A0A087X7D9_POEFO Loading...

Nuclear factor, erythroid 2

AlphaFold DB , UniProt , Accession A0A087X7D9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 481 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
1M40.1Very low37Very low243 Ų243153.3 Ų153.3100%1.19786%0.864SS**  0116.80-66.5-1807400107.1
2C34.6Very low36.8Very low126 Ų126160 Ų16085%0.85187%0.865SS**  trans-61163.9177.1-44.70000110.3
3S32.4Very low36.5Very low118 Ų118165.8 Ų165.883%0.82587%0.867SS**  cis-167.9163.119.7-131.80000110.3
4T42.7Very low36.2Very low133 Ų133163.1 Ų163.182%0.81686%0.861SS**  trans-93.4158-178.9-34.90000112.8
5A40.2Very low35.7Very low71 Ų71159.6 Ų159.659%0.58785%0.853SS**  trans73.1125.6144.600000121.5
6N33.7Very low35.6Very low164 Ų164162.1 Ų162.188%0.87786%0.858SS**  167.514695-92-54.4000114.1
7Y36.3Very low35.3Very low220 Ų220159.6 Ų159.686%0.86385%0.851SS**  trans-68150.1168-89.1-101.2000113
8V32.8Very low35Very low146 Ų146158.1 Ų158.189%0.88585%0.848SS**  trans-158.4130.7145172.70000111.3
9L38.1Very low34.8Very low161 Ų161154.5 Ų154.584%0.84384%0.842SS**  trans-74.6161.8167-70.2157.1000112.4
10P43.8Very low34.8Very low130 Ų130153.3 Ų153.384%0.84484%0.84SS**  trans-110.5139154.123.2-6.5000114.1
11L32.4Very low35.4Very low174 Ų174152.3 Ų152.391%0.91184%0.841SS**  trans-91.5159.2179.8-150.583.3000111.5
12R34Very low34.9Very low234 Ų234144.3 Ų144.388%0.88382%0.821SS**  trans-53.8157.2174.2-71.2-163.4168-164.2-0.8116.8
13R33Very low34.9Very low236 Ų236149 Ų14989%0.89182%0.821SS**  trans159.6151.6133.4-92.6-170.7-179.9158.60.4108.4
14T32.1Very low35Very low128 Ų128149.7 Ų149.779%0.78582%0.815SS**  cis-168.8156.1-5.817.10000106.4
15C29.7Very low34.5Very low110 Ų110149.6 Ų149.674%0.74382%0.818SS**  trans-72.8142.3174.6-164.70000111.4
16E33.2Very low34.2Very low199 Ų199150.3 Ų150.393%0.9383%0.832SS**  trans-149.4135.3143.9-77.8-154.9158.400111.3
17V31.4Very low34.2Very low121 Ų121145.8 Ų145.873%0.73383%0.825SS**  trans-90.4154175.2167.90000108
18V30Very low34.4Very low131 Ų131144 Ų14479%0.79483%0.829SS**  trans159.2121.7131.5162.10000112.8
19A31.6Very low34.9Very low90 Ų90142.8 Ų142.874%0.74482%0.824SS**  trans56.8128.1142.100000123.7
20T34.5Very low35.1Very low130 Ų130143.4 Ų143.480%0.79883%0.825SS**  trans-63.7163.3153.749.70000111.9
21P47.5Very low35.1Very low134 Ų134143 Ų14387%0.8782%0.823SS**  -150160.186.135.8-16.3000116.2
22G29.8Very low35.2Very low75 Ų75139.1 Ų139.177%0.77382%0.815SS**  trans123.794.3139.600000120.5
23R33.7Very low35.1Very low223 Ų223135.4 Ų135.484%0.84281%0.813SS**  trans61.4130.7134.9-92.4-170.8-176.4-123.2-1123.9
24L34Very low35Very low134 Ų134133.9 Ų133.970%0.70281%0.813SS**  trans74.6105.1138.1-64.9167.9000119.5
25C33.8Very low35Very low130 Ų130135.9 Ų135.988%0.87882%0.819SS**  168.4150.9104.4-100.60000110.7
26G33.7Very low35.1Very low86 Ų86133.9 Ų133.989%0.88782%0.817SS**  trans-65.8160.6-167.700000116.6
27G33Very low35.1Very low70 Ų70131.2 Ų131.272%0.72281%0.814SS**  trans160.3105.617300000108.9P29G27-P29 WeakPolarHBondContact O-CD 3.32Å
28L40.9Very low35.4Very low182 Ų182136.8 Ų136.895%0.95382%0.822SS**  trans-62.5136.8166.5-69.8162.3000109.1
29P42.2Very low35.9Very low121 Ų121135.8 Ų135.879%0.78682%0.818SS**  trans-123.2134149.525.8-7.2000111.1G27G27-P29 WeakPolarHBondContact O-CD 3.32Å
