-98.24-176.1-66.6-73.9000114.7Q78 N88Q78-Y86 HydrophobicContact CB-CE2 3.92Å; Q78-Y86 HydrophobicContact CG-CE2 3.52Å; Q78-Y86 WeakPolarHBondContact CG-OH 3.31Å; Y86-N88 PolarHBondContact O-N 3.48Å; Y86-N88 VanDerWaalsContact O-N 3.09Å
87I47.3Very low47.7Very low139 Ų139137.2 Ų137.271%0.71365%0.647SS**G310 helixtrans-67.7-4.5171.9-74.6168.1000112
88N47.7Very low47.2Very low147 Ų147137.5 Ų137.579%0.78665%0.653SS**G310 helixtrans-140.932.5-173.9-153.5-9.7000116.9Y86Y86-N88 PolarHBondContact O-N 3.48Å; Y86-N88 VanDerWaalsContact O-N 3.09Å
89Q43.5Very low47.7Very low122 Ų122141.4 Ų141.457%0.5767%0.67SS**  trans-13624.7174.9-67.1-167.529.900116D91Q89-D91 VanDerWaalsContact C-N 3.27Å; Q89-D91 PolarHBondContact O-N 3.22Å
90N42.2Very low47.4Very low170 Ų170147.9 Ų147.991%0.90969%0.689SS**  trans-9326.4168.5-72.4-21.9000113.4
91D44.6Very low47.2Very low133 Ų133146.9 Ų146.971%0.71168%0.682SS**  trans-96.282.4158-158.55.5000108.2Q89Q89-D91 VanDerWaalsContact C-N 3.27Å; Q89-D91 PolarHBondContact O-N 3.22Å
92H38.9Very low47Very low151 Ų151143.9 Ų143.970%0.69968%0.675SS**SBendtrans155.6109.2136.8-71.2-8.8000111.7
93R43.7Very low47.2Very low226 Ų226146 Ų14685%0.85369%0.69SS**SBendtrans81.275158.3-50.3-64.6-179.7179.4-1.4117.9
94H40.9Very low47.6Very low174 Ų174149.9 Ų149.981%0.80670%0.701SS**SBend-169119.4124.1-96.5-41000112.5
95H42.8Very low48.2Very low165 Ų165148.1 Ų148.176%0.76469%0.688SS**  trans69.593.9160.5-58.290.3000119H97H95-H97 PolarHBondContact O-N 2.84Å
96H43.9Very low49.3Very low153 Ų153146.8 Ų146.871%0.70869%0.687SS**  trans-51.396.9166.1-72.5-93.7000112.7H98H96-H98 AromaticContact CE1-NE2 3.88Å; H96-H98 AromaticContact ND1-CD2 3.74Å; H96-H98 AromaticContact ND1-NE2 3.2Å; H96-H98 PolarHBondContact ND1-NE2 3.45Å; H96-H98 VanDerWaalsContact ND1-NE2 3.2Å
97H41.5Very low50.8Low187 Ų187147.7 Ų147.787%0.86670%0.697SS**  trans-106102.1139.8-103.863.5000106.2H95 H99H95-H97 PolarHBondContact O-N 2.84Å; H97-H99 PolarHBondContact O-N 2.83Å
98H40.7Very low52.2Low130 Ų130147.2 Ų147.260%0.60269%0.692SS**  trans-66.875.7168.6-82.8-72.9000108.8H96 Y100H96-H98 AromaticContact CE1-NE2 3.88Å; H96-H98 AromaticContact ND1-CD2 3.74Å; H96-H98 AromaticContact ND1-NE2 3.2Å; H96-H98 PolarHBondContact ND1-NE2 3.45Å; H96-H98 VanDerWaalsContact ND1-NE2 3.2Å; H98-Y100 VanDerWaalsContact C-N 3.34Å; H98-Y100 HydrophobicContact CB-CD2 4.4Å; H98-Y100 HydrophobicContact CB-CE2 4.02Å; H98-Y100 PolarHBondContact O-N 3.26Å; H98-Y100 VanDerWaalsContact O-N 3.17Å
99H53.4Low53.7Low170 Ų170145.5 Ų145.579%0.78768%0.679SS**  trans-73.898.9157.8-160.778.4000105.5H97 E101H97-H99 PolarHBondContact O-N 2.83Å; H99-E101 PolarHBondContact O-N 2.79Å
100Y44.6Very low55.4Low196 Ų196145.1 Ų145.177%0.76968%0.677SS**  trans-63.991.6171.2-69.4-88.4000107.7H98 P102H98-Y100 VanDerWaalsContact C-N 3.34Å; H98-Y100 HydrophobicContact CB-CD2 4.4Å; H98-Y100 HydrophobicContact CB-CE2 4.02Å; H98-Y100 PolarHBondContact O-N 3.26Å; H98-Y100 VanDerWaalsContact O-N 3.17Å; Y100-P102 VanDerWaalsContact O-CD 3.31Å; Y100-P102 WeakPolarHBondContact O-CD 3.38Å
101E54.5Low56.9Low104 Ų104141 Ų14149%0.48666%0.655SS.*  trans-65114.8165.5-161.9-176.4140.200106.4H99 Q103 Q106H99-E101 PolarHBondContact O-N 2.79Å; E101-Q103 PolarHBondContact O-N 3.49Å; E101-Q106 PolarHBondContact OE1-NE2 3.49Å
102P55.9Low58.4Low67 Ų67140 Ų14044%0.43565%0.646SS.*  trans-63.8118.7-175.322.6-29.1000108.2Y100 Q104 Q105Y100-P102 VanDerWaalsContact O-CD 3.31Å; Y100-P102 WeakPolarHBondContact O-CD 3.38Å; P102-Q104 PolarHBondContact O-N 3.23Å; P102-Q105 HydrophobicContact CG-CG 4.43Å; P102-Q105 PolarHBondContact O-N 2.82Å
103Q63.1Low60.1Low176 Ų176138.4 Ų138.482%0.82264%0.639SS**THydrogen-bonded Turntrans-49.1-17.6179.8-66.9158.613.700113.6E101E101-Q103 PolarHBondContact O-N 3.49Å
104Q65.1Low61.5Low165 Ų165133.4 Ų133.477%0.77163%0.625SS**Hα-helixtrans-64.9-32174.4-59.8-176.39.900113.6P102 Q108P102-Q104 PolarHBondContact O-N 3.23Å; Q104-Q108 PolarHBondContact O-N 3.39Å
105Q67.9Low62.9Low107 Ų107132 Ų13250%0.562%0.619SS.*Hα-helixtrans-74.6-38.5-177.4-74.9-176.60.900113.4P102 Q108 Q109P102-Q105 HydrophobicContact CG-CG 4.43Å; P102-Q105 PolarHBondContact O-N 2.82Å; Q105-Q108 PolarHBondContact O-N 2.84Å; Q105-Q109 PolarHBondContact O-N 2.91Å; Q105-Q109 VanDerWaalsContact O-N 3.14Å
106Q71.1Confident64.3Low113 Ų113130.9 Ų130.953%0.52861%0.614SS.*Hα-helixtrans-68-38.2177.2-77.4-177.811.100112.6E101 Q108 Q109 Q110E101-Q106 PolarHBondContact OE1-NE2 3.49Å; Q106-Q108 VanDerWaalsContact C-N 3.28Å; Q106-Q108 PolarHBondContact O-N 2.83Å; Q106-Q109 PolarHBondContact O-N 3.47Å; Q106-Q110 PolarHBondContact O-N 3.48Å; Q106-Q110 VanDerWaalsContact O-N 3.07Å
107L73.4Confident65.5Low106 Ų106129 Ų12956%0.55561%0.606SS**Hα-helixtrans-62.9-38.6174.8-171.263.9000111Q110 L111L107-Q110 PolarHBondContact O-N 2.96Å; L107-L111 HydrophobicContact CG-CD1 4.24Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.4Å
108Q77.5Confident66.9Low129 Ų129124.4 Ų124.460%0.60360%0.6SS**Hα-helixtrans-66.1-38.1178.2-160.2170.454.300112.4Q104 Q105 Q106 L111 Q112Q104-Q108 PolarHBondContact O-N 3.39Å; Q105-Q108 PolarHBondContact O-N 2.84Å; Q106-Q108 VanDerWaalsContact C-N 3.28Å; Q106-Q108 PolarHBondContact O-N 2.83Å; Q108-L111 PolarHBondContact O-N 2.87Å; Q108-Q112 PolarHBondContact O-N 2.69Å; Q108-Q112 VanDerWaalsContact O-N 3.08Å
109Q78.1Confident68.6Low112 Ų112127.5 Ų127.552%0.52361%0.608SS.*Hα-helixtrans-67.4-41.1174.7-71.5-17636.700112.5Q105 Q106 Q112 Q113Q105-Q109 PolarHBondContact O-N 2.91Å; Q105-Q109 VanDerWaalsContact O-N 3.14Å; Q106-Q109 PolarHBondContact O-N 3.47Å; Q109-Q112 PolarHBondContact O-N 3.26Å; Q109-Q113 WeakPolarHBondContact O-CG 3.23Å; Q109-Q113 PolarHBondContact O-N 2.75Å; Q109-Q113 VanDerWaalsContact O-N 3.08Å
110Q79.1Confident70Confident113 Ų113128.4 Ų128.453%0.52861%0.605SS.*Hα-helixtrans-63.9-40.7175.2-77.6-173.19.700112.1Q106 L107 Q113 Q114Q106-Q110 PolarHBondContact O-N 3.48Å; Q106-Q110 VanDerWaalsContact O-N 3.07Å; L107-Q110 PolarHBondContact O-N 2.96Å; Q110-Q113 PolarHBondContact O-N 2.92Å; Q110-Q114 WeakPolarHBondContact O-CG 3.28Å; Q110-Q114 PolarHBondContact O-N 3.31Å
111L75Confident71.7Confident84 Ų84129.8 Ų129.844%0.4461%0.608SS.*Hα-helixtrans-64-39.5176.8-72.9170.1000112.2L107 Q108 Q114 Q115L107-L111 HydrophobicContact CG-CD1 4.24Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.4Å; Q108-L111 PolarHBondContact O-N 2.87Å; L111-Q114 PolarHBondContact O-N 3.07Å; L111-Q115 WeakPolarHBondContact O-CG 3.33Å; L111-Q115 PolarHBondContact O-N 3.31Å; L111-Q115 VanDerWaalsContact O-N 3.1Å
112Q75.9Confident73.2Confident113 Ų113134.2 Ų134.253%0.52863%0.626SS.*Hα-helixtrans-64.9-41.3174.8-81.2-176.414.100112.3Q108 Q109 Q115 Q116Q108-Q112 PolarHBondContact O-N 2.69Å; Q108-Q112 VanDerWaalsContact O-N 3.08Å; Q109-Q112 PolarHBondContact O-N 3.26Å; Q112-Q115 PolarHBondContact O-N 3.46Å; Q112-Q116 WeakPolarHBondContact O-CG 3Å; Q112-Q116 PolarHBondContact O-N 3.06Å
113Q74.1Confident74.8Confident117 Ų117142.5 Ų142.555%0.54765%0.649SS.*Hα-helixtrans-66.7-37.7177.5-69.6-179.335.500112.2Q109 Q110 Q116 Q117Q109-Q113 WeakPolarHBondContact O-CG 3.23Å; Q109-Q113 PolarHBondContact O-N 2.75Å; Q109-Q113 VanDerWaalsContact O-N 3.08Å; Q110-Q113 PolarHBondContact O-N 2.92Å; Q113-Q116 PolarHBondContact O-N 2.73Å; Q113-Q117 WeakPolarHBondContact O-CG 3.49Å; Q113-Q117 PolarHBondContact O-N 3.49Å
114Q72.1Confident76.1Confident121 Ų121139 Ų13957%0.56564%0.639SS**Hα-helixtrans-64.4-40175.1-73.5-179.528.900112.1Q110 L111 Q116 Q117Q110-Q114 WeakPolarHBondContact O-CG 3.28Å; Q110-Q114 PolarHBondContact O-N 3.31Å; L111-Q114 PolarHBondContact O-N 3.07Å; Q114-Q116 VanDerWaalsContact C-N 3.34Å; Q114-Q116 PolarHBondContact O-N 2.93Å; Q114-Q117 PolarHBondContact O-N 3.35Å
115Q71.3Confident77.5Confident144 Ų144135.7 Ų135.767%0.67364%0.64SS**Hα-helixtrans-63.9-37177.4-73.9177.852.500112.6L111 Q112 Q117 A118L111-Q115 WeakPolarHBondContact O-CG 3.33Å; L111-Q115 PolarHBondContact O-N 3.31Å; L111-Q115 VanDerWaalsContact O-N 3.1Å; Q112-Q115 PolarHBondContact O-N 3.46Å; Q115-Q117 VanDerWaalsContact C-N 3.34Å; Q115-Q117 PolarHBondContact O-N 3.05Å; Q115-A118 PolarHBondContact O-N 2.99Å
116Q71.8Confident78.9Confident142 Ų142132.9 Ų132.966%0.66463%0.627SS**Hα-helixtrans-69.9-28.6178.6-68.7178.220.900113.3Q112 Q113 Q114 A118 Y119Q112-Q116 WeakPolarHBondContact O-CG 3Å; Q112-Q116 PolarHBondContact O-N 3.06Å; Q113-Q116 PolarHBondContact O-N 2.73Å; Q114-Q116 VanDerWaalsContact C-N 3.34Å; Q114-Q116 PolarHBondContact O-N 2.93Å; Q116-A118 VanDerWaalsContact C-N 3.28Å; Q116-A118 PolarHBondContact O-N 3.44Å; Q116-Y119 PolarHBondContact O-N 2.91Å
117Q69.5Low80.2Confident113 Ų113131.2 Ų131.253%0.52862%0.624SS.*Hα-helixtrans-66.8-30.2-179.9-71.4-177.631.300113Q113 Q114 Q115 Y119 R120Q113-Q117 WeakPolarHBondContact O-CG 3.49Å; Q113-Q117 PolarHBondContact O-N 3.49Å; Q114-Q117 PolarHBondContact O-N 3.35Å; Q115-Q117 VanDerWaalsContact C-N 3.34Å; Q115-Q117 PolarHBondContact O-N 3.05Å; Q117-Y119 VanDerWaalsContact C-N 3.26Å; Q117-Y119 PolarHBondContact O-N 3.5Å; Q117-R120 PolarHBondContact O-N 2.99Å
118A70Confident81.4Confident91 Ų91133.5 Ų133.575%0.75263%0.632SS**THydrogen-bonded Turntrans-66.2-25.8-178.400000113.1Q115 Q116 R120Q115-A118 PolarHBondContact O-N 2.99Å; Q116-A118 VanDerWaalsContact C-N 3.28Å; Q116-A118 PolarHBondContact O-N 3.44Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.22Å
119Y77.9Confident82.3Confident195 Ų195130.7 Ų130.777%0.76563%0.627SS**THydrogen-bonded Turntrans-90.713.1-176.6-157-102.2000114.4Q116 Q117 R121Q116-Y119 PolarHBondContact O-N 2.91Å; Q117-Y119 VanDerWaalsContact C-N 3.26Å; Q117-Y119 PolarHBondContact O-N 3.5Å; Y119-R121 PolarHBondContact O-N 3.06Å