30M42.8Very low36.4Very low174 Ų174140.8 Ų140.886%0.85783%0.826SS**PPolyproline II helixtrans-53.4144.2170.4-62-76.8-86.700111.2A32M30-A32 PolarHBondContact O-N 3.48Å
31P44.1Very low36.8Very low122 Ų122137.6 Ų137.679%0.79282%0.819SS**PPolyproline II helixtrans-78.8117.1174.730-29.8000110.5
32A35.3Very low37.1Very low91 Ų91134.5 Ų134.575%0.75280%0.799SS**PPolyproline II helixtrans-78.6126.8160.400000109M30 F34M30-A32 PolarHBondContact O-N 3.48Å; A32-F34 PolarHBondContact O-N 2.69Å
33N31.7Very low38.2Very low156 Ų156135.1 Ų135.183%0.83479%0.789SS**PPolyproline II helixtrans-66.8123.3170.5-80.5-28.3000110.5
34F30.6Very low39.3Very low205 Ų205132.2 Ų132.290%0.89979%0.785SS**  trans-135134.6151.7-96.6-80.6000110A32A32-F34 PolarHBondContact O-N 2.69Å
35N30.9Very low40.3Very low169 Ų169131.3 Ų131.390%0.90478%0.781SS**  trans-75.1139.1-178.5-77.2-24.2000112.3
36G33.3Very low41.6Very low69 Ų69130 Ų13071%0.71176%0.763SS**  trans137.7124.9154.300000114.3
37V32.8Very low43.4Very low142 Ų142131.8 Ų131.886%0.86175%0.748SS**  trans94.697.3175.7-166.20000114.3P39V37-P39 WeakPolarHBondContact O-CD 3.37Å
38R36.3Very low45Very low238 Ų238133.3 Ų133.390%0.89874%0.738SS**PPolyproline II helixtrans-81.3116.9170-144.4-174.1-159.4-161.14.4108
39P40.6Very low46.8Very low111 Ų111129.6 Ų129.672%0.72172%0.719SS**PPolyproline II helixtrans-73.9140164.4-6.624.5000108.3V37 G41V37-P39 WeakPolarHBondContact O-CD 3.37Å; P39-G41 PolarHBondContact O-N 3.46Å
40H43Very low48.4Very low194 Ų194129.4 Ų129.490%0.89871%0.709SS**PPolyproline II helixtrans-49.9127.2172.7-75.3-85.7000110.4
41G42.6Very low50.1Low63 Ų63123.3 Ų123.365%0.64969%0.686SS**PPolyproline II helixtrans-60.9155174.700000111.4P39P39-G41 PolarHBondContact O-N 3.46Å
42P54Low51.4Low70 Ų70124.8 Ų124.846%0.45568%0.676SS.*PPolyproline II helixtrans-63.1157.1177.629.6-32.8000110.2Q44 M46P42-Q44 PolarHBondContact O-N 3.45Å; P42-M46 HydrophobicContact CB-CB 4.39Å; P42-M46 HydrophobicContact CB-SD 4.26Å
43P53.7Low53.3Low88 Ų88127.3 Ų127.357%0.57167%0.673SS**PPolyproline II helixtrans-58.2138.7176.125.8-32.4000109.2D45 M46P43-D45 PolarHBondContact O-N 3.21Å; P43-M46 HydrophobicContact CG-CG 4.34Å; P43-M46 HydrophobicContact CG-SD 4.29Å; P43-M46 PolarHBondContact O-N 3.05Å
44Q56.7Low55.6Low161 Ų161126.9 Ų126.975%0.75267%0.665SS**Hα-helixtrans-50.8-20-175.1-150.2163.421.600114.3P42 M48P42-Q44 PolarHBondContact O-N 3.45Å; Q44-M48 PolarHBondContact O-N 3.08Å
45D55.3Low57.6Low115 Ų115121.8 Ų121.862%0.61565%0.647SS**Hα-helixtrans-64.9-40.2171.9-101.7-3.7000113.6P43 E47 M48 D49P43-D45 PolarHBondContact O-N 3.21Å; D45-E47 VanDerWaalsContact C-N 3.34Å; D45-E47 PolarHBondContact O-N 3.47Å; D45-M48 PolarHBondContact O-N 2.9Å; D45-D49 PolarHBondContact O-N 3.42Å
46M61.1Low59.1Low103 Ų103120.7 Ų120.751%0.50764%0.638SS.*Hα-helixtrans-70.3-32.3-177-78.5-17961.300112.3P42 P43 M48 M50P42-M46 HydrophobicContact CB-CB 4.39Å; P42-M46 HydrophobicContact CB-SD 4.26Å; P43-M46 HydrophobicContact CG-CG 4.34Å; P43-M46 HydrophobicContact CG-SD 4.29Å; P43-M46 PolarHBondContact O-N 3.05Å; M46-M48 VanDerWaalsContact C-N 3.34Å; M46-M50 WeakPolarHBondContact O-CB 3.43Å; M46-M50 PolarHBondContact O-N 2.92Å; M46-M50 VanDerWaalsContact O-N 3.14Å
47E71.6Confident60.7Low124 Ų124120.6 Ų120.658%0.57963%0.631SS**Hα-helixtrans-69.8-34.7173.6-79-178.316300111.4D45 A51D45-E47 VanDerWaalsContact C-N 3.34Å; D45-E47 PolarHBondContact O-N 3.47Å; E47-A51 WeakPolarHBondContact O-CB 3.43Å; E47-A51 PolarHBondContact O-N 2.88Å
48M65.9Low62.3Low101 Ų101118.4 Ų118.450%0.49861%0.613SS.*Hα-helixtrans-69.3-45.4178-161.2178.2-44.900111.5Q44 D45 M46 M50 A51 W52Q44-M48 PolarHBondContact O-N 3.08Å; D45-M48 PolarHBondContact O-N 2.9Å; M46-M48 VanDerWaalsContact C-N 3.34Å; M48-M50 VanDerWaalsContact C-N 3.29Å; M48-M50 PolarHBondContact O-N 3.46Å; M48-A51 PolarHBondContact O-N 3.23Å; M48-W52 PolarHBondContact O-N 3.2Å
49D77.8Confident63.3Low104 Ų104112.6 Ų112.656%0.55660%0.604SS**Hα-helixtrans-64.4-34.6176.7-82.7-10.5000112.1D45 W52 Q53D45-D49 PolarHBondContact O-N 3.42Å; D49-W52 PolarHBondContact O-N 2.64Å; D49-Q53 WeakPolarHBondContact O-CB 3.25Å; D49-Q53 PolarHBondContact O-N 3.31Å
50M77.1Confident64.2Low118 Ų118114.9 Ų114.958%0.58161%0.605SS**Hα-helixtrans-69.1-41175.9-140.4174.5-64.500111.6M46 M48 Q53 E54M46-M50 WeakPolarHBondContact O-CB 3.43Å; M46-M50 PolarHBondContact O-N 2.92Å; M46-M50 VanDerWaalsContact O-N 3.14Å; M48-M50 VanDerWaalsContact C-N 3.29Å; M48-M50 PolarHBondContact O-N 3.46Å; M50-Q53 PolarHBondContact O-N 2.77Å; M50-E54 WeakPolarHBondContact O-CB 3.24Å; M50-E54 PolarHBondContact O-N 2.88Å
51A77Confident64.4Low46 Ų46113.6 Ų113.638%0.3860%0.604SS.*Hα-helixtrans-66-36.8174.800000112.4E47 M48 E54 L55E47-A51 WeakPolarHBondContact O-CB 3.43Å; E47-A51 PolarHBondContact O-N 2.88Å; M48-A51 PolarHBondContact O-N 3.23Å; A51-E54 PolarHBondContact O-N 2.7Å; A51-L55 WeakPolarHBondContact O-CB 3.29Å; A51-L55 PolarHBondContact O-N 2.81Å
52W73.1Confident64.6Low152 Ų152119.1 Ų119.158%0.57661%0.613SS**Hα-helixtrans-68.4-39.9173.8-80.9116.5000112.5M48 D49 L55 M56M48-W52 PolarHBondContact O-N 3.2Å; D49-W52 PolarHBondContact O-N 2.64Å; W52-L55 HydrophobicContact CE3-CD1 4.3Å; W52-L55 HydrophobicContact CZ3-CD1 4.49Å; W52-L55 PolarHBondContact O-N 2.79Å; W52-M56 WeakPolarHBondContact O-CG 3.31Å; W52-M56 PolarHBondContact O-N 3.5Å; W52-M56 VanDerWaalsContact O-N 3.08Å
53Q74.3Confident64.3Low145 Ų145123.9 Ų123.968%0.67863%0.63SS**Hα-helixtrans-64.7-39.1172.6-90.4178.6-22.400112.3D49 M50 M56 A57D49-Q53 WeakPolarHBondContact O-CB 3.25Å; D49-Q53 PolarHBondContact O-N 3.31Å; M50-Q53 PolarHBondContact O-N 2.77Å; Q53-M56 PolarHBondContact O-N 3.04Å; Q53-A57 WeakPolarHBondContact O-CB 3.39Å; Q53-A57 PolarHBondContact O-N 3.47Å
54E79Confident63.6Low146 Ų146129.4 Ų129.468%0.68265%0.645SS**Hα-helixtrans-64.3-41.9176.1-168.4175.6-178.700111.4M50 A51 M56 A57 I58M50-E54 WeakPolarHBondContact O-CB 3.24Å; M50-E54 PolarHBondContact O-N 2.88Å; A51-E54 PolarHBondContact O-N 2.7Å; E54-M56 VanDerWaalsContact C-N 3.35Å; E54-M56 PolarHBondContact O-N 3.19Å; E54-A57 PolarHBondContact O-N 2.92Å; E54-I58 WeakPolarHBondContact O-CG1 3.45Å
55L72.8Confident63.2Low98 Ų98130.5 Ų130.551%0.51365%0.65SS.*Hα-helixtrans-63.7-35.3174.8-87.2162000113.6A51 W52 I58A51-L55 WeakPolarHBondContact O-CB 3.29Å; A51-L55 PolarHBondContact O-N 2.81Å; W52-L55 HydrophobicContact CE3-CD1 4.3Å; W52-L55 HydrophobicContact CZ3-CD1 4.49Å; W52-L55 PolarHBondContact O-N 2.79Å; L55-I58 HydrophobicContact CD2-CD1 4.42Å
56M63Low62.2Low146 Ų146130.9 Ų130.972%0.71966%0.656SS**Hα-helixtrans-80.9-16.7177.1-66.1-62.1103.800113.1W52 Q53 E54W52-M56 WeakPolarHBondContact O-CG 3.31Å; W52-M56 PolarHBondContact O-N 3.5Å; W52-M56 VanDerWaalsContact O-N 3.08Å; Q53-M56 PolarHBondContact O-N 3.04Å; E54-M56 VanDerWaalsContact C-N 3.35Å; E54-M56 PolarHBondContact O-N 3.19Å