120R81.2Confident83.2Confident189 Ų189126.9 Ų126.971%0.71361%0.609SS**  trans-66.7115.7172.9-71.8-158.9-102.3-155.1-3.5109.5Q117 A118 K122Q117-R120 PolarHBondContact O-N 2.99Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.22Å; R120-K122 PolarHBondContact O-N 3.28Å
121R81.9Confident84.1Confident224 Ų224124.3 Ų124.385%0.84560%0.598SS**PPolyproline II helixtrans-48.4129.4175.8-66-173.8-173.299.81.1109.4Y119 R123Y119-R121 PolarHBondContact O-N 3.06Å; R121-R123 PolarHBondContact O-N 2.85Å
122K86.2Confident85.2Confident197 Ų197126.4 Ų126.486%0.85760%0.604SS**PPolyproline II helixtrans-54.6131.2176.7-171.9174.1-178.9176.90109.1R120 T124R120-K122 PolarHBondContact O-N 3.28Å; K122-T124 PolarHBondContact O-N 2.94Å
123R88.7Confident86.2Confident242 Ų242126 Ų12691%0.91360%0.599SS**PPolyproline II helixtrans-63.7130.7177-66.3-176.6178.5179.30.6109R121R121-R123 PolarHBondContact O-N 2.85Å
124T91Very high87.3Confident101 Ų101120.5 Ų120.562%0.6257%0.573SS**PPolyproline II helixtrans-90136.4169.847.20000108.9K122K122-T124 PolarHBondContact O-N 2.94Å
125A94.7Very high88.5Confident97 Ų97117.4 Ų117.480%0.80256%0.558SS**PPolyproline II helixtrans-100.1133.2173.100000108.7
126F97.3Very high89.6Confident48 Ų48113.5 Ų113.521%0.21154%0.54CS..PPolyproline II helixtrans-81.7147.4171.7-60.4-38.4000110.2Q130 L131 L134 L158 Q162 W166F126-Q130 HydrophobicContact CB-CB 4.19Å; F126-L131 HydrophobicContact CB-CD2 3.93Å; F126-L131 HydrophobicContact CB-CG 3.95Å; F126-L131 HydrophobicContact CD2-CD2 4.02Å; F126-L131 HydrophobicContact CG-CD2 4.49Å; F126-L134 HydrophobicContact CD2-CD1 4.2Å; F126-L158 HydrophobicContact CD1-CD1 4.09Å; F126-L158 HydrophobicContact CD1-CD2 3.95Å; F126-L158 HydrophobicContact CE1-CD1 3.97Å; F126-L158 HydrophobicContact CE1-CD2 3.8Å; F126-L158 HydrophobicContact CZ-CD1 4.45Å; F126-Q162 HydrophobicContact CE1-CB 4.39Å; F126-Q162 HydrophobicContact CZ-CB 4.15Å; F126-W166 AromaticContact CD2-CD1 3.76Å; F126-W166 HydrophobicContact CE2-CB 4.07Å; F126-W166 AromaticContact CE2-CD1 3.53Å; F126-W166 HydrophobicContact CE2-CG 4.08Å
127T97.9Very high90.8Very high77 Ų77108.2 Ų108.247%0.47252%0.519SS..PPolyproline II helixtrans-69.7159.8173.871.40000110.3S129 Q130 L131T127-S129 VanDerWaalsContact C-N 3.26Å; T127-S129 PolarHBondContact O-N 3.37Å; T127-Q130 WeakPolarHBondContact O-CB 3.25Å; T127-Q130 PolarHBondContact O-N 3.41Å; T127-Q130 VanDerWaalsContact O-N 3.16Å; T127-Q130 VanDerWaalsContact OG1-CG 3.29Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.33Å; T127-Q130 PolarHBondContact OG1-N 2.9Å; T127-Q130 PolarHBondContact OG1-OE1 3.37Å; T127-L131 WeakPolarHBondContact O-CG 3.42Å; T127-L131 PolarHBondContact O-N 2.9Å
128Q97.5Very high92Very high155 Ų155102.9 Ų102.972%0.72449%0.494SS*.Hα-helixtrans-62.4-36.1178.1-62.1-65.329.800112.5L131 F132Q128-L131 PolarHBondContact O-N 3.25Å; Q128-F132 WeakPolarHBondContact O-CB 3.32Å; Q128-F132 PolarHBondContact O-N 3.24Å
129S97.4Very high93.1Very high70 Ų7099.4 Ų99.449%0.4946%0.462SS..Hα-helixtrans-60.2-48.9173.3-1780000110.9T127 L131 F132 Y133T127-S129 VanDerWaalsContact C-N 3.26Å; T127-S129 PolarHBondContact O-N 3.37Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.2Å; S129-F132 WeakPolarHBondContact O-CB 3.18Å; S129-F132 PolarHBondContact O-N 3.04Å; S129-Y133 WeakPolarHBondContact O-CD2 3.3Å; S129-Y133 PolarHBondContact O-N 2.89Å; S129-Y133 VanDerWaalsContact O-N 3.07Å
130Q97.8Very high93.8Very high31 Ų3192.2 Ų92.215%0.14544%0.44CS..Hα-helixtrans-57.9-45.7176.6-73.5169.8-25.300111.8F126 T127 F132 Y133 L134 L156F126-Q130 HydrophobicContact CB-CB 4.19Å; T127-Q130 WeakPolarHBondContact O-CB 3.25Å; T127-Q130 PolarHBondContact O-N 3.41Å; T127-Q130 VanDerWaalsContact O-N 3.16Å; T127-Q130 VanDerWaalsContact OG1-CG 3.29Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.33Å; T127-Q130 PolarHBondContact OG1-N 2.9Å; T127-Q130 PolarHBondContact OG1-OE1 3.37Å; Q130-F132 PolarHBondContact O-N 3.48Å; Q130-Y133 PolarHBondContact O-N 3.38Å; Q130-L134 VanDerWaalsContact O-CB 3.32Å; Q130-L134 WeakPolarHBondContact O-CB 3.13Å; Q130-L134 WeakPolarHBondContact O-CD1 3.18Å; Q130-L134 WeakPolarHBondContact O-CG 3.47Å; Q130-L134 PolarHBondContact O-N 3.19Å; Q130-L156 HydrophobicContact CG-CB 4.42Å; Q130-L156 HydrophobicContact CG-CD2 4.5Å; Q130-L156 PolarHBondContact NE2-O 3.36Å
131L97.9Very high94.3Very high60 Ų6086 Ų8631%0.31442%0.419SS..Hα-helixtrans-62.8-40.2178.2-69.3174000112.6F126 T127 Q128 S129 L134 E135F126-L131 HydrophobicContact CB-CD2 3.93Å; F126-L131 HydrophobicContact CB-CG 3.95Å; F126-L131 HydrophobicContact CD2-CD2 4.02Å; F126-L131 HydrophobicContact CG-CD2 4.49Å; T127-L131 WeakPolarHBondContact O-CG 3.42Å; T127-L131 PolarHBondContact O-N 2.9Å; Q128-L131 PolarHBondContact O-N 3.25Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.2Å; L131-L134 PolarHBondContact O-N 3.37Å; L131-E135 WeakPolarHBondContact O-CB 3.3Å; L131-E135 PolarHBondContact O-N 3.19Å
132F96.6Very high94.9Very high127 Ų12779.4 Ų79.456%0.55739%0.394SS*.Hα-helixtrans-60.1-51.4176.7174.9-95.5000111.5Q128 S129 Q130 E135 Q136Q128-F132 WeakPolarHBondContact O-CB 3.32Å; Q128-F132 PolarHBondContact O-N 3.24Å; S129-F132 WeakPolarHBondContact O-CB 3.18Å; S129-F132 PolarHBondContact O-N 3.04Å; Q130-F132 PolarHBondContact O-N 3.48Å; F132-E135 PolarHBondContact O-N 3.34Å; F132-Q136 WeakPolarHBondContact O-CB 3.48Å; F132-Q136 PolarHBondContact O-N 3.47Å
133Y96.9Very high95.4Very high106 Ų10677.4 Ų77.442%0.41638%0.382SS..Hα-helixtrans-65.5-39.8179-76.1-71.6000112.7S129 Q130 E135 Q136 S137 L156S129-Y133 WeakPolarHBondContact O-CD2 3.3Å; S129-Y133 PolarHBondContact O-N 2.89Å; S129-Y133 VanDerWaalsContact O-N 3.07Å; Q130-Y133 PolarHBondContact O-N 3.38Å; Y133-E135 VanDerWaalsContact C-N 3.34Å; Y133-E135 PolarHBondContact O-N 3.45Å; Y133-Q136 PolarHBondContact O-N 3.07Å; Y133-S137 VanDerWaalsContact O-CB 3.27Å; Y133-S137 WeakPolarHBondContact O-CB 3.43Å; Y133-S137 PolarHBondContact O-N 3.16Å; Y133-L156 HydrophobicContact CD2-CD2 4.21Å; Y133-L156 HydrophobicContact CG-CD2 4.23Å
134L97.9Very high95.8Very high0 Ų067 Ų670%035%0.345CS..Hα-helixtrans-59.8-44.5174.9-76167.4000111.6F126 Q130 L131 F138 L152 L156 I163 W166 Y167F126-L134 HydrophobicContact CD2-CD1 4.2Å; Q130-L134 VanDerWaalsContact O-CB 3.32Å; Q130-L134 WeakPolarHBondContact O-CB 3.13Å; Q130-L134 WeakPolarHBondContact O-CD1 3.18Å; Q130-L134 WeakPolarHBondContact O-CG 3.47Å; Q130-L134 PolarHBondContact O-N 3.19Å; L131-L134 PolarHBondContact O-N 3.37Å; L134-F138 VanDerWaalsContact O-CB 3.3Å; L134-F138 WeakPolarHBondContact O-CB 2.92Å; L134-F138 PolarHBondContact O-N 3.46Å; L134-L152 HydrophobicContact CD2-CD2 4.03Å; L134-L156 HydrophobicContact CD1-CD1 4.42Å; L134-L156 HydrophobicContact CD2-CD1 3.76Å; L134-L156 HydrophobicContact CG-CD1 3.68Å; L134-I163 HydrophobicContact CD2-CD1 3.75Å; L134-W166 VanDerWaalsContact C-CH2 3.43Å; L134-W166 HydrophobicContact CB-CD2 4.01Å; L134-W166 HydrophobicContact CB-CE3 3.99Å; L134-W166 HydrophobicContact CB-CH2 3.61Å; L134-W166 HydrophobicContact CB-CZ2 3.59Å; L134-W166 HydrophobicContact CB-CZ3 3.8Å; L134-W166 HydrophobicContact CD1-CD2 3.89Å; L134-W166 HydrophobicContact CD1-CE3 4.48Å; L134-W166 HydrophobicContact CD1-CG 3.96Å; L134-W166 HydrophobicContact CD2-CD2 4.16Å; L134-W166 HydrophobicContact CD2-CE3 3.95Å; L134-W166 HydrophobicContact CD2-CZ3 4.38Å; L134-W166 HydrophobicContact CG-CD2 4.25Å; L134-W166 HydrophobicContact CG-CE3 4.37Å; L134-W166 WeakPolarHBondContact O-CH2 3.44Å; L134-W166 WeakPolarHBondContact O-CZ3 3.48Å; L134-Y167 HydrophobicContact CD2-CE2 4.23Å
135E97.3Very high96Very high56 Ų5665.8 Ų65.826%0.26234%0.335SS..Hα-helixtrans-67.9-44.1177.8-166.865.7-158.200111.4L131 F132 Y133 S137 F138 L139 R170L131-E135 WeakPolarHBondContact O-CB 3.3Å; L131-E135 PolarHBondContact O-N 3.19Å; F132-E135 PolarHBondContact O-N 3.34Å; Y133-E135 VanDerWaalsContact C-N 3.34Å; Y133-E135 PolarHBondContact O-N 3.45Å; E135-S137 VanDerWaalsContact C-N 3.32Å; E135-S137 PolarHBondContact O-N 2.87Å; E135-F138 WeakPolarHBondContact O-CB 3.44Å; E135-F138 PolarHBondContact O-N 3.48Å; E135-F138 VanDerWaalsContact O-N 3.11Å; E135-L139 WeakPolarHBondContact O-CG 3.44Å; E135-L139 PolarHBondContact O-N 2.95Å; E135-R170 VanDerWaalsContact CD-NE 3.32Å; E135-R170 IonicContact OE1-CZ 3.26Å; E135-R170 VanDerWaalsContact OE1-CZ 3.26Å; E135-R170 IonicContact OE1-NE 2.99Å; E135-R170 PolarHBondContact OE1-NE 2.73Å; E135-R170 IonicContact OE1-NH2 2.69Å; E135-R170 PolarHBondContact OE1-NH2 2.85Å; E135-R170 WeakPolarHBondContact OE2-CD 3.43Å; E135-R170 IonicContact OE2-CZ 3.78Å; E135-R170 IonicContact OE2-NE 2.8Å; E135-R170 PolarHBondContact OE2-NE 3.22Å; E135-R170 IonicContact OE2-NH2 3.91Å
136Q95.3Very high96.1Very high63 Ų6365.8 Ų65.829%0.29432%0.324SS..Hα-helixtrans-57-47.1176.5-174.965.687.600111.2F132 Y133 L139 C140F132-Q136 WeakPolarHBondContact O-CB 3.48Å; F132-Q136 PolarHBondContact O-N 3.47Å; Y133-Q136 PolarHBondContact O-N 3.07Å; Q136-L139 PolarHBondContact O-N 2.69Å; Q136-C140 PolarHBondContact O-N 2.76Å; Q136-C140 PolarHBondContact O-SG 3.04Å
137S95Very high96Very high30 Ų3069.6 Ų69.621%0.2135%0.346CS..Hα-helixtrans-64.4-37.4175.6-179.10000112.1Y133 E135 C140 Q141 Y167Y133-S137 VanDerWaalsContact O-CB 3.27Å; Y133-S137 WeakPolarHBondContact O-CB 3.43Å; Y133-S137 PolarHBondContact O-N 3.16Å; E135-S137 VanDerWaalsContact C-N 3.32Å; E135-S137 PolarHBondContact O-N 2.87Å; S137-C140 VanDerWaalsContact O-CB 3.26Å; S137-C140 WeakPolarHBondContact O-CB 3.32Å; S137-C140 PolarHBondContact O-N 3.11Å; S137-Q141 PolarHBondContact O-N 2.98Å; S137-Y167 WeakPolarHBondContact CB-OH 3.34Å; S137-Y167 PolarHBondContact OG-OH 2.82Å