57A67.9Low61.1Low68 Ų68135 Ų13556%0.56267%0.674SS**THydrogen-bonded Turntrans-86.1-5178.300000113.7Q53 E54 T59Q53-A57 WeakPolarHBondContact O-CB 3.39Å; Q53-A57 PolarHBondContact O-N 3.47Å; E54-A57 PolarHBondContact O-N 2.92Å; A57-T59 PolarHBondContact O-N 3.27Å
58I65.3Low59.2Low95 Ų95134.8 Ų134.849%0.48769%0.687SS.*  trans-73.490.3175.3-52.5175.8000108.9E54 L55 E60E54-I58 WeakPolarHBondContact O-CG1 3.45Å; L55-I58 HydrophobicContact CD2-CD1 4.42Å; I58-E60 HydrophobicContact CG2-CB 4.16Å; I58-E60 PolarHBondContact O-N 2.89Å
59T58.2Low57.9Low116 Ų116133.2 Ų133.271%0.71270%0.697SS**G310 helixtrans-78.82.9174.647.10000113.7A57 L61 Q62A57-T59 PolarHBondContact O-N 3.27Å; T59-L61 PolarHBondContact O-N 2.97Å; T59-Q62 PolarHBondContact O-N 3.36Å
60E58Low55.7Low159 Ų159135.8 Ų135.874%0.74371%0.71SS**G310 helixtrans-78.22.5-175.1-62.7-170.4177.200114.7I58 Q62I58-E60 HydrophobicContact CG2-CB 4.16Å; I58-E60 PolarHBondContact O-N 2.89Å; E60-Q62 VanDerWaalsContact C-N 3.35Å
61L47.5Very low53.7Low167 Ų167136.1 Ų136.187%0.87472%0.724SS**G310 helixtrans-88.92.4170.9-73.2171.4000113.9T59T59-L61 PolarHBondContact O-N 2.97Å
62Q47.7Very low51.6Low179 Ų179144.1 Ų144.184%0.83675%0.746SS**G310 helixtrans-95.65.4175.1-163.9144.733.200114T59 E60T59-Q62 PolarHBondContact O-N 3.36Å; E60-Q62 VanDerWaalsContact C-N 3.35Å
63E47.3Very low49.6Very low171 Ų171145.3 Ų145.380%0.79976%0.758SS**SBendtrans-104.27.2-176.2-143.3173.7-165.800115.1
64F39.3Very low47.9Very low203 Ų203143.3 Ų143.389%0.8977%0.766SS**  trans-109.863.6167.7-93.2-85000111.6
65E47.3Very low45.7Very low184 Ų184140.4 Ų140.486%0.8677%0.767SS**  trans-104.593.1162.9-150178.6-153.400108.7
66V36.1Very low44Very low124 Ų124143.8 Ų143.875%0.75278%0.78SS**  trans-126.2102.6169.1176.70000109.9
67Q37.7Very low42.3Very low188 Ų188146.1 Ų146.188%0.87978%0.782SS**  trans2994.3147.8-70.81709.800117.5
68S30.8Very low40.8Very low121 Ų121151 Ų15185%0.84679%0.793SS**  trans-111.5103.7137.457.80000107.7N70S68-N70 PolarHBondContact O-N 3.44Å
69G39.2Very low39.8Very low68 Ų68151 Ų15170%0.70180%0.799SS**  trans-66.8119.9168.900000108.4
70N30.1Very low38.6Very low158 Ų158154 Ų15485%0.84581%0.807SS**  trans-152.7105.1145.6-85.7-23.9000107S68 Y72S68-N70 PolarHBondContact O-N 3.44Å; N70-Y72 PolarHBondContact O-N 3.4Å
71S36.7Very low37.6Very low125 Ų125155 Ų15587%0.87481%0.812SS**  trans-54.5124.7166.8177.20000109.7
72Y31.6Very low37.4Very low214 Ų214152.3 Ų152.384%0.83981%0.805SS**  -164.2156127.866.1-85.7000111.4N70N70-Y72 PolarHBondContact O-N 3.4Å
73E31.5Very low37.1Very low177 Ų177153 Ų15383%0.82781%0.811SS**  trans-84.1142.4-152.9-170.9168.5174.200113.2
74A39.1Very low36.6Very low102 Ų102149.5 Ų149.584%0.84381%0.811SS**  trans-82.3117.6171.500000110
75A33Very low37Very low85 Ų85145.9 Ų145.970%0.70281%0.808SS**  trans-142.9102.1161.300000111.8
76H35.9Very low36.3Very low169 Ų169142.3 Ų142.378%0.78281%0.809SS**  trans48.9113.6134.2-75.5-90.2000122.1
77Y28.9Very low36.1Very low196 Ų196139.7 Ų139.777%0.76981%0.808SS**  68.8110.4127.7-89-99.9000122.2
78Q35.4Very low35.6Very low169 Ų169138.7 Ų138.779%0.7980%0.803SS**  81.7161120-102.8-145.70.100121.2
79P44.1Very low35.7Very low95 Ų95141.9 Ų141.962%0.61780%0.802SS**  -126.7171.4-108.937.4-18.2000115.9
80M32.5Very low35.3Very low179 Ų179141.9 Ų141.988%0.88280%0.802SS**  trans61.2121.6155.4-80.2-97161.100119.2
81Q38.9Very low35.6Very low180 Ų180142.2 Ų142.284%0.84180%0.8SS**  164.9173.5103-122.1-166.6900111.9
82P42Very low35.3Very low112 Ų112141.9 Ų141.973%0.72779%0.793SS**  -117.6175.1-117.535.6-15.3000116.2
83M41.3Very low35.4Very low194 Ų194140.1 Ų140.196%0.95679%0.792SS**  trans-32.4143.8-179.4-79.2176.8163.900119.4
84A37.2Very low35.2Very low97 Ų97136.1 Ų136.180%0.80278%0.784SS**  trans-157.2160.7139.400000110.9
85P47.3Very low34.8Very low127 Ų127140.3 Ų140.383%0.82579%0.786SS**  trans-100.7157.8-143.938.5-35000114.5
86A33.5Very low34.6Very low108 Ų108140.9 Ų140.989%0.89379%0.785SS**  trans-106.6115.7171.900000110.6
87G30.8Very low34.4Very low70 Ų70141.5 Ų141.572%0.72279%0.788SS**  trans-91.7147161.500000111.5
88E27.9Very low35.7Very low167 Ų167136.8 Ų136.878%0.7878%0.781SS**  trans75.1148.1133.5-138.1169.4-164.100122.3
89F32.7Very low36.6Very low188 Ų188134.1 Ų134.183%0.82578%0.778SS**  trans82.2127.9175.5-54-77.4000117
90G31.2Very low36.2Very low68 Ų68134.3 Ų134.370%0.70179%0.788SS**  cis171.6160.8-0.800000112.3
91M35.9Very low36.1Very low164 Ų164130.1 Ų130.181%0.80878%0.782SS**  trans81112.7146.1-59.7-58.6175.800123.5
92T31.6Very low35.8Very low118 Ų118126.4 Ų126.472%0.72478%0.782SS**  trans67.1142.8130.962.80000118.5
93Q32.5Very low35.4Very low177 Ų177125.3 Ų125.383%0.82778%0.783SS**  cis-163.5159.734.7-145.3171.358.100110.9
94S28.4Very low34.8Very low93 Ų93120.6 Ų120.665%0.6577%0.774SS**  trans-66.5157.5-174.241.40000118.5
95H29.2Very low34.5Very low191 Ų191121.5 Ų121.588%0.88477%0.773SS**  trans-159.4160133.6-95.4-67.7000111.9
96S29.9Very low33.7Very low96 Ų96124.2 Ų124.267%0.67178%0.775SS**  trans-111.5137.9-143.942.80000116.1
97E32Very low33.5Very low183 Ų183126.5 Ų126.586%0.85577%0.771SS**  55170.7124.4-121.1-160.4135.300122.3
98P55.4Low33.4Very low96 Ų96128 Ų12862%0.62377%0.771SS**  -130.6-140.3-88.245.9-27.1000112.1
99P55.3Low33.5Very low113 Ų113126 Ų12673%0.73477%0.77SS**  cis-142.4169.4-10.733.4-9.9000119.9
100A34.4Very low33.5Very low100 Ų100121 Ų12183%0.82676%0.764SS**  trans35.4143.2133.800000125.7
101A31.7Very low33.4Very low91 Ų91124.8 Ų124.875%0.75277%0.768SS**  trans176125.2131.600000108.9
102A31Very low33.2Very low101 Ų101122.8 Ų122.884%0.83577%0.765SS**  60.6136.578.400000112.1
103A34.5Very low33Very low90 Ų90127.8 Ų127.874%0.74477%0.772SS**  cis-173167.315.400000109.7
104A28.8Very low33.1Very low94 Ų94127.9 Ų127.978%0.77777%0.773SS**  trans62.6151.4139.800000119.3
105C31.3Very low33.2Very low116 Ų116126.2 Ų126.278%0.78477%0.771SS**  cis-150.3140.523.2-63.70000107.4
106E28.9Very low33.3Very low184 Ų184123.4 Ų123.486%0.8677%0.771SS**  67.5138.974.9-83.4-158.216800118.8
107L30.8Very low33.5Very low156 Ų156130.1 Ų130.182%0.81778%0.783SS**  trans84111.7162.9-117.165.3000118.2
108S29.1Very low33.5Very low101 Ų101126.3 Ų126.371%0.70678%0.777SS**  cis87.6144.837.1-152.60000115.9
109T30.1Very low32.4Very low126 Ų126130.2 Ų130.277%0.77379%0.787SS**  trans87.2110174.666.40000116.9
110A31.3Very low31.5Very low84 Ų84133.8 Ų133.869%0.69479%0.794SS**  65.4119.177.400000111.3
111D29.5Very low31.6Very low146 Ų146134.9 Ų134.978%0.78179%0.79SS**  -170.5148.465.9-107.1-44.7000113.5
112T31.4Very low32.1Very low123 Ų123136.6 Ų136.676%0.75579%0.793SS**  trans48.9113.9130.5-490000122.1