138F95.9Very high96Very high1 Ų168.2 Ų68.20%0.00433%0.334CS..Hα-helixtrans-67.5-36.7177.4-177.6-96.6000113.7L134 E135 C140 Q141 R142 W166 Y167 R170 R171 W174L134-F138 VanDerWaalsContact O-CB 3.3Å; L134-F138 WeakPolarHBondContact O-CB 2.92Å; L134-F138 PolarHBondContact O-N 3.46Å; E135-F138 WeakPolarHBondContact O-CB 3.44Å; E135-F138 PolarHBondContact O-N 3.48Å; E135-F138 VanDerWaalsContact O-N 3.11Å; F138-C140 VanDerWaalsContact C-N 3.28Å; F138-Q141 CarbonylContact O-C 3.31Å; F138-Q141 VanDerWaalsContact O-C 3.31Å; F138-Q141 PolarHBondContact O-N 2.96Å; F138-R142 HydrophobicContact CE1-CG 4.22Å; F138-R142 HydrophobicContact CE2-CB 4.05Å; F138-R142 HydrophobicContact CE2-CG 4.22Å; F138-R142 HydrophobicContact CZ-CB 4.2Å; F138-R142 HydrophobicContact CZ-CG 3.95Å; F138-W166 HydrophobicContact CB-CH2 4.03Å; F138-W166 HydrophobicContact CB-CZ3 3.98Å; F138-W166 HydrophobicContact CD2-CZ3 4.35Å; F138-W166 HydrophobicContact CG-CH2 4.5Å; F138-W166 HydrophobicContact CG-CZ3 4.38Å; F138-Y167 HydrophobicContact CB-CE1 4.33Å; F138-Y167 AromaticContact CD2-CD1 3.86Å; F138-Y167 HydrophobicContact CD2-CD1 3.86Å; F138-Y167 AromaticContact CD2-CE1 3.74Å; F138-Y167 HydrophobicContact CD2-CE1 3.74Å; F138-Y167 HydrophobicContact CE2-CD1 4.42Å; F138-Y167 PolarHBondContact N-OH 2.9Å; F138-R170 HydrophobicContact CD1-CG 3.71Å; F138-R170 HydrophobicContact CD2-CB 4.25Å; F138-R170 HydrophobicContact CD2-CG 3.63Å; F138-R170 HydrophobicContact CE1-CG 3.73Å; F138-R170 HydrophobicContact CE2-CB 4.14Å; F138-R170 HydrophobicContact CE2-CG 3.66Å; F138-R170 HydrophobicContact CG-CG 3.67Å; F138-R170 HydrophobicContact CZ-CB 4.49Å; F138-R170 HydrophobicContact CZ-CG 3.71Å; F138-R171 HydrophobicContact CE2-CG 3.75Å; F138-R171 HydrophobicContact CZ-CG 4.13Å; F138-W174 HydrophobicContact CE1-CB 4.4Å; F138-W174 HydrophobicContact CE1-CG 4.47Å; F138-W174 HydrophobicContact CZ-CB 4.26Å; F138-W174 HydrophobicContact CZ-CG 4.49Å
139L92.8Very high96Very high19 Ų1963.7 Ų63.710%0.09931%0.31CS..Hα-helixtrans-66.9-33.8175.9-68.5178.2000112.3E135 Q136 N197 I200 T201E135-L139 WeakPolarHBondContact O-CG 3.44Å; E135-L139 PolarHBondContact O-N 2.95Å; Q136-L139 PolarHBondContact O-N 2.69Å; L139-N197 HydrophobicContact CD2-CB 4.33Å; L139-N197 WeakPolarHBondContact CD2-OD1 3.48Å; L139-I200 HydrophobicContact CB-CG2 3.84Å; L139-I200 HydrophobicContact CD1-CG2 4.44Å; L139-T201 PolarHBondContact O-OG1 3.2Å
140C92.4Very high96Very high43 Ų4361.7 Ų61.729%0.29130%0.299SS..Hα-helixtrans-66.3-54.2170.5-72.10000110.6Q136 S137 F138 C204Q136-C140 PolarHBondContact O-N 2.76Å; Q136-C140 PolarHBondContact O-SG 3.04Å; S137-C140 VanDerWaalsContact O-CB 3.26Å; S137-C140 WeakPolarHBondContact O-CB 3.32Å; S137-C140 PolarHBondContact O-N 3.11Å; F138-C140 VanDerWaalsContact C-N 3.28Å; C140-C204 WeakPolarHBondContact CA-SG 3.43Å; C140-C204 HydrophobicContact CB-CB 3.71Å; C140-C204 WeakPolarHBondContact CB-SG 3.16Å; C140-C204 WeakPolarHBondContact SG-CB 3.4Å; C140-C204 VanDerWaalsContact SG-SG 3.68Å
141Q92.3Very high96Very high58 Ų5866.5 Ų66.527%0.27132%0.321SS..  trans-146118.4-173.9-178.1168.1-1900112.2S137 F138 Y143 L144 E148 Y167S137-Q141 PolarHBondContact O-N 2.98Å; F138-Q141 CarbonylContact O-C 3.31Å; F138-Q141 VanDerWaalsContact O-C 3.31Å; F138-Q141 PolarHBondContact O-N 2.96Å; Q141-Y143 VanDerWaalsContact C-N 3.31Å; Q141-Y143 VanDerWaalsContact CG-O 3.24Å; Q141-Y143 WeakPolarHBondContact CG-O 3.21Å; Q141-Y143 PolarHBondContact NE2-O 2.96Å; Q141-Y143 PolarHBondContact O-N 3.32Å; Q141-L144 HydrophobicContact CG-CD2 4.5Å; Q141-E148 PolarHBondContact NE2-OE1 3.13Å; Q141-E148 PolarHBondContact NE2-OE2 3.19Å; Q141-E148 PolarHBondContact OE1-OE1 2.7Å; Q141-E148 VanDerWaalsContact OE1-OE1 3.11Å; Q141-Y167 WeakPolarHBondContact O-CE1 3.45Å
142R94.4Very high96Very high86 Ų8664.6 Ų64.633%0.32531%0.311SS..SBendtrans-78-14.4-175.3-62.8-178.1176.7122.81.3114.3F138 R171F138-R142 HydrophobicContact CE1-CG 4.22Å; F138-R142 HydrophobicContact CE2-CB 4.05Å; F138-R142 HydrophobicContact CE2-CG 4.22Å; F138-R142 HydrophobicContact CZ-CB 4.2Å; F138-R142 HydrophobicContact CZ-CG 3.95Å; R142-R171 WeakPolarHBondContact O-CD 3.22Å; R142-R171 PolarHBondContact O-NH1 2.9Å
143Y97.5Very high96.1Very high156 Ų15658.9 Ų58.961%0.61229%0.287SS*.SBendtrans-136.9108.7-176.8-66.5-92.6000109.5Q141Q141-Y143 VanDerWaalsContact C-N 3.31Å; Q141-Y143 VanDerWaalsContact CG-O 3.24Å; Q141-Y143 WeakPolarHBondContact CG-O 3.21Å; Q141-Y143 PolarHBondContact NE2-O 2.96Å; Q141-Y143 PolarHBondContact O-N 3.32Å
144L95.4Very high96.1Very high23 Ų2360.6 Ų60.612%0.1230%0.302CS..  trans-81135.8175.5-58.6-178.8000111.3Q141 E148 R149 L152 I163 Y167Q141-L144 HydrophobicContact CG-CD2 4.5Å; L144-E148 WeakPolarHBondContact CA-OE2 3.12Å; L144-E148 HydrophobicContact CB-CB 4.29Å; L144-E148 HydrophobicContact CD2-CB 4.1Å; L144-R149 HydrophobicContact CB-CB 4.4Å; L144-L152 HydrophobicContact CD1-CD2 3.71Å; L144-I163 HydrophobicContact CD1-CG2 3.84Å; L144-Y167 HydrophobicContact CD1-CD1 4.42Å; L144-Y167 HydrophobicContact CD1-CD2 3.84Å; L144-Y167 HydrophobicContact CD1-CE1 3.96Å; L144-Y167 HydrophobicContact CD1-CE2 3.33Å; L144-Y167 HydrophobicContact CD1-CG 4.36Å; L144-Y167 HydrophobicContact CD2-CE1 4.02Å; L144-Y167 HydrophobicContact CG-CD1 4.07Å; L144-Y167 HydrophobicContact CG-CD2 4.38Å; L144-Y167 HydrophobicContact CG-CE1 3.57Å; L144-Y167 HydrophobicContact CG-CE2 3.93Å; L144-Y167 HydrophobicContact CG-CG 4.45Å; L144-Y167 VanDerWaalsContact CG-CZ 3.49Å
145N95.8Very high96.1Very high76 Ų7666.7 Ų66.741%0.40633%0.33SS..  trans-72.2-178.9164.573.842.7000110.7L147 E148 R149N145-L147 PolarHBondContact OD1-N 3.44Å; N145-E148 PolarHBondContact N-OE2 3.24Å; N145-E148 PolarHBondContact ND2-OE1 3.43Å; N145-E148 PolarHBondContact ND2-OE2 2.94Å; N145-E148 WeakPolarHBondContact OD1-CG 3.44Å; N145-E148 PolarHBondContact OD1-N 3.23Å; N145-R149 VanDerWaalsContact O-CB 3.31Å; N145-R149 WeakPolarHBondContact O-CB 3.23Å; N145-R149 PolarHBondContact O-N 2.88Å
146V96.3Very high96.1Very high96 Ų9664.9 Ų64.958%0.58232%0.322SS*.Hα-helixtrans-67.3-43.6-175.9-179.80000111.6R149 A150V146-R149 PolarHBondContact O-N 3.34Å; V146-A150 PolarHBondContact O-N 3.12Å; V146-A150 VanDerWaalsContact O-N 3.12Å
147L96.9Very high96.2Very high128 Ų12865 Ų6567%0.6734%0.341SS*.Hα-helixtrans-67.4-49.4-177.9-61.8178.4000111.6N145 R149 A150 E151N145-L147 PolarHBondContact OD1-N 3.44Å; L147-R149 PolarHBondContact O-N 3.26Å; L147-A150 WeakPolarHBondContact O-CB 3.36Å; L147-A150 PolarHBondContact O-N 2.94Å; L147-E151 WeakPolarHBondContact O-CG 3.25Å; L147-E151 PolarHBondContact O-N 3.32Å
148E96.1Very high96.4Very high49 Ų4964.6 Ų64.623%0.22934%0.336CS..Hα-helixtrans-60.6-34178.8-65.4158.9170.500111.8Q141 L144 N145 L152Q141-E148 PolarHBondContact NE2-OE1 3.13Å; Q141-E148 PolarHBondContact NE2-OE2 3.19Å; Q141-E148 PolarHBondContact OE1-OE1 2.7Å; Q141-E148 VanDerWaalsContact OE1-OE1 3.11Å; L144-E148 WeakPolarHBondContact CA-OE2 3.12Å; L144-E148 HydrophobicContact CB-CB 4.29Å; L144-E148 HydrophobicContact CD2-CB 4.1Å; N145-E148 PolarHBondContact N-OE2 3.24Å; N145-E148 PolarHBondContact ND2-OE1 3.43Å; N145-E148 PolarHBondContact ND2-OE2 2.94Å; N145-E148 WeakPolarHBondContact OD1-CG 3.44Å; N145-E148 PolarHBondContact OD1-N 3.23Å; E148-L152 VanDerWaalsContact O-CB 3.25Å; E148-L152 WeakPolarHBondContact O-CB 3.39Å; E148-L152 PolarHBondContact O-N 2.95Å
149R97.8Very high96.4Very high59 Ų5967.4 Ų67.422%0.22336%0.356CS..Hα-helixtrans-67.3-44.3175.6-172.6-167.8-53.4145.38.6111.4L144 N145 V146 L147 A153 E160 I163L144-R149 HydrophobicContact CB-CB 4.4Å; N145-R149 VanDerWaalsContact O-CB 3.31Å; N145-R149 WeakPolarHBondContact O-CB 3.23Å; N145-R149 PolarHBondContact O-N 2.88Å; V146-R149 PolarHBondContact O-N 3.34Å; L147-R149 PolarHBondContact O-N 3.26Å; R149-A153 VanDerWaalsContact O-CB 3.23Å; R149-A153 WeakPolarHBondContact O-CB 3.35Å; R149-A153 PolarHBondContact O-N 2.95Å; R149-E160 HydrophobicContact CG-CB 4.18Å; R149-E160 HydrophobicContact CG-CG 4.21Å; R149-I163 HydrophobicContact CG-CB 4.19Å; R149-I163 HydrophobicContact CG-CG2 3.96Å
150A97.9Very high96.7Very high29 Ų2970.6 Ų70.624%0.2437%0.37CS..Hα-helixtrans-64.1-44.3177.900000111.1V146 L147 L152 A153 I154V146-A150 PolarHBondContact O-N 3.12Å; V146-A150 VanDerWaalsContact O-N 3.12Å; L147-A150 WeakPolarHBondContact O-CB 3.36Å; L147-A150 PolarHBondContact O-N 2.94Å; A150-L152 PolarHBondContact O-N 3.44Å; A150-A153 WeakPolarHBondContact O-CB 3.49Å; A150-A153 PolarHBondContact O-N 3.4Å; A150-I154 WeakPolarHBondContact O-CG1 3.4Å; A150-I154 PolarHBondContact O-N 3.11Å
151E97.8Very high96.9Very high131 Ų13170.2 Ų70.261%0.61237%0.374SS*.Hα-helixtrans-60.2-47.2176.1-71.4175.3178.400112L147 A153 I154 H155L147-E151 WeakPolarHBondContact O-CG 3.25Å; L147-E151 PolarHBondContact O-N 3.32Å; E151-A153 VanDerWaalsContact C-N 3.32Å; E151-A153 PolarHBondContact O-N 3.27Å; E151-I154 PolarHBondContact O-N 3.32Å; E151-H155 WeakPolarHBondContact O-CB 3.47Å; E151-H155 PolarHBondContact O-N 2.95Å
152L97.8Very high97.2Very high21 Ų2170 Ų7011%0.1137%0.373CS..Hα-helixtrans-67-35.1179.8-170.661.4000112.3L134 L144 E148 A150 H155 L156 I163 Y167L134-L152 HydrophobicContact CD2-CD2 4.03Å; L144-L152 HydrophobicContact CD1-CD2 3.71Å; E148-L152 VanDerWaalsContact O-CB 3.25Å; E148-L152 WeakPolarHBondContact O-CB 3.39Å; E148-L152 PolarHBondContact O-N 2.95Å; A150-L152 PolarHBondContact O-N 3.44Å; L152-H155 PolarHBondContact O-N 3.48Å; L152-L156 HydrophobicContact CD1-CD1 3.8Å; L152-L156 HydrophobicContact CD1-CG 4.07Å; L152-L156 HydrophobicContact CG-CD1 3.98Å; L152-L156 HydrophobicContact CG-CG 4.48Å; L152-L156 WeakPolarHBondContact O-CB 3.39Å; L152-L156 WeakPolarHBondContact O-CG 3.17Å; L152-L156 PolarHBondContact O-N 2.94Å; L152-I163 HydrophobicContact CD2-CD1 4.44Å; L152-I163 HydrophobicContact CD2-CG2 3.99Å; L152-I163 HydrophobicContact CG-CD1 4.23Å; L152-Y167 HydrophobicContact CD2-CE2 3.85Å