113Y28.1Very low32.2Very low222 Ų222136 Ų13687%0.87179%0.788SS**  trans-156.5128.6142.4-165.9-105.7000112.9
114E34.4Very low32.1Very low180 Ų180138 Ų13884%0.84180%0.795SS**  trans-102.7143.6173.7-176.2-169.4-148.800108.7
115G29.7Very low32.3Very low58 Ų58142.5 Ų142.560%0.59880%0.8SS**  trans176109.4171.500000116.5
116C32Very low32.2Very low132 Ų132149.2 Ų149.289%0.89281%0.808SS**  trans-52.3156.9168-740000115.2
117Y34.3Very low32.4Very low236 Ų236148.4 Ų148.493%0.92581%0.809SS**  trans-130.2120.3161.3-101.7-86.4000111.6
118S31.2Very low32.2Very low103 Ų103146.8 Ų146.872%0.7280%0.802SS**  trans-71.1145.1161.2-550000110
119E32.5Very low32.2Very low179 Ų179149.1 Ų149.184%0.83681%0.806SS**  51.891.463.3-160.9168-160.700116
120E36.3Very low32.2Very low188 Ų188150.4 Ų150.488%0.87981%0.808SS**  trans-158.7140.8153.7-63.7-71.315900109.9
121V38Very low32.4Very low123 Ų123153.2 Ų153.275%0.74582%0.817SS**  trans-103.2164.3-176.8178.20000110.2
122P41.7Very low32.5Very low126 Ų126154.1 Ų154.182%0.81882%0.822SS**  trans-120.8127.5147.922.7-5.1000113.1
123A32.2Very low32.6Very low88 Ų88153.3 Ų153.373%0.72783%0.828SS**  trans-90.3140.8170.600000111.1
124C32.2Very low32.9Very low132 Ų132148.9 Ų148.989%0.89282%0.823SS**  trans-137.8120.6157.9-82.70000110
125H34.3Very low32.6Very low190 Ų190151.2 Ų151.288%0.8883%0.826SS**  trans-56.7141.7173.7-70.1-85.9000113
126R29.5Very low32.5Very low256 Ų256151.7 Ų151.797%0.96683%0.831SS**  trans-149.4137.5140.7-118.6-174.5-166.3-153.24.6113.4
127L32.1Very low32.4Very low167 Ų167153.6 Ų153.687%0.87483%0.832SS**  trans-75.6146.1-167.4-164.173.3000112.3
128N26.2Very low32.2Very low123 Ų123146.3 Ų146.366%0.65882%0.821SS**  trans-52.4145.9166.7-168.719.6000113.1
129N30.1Very low32.1Very low150 Ų150148.8 Ų148.880%0.80283%0.826SS**  trans-177.1120136.9-89.6-12.9000111
130N29.3Very low32Very low152 Ų152144.5 Ų144.581%0.81382%0.816SS**  trans-92140.1161.7-77.7-31.1000109.1
131T36.2Very low31.7Very low143 Ų143143.9 Ų143.988%0.87781%0.813SS**  trans-164.8132.1147.130.10000111
132D31.6Very low31.3Very low166 Ų166145 Ų14589%0.88881%0.814SS**  trans-59.2152169.9-67.5-58.3000114
133A32.1Very low31.4Very low106 Ų106144 Ų14488%0.87681%0.808SS**  trans-168.3143.6139.500000113.2
134V34.3Very low31.4Very low129 Ų129147.7 Ų147.778%0.78281%0.809SS**  trans-87.4170.1-175.1166.40000112.3
135Y28.3Very low31.4Very low229 Ų229153.3 Ų153.390%0.89881%0.812SS**  trans105.5138.5171.9-83.8-98.1000113.6
136G28.7Very low31.2Very low68 Ų68151.4 Ų151.470%0.70181%0.805SS**  cis159.9142900000108.1
137N29.4Very low31.5Very low171 Ų171146 Ų14691%0.91480%0.795SS**  trans-56.8154.2-177.8-112.3-20.2000115.9
138A31.1Very low32.4Very low84 Ų84142.8 Ų142.869%0.69478%0.784SS**  166.5122.6127.700000113.2
139D28Very low32.5Very low155 Ų155144.3 Ų144.383%0.82979%0.79SS**  46.4140.7117.4-74.8-13.1000119.8
140S30Very low32.4Very low89 Ų89142.7 Ų142.762%0.62279%0.786SS**  cis-175.4172.419.9-790000110.6
141Q29.5Very low32.6Very low174 Ų174140.9 Ų140.981%0.81379%0.785SS**  trans97.7106.2147.6-54.1-56.1-19.300121.7
142L30.4Very low32.2Very low146 Ų146143.9 Ų143.976%0.76479%0.789SS**  trans-34.5166.2143.5-91.1149.8000116
143P44.4Very low32.2Very low107 Ų107140.2 Ų140.270%0.69578%0.782SS**  -157.8160.859.736.1-10.9000122.8
144H32Very low32.2Very low164 Ų164143 Ų14376%0.75978%0.777SS**  trans58.3125.7136.5-67.8-54.7000124.7