153A98.2Very high97.4Very high6 Ų666 Ų665%0.0536%0.358CS..Hα-helixtrans-61.3-49.4174.800000111.1R149 A150 E151 L156 G157 L158 E160 I163R149-A153 VanDerWaalsContact O-CB 3.23Å; R149-A153 WeakPolarHBondContact O-CB 3.35Å; R149-A153 PolarHBondContact O-N 2.95Å; A150-A153 WeakPolarHBondContact O-CB 3.49Å; A150-A153 PolarHBondContact O-N 3.4Å; E151-A153 VanDerWaalsContact C-N 3.32Å; E151-A153 PolarHBondContact O-N 3.27Å; A153-L156 PolarHBondContact O-N 3.48Å; A153-G157 PolarHBondContact O-N 3.39Å; A153-G157 VanDerWaalsContact O-N 3.07Å; A153-L158 CarbonylContact C-O 3.36Å; A153-L158 WeakPolarHBondContact CA-O 3.42Å; A153-L158 VanDerWaalsContact CB-O 3.24Å; A153-L158 WeakPolarHBondContact CB-O 3.31Å; A153-L158 PolarHBondContact O-N 2.9Å; A153-E160 HydrophobicContact CB-CG 3.94Å; A153-I163 HydrophobicContact CB-CG1 4.08Å
154I98Very high97.4Very high143 Ų14364.4 Ų64.473%0.73335%0.354SS*.Hα-helixtrans-60.4-48.7176.3-66.6165.1000110.4A150 E151 L156 G157A150-I154 WeakPolarHBondContact O-CG1 3.4Å; A150-I154 PolarHBondContact O-N 3.11Å; E151-I154 PolarHBondContact O-N 3.32Å; I154-L156 VanDerWaalsContact C-N 3.3Å; I154-L156 PolarHBondContact O-N 2.91Å; I154-G157 PolarHBondContact O-N 3.41Å
155H97.5Very high97.5Very high128 Ų12866.9 Ų66.959%0.59337%0.37SS*.Hα-helixtrans-60.9-37.3-176.6-172.576.3000113.2E151 L152E151-H155 WeakPolarHBondContact O-CB 3.47Å; E151-H155 PolarHBondContact O-N 2.95Å; L152-H155 PolarHBondContact O-N 3.48Å
156L97.5Very high97.6Very high17 Ų1764.9 Ų64.99%0.08936%0.357CS..Hα-helixtrans-95-3.4-177-62.8-178.1000114.4Q130 Y133 L134 L152 A153 I154 L158 I163Q130-L156 HydrophobicContact CG-CB 4.42Å; Q130-L156 HydrophobicContact CG-CD2 4.5Å; Q130-L156 PolarHBondContact NE2-O 3.36Å; Y133-L156 HydrophobicContact CD2-CD2 4.21Å; Y133-L156 HydrophobicContact CG-CD2 4.23Å; L134-L156 HydrophobicContact CD1-CD1 4.42Å; L134-L156 HydrophobicContact CD2-CD1 3.76Å; L134-L156 HydrophobicContact CG-CD1 3.68Å; L152-L156 HydrophobicContact CD1-CD1 3.8Å; L152-L156 HydrophobicContact CD1-CG 4.07Å; L152-L156 HydrophobicContact CG-CD1 3.98Å; L152-L156 HydrophobicContact CG-CG 4.48Å; L152-L156 WeakPolarHBondContact O-CB 3.39Å; L152-L156 WeakPolarHBondContact O-CG 3.17Å; L152-L156 PolarHBondContact O-N 2.94Å; A153-L156 PolarHBondContact O-N 3.48Å; I154-L156 VanDerWaalsContact C-N 3.3Å; I154-L156 PolarHBondContact O-N 2.91Å; L156-L158 VanDerWaalsContact C-N 3.27Å; L156-L158 HydrophobicContact CB-CB 4.48Å; L156-L158 HydrophobicContact CB-CD1 4.02Å; L156-L158 HydrophobicContact CB-CG 4.02Å; L156-L158 HydrophobicContact CD1-CD1 4.32Å; L156-L158 PolarHBondContact O-N 2.97Å; L156-I163 HydrophobicContact CD1-CD1 4.15Å
157G97.7Very high97.7Very high67 Ų6760.6 Ų60.669%0.69133%0.33SS*.THydrogen-bonded Turntrans61.537.1-172.600000112.4A153 I154A153-G157 PolarHBondContact O-N 3.39Å; A153-G157 VanDerWaalsContact O-N 3.07Å; I154-G157 PolarHBondContact O-N 3.41Å
158L97.8Very high97.8Very high21 Ų2159.1 Ų59.111%0.1132%0.32CS..  trans-117.8158.5179.1-64.4178.3000109.5F126 A153 L156 Q162 I163F126-L158 HydrophobicContact CD1-CD1 4.09Å; F126-L158 HydrophobicContact CD1-CD2 3.95Å; F126-L158 HydrophobicContact CE1-CD1 3.97Å; F126-L158 HydrophobicContact CE1-CD2 3.8Å; F126-L158 HydrophobicContact CZ-CD1 4.45Å; A153-L158 CarbonylContact C-O 3.36Å; A153-L158 WeakPolarHBondContact CA-O 3.42Å; A153-L158 VanDerWaalsContact CB-O 3.24Å; A153-L158 WeakPolarHBondContact CB-O 3.31Å; A153-L158 PolarHBondContact O-N 2.9Å; L156-L158 VanDerWaalsContact C-N 3.27Å; L156-L158 HydrophobicContact CB-CB 4.48Å; L156-L158 HydrophobicContact CB-CD1 4.02Å; L156-L158 HydrophobicContact CB-CG 4.02Å; L156-L158 HydrophobicContact CD1-CD1 4.32Å; L156-L158 PolarHBondContact O-N 2.97Å; L158-Q162 HydrophobicContact CB-CB 4.46Å; L158-I163 HydrophobicContact CB-CD1 4Å; L158-I163 HydrophobicContact CB-CG1 4.37Å; L158-I163 HydrophobicContact CD1-CD1 3.81Å
159S97.8Very high97.8Very high59 Ų5961.6 Ų61.641%0.41334%0.335SS..  trans-76.6150.3170.660.90000111.6G161 Q162 I163S159-G161 PolarHBondContact O-N 2.85Å; S159-G161 VanDerWaalsContact O-N 3.13Å; S159-Q162 WeakPolarHBondContact O-CB 3.29Å; S159-Q162 PolarHBondContact O-N 3.38Å; S159-Q162 VanDerWaalsContact OG-CG 3.24Å; S159-Q162 WeakPolarHBondContact OG-CG 3.28Å; S159-Q162 PolarHBondContact OG-N 2.91Å; S159-Q162 PolarHBondContact OG-OE1 3.07Å; S159-I163 PolarHBondContact O-N 3.4Å; S159-I163 VanDerWaalsContact O-N 3.07Å
160E98.2Very high97.8Very high86 Ų8660.3 Ų60.340%0.40233%0.33SS..Hα-helixtrans-53.7-34.3171.9-73.1-174.1-118.400112.7R149 A153 I163 K164R149-E160 HydrophobicContact CG-CB 4.18Å; R149-E160 HydrophobicContact CG-CG 4.21Å; A153-E160 HydrophobicContact CB-CG 3.94Å; E160-I163 PolarHBondContact O-N 2.87Å; E160-K164 VanDerWaalsContact O-CB 3.26Å; E160-K164 WeakPolarHBondContact O-CB 3.36Å; E160-K164 PolarHBondContact O-N 2.77Å
161G97Very high97.8Very high36 Ų3660.9 Ų60.937%0.37133%0.326SS..Hα-helixtrans-63-39.617500000113.1S159 T165S159-G161 PolarHBondContact O-N 2.85Å; S159-G161 VanDerWaalsContact O-N 3.13Å; G161-T165 WeakPolarHBondContact O-CB 3.27Å; G161-T165 PolarHBondContact O-N 2.78Å; G161-T165 PolarHBondContact O-OG1 2.92Å
162Q97.6Very high97.7Very high54 Ų5456.7 Ų56.725%0.25231%0.309SS..Hα-helixtrans-67.8-44.6175-75.4166.4-62.800111.2F126 L158 S159 T165 W166F126-Q162 HydrophobicContact CE1-CB 4.39Å; F126-Q162 HydrophobicContact CZ-CB 4.15Å; L158-Q162 HydrophobicContact CB-CB 4.46Å; S159-Q162 WeakPolarHBondContact O-CB 3.29Å; S159-Q162 PolarHBondContact O-N 3.38Å; S159-Q162 VanDerWaalsContact OG-CG 3.24Å; S159-Q162 WeakPolarHBondContact OG-CG 3.28Å; S159-Q162 PolarHBondContact OG-N 2.91Å; S159-Q162 PolarHBondContact OG-OE1 3.07Å; Q162-T165 PolarHBondContact O-N 3.24Å; Q162-W166 WeakPolarHBondContact O-CB 3.29Å; Q162-W166 PolarHBondContact O-N 3.34Å
163I98.3Very high97.6Very high1 Ų161.6 Ų61.61%0.00533%0.33CS..Hα-helixtrans-59-49.9175.1-58.6-60.4000110.2L134 L144 R149 L152 A153 L156 L158 S159 E160 T165 W166 Y167L134-I163 HydrophobicContact CD2-CD1 3.75Å; L144-I163 HydrophobicContact CD1-CG2 3.84Å; R149-I163 HydrophobicContact CG-CB 4.19Å; R149-I163 HydrophobicContact CG-CG2 3.96Å; L152-I163 HydrophobicContact CD2-CD1 4.44Å; L152-I163 HydrophobicContact CD2-CG2 3.99Å; L152-I163 HydrophobicContact CG-CD1 4.23Å; A153-I163 HydrophobicContact CB-CG1 4.08Å; L156-I163 HydrophobicContact CD1-CD1 4.15Å; L158-I163 HydrophobicContact CB-CD1 4Å; L158-I163 HydrophobicContact CB-CG1 4.37Å; L158-I163 HydrophobicContact CD1-CD1 3.81Å; S159-I163 PolarHBondContact O-N 3.4Å; S159-I163 VanDerWaalsContact O-N 3.07Å; E160-I163 PolarHBondContact O-N 2.87Å; I163-T165 VanDerWaalsContact C-N 3.32Å; I163-T165 PolarHBondContact O-N 3.31Å; I163-W166 PolarHBondContact O-N 2.78Å; I163-Y167 HydrophobicContact CG2-CD2 3.85Å; I163-Y167 HydrophobicContact CG2-CE2 4.04Å; I163-Y167 WeakPolarHBondContact O-CD2 3.18Å; I163-Y167 PolarHBondContact O-N 2.83Å
164K97.5Very high97.5Very high123 Ų12364.6 Ų64.654%0.53534%0.34SS..Hα-helixtrans-54.5-48.1177.2-175.7-178.875178.90111.7E160 Y167 Q168E160-K164 VanDerWaalsContact O-CB 3.26Å; E160-K164 WeakPolarHBondContact O-CB 3.36Å; E160-K164 PolarHBondContact O-N 2.77Å; K164-Y167 PolarHBondContact O-N 3.44Å; K164-Q168 WeakPolarHBondContact O-CB 3.26Å; K164-Q168 PolarHBondContact O-N 3.05Å
165T97.7Very high97.2Very high75 Ų7564.1 Ų64.146%0.4633%0.332SS..Hα-helixtrans-65.9-43-179-57.60000111.4G161 Q162 I163 Q168 N169G161-T165 WeakPolarHBondContact O-CB 3.27Å; G161-T165 PolarHBondContact O-N 2.78Å; G161-T165 PolarHBondContact O-OG1 2.92Å; Q162-T165 PolarHBondContact O-N 3.24Å; I163-T165 VanDerWaalsContact C-N 3.32Å; I163-T165 PolarHBondContact O-N 3.31Å; T165-Q168 PolarHBondContact O-N 2.76Å; T165-N169 WeakPolarHBondContact O-CB 3.39Å; T165-N169 VanDerWaalsContact O-CG 3.27Å; T165-N169 PolarHBondContact O-N 2.98Å; T165-N169 PolarHBondContact O-ND2 3.11Å
166W98.3Very high96.8Very high34 Ų3466.4 Ų66.413%0.12934%0.336CS..Hα-helixtrans-61.9-46.7176.9-174.692.2000111.4F126 L134 F138 Q162 I163 Q168 N169 R170F126-W166 AromaticContact CD2-CD1 3.76Å; F126-W166 HydrophobicContact CE2-CB 4.07Å; F126-W166 AromaticContact CE2-CD1 3.53Å; F126-W166 HydrophobicContact CE2-CG 4.08Å; L134-W166 VanDerWaalsContact C-CH2 3.43Å; L134-W166 HydrophobicContact CB-CD2 4.01Å; L134-W166 HydrophobicContact CB-CE3 3.99Å; L134-W166 HydrophobicContact CB-CH2 3.61Å; L134-W166 HydrophobicContact CB-CZ2 3.59Å; L134-W166 HydrophobicContact CB-CZ3 3.8Å; L134-W166 HydrophobicContact CD1-CD2 3.89Å; L134-W166 HydrophobicContact CD1-CE3 4.48Å; L134-W166 HydrophobicContact CD1-CG 3.96Å; L134-W166 HydrophobicContact CD2-CD2 4.16Å; L134-W166 HydrophobicContact CD2-CE3 3.95Å; L134-W166 HydrophobicContact CD2-CZ3 4.38Å; L134-W166 HydrophobicContact CG-CD2 4.25Å; L134-W166 HydrophobicContact CG-CE3 4.37Å; L134-W166 WeakPolarHBondContact O-CH2 3.44Å; L134-W166 WeakPolarHBondContact O-CZ3 3.48Å; F138-W166 HydrophobicContact CB-CH2 4.03Å; F138-W166 HydrophobicContact CB-CZ3 3.98Å; F138-W166 HydrophobicContact CD2-CZ3 4.35Å; F138-W166 HydrophobicContact CG-CH2 4.5Å; F138-W166 HydrophobicContact CG-CZ3 4.38Å; Q162-W166 WeakPolarHBondContact O-CB 3.29Å; Q162-W166 PolarHBondContact O-N 3.34Å; I163-W166 PolarHBondContact O-N 2.78Å; W166-Q168 VanDerWaalsContact C-N 3.33Å; W166-Q168 PolarHBondContact O-N 2.69Å; W166-N169 PolarHBondContact O-N 3.24Å; W166-R170 HydrophobicContact CD2-CB 4.43Å; W166-R170 HydrophobicContact CE3-CB 4.1Å; W166-R170 HydrophobicContact CH2-CB 4.02Å; W166-R170 HydrophobicContact CH2-CG 3.67Å; W166-R170 HydrophobicContact CZ2-CB 4.37Å; W166-R170 HydrophobicContact CZ2-CG 4.23Å; W166-R170 HydrophobicContact CZ3-CB 3.88Å; W166-R170 HydrophobicContact CZ3-CG 3.9Å; W166-R170 VanDerWaalsContact O-CB 3.27Å; W166-R170 WeakPolarHBondContact O-CB 3.41Å; W166-R170 PolarHBondContact O-N 3.02Å
167Y98.5Very high96.4Very high5 Ų568.8 Ų68.82%0.0235%0.347CS..Hα-helixtrans-60.2-41.4177-95.6-97.2000112.6L134 S137 F138 Q141 L144 L152 I163 K164 R170 R171L134-Y167 HydrophobicContact CD2-CE2 4.23Å; S137-Y167 WeakPolarHBondContact CB-OH 3.34Å; S137-Y167 PolarHBondContact OG-OH 2.82Å; F138-Y167 HydrophobicContact CB-CE1 4.33Å; F138-Y167 AromaticContact CD2-CD1 3.86Å; F138-Y167 HydrophobicContact CD2-CD1 3.86Å; F138-Y167 AromaticContact CD2-CE1 3.74Å; F138-Y167 HydrophobicContact CD2-CE1 3.74Å; F138-Y167 HydrophobicContact CE2-CD1 4.42Å; F138-Y167 PolarHBondContact N-OH 2.9Å; Q141-Y167 WeakPolarHBondContact O-CE1 3.45Å; L144-Y167 HydrophobicContact CD1-CD1 4.42Å; L144-Y167 HydrophobicContact CD1-CD2 3.84Å; L144-Y167 HydrophobicContact CD1-CE1 3.96Å; L144-Y167 HydrophobicContact CD1-CE2 3.33Å; L144-Y167 HydrophobicContact CD1-CG 4.36Å; L144-Y167 HydrophobicContact CD2-CE1 4.02Å; L144-Y167 HydrophobicContact CG-CD1 4.07Å; L144-Y167 HydrophobicContact CG-CD2 4.38Å; L144-Y167 HydrophobicContact CG-CE1 3.57Å; L144-Y167 HydrophobicContact CG-CE2 3.93Å; L144-Y167 HydrophobicContact CG-CG 4.45Å; L144-Y167 VanDerWaalsContact CG-CZ 3.49Å; L152-Y167 HydrophobicContact CD2-CE2 3.85Å; I163-Y167 HydrophobicContact CG2-CD2 3.85Å; I163-Y167 HydrophobicContact CG2-CE2 4.04Å; I163-Y167 WeakPolarHBondContact O-CD2 3.18Å; I163-Y167 PolarHBondContact O-N 2.83Å; K164-Y167 PolarHBondContact O-N 3.44Å; Y167-R170 PolarHBondContact O-N 3.45Å; Y167-R171 WeakPolarHBondContact O-CG 3.35Å; Y167-R171 PolarHBondContact O-N 2.95Å
168Q98.3Very high95.8Very high97 Ų9768 Ų6845%0.45333%0.326SS..Hα-helixtrans-63.2-45.4176.2-175.359.833.600111.9K164 T165 W166 R170 T172K164-Q168 WeakPolarHBondContact O-CB 3.26Å; K164-Q168 PolarHBondContact O-N 3.05Å; T165-Q168 PolarHBondContact O-N 2.76Å; W166-Q168 VanDerWaalsContact C-N 3.33Å; W166-Q168 PolarHBondContact O-N 2.69Å; Q168-R170 VanDerWaalsContact C-N 3.35Å; Q168-T172 PolarHBondContact O-N 2.8Å; Q168-T172 PolarHBondContact O-OG1 2.93Å
169N97.5Very high95.1Very high101 Ų10171.3 Ų71.354%0.5435%0.346SS..Hα-helixtrans-64.5-41.4176.7-70.7-20.2000111.2T165 W166 T172 K173T165-N169 WeakPolarHBondContact O-CB 3.39Å; T165-N169 VanDerWaalsContact O-CG 3.27Å; T165-N169 PolarHBondContact O-N 2.98Å; T165-N169 PolarHBondContact O-ND2 3.11Å; W166-N169 PolarHBondContact O-N 3.24Å; N169-T172 WeakPolarHBondContact O-CB 3.36Å; N169-T172 PolarHBondContact O-N 3.06Å; N169-K173 PolarHBondContact O-N 3.38Å
170R98Very high94.3Very high33 Ų3372.2 Ų72.213%0.12535%0.35CS..Hα-helixtrans-64.1-44.1179.7-176.565.2-167.695-4.5112.1E135 F138 W166 Y167 Q168 T172 K173 W174E135-R170 VanDerWaalsContact CD-NE 3.32Å; E135-R170 IonicContact OE1-CZ 3.26Å; E135-R170 VanDerWaalsContact OE1-CZ 3.26Å; E135-R170 IonicContact OE1-NE 2.99Å; E135-R170 PolarHBondContact OE1-NE 2.73Å; E135-R170 IonicContact OE1-NH2 2.69Å; E135-R170 PolarHBondContact OE1-NH2 2.85Å; E135-R170 WeakPolarHBondContact OE2-CD 3.43Å; E135-R170 IonicContact OE2-CZ 3.78Å; E135-R170 IonicContact OE2-NE 2.8Å; E135-R170 PolarHBondContact OE2-NE 3.22Å; E135-R170 IonicContact OE2-NH2 3.91Å; F138-R170 HydrophobicContact CD1-CG 3.71Å; F138-R170 HydrophobicContact CD2-CB 4.25Å; F138-R170 HydrophobicContact CD2-CG 3.63Å; F138-R170 HydrophobicContact CE1-CG 3.73Å; F138-R170 HydrophobicContact CE2-CB 4.14Å; F138-R170 HydrophobicContact CE2-CG 3.66Å; F138-R170 HydrophobicContact CG-CG 3.67Å; F138-R170 HydrophobicContact CZ-CB 4.49Å; F138-R170 HydrophobicContact CZ-CG 3.71Å; W166-R170 HydrophobicContact CD2-CB 4.43Å; W166-R170 HydrophobicContact CE3-CB 4.1Å; W166-R170 HydrophobicContact CH2-CB 4.02Å; W166-R170 HydrophobicContact CH2-CG 3.67Å; W166-R170 HydrophobicContact CZ2-CB 4.37Å; W166-R170 HydrophobicContact CZ2-CG 4.23Å; W166-R170 HydrophobicContact CZ3-CB 3.88Å; W166-R170 HydrophobicContact CZ3-CG 3.9Å; W166-R170 VanDerWaalsContact O-CB 3.27Å; W166-R170 WeakPolarHBondContact O-CB 3.41Å; W166-R170 PolarHBondContact O-N 3.02Å; Y167-R170 PolarHBondContact O-N 3.45Å; Q168-R170 VanDerWaalsContact C-N 3.35Å; R170-T172 VanDerWaalsContact C-N 3.33Å; R170-K173 PolarHBondContact O-N 2.99Å; R170-W174 WeakPolarHBondContact O-CB 3.39Å; R170-W174 PolarHBondContact O-N 3.39Å
171R97.4Very high93.4Very high41 Ų4172.4 Ų72.416%0.15535%0.353CS..Hα-helixtrans-60.9-40.7172-75.7-166.5-64.7-891.6112.3F138 R142 Y167 W174 K175F138-R171 HydrophobicContact CE2-CG 3.75Å; F138-R171 HydrophobicContact CZ-CG 4.13Å; R142-R171 WeakPolarHBondContact O-CD 3.22Å; R142-R171 PolarHBondContact O-NH1 2.9Å; Y167-R171 WeakPolarHBondContact O-CG 3.35Å; Y167-R171 PolarHBondContact O-N 2.95Å; R171-W174 PolarHBondContact O-N 3.36Å; R171-K175 WeakPolarHBondContact O-CB 3.43Å; R171-K175 PolarHBondContact O-N 3.02Å
172T96.2Very high92.4Very high42 Ų4276 Ų7626%0.25836%0.363SS..Hα-helixtrans-62.3-45.8177.1-580000111.1Q168 N169 R170 K175 R176Q168-T172 PolarHBondContact O-N 2.8Å; Q168-T172 PolarHBondContact O-OG1 2.93Å; N169-T172 WeakPolarHBondContact O-CB 3.36Å; N169-T172 PolarHBondContact O-N 3.06Å; R170-T172 VanDerWaalsContact C-N 3.33Å; T172-K175 PolarHBondContact O-N 3.46Å; T172-R176 WeakPolarHBondContact O-CG 3.25Å; T172-R176 PolarHBondContact O-N 3.39Å
173K95.2Very high91.5Very high124 Ų12483.7 Ų83.754%0.53939%0.389SS..Hα-helixtrans-61-46.7174.4-174.1179.1-178.2-177.60111.5N169 R170 K175 R176 Q177N169-K173 PolarHBondContact O-N 3.38Å; R170-K173 PolarHBondContact O-N 2.99Å; K173-K175 PolarHBondContact O-N 2.78Å; K173-R176 PolarHBondContact O-N 3.32Å; K173-Q177 VanDerWaalsContact O-CG 3.32Å; K173-Q177 WeakPolarHBondContact O-CG 3.45Å; K173-Q177 PolarHBondContact O-N 3.02Å
174W94.7Very high90Very high70 Ų7087.7 Ų87.727%0.26541%0.411SS..Hα-helixtrans-58.6-48.5177.7176.677.2000111.8F138 R170 R171 R176 Q177 M178F138-W174 HydrophobicContact CE1-CB 4.4Å; F138-W174 HydrophobicContact CE1-CG 4.47Å; F138-W174 HydrophobicContact CZ-CB 4.26Å; F138-W174 HydrophobicContact CZ-CG 4.49Å; R170-W174 WeakPolarHBondContact O-CB 3.39Å; R170-W174 PolarHBondContact O-N 3.39Å; R171-W174 PolarHBondContact O-N 3.36Å; W174-R176 VanDerWaalsContact C-N 3.33Å; W174-R176 PolarHBondContact O-N 3.24Å; W174-Q177 WeakPolarHBondContact O-CB 3.23Å; W174-Q177 PolarHBondContact O-N 3.46Å; W174-Q177 VanDerWaalsContact O-N 3.13Å; W174-M178 HydrophobicContact CD2-CG 4.07Å; W174-M178 HydrophobicContact CH2-CG 4.31Å; W174-M178 HydrophobicContact CZ2-CG 3.79Å; W174-M178 HydrophobicContact CZ2-SD 4.26Å; W174-M178 WeakPolarHBondContact O-CG 3.37Å; W174-M178 PolarHBondContact O-N 3.34Å
175K92.1Very high88.2Confident133 Ų13389.4 Ų89.458%0.57842%0.418SS*.Hα-helixtrans-57.3-45.9176.9-176.6174.465.3170.80111.6R171 T172 K173 Q177 M178 T179R171-K175 WeakPolarHBondContact O-CB 3.43Å; R171-K175 PolarHBondContact O-N 3.02Å; T172-K175 PolarHBondContact O-N 3.46Å; K173-K175 PolarHBondContact O-N 2.78Å; K175-Q177 VanDerWaalsContact C-N 3.34Å; K175-Q177 PolarHBondContact O-N 3.22Å; K175-M178 PolarHBondContact O-N 2.93Å; K175-T179 PolarHBondContact O-N 2.98Å; K175-T179 PolarHBondContact O-OG1 3.37Å; K175-T179 VanDerWaalsContact O-OG1 3.04Å
176R89.7Confident86.4Confident175 Ų17593.3 Ų93.366%0.6644%0.436SS*.Hα-helixtrans-59.1-44.9176.1-72.5175.1179.5172.10.1111.6T172 K173 W174 M178 T179 T180T172-R176 WeakPolarHBondContact O-CG 3.25Å; T172-R176 PolarHBondContact O-N 3.39Å; K173-R176 PolarHBondContact O-N 3.32Å; W174-R176 VanDerWaalsContact C-N 3.33Å; W174-R176 PolarHBondContact O-N 3.24Å; R176-M178 PolarHBondContact O-N 3.21Å; R176-T179 PolarHBondContact O-N 3.06Å; R176-T180 PolarHBondContact O-N 2.88Å; R176-T180 PolarHBondContact O-OG1 3.42Å; R176-T180 VanDerWaalsContact O-OG1 3.06Å
177Q88.9Confident84.4Confident68 Ų6896 Ų9632%0.31846%0.46SS..Hα-helixtrans-60-44.9176.8-70.2168.4-39.200111.6K173 W174 K175 T180 I181K173-Q177 VanDerWaalsContact O-CG 3.32Å; K173-Q177 WeakPolarHBondContact O-CG 3.45Å; K173-Q177 PolarHBondContact O-N 3.02Å; W174-Q177 WeakPolarHBondContact O-CB 3.23Å; W174-Q177 PolarHBondContact O-N 3.46Å; W174-Q177 VanDerWaalsContact O-N 3.13Å; K175-Q177 VanDerWaalsContact C-N 3.34Å; K175-Q177 PolarHBondContact O-N 3.22Å; Q177-T180 PolarHBondContact O-N 2.87Å; Q177-I181 WeakPolarHBondContact O-CD1 3.4Å; Q177-I181 VanDerWaalsContact O-CG1 3.25Å; Q177-I181 WeakPolarHBondContact O-CG1 3.31Å; Q177-I181 PolarHBondContact O-N 3.33Å
178M86.1Confident81.8Confident51 Ų51103.2 Ų103.225%0.25150%0.499SS..Hα-helixtrans-64.2-43.1177.9-63.4-58.2101.500111.9W174 K175 R176 T180 I181 L182W174-M178 HydrophobicContact CD2-CG 4.07Å; W174-M178 HydrophobicContact CH2-CG 4.31Å; W174-M178 HydrophobicContact CZ2-CG 3.79Å; W174-M178 HydrophobicContact CZ2-SD 4.26Å; W174-M178 WeakPolarHBondContact O-CG 3.37Å; W174-M178 PolarHBondContact O-N 3.34Å; K175-M178 PolarHBondContact O-N 2.93Å; R176-M178 PolarHBondContact O-N 3.21Å; M178-T180 PolarHBondContact O-N 3.07Å; M178-I181 HydrophobicContact CE-CD1 3.75Å; M178-I181 PolarHBondContact O-N 3.33Å; M178-L182 VanDerWaalsContact O-CG 3.29Å; M178-L182 WeakPolarHBondContact O-CG 3.24Å; M178-L182 PolarHBondContact O-N 3.02Å
179T82.5Confident79.3Confident89 Ų89107.2 Ų107.255%0.54652%0.515SS..Hα-helixtrans-62.8-41.5176.5-55.50000112.1K175 R176 L182 R183K175-T179 PolarHBondContact O-N 2.98Å; K175-T179 PolarHBondContact O-OG1 3.37Å; K175-T179 VanDerWaalsContact O-OG1 3.04Å; R176-T179 PolarHBondContact O-N 3.06Å; T179-L182 PolarHBondContact O-N 3.37Å; T179-R183 PolarHBondContact O-N 3.26Å; T179-R183 VanDerWaalsContact O-N 3.08Å