145R30.9Very low32.9Very low251 Ų251142.4 Ų142.495%0.94778%0.776SS**  -158.7134.5115.3-153.3169-170.3153.12.4113.3
146M31.1Very low32.8Very low149 Ų149136.4 Ų136.473%0.73477%0.767SS**  trans-86.9163.9176.4-56.1172.671.500111.4
147L35.2Very low33.1Very low144 Ų144141.8 Ų141.875%0.75478%0.779SS**  173.6-176.967.1-117.2-166000110
148P51.2Low33.3Very low98 Ų98140.4 Ų140.464%0.63677%0.77SS**  -120.8-172.3-118.346.8-33000116.7
149I27.9Very low33.3Very low156 Ų156144.1 Ų144.180%0.878%0.778SS**  trans-173.8118.2133.2-89.2153.7000112.7
150T29.7Very low33.4Very low115 Ų115145 Ų14571%0.70678%0.78SS**  trans40.8118.7144.271.80000126.8
151S31.6Very low33.4Very low114 Ų114145.5 Ų145.580%0.79779%0.789SS**  68.4111.8116.1-49.50000124
152Q29.5Very low33.3Very low206 Ų206140.5 Ų140.596%0.96378%0.784SS**  -168148.9115.2-123.4174.2-9.800112.4
153A31.5Very low33.5Very low89 Ų89140.7 Ų140.774%0.73679%0.792SS**  trans-112.2135.6-16000000114.9
154Q32.3Very low32.9Very low165 Ų165140.1 Ų140.177%0.77180%0.796SS**  42.6164124.3-60.1-65.2-32.400121.6
155P47.6Very low32.9Very low116 Ų116140.8 Ų140.875%0.75380%0.8SS**  cis-136.2161.92.827.1-3.4000117.2
156S27.1Very low32.9Very low104 Ų104132.5 Ų132.573%0.72779%0.792SS**PPolyproline II helixtrans-98.2138.6161.844.90000111.1
157L35.6Very low33Very low180 Ų180133.1 Ų133.194%0.94279%0.793SS**PPolyproline II helixtrans-80.9143.6-178.8-73.1170.8000113.2
158I32.7Very low32.9Very low143 Ų143134.4 Ų134.473%0.73380%0.799SS**PPolyproline II helixtrans-84.3141.7174.6-63.7153.4000108.8
159N30.5Very low32.2Very low161 Ų161140.7 Ų140.786%0.86181%0.81SS**  trans-163.3143.5130.6-109.45.1000116
160M30.3Very low33.2Very low174 Ų174138 Ų13886%0.85780%0.803SS**  trans-69.6152.9-178.4-73.4-92.6-148.400114.3
161A29.7Very low33.2Very low100 Ų100140.3 Ų140.383%0.82681%0.811SS**  169.5136.2106.600000111.2
162G28.2Very low33.2Very low69 Ų69139.7 Ų139.771%0.71181%0.813SS**  trans-87.5178.4175.800000114.4
163T34.6Very low33.3Very low149 Ų149134.9 Ų134.991%0.91480%0.801SS**  trans162.8151158.432.60000106.1
164A31.4Very low33.3Very low96 Ų96138.2 Ų138.279%0.79381%0.805SS**  cis-158.1138-30.500000104.2
165Q32.8Very low33.2Very low178 Ų178134.9 Ų134.983%0.83280%0.8SS**  trans-71.6134.5175.9-16696.5-2.800110
166G30.3Very low32.6Very low77 Ų77138.6 Ų138.679%0.79481%0.807SS**  trans-139.399.1173.100000111.8
167H32.6Very low32.7Very low162 Ų162137.1 Ų137.175%0.7581%0.809SS**  trans-79133.7170.5-102.3-93000110.8
168I33.5Very low33.3Very low170 Ų170137.6 Ų137.687%0.87281%0.811SS**  trans-140.6128.4152.8-61.7-172.4000109.7
169R36.6Very low33.7Very low231 Ų231135.6 Ų135.687%0.87281%0.81SS**  trans-103.7167.4169.4-115.4-160173.6173.5-1.5110.1
170P49.4Very low34.3Very low99 Ų99140 Ų14064%0.64382%0.815SS**  trans-97.6160-152.838.9-37.9000114.9
171N29.4Very low34.6Very low164 Ų164138.7 Ų138.788%0.87781%0.806SS**  trans168.3127.8136-90.4-18.9000111.1
172A30.9Very low35.2Very low101 Ų101140.3 Ų140.384%0.83580%0.798SS**  trans169.6122131.800000110.8
173S32.6Very low35.7Very low104 Ų104145 Ų14573%0.72781%0.806SS**  trans-57.6150.8163.548.20000113.3
174I30.9Very low35.7Very low159 Ų159145.5 Ų145.582%0.81579%0.791SS**  179.8122.4123.9-85.8150.2000110.5
175S30.2Very low36.2Very low95 Ų95147.4 Ų147.466%0.66479%0.793SS**  trans43124.4144-56.10000124.6