180T80.1Confident76.6Confident78 Ų78109.4 Ų109.448%0.47953%0.527SS..Hα-helixtrans-64-41.8176.3-59.40000111.9R176 Q177 M178 R183 N184R176-T180 PolarHBondContact O-N 2.88Å; R176-T180 PolarHBondContact O-OG1 3.42Å; R176-T180 VanDerWaalsContact O-OG1 3.06Å; Q177-T180 PolarHBondContact O-N 2.87Å; M178-T180 PolarHBondContact O-N 3.07Å; T180-R183 PolarHBondContact O-N 3.43Å; T180-N184 WeakPolarHBondContact O-CB 3.46Å; T180-N184 PolarHBondContact O-N 3.45Å
181I79.2Confident74.2Confident91 Ų91116.2 Ų116.247%0.46756%0.56SS.*Hα-helixtrans-63.1-43.7176.8-68.1163.5000110.7Q177 M178 R183 N184 K185Q177-I181 WeakPolarHBondContact O-CD1 3.4Å; Q177-I181 VanDerWaalsContact O-CG1 3.25Å; Q177-I181 WeakPolarHBondContact O-CG1 3.31Å; Q177-I181 PolarHBondContact O-N 3.33Å; M178-I181 HydrophobicContact CE-CD1 3.75Å; M178-I181 PolarHBondContact O-N 3.33Å; I181-R183 VanDerWaalsContact C-N 3.29Å; I181-R183 PolarHBondContact O-N 3.19Å; I181-N184 PolarHBondContact O-N 3.27Å; I181-K185 PolarHBondContact O-N 3.48Å
182L77.3Confident71.7Confident111 Ų111121.1 Ų121.158%0.58159%0.589SS**Hα-helixtrans-62.4-35.3178.1-70.3171.3000112.6M178 T179M178-L182 VanDerWaalsContact O-CG 3.29Å; M178-L182 WeakPolarHBondContact O-CG 3.24Å; M178-L182 PolarHBondContact O-N 3.02Å; T179-L182 PolarHBondContact O-N 3.37Å
183R78.9Confident69.5Low215 Ų215125.8 Ų125.881%0.81161%0.611SS**Hα-helixtrans-72-35.8176.1-175.1-179.5176.1-167.8-1.6112.8T179 T180 I181T179-R183 PolarHBondContact O-N 3.26Å; T179-R183 VanDerWaalsContact O-N 3.08Å; T180-R183 PolarHBondContact O-N 3.43Å; I181-R183 VanDerWaalsContact C-N 3.29Å; I181-R183 PolarHBondContact O-N 3.19Å
184N66.6Low67.5Low86 Ų86123 Ų12346%0.4660%0.6SS.*THydrogen-bonded Turntrans-93.813.3-173.5-66.6-5.9000113.7T180 I181 D186 S187T180-N184 WeakPolarHBondContact O-CB 3.46Å; T180-N184 PolarHBondContact O-N 3.45Å; I181-N184 PolarHBondContact O-N 3.27Å; N184-D186 PolarHBondContact O-N 2.93Å; N184-S187 PolarHBondContact O-N 3.04Å
185K58.7Low65.3Low158 Ų158124 Ų12469%0.68762%0.616SS**THydrogen-bonded Turntrans-56.1-19.5179.1-86-175.6171.5179.10114.1I181I181-K185 PolarHBondContact O-N 3.48Å
186D61.1Low63.2Low157 Ų157124.2 Ų124.284%0.8462%0.617SS**THydrogen-bonded Turntrans-85.7-10.5176.6-60.9-37.5000114.2N184N184-D186 PolarHBondContact O-N 2.93Å
187S55.3Low61.4Low90 Ų90117.4 Ų117.463%0.62959%0.594SS**SBendtrans-112.995.3-178.5-63.80000111.1N184 K189N184-S187 PolarHBondContact O-N 3.04Å; S187-K189 PolarHBondContact O-N 2.93Å
188N44.9Very low59.7Low157 Ų157121.7 Ų121.784%0.8461%0.612SS**  trans-42.5133.9164.8-89.7-47.9000111.7
189K44Very low58.1Low181 Ų181126.7 Ų126.779%0.78763%0.632SS**  trans83.7108.3171.4-50.6176.3-176.51790115.3S187S187-K189 PolarHBondContact O-N 2.93Å
190N42.4Very low56.7Low148 Ų148123.8 Ų123.879%0.79161%0.613SS**SBend178.5106.7114-79.9-30.3000110.9
191Q46.7Very low55.5Low175 Ų175121 Ų12182%0.81860%0.595SS**  trans50.573.1153.5-57.1177.622.600115.8L193Q191-L193 PolarHBondContact O-N 3.45Å
192L45.6Very low54.4Low145 Ų145118.9 Ų118.976%0.75959%0.589SS**  4654.787.6-97.7162.6000114.9E194 P195L192-E194 VanDerWaalsContact C-N 3.29Å; L192-P195 HydrophobicContact CD2-CG 3.72Å
193L50.1Low53.4Low140 Ų140118.1 Ų118.173%0.73359%0.585SS**  trans-93.350.2153.6-66.9177.8000110.3Q191 N197Q191-L193 PolarHBondContact O-N 3.45Å; L193-N197 PolarHBondContact O-ND2 3.37Å
194E53.4Low52.1Low64 Ų64108.6 Ų108.630%0.29955%0.551SS.*  trans-1418.7-177.2-86.4-54.1139.300119.1L192 N197L192-E194 VanDerWaalsContact C-N 3.29Å; E194-N197 PolarHBondContact OE1-ND2 3.28Å
195P46.9Very low51.6Low92 Ų92110 Ų11060%0.59755%0.553SS**Hα-helixtrans-80.7-35.3163.3-17.132.5000112.9L192L192-P195 HydrophobicContact CD2-CG 3.72Å
196F48.7Very low51.4Low138 Ų138107.7 Ų107.761%0.60555%0.545SS*.Hα-helixtrans-79.3-32.9-172.5-164.2-105.2000113.1K199 I200F196-K199 PolarHBondContact O-N 3.5Å; F196-I200 HydrophobicContact CD1-CG1 3.91Å; F196-I200 HydrophobicContact CE1-CD1 4.02Å; F196-I200 HydrophobicContact CE1-CG1 3.55Å; F196-I200 HydrophobicContact CE2-CG1 4.46Å; F196-I200 HydrophobicContact CZ-CD1 3.86Å; F196-I200 HydrophobicContact CZ-CG1 3.86Å; F196-I200 WeakPolarHBondContact O-CG1 3.12Å; F196-I200 PolarHBondContact O-N 3.38Å
197N52.8Low50.8Low32 Ų32106.1 Ų106.117%0.17153%0.532CS..Hα-helixtrans-66-42.4-178.7-68.8-19.9000111.9L139 L193 E194 K199 T201L139-N197 HydrophobicContact CD2-CB 4.33Å; L139-N197 WeakPolarHBondContact CD2-OD1 3.48Å; L193-N197 PolarHBondContact O-ND2 3.37Å; E194-N197 PolarHBondContact OE1-ND2 3.28Å; N197-K199 PolarHBondContact O-N 3.45Å; N197-T201 VanDerWaalsContact O-CB 3.23Å; N197-T201 WeakPolarHBondContact O-CB 3.42Å; N197-T201 PolarHBondContact O-N 3.13Å; N197-T201 PolarHBondContact O-OG1 2.97Å
198F51.7Low50.5Low158 Ų158104.1 Ų104.169%0.69352%0.517SS*.Hα-helixtrans-62.6-41.3178.7-103.6-87.3000113S202F198-S202 WeakPolarHBondContact O-CB 3.48Å; F198-S202 PolarHBondContact O-N 3.07Å; F198-S202 PolarHBondContact O-OG 3.45Å
199K52.2Low50.7Low156 Ų156101.1 Ų101.168%0.67850%0.497SS*.Hα-helixtrans-70.4-43.8-178.4-162.9170.8-175.6178.90111.9F196 N197 S202 L203F196-K199 PolarHBondContact O-N 3.5Å; N197-K199 PolarHBondContact O-N 3.45Å; K199-S202 PolarHBondContact O-N 2.82Å; K199-S202 PolarHBondContact O-OG 3.31Å; K199-L203 PolarHBondContact O-N 3.33Å
200I53.7Low51Low28 Ų2896.2 Ų96.214%0.14448%0.483CS..Hα-helixtrans-64.5-44.7174.7-65-60.6000111.2L139 F196 S202 L203 C204L139-I200 HydrophobicContact CB-CG2 3.84Å; L139-I200 HydrophobicContact CD1-CG2 4.44Å; F196-I200 HydrophobicContact CD1-CG1 3.91Å; F196-I200 HydrophobicContact CE1-CD1 4.02Å; F196-I200 HydrophobicContact CE1-CG1 3.55Å; F196-I200 HydrophobicContact CE2-CG1 4.46Å; F196-I200 HydrophobicContact CZ-CD1 3.86Å; F196-I200 HydrophobicContact CZ-CG1 3.86Å; F196-I200 WeakPolarHBondContact O-CG1 3.12Å; F196-I200 PolarHBondContact O-N 3.38Å; I200-S202 VanDerWaalsContact C-N 3.26Å; I200-S202 PolarHBondContact O-N 3.49Å; I200-L203 PolarHBondContact O-N 3.41Å; I200-C204 WeakPolarHBondContact O-CB 3.45Å; I200-C204 PolarHBondContact O-N 3.22Å
201T55.2Low51.4Low18 Ų1891.8 Ų91.811%0.1146%0.464CS..Hα-helixtrans-59.5-38.2174.3-64.80000111L139 N197 K205L139-T201 PolarHBondContact O-OG1 3.2Å; N197-T201 VanDerWaalsContact O-CB 3.23Å; N197-T201 WeakPolarHBondContact O-CB 3.42Å; N197-T201 PolarHBondContact O-N 3.13Å; N197-T201 PolarHBondContact O-OG1 2.97Å; T201-K205 HydrophobicContact CG2-CD 3.88Å; T201-K205 VanDerWaalsContact CG2-CE 3.47Å; T201-K205 HydrophobicContact CG2-CG 4.32Å; T201-K205 WeakPolarHBondContact O-CB 3.21Å; T201-K205 WeakPolarHBondContact O-CG 3.34Å; T201-K205 PolarHBondContact O-N 3.43Å
202S55.3Low51.7Low48 Ų4888.9 Ų88.934%0.33645%0.45SS..Hα-helixtrans-68.7-41.7176.172.40000113.3F198 K199 I200 K205 Q206F198-S202 WeakPolarHBondContact O-CB 3.48Å; F198-S202 PolarHBondContact O-N 3.07Å; F198-S202 PolarHBondContact O-OG 3.45Å; K199-S202 PolarHBondContact O-N 2.82Å; K199-S202 PolarHBondContact O-OG 3.31Å; I200-S202 VanDerWaalsContact C-N 3.26Å; I200-S202 PolarHBondContact O-N 3.49Å; S202-K205 PolarHBondContact O-N 3.36Å; S202-Q206 VanDerWaalsContact O-CG 3.31Å; S202-Q206 WeakPolarHBondContact O-CG 3.48Å; S202-Q206 PolarHBondContact O-N 3.45Å
203L57.1Low51.8Low94 Ų9489 Ų8949%0.49244%0.442SS..Hα-helixtrans-68.6-39.7179.6-172.267.9000111.4K199 I200 Q207K199-L203 PolarHBondContact O-N 3.33Å; I200-L203 PolarHBondContact O-N 3.41Å; L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 3.38Å
204C51.8Low51.7Low16 Ų1688.1 Ų88.111%0.10843%0.434CS..Hα-helixtrans-67.8-42.8172.8175.50000112.1C140 I200 Q206 Q207 T208C140-C204 WeakPolarHBondContact CA-SG 3.43Å; C140-C204 HydrophobicContact CB-CB 3.71Å; C140-C204 WeakPolarHBondContact CB-SG 3.16Å; C140-C204 WeakPolarHBondContact SG-CB 3.4Å; C140-C204 VanDerWaalsContact SG-SG 3.68Å; I200-C204 WeakPolarHBondContact O-CB 3.45Å; I200-C204 PolarHBondContact O-N 3.22Å; C204-Q206 VanDerWaalsContact C-N 3.29Å; C204-Q206 PolarHBondContact O-N 2.99Å; C204-Q207 WeakPolarHBondContact O-CA 3.44Å; C204-Q207 WeakPolarHBondContact O-CB 3.49Å; C204-Q207 PolarHBondContact O-N 3.33Å; C204-T208 PolarHBondContact O-N 3.31Å; C204-T208 PolarHBondContact O-OG1 2.96Å
205K56.9Low51.7Low115 Ų11589.7 Ų89.750%0.544%0.443SS..Hα-helixtrans-58.9-40.9175.6-80.4175.5177.6-174.80112T201 S202 Q207 T208 E209T201-K205 HydrophobicContact CG2-CD 3.88Å; T201-K205 VanDerWaalsContact CG2-CE 3.47Å; T201-K205 HydrophobicContact CG2-CG 4.32Å; T201-K205 WeakPolarHBondContact O-CB 3.21Å; T201-K205 WeakPolarHBondContact O-CG 3.34Å; T201-K205 PolarHBondContact O-N 3.43Å; S202-K205 PolarHBondContact O-N 3.36Å; K205-Q207 VanDerWaalsContact C-N 3.3Å; K205-Q207 PolarHBondContact O-N 3.05Å; K205-T208 WeakPolarHBondContact CA-OG1 3.43Å; K205-T208 CarbonylContact O-C 3.6Å; K205-T208 PolarHBondContact O-N 3.1Å; K205-T208 PolarHBondContact O-OG1 3.36Å; K205-E209 VanDerWaalsContact O-CB 3.28Å; K205-E209 WeakPolarHBondContact O-CB 3.41Å; K205-E209 VanDerWaalsContact O-CG 3.29Å; K205-E209 WeakPolarHBondContact O-CG 3.24Å; K205-E209 PolarHBondContact O-N 3.06Å
206Q52.8Low52Low110 Ų11088.5 Ų88.551%0.51443%0.431SS..Hα-helixtrans-62.4-36.4174.3-72.5172.33500112.2S202 C204 T210S202-Q206 VanDerWaalsContact O-CG 3.31Å; S202-Q206 WeakPolarHBondContact O-CG 3.48Å; S202-Q206 PolarHBondContact O-N 3.45Å; C204-Q206 VanDerWaalsContact C-N 3.29Å; C204-Q206 PolarHBondContact O-N 2.99Å; Q206-T210 WeakPolarHBondContact O-CB 3.32Å; Q206-T210 VanDerWaalsContact O-CG2 3.3Å; Q206-T210 WeakPolarHBondContact O-CG2 3.37Å; Q206-T210 PolarHBondContact O-N 3.38Å; Q206-T210 PolarHBondContact O-OG1 3.26Å
207Q48.6Very low52.1Low123 Ų12384.4 Ų84.458%0.57542%0.419SS*.Hα-helixtrans-69.1-39.4173.7-69.1176.524.600112.3L203 C204 K205 T210 S211L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 3.38Å; C204-Q207 WeakPolarHBondContact O-CA 3.44Å; C204-Q207 WeakPolarHBondContact O-CB 3.49Å; C204-Q207 PolarHBondContact O-N 3.33Å; K205-Q207 VanDerWaalsContact C-N 3.3Å; K205-Q207 PolarHBondContact O-N 3.05Å; Q207-T210 WeakPolarHBondContact CA-OG1 3.3Å; Q207-T210 PolarHBondContact O-OG1 3.08Å; Q207-S211 WeakPolarHBondContact O-CB 3.23Å; Q207-S211 PolarHBondContact O-N 3.08Å
208T50.4Low51.9Low49 Ų4987.4 Ų87.430%0.30144%0.435SS..Hα-helixtrans-72-35.4175.158.60000112.2C204 K205 S211 Q212C204-T208 PolarHBondContact O-N 3.31Å; C204-T208 PolarHBondContact O-OG1 2.96Å; K205-T208 WeakPolarHBondContact CA-OG1 3.43Å; K205-T208 CarbonylContact O-C 3.6Å; K205-T208 PolarHBondContact O-N 3.1Å; K205-T208 PolarHBondContact O-OG1 3.36Å; T208-S211 PolarHBondContact O-N 3.37Å; T208-Q212 WeakPolarHBondContact O-CB 3.24Å; T208-Q212 WeakPolarHBondContact O-CG 3.41Å; T208-Q212 PolarHBondContact O-N 3.49Å
209E47.3Very low52Low93 Ų9387.6 Ų87.644%0.43543%0.431SS..Hα-helixtrans-65.6-47174.9-80171.7-159.900109.3K205 S211 Q212 Y213K205-E209 VanDerWaalsContact O-CB 3.28Å; K205-E209 WeakPolarHBondContact O-CB 3.41Å; K205-E209 VanDerWaalsContact O-CG 3.29Å; K205-E209 WeakPolarHBondContact O-CG 3.24Å; K205-E209 PolarHBondContact O-N 3.06Å; E209-S211 PolarHBondContact O-N 3.48Å; E209-Q212 CarbonylContact O-C 3.57Å; E209-Q212 PolarHBondContact O-N 3.33Å; E209-Y213 VanDerWaalsContact C-CD2 3.49Å; E209-Y213 HydrophobicContact CB-CD2 4.16Å; E209-Y213 HydrophobicContact CB-CE2 4.02Å; E209-Y213 VanDerWaalsContact O-CB 3.32Å; E209-Y213 WeakPolarHBondContact O-CB 3.48Å; E209-Y213 WeakPolarHBondContact O-CD2 3.42Å; E209-Y213 PolarHBondContact O-N 2.97Å
210T50.8Low52Low79 Ų7987.1 Ų87.149%0.48543%0.426SS..Hα-helixtrans-61.8-42.5175.4480000112.5Q206 Q207 Y213 Q214Q206-T210 WeakPolarHBondContact O-CB 3.32Å; Q206-T210 VanDerWaalsContact O-CG2 3.3Å; Q206-T210 WeakPolarHBondContact O-CG2 3.37Å; Q206-T210 PolarHBondContact O-N 3.38Å; Q206-T210 PolarHBondContact O-OG1 3.26Å; Q207-T210 WeakPolarHBondContact CA-OG1 3.3Å; Q207-T210 PolarHBondContact O-OG1 3.08Å; T210-Y213 PolarHBondContact O-N 3.44Å; T210-Q214 WeakPolarHBondContact O-CB 3.26Å; T210-Q214 VanDerWaalsContact O-CG 3.25Å; T210-Q214 WeakPolarHBondContact O-CG 3.38Å; T210-Q214 PolarHBondContact O-N 3.32Å
211S50.7Low52.1Low55 Ų5589.7 Ų89.739%0.38544%0.443SS..Hα-helixtrans-64.6-41.3173.3-179.50000112.6Q207 T208 E209 Q214 I215Q207-S211 WeakPolarHBondContact O-CB 3.23Å; Q207-S211 PolarHBondContact O-N 3.08Å; T208-S211 PolarHBondContact O-N 3.37Å; E209-S211 PolarHBondContact O-N 3.48Å; S211-Q214 WeakPolarHBondContact O-CB 3.47Å; S211-Q214 PolarHBondContact O-N 2.96Å; S211-I215 VanDerWaalsContact O-CG1 3.25Å; S211-I215 WeakPolarHBondContact O-CG1 3.13Å; S211-I215 PolarHBondContact O-N 3.32Å
212Q53.2Low52.1Low113 Ų11393.7 Ų93.753%0.52846%0.463SS..Hα-helixtrans-66.8-40.4173.8-77.6-178.34.800112T208 E209 Q214 I215 I216T208-Q212 WeakPolarHBondContact O-CB 3.24Å; T208-Q212 WeakPolarHBondContact O-CG 3.41Å; T208-Q212 PolarHBondContact O-N 3.49Å; E209-Q212 CarbonylContact O-C 3.57Å; E209-Q212 PolarHBondContact O-N 3.33Å; Q212-Q214 VanDerWaalsContact C-N 3.27Å; Q212-Q214 PolarHBondContact O-N 2.94Å; Q212-I215 PolarHBondContact O-N 3.08Å; Q212-I216 VanDerWaalsContact O-CB 3.23Å; Q212-I216 WeakPolarHBondContact O-CB 3.35Å; Q212-I216 WeakPolarHBondContact O-CD1 3.37Å; Q212-I216 WeakPolarHBondContact O-CG1 3.27Å; Q212-I216 PolarHBondContact O-N 3Å
213Y48.1Very low52.2Low149 Ų14996.7 Ų96.758%0.58447%0.472SS*.Hα-helixtrans-62.4-37.3173.4-79.5-64.7000110.2E209 T210 S217E209-Y213 VanDerWaalsContact C-CD2 3.49Å; E209-Y213 HydrophobicContact CB-CD2 4.16Å; E209-Y213 HydrophobicContact CB-CE2 4.02Å; E209-Y213 VanDerWaalsContact O-CB 3.32Å; E209-Y213 WeakPolarHBondContact O-CB 3.48Å; E209-Y213 WeakPolarHBondContact O-CD2 3.42Å; E209-Y213 PolarHBondContact O-N 2.97Å; T210-Y213 PolarHBondContact O-N 3.44Å; Y213-S217 WeakPolarHBondContact O-CA 3.44Å; Y213-S217 WeakPolarHBondContact O-CB 3.45Å; Y213-S217 PolarHBondContact O-N 2.83Å; Y213-S217 PolarHBondContact O-OG 3.07Å
214Q49.2Very low52.5Low121 Ų12196.9 Ų96.957%0.56547%0.474SS*.Hα-helixtrans-66.4-42.9172-74.4172.6-4.700112.2T210 S211 Q212 S217 N218T210-Q214 WeakPolarHBondContact O-CB 3.26Å; T210-Q214 VanDerWaalsContact O-CG 3.25Å; T210-Q214 WeakPolarHBondContact O-CG 3.38Å; T210-Q214 PolarHBondContact O-N 3.32Å; S211-Q214 WeakPolarHBondContact O-CB 3.47Å; S211-Q214 PolarHBondContact O-N 2.96Å; Q212-Q214 VanDerWaalsContact C-N 3.27Å; Q212-Q214 PolarHBondContact O-N 2.94Å; Q214-S217 WeakPolarHBondContact CA-OG 3.25Å; Q214-S217 PolarHBondContact O-N 3.38Å; Q214-S217 PolarHBondContact O-OG 3.32Å; Q214-N218 WeakPolarHBondContact O-CB 3.47Å; Q214-N218 PolarHBondContact O-N 3Å; Q214-N218 PolarHBondContact O-ND2 3.43Å; Q214-N218 PolarHBondContact O-OD1 3.31Å
215I53.2Low52.9Low96 Ų96103.7 Ų103.749%0.49250%0.498SS..Hα-helixtrans-66.1-42.8176.4-67162.2000110.7S211 Q212 R219S211-I215 VanDerWaalsContact O-CG1 3.25Å; S211-I215 WeakPolarHBondContact O-CG1 3.13Å; S211-I215 PolarHBondContact O-N 3.32Å; Q212-I215 PolarHBondContact O-N 3.08Å; I215-R219 VanDerWaalsContact O-CB 3.3Å; I215-R219 WeakPolarHBondContact O-CB 3.42Å; I215-R219 PolarHBondContact O-N 3.29Å
216I52.3Low53.5Low68 Ų68102 Ų10235%0.34950%0.501SS..Hα-helixtrans-69.1-40.9177.8-68.2165.1000110.2Q212 R219 R220Q212-I216 VanDerWaalsContact O-CB 3.23Å; Q212-I216 WeakPolarHBondContact O-CB 3.35Å; Q212-I216 WeakPolarHBondContact O-CD1 3.37Å; Q212-I216 WeakPolarHBondContact O-CG1 3.27Å; Q212-I216 PolarHBondContact O-N 3Å; I216-R219 PolarHBondContact O-N 3.32Å; I216-R220 WeakPolarHBondContact O-CB 3.36Å; I216-R220 WeakPolarHBondContact O-CG 3.48Å; I216-R220 PolarHBondContact O-N 2.91Å
217S51.1Low54.3Low52 Ų52101.2 Ų101.236%0.36450%0.5SS..Hα-helixtrans-66.8-41.7175.965.50000110.8Y213 Q214 R219 R220 T221Y213-S217 WeakPolarHBondContact O-CA 3.44Å; Y213-S217 WeakPolarHBondContact O-CB 3.45Å; Y213-S217 PolarHBondContact O-N 2.83Å; Y213-S217 PolarHBondContact O-OG 3.07Å; Q214-S217 WeakPolarHBondContact CA-OG 3.25Å; Q214-S217 PolarHBondContact O-N 3.38Å; Q214-S217 PolarHBondContact O-OG 3.32Å; S217-R219 VanDerWaalsContact C-N 3.34Å; S217-R219 PolarHBondContact O-N 2.82Å; S217-R220 CarbonylContact O-C 3.56Å; S217-R220 PolarHBondContact O-N 2.78Å; S217-T221 WeakPolarHBondContact O-CG2 3.39Å; S217-T221 PolarHBondContact O-N 3.17Å; S217-T221 PolarHBondContact O-OG1 3.11Å
218N48.9Very low55.5Low95 Ų95101.8 Ų101.851%0.50850%0.502SS..Hα-helixtrans-65.2-37.3175-71.8-9.3000111.9Q214 T221 N222Q214-N218 WeakPolarHBondContact O-CB 3.47Å; Q214-N218 PolarHBondContact O-N 3Å; Q214-N218 PolarHBondContact O-ND2 3.43Å; Q214-N218 PolarHBondContact O-OD1 3.31Å; N218-T221 VanDerWaalsContact CA-OG1 3.31Å; N218-T221 WeakPolarHBondContact CA-OG1 3.29Å; N218-T221 PolarHBondContact O-OG1 3.09Å; N218-N222 WeakPolarHBondContact O-CB 3.32Å; N218-N222 PolarHBondContact O-N 3.14Å
219R54.1Low56.7Low161 Ų161106 Ų10661%0.60852%0.516SS*.Hα-helixtrans-66.8-42.6172.7-168.2-178.7-77.7168.2-6.1110.9I215 I216 S217 N222 E223I215-R219 VanDerWaalsContact O-CB 3.3Å; I215-R219 WeakPolarHBondContact O-CB 3.42Å; I215-R219 PolarHBondContact O-N 3.29Å; I216-R219 PolarHBondContact O-N 3.32Å; S217-R219 VanDerWaalsContact C-N 3.34Å; S217-R219 PolarHBondContact O-N 2.82Å; R219-N222 PolarHBondContact O-N 3.44Å; R219-E223 WeakPolarHBondContact O-CB 3.38Å; R219-E223 WeakPolarHBondContact O-CG 3.48Å; R219-E223 PolarHBondContact O-N 3.28Å
220R52.3Low58.2Low147 Ų147102.9 Ų102.956%0.55551%0.51SS*.Hα-helixtrans-65.1-38.6174.6-74.9-174.1-138.4-170.16.4112.3I216 S217 N222 E223 N224I216-R220 WeakPolarHBondContact O-CB 3.36Å; I216-R220 WeakPolarHBondContact O-CG 3.48Å; I216-R220 PolarHBondContact O-N 2.91Å; S217-R220 CarbonylContact O-C 3.56Å; S217-R220 PolarHBondContact O-N 2.78Å; R220-N222 VanDerWaalsContact C-N 3.33Å; R220-E223 PolarHBondContact O-N 2.91Å; R220-N224 WeakPolarHBondContact O-CB 3.39Å; R220-N224 VanDerWaalsContact O-CG 3.22Å; R220-N224 PolarHBondContact O-N 3.42Å; R220-N224 PolarHBondContact O-ND2 2.84Å
221T55.8Low59.9Low82 Ų82106.8 Ų106.850%0.50352%0.517SS..Hα-helixtrans-67.6-36.8175.3530000110.9S217 N218 Y225S217-T221 WeakPolarHBondContact O-CG2 3.39Å; S217-T221 PolarHBondContact O-N 3.17Å; S217-T221 PolarHBondContact O-OG1 3.11Å; N218-T221 VanDerWaalsContact CA-OG1 3.31Å; N218-T221 WeakPolarHBondContact CA-OG1 3.29Å; N218-T221 PolarHBondContact O-OG1 3.09Å; T221-Y225 VanDerWaalsContact O-CB 3.23Å; T221-Y225 WeakPolarHBondContact O-CB 3.24Å; T221-Y225 PolarHBondContact O-N 3.17Å
222N53.2Low61.4Low101 Ų101110.7 Ų110.754%0.5453%0.527SS..Hα-helixtrans-67.7-42.7173.4-82.4-20.7000112.8N218 R219 R220 Y225 S226N218-N222 WeakPolarHBondContact O-CB 3.32Å; N218-N222 PolarHBondContact O-N 3.14Å; R219-N222 PolarHBondContact O-N 3.44Å; R220-N222 VanDerWaalsContact C-N 3.33Å; N222-Y225 PolarHBondContact O-N 2.94Å; N222-S226 WeakPolarHBondContact O-CB 3.47Å; N222-S226 PolarHBondContact O-N 2.96Å
223E58.4Low62.9Low112 Ų112111 Ų11152%0.52353%0.53SS..Hα-helixtrans-64.9-42.8173.6-75.4-179.8-174.900111.2R219 R220 Y225 S226 L227R219-E223 WeakPolarHBondContact O-CB 3.38Å; R219-E223 WeakPolarHBondContact O-CG 3.48Å; R219-E223 PolarHBondContact O-N 3.28Å; R220-E223 PolarHBondContact O-N 2.91Å; E223-Y225 PolarHBondContact O-N 3.04Å; E223-S226 PolarHBondContact O-N 3.25Å; E223-L227 VanDerWaalsContact O-CB 3.28Å; E223-L227 WeakPolarHBondContact O-CB 3.42Å; E223-L227 VanDerWaalsContact O-CG 3.23Å; E223-L227 WeakPolarHBondContact O-CG 3.31Å; E223-L227 PolarHBondContact O-N 3.04Å
224N64.3Low64.6Low98 Ų98108.6 Ų108.652%0.52453%0.526SS..Hα-helixtrans-63.6-39.6174.2-78.9-53.7000111.8R220 Q228R220-N224 WeakPolarHBondContact O-CB 3.39Å; R220-N224 VanDerWaalsContact O-CG 3.22Å; R220-N224 PolarHBondContact O-N 3.42Å; R220-N224 PolarHBondContact O-ND2 2.84Å; N224-Q228 WeakPolarHBondContact O-CB 3.34Å; N224-Q228 PolarHBondContact O-N 3.04Å
225Y59.7Low66.3Low158 Ų158106.1 Ų106.162%0.6252%0.522SS*.Hα-helixtrans-66.3-41.6175.5-174.4-101.1000111.6T221 N222 E223 Q228 K229T221-Y225 VanDerWaalsContact O-CB 3.23Å; T221-Y225 WeakPolarHBondContact O-CB 3.24Å; T221-Y225 PolarHBondContact O-N 3.17Å; N222-Y225 PolarHBondContact O-N 2.94Å; E223-Y225 PolarHBondContact O-N 3.04Å; Y225-Q228 PolarHBondContact O-N 3.41Å; Y225-K229 VanDerWaalsContact O-CB 3.32Å; Y225-K229 WeakPolarHBondContact O-CB 3.31Å; Y225-K229 PolarHBondContact O-N 3.5Å
226S68.5Low67.8Low81 Ų81106.5 Ų106.557%0.56652%0.521SS*.Hα-helixtrans-64.8-46175.2-171.60000111.9N222 E223 K229 G230N222-S226 WeakPolarHBondContact O-CB 3.47Å; N222-S226 PolarHBondContact O-N 2.96Å; E223-S226 PolarHBondContact O-N 3.25Å; S226-K229 PolarHBondContact O-N 3.12Å; S226-G230 PolarHBondContact O-N 3.17Å
227L71Confident69.4Low92 Ų92108.5 Ų108.548%0.48253%0.532SS..Hα-helixtrans-60.1-47.6173.6-75.5168.3000110.7E223 K229 G230 Y231E223-L227 VanDerWaalsContact O-CB 3.28Å; E223-L227 WeakPolarHBondContact O-CB 3.42Å; E223-L227 VanDerWaalsContact O-CG 3.23Å; E223-L227 WeakPolarHBondContact O-CG 3.31Å; E223-L227 PolarHBondContact O-N 3.04Å; L227-K229 VanDerWaalsContact C-N 3.3Å; L227-K229 PolarHBondContact O-N 3.32Å; L227-G230 CarbonylContact O-C 3.58Å; L227-G230 WeakPolarHBondContact O-CA 3.12Å; L227-G230 PolarHBondContact O-N 3.3Å; L227-G230 VanDerWaalsContact O-N 3.11Å; L227-Y231 HydrophobicContact CB-CD2 4.31Å; L227-Y231 HydrophobicContact CB-CE2 4.09Å; L227-Y231 HydrophobicContact CD2-CE2 4.44Å; L227-Y231 WeakPolarHBondContact O-CD2 3.5Å; L227-Y231 PolarHBondContact O-N 3.48Å
228Q72.7Confident71.1Confident136 Ų136111.2 Ų111.264%0.63654%0.542SS*.Hα-helixtrans-61.2-38.6177.8-168.617910.600111.7N224 Y225 K232N224-Q228 WeakPolarHBondContact O-CB 3.34Å; N224-Q228 PolarHBondContact O-N 3.04Å; Y225-Q228 PolarHBondContact O-N 3.41Å; Q228-K232 WeakPolarHBondContact O-CB 3.35Å; Q228-K232 PolarHBondContact O-N 3.04Å
229K76.2Confident72.8Confident136 Ų136112.8 Ų112.859%0.59155%0.547SS*.Hα-helixtrans-65-41.7173.1-171.4177.1-179.6-177.90111.7Y225 S226 L227 K232 M233Y225-K229 VanDerWaalsContact O-CB 3.32Å; Y225-K229 WeakPolarHBondContact O-CB 3.31Å; Y225-K229 PolarHBondContact O-N 3.5Å; S226-K229 PolarHBondContact O-N 3.12Å; L227-K229 VanDerWaalsContact C-N 3.3Å; L227-K229 PolarHBondContact O-N 3.32Å; K229-K232 PolarHBondContact O-N 3.37Å; K229-M233 PolarHBondContact O-N 2.88Å
230G79.7Confident74.2Confident29 Ų29111.3 Ų111.330%0.29955%0.546SS..Hα-helixtrans-62.8-47.7173.800000112.7S226 L227 K232 M233 I234S226-G230 PolarHBondContact O-N 3.17Å; L227-G230 CarbonylContact O-C 3.58Å; L227-G230 WeakPolarHBondContact O-CA 3.12Å; L227-G230 PolarHBondContact O-N 3.3Å; L227-G230 VanDerWaalsContact O-N 3.11Å; G230-K232 VanDerWaalsContact C-N 3.32Å; G230-K232 PolarHBondContact O-N 3.44Å; G230-M233 PolarHBondContact O-N 3.06Å; G230-I234 WeakPolarHBondContact O-CG1 3.41Å; G230-I234 PolarHBondContact O-N 3.28Å
231Y85.5Confident75.7Confident161 Ų161109.4 Ų109.463%0.63155%0.546SS*.Hα-helixtrans-60.8-39.7176-74.3-62.1000112.1L227 S235L227-Y231 HydrophobicContact CB-CD2 4.31Å; L227-Y231 HydrophobicContact CB-CE2 4.09Å; L227-Y231 HydrophobicContact CD2-CE2 4.44Å; L227-Y231 WeakPolarHBondContact O-CD2 3.5Å; L227-Y231 PolarHBondContact O-N 3.48Å; Y231-S235 VanDerWaalsContact O-CB 3.31Å; Y231-S235 WeakPolarHBondContact O-CB 3.28Å; Y231-S235 PolarHBondContact O-N 2.82Å
232K81.7Confident77Confident136 Ų136116.2 Ų116.259%0.59156%0.562SS**Hα-helixtrans-62.9-46.1175.1-171.3179178.3-173.90111.7Q228 K229 G230 I234 S235 E236Q228-K232 WeakPolarHBondContact O-CB 3.35Å; Q228-K232 PolarHBondContact O-N 3.04Å; K229-K232 PolarHBondContact O-N 3.37Å; G230-K232 VanDerWaalsContact C-N 3.32Å; G230-K232 PolarHBondContact O-N 3.44Å; K232-I234 PolarHBondContact O-N 3.27Å; K232-S235 PolarHBondContact O-N 2.99Å; K232-E236 WeakPolarHBondContact CE-OE1 3.34Å; K232-E236 WeakPolarHBondContact O-CG 3.01Å; K232-E236 PolarHBondContact O-N 2.76Å
233M84.5Confident78.7Confident120 Ų120116.6 Ų116.659%0.59157%0.569SS**Hα-helixtrans-61.8-44.6178-174-169.8-65.300112.1K229 G230 S235 E236 L237K229-M233 PolarHBondContact O-N 2.88Å; G230-M233 PolarHBondContact O-N 3.06Å; M233-S235 VanDerWaalsContact C-N 3.35Å; M233-E236 PolarHBondContact O-N 3.2Å; M233-L237 WeakPolarHBondContact O-CB 3.46Å; M233-L237 PolarHBondContact O-N 3.12Å
234I85.1Confident79.4Confident99 Ų99117.8 Ų117.851%0.50859%0.589SS.*Hα-helixtrans-64.3-42.6177.3-66.4167.2000110.4G230 K232 E236 L237 L238G230-I234 WeakPolarHBondContact O-CG1 3.41Å; G230-I234 PolarHBondContact O-N 3.28Å; K232-I234 PolarHBondContact O-N 3.27Å; I234-E236 PolarHBondContact O-N 2.97Å; I234-L237 PolarHBondContact O-N 2.99Å; I234-L238 HydrophobicContact CG2-CD1 3.93Å; I234-L238 HydrophobicContact CG2-CG 4.34Å; I234-L238 WeakPolarHBondContact O-CB 3.34Å; I234-L238 VanDerWaalsContact O-CG 3.29Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; I234-L238 PolarHBondContact O-N 2.8Å
235S83.6Confident80.1Confident68 Ų68118.8 Ų118.848%0.47659%0.592SS.*Hα-helixtrans-60.8-42.8176.4-173.40000112.2Y231 K232 M233 Q239Y231-S235 VanDerWaalsContact O-CB 3.31Å; Y231-S235 WeakPolarHBondContact O-CB 3.28Å; Y231-S235 PolarHBondContact O-N 2.82Å; K232-S235 PolarHBondContact O-N 2.99Å; M233-S235 VanDerWaalsContact C-N 3.35Å; S235-Q239 WeakPolarHBondContact O-CB 3.45Å; S235-Q239 PolarHBondContact O-N 3.29Å
236E85.1Confident81.2Confident104 Ų104116.7 Ų116.749%0.48659%0.591SS.*Hα-helixtrans-64.6-42.8176.5-74170.1-178.300111.6K232 M233 I234 Q239 H240K232-E236 WeakPolarHBondContact CE-OE1 3.34Å; K232-E236 WeakPolarHBondContact O-CG 3.01Å; K232-E236 PolarHBondContact O-N 2.76Å; M233-E236 PolarHBondContact O-N 3.2Å; I234-E236 PolarHBondContact O-N 2.97Å; E236-Q239 PolarHBondContact O-N 2.84Å; E236-H240 PolarHBondContact O-N 3.31Å
237L85.4Confident81.9Confident110 Ų110118.7 Ų118.758%0.57659%0.592SS**Hα-helixtrans-63.6-44177.7-157.9104.6000111.6M233 I234 Q239 H240 I241M233-L237 WeakPolarHBondContact O-CB 3.46Å; M233-L237 PolarHBondContact O-N 3.12Å; I234-L237 PolarHBondContact O-N 2.99Å; L237-Q239 VanDerWaalsContact C-N 3.32Å; L237-Q239 PolarHBondContact O-N 2.93Å; L237-H240 PolarHBondContact O-N 3.1Å; L237-I241 HydrophobicContact CD2-CD1 4.11Å; L237-I241 HydrophobicContact CG-CD1 4.49Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.42Å; L237-I241 PolarHBondContact O-N 3.01Å
238L87.8Confident82.5Confident109 Ų109120.2 Ų120.257%0.57160%0.599SS**Hα-helixtrans-65-36.5176.2-71.6173.3000112I234 R242I234-L238 HydrophobicContact CG2-CD1 3.93Å; I234-L238 HydrophobicContact CG2-CG 4.34Å; I234-L238 WeakPolarHBondContact O-CB 3.34Å; I234-L238 VanDerWaalsContact O-CG 3.29Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; I234-L238 PolarHBondContact O-N 2.8Å; L238-R242 WeakPolarHBondContact O-CB 3.46Å; L238-R242 PolarHBondContact O-N 3.16Å; L238-R242 VanDerWaalsContact O-N 3.12Å
239Q83.6Confident83.2Confident129 Ų129119.3 Ų119.360%0.60360%0.597SS**Hα-helixtrans-67.2-40175.5-166.7166.63.500111.2S235 E236 L237 R242 T243S235-Q239 WeakPolarHBondContact O-CB 3.45Å; S235-Q239 PolarHBondContact O-N 3.29Å; E236-Q239 PolarHBondContact O-N 2.84Å; L237-Q239 VanDerWaalsContact C-N 3.32Å; L237-Q239 PolarHBondContact O-N 2.93Å; Q239-R242 PolarHBondContact O-N 3.18Å; Q239-T243 WeakPolarHBondContact O-CG2 3.45Å; Q239-T243 PolarHBondContact O-N 3.27Å; Q239-T243 VanDerWaalsContact O-N 3.13Å; Q239-T243 PolarHBondContact O-OG1 3.17Å
240H83.1Confident83.6Confident129 Ų129118.1 Ų118.160%0.59760%0.597SS**Hα-helixtrans-65.4-41.2176.5-16468.6000112.9E236 L237 R242 T243 S244E236-H240 PolarHBondContact O-N 3.31Å; L237-H240 PolarHBondContact O-N 3.1Å; H240-R242 VanDerWaalsContact C-N 3.27Å; H240-R242 PolarHBondContact O-N 2.88Å; H240-T243 PolarHBondContact O-N 2.92Å; H240-T243 PolarHBondContact O-OG1 3.12Å; H240-S244 PolarHBondContact O-N 3.07Å; H240-S244 PolarHBondContact O-OG 3.37Å
241I85.4Confident83.9Confident108 Ų108124.5 Ų124.555%0.55462%0.618SS**Hα-helixtrans-63.4-35.4174.8-67.5164.9000110.9L237L237-I241 HydrophobicContact CD2-CD1 4.11Å; L237-I241 HydrophobicContact CG-CD1 4.49Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.42Å; L237-I241 PolarHBondContact O-N 3.01Å
242R83.1Confident83.8Confident224 Ų224121.7 Ų121.785%0.84562%0.617SS**Hα-helixtrans-75-26.7-179.9-169.6174.6-176.1173.62.2113.5L238 Q239 H240L238-R242 WeakPolarHBondContact O-CB 3.46Å; L238-R242 PolarHBondContact O-N 3.16Å; L238-R242 VanDerWaalsContact O-N 3.12Å; Q239-R242 PolarHBondContact O-N 3.18Å; H240-R242 VanDerWaalsContact C-N 3.27Å; H240-R242 PolarHBondContact O-N 2.88Å
243T87.9Confident84Confident110 Ų110120.5 Ų120.568%0.67562%0.619SS**Hα-helixtrans-95.8-5.7-17955.80000114.5Q239 H240Q239-T243 WeakPolarHBondContact O-CG2 3.45Å; Q239-T243 PolarHBondContact O-N 3.27Å; Q239-T243 VanDerWaalsContact O-N 3.13Å; Q239-T243 PolarHBondContact O-OG1 3.17Å; H240-T243 PolarHBondContact O-N 2.92Å; H240-T243 PolarHBondContact O-OG1 3.12Å
244S72.9Confident83.9Confident136 Ų136120.5 Ų120.595%0.95162%0.622SS**  trans-95.20175.8-54.50000110.7H240H240-S244 PolarHBondContact O-N 3.07Å; H240-S244 PolarHBondContact O-OG 3.37Å

Retrieved 244 of 244 residues in 60.3 ms (Link to these results)