176Q36.3Very low36.4Very low194 Ų194145 Ų14591%0.90779%0.791SS**  64.1113.1125.6-63.6178.6-1.300119.4
177G29.2Very low36.7Very low74 Ų74150 Ų15076%0.76380%0.798SS**  trans-171.485.9160.200000110.4S179G177-S179 PolarHBondContact O-N 2.92Å
178L48.2Very low36.6Very low189 Ų189145.2 Ų145.299%0.9979%0.794SS**  trans-6097.9163.2-92.899.2000108.5
179S40.3Very low36.6Very low101 Ų101145.7 Ų145.771%0.70679%0.792SS**  trans-167.584.9154.6-162.60000109.4G177G177-S179 PolarHBondContact O-N 2.92Å
180R42.3Very low36.1Very low254 Ų254141.8 Ų141.896%0.95879%0.789SS**  trans-119.264.2155.1-82.6-172.8171.8-117.60.7107.3M182R180-M182 PolarHBondContact O-N 3.01Å
181H36.6Very low35.2Very low147 Ų147141.7 Ų141.768%0.68180%0.796SS**  trans-73.9118.6163.7-173.9-92000107.4L183H181-L183 PolarHBondContact O-N 3.07Å
182M42.2Very low35.2Very low134 Ų134142.5 Ų142.566%0.6679%0.794SS**  trans-50.4122.5-179.7-68.8-95.1-92.100110.7R180 W184R180-M182 PolarHBondContact O-N 3.01Å; M182-W184 PolarHBondContact O-N 3.45Å
183L40.3Very low35.3Very low167 Ų167144.3 Ų144.387%0.87479%0.794SS**  trans-74.1107.3167.1-74.6157.6000107.4H181H181-L183 PolarHBondContact O-N 3.07Å
184W34.6Very low35.4Very low159 Ų159150.4 Ų150.460%0.60280%0.801SS**  trans-78.7119.3163.1-69.581.5000107.7M182 F423M182-W184 PolarHBondContact O-N 3.45Å; W184-F423 HydrophobicContact CH2-CE1 4.32Å
185T41.9Very low35.4Very low136 Ų136148.6 Ų148.683%0.83480%0.803SS**  trans-104.6115.7166.546.30000109.1
186T36.2Very low35.7Very low129 Ų129146.8 Ų146.879%0.79180%0.799SS**  trans-105.2119.8169.747.30000109.7
187L36.1Very low35.8Very low180 Ų180145 Ų14594%0.94280%0.796SS**  trans72.9117.6151.7-152.771.8000120.7
188G31.6Very low36Very low63 Ų63149.5 Ų149.565%0.64980%0.802SS**  103.4100.812200000120.7
189Q32.3Very low36.1Very low179 Ų179148.4 Ų148.484%0.83680%0.797SS**  trans81.3133.7140.5-56.8-173.216.700122.8
190N27.6Very low36.1Very low150 Ų150152.6 Ų152.680%0.80281%0.805SS**  trans80.8107.1153.5-66.4-42.7000120.1
191A30Very low36Very low96 Ų96145.7 Ų145.779%0.79380%0.796SS**  -171.1126.8106.700000111.6
192H29.9Very low36.3Very low182 Ų182146.5 Ų146.584%0.84381%0.805SS**  trans-56.4130.8165.3-116.2-72.7000111
193V31.8Very low36.5Very low139 Ų139145 Ų14584%0.84281%0.808SS**  trans-127.3120.6152.5173.90000107.5
194R34.5Very low36.4Very low231 Ų231140.8 Ų140.887%0.87281%0.805SS**  trans-69.9141.3175-69.7-166.9171.6-152.8-0.1110.1
195S31.5Very low36.7Very low122 Ų122141 Ų14185%0.85382%0.817SS**  trans-132.3128.4144.9-168.40000107.2
196G36.6Very low36.7Very low57 Ų57140.4 Ų140.459%0.58882%0.819SS**  trans-80.9171.6-175.800000113.4
197D38.3Very low36.6Very low156 Ų156142.2 Ų142.283%0.83482%0.823SS**  trans73.693.9161.7-52.8-26000117
198D34.1Very low36.7Very low168 Ų168136.9 Ų136.990%0.89881%0.811SS**  -154.4114.8118.1-118.1-12.5000110.2
199L50.5Low36.9Very low167 Ų167139.9 Ų139.987%0.87482%0.822SS**  trans-99.9100.2171-76168.1000106.9
200E39.8Very low37.5Very low189 Ų189136.8 Ų136.888%0.88382%0.82SS**  trans-140.1122.5155.1-164134.1113.300110.1
201S40.4Very low38.5Very low108 Ų108135.7 Ų135.776%0.75582%0.821SS**  trans-56.9147.9177.5-56.30000112.6
202D41.4Very low39Very low165 Ų165137 Ų13788%0.88282%0.819SS**  -154132.4124.5-126.8-14.8000112.7
203S46.7Very low39.2Very low101 Ų101134.3 Ų134.371%0.70682%0.816SS**  trans-81.4117.8-179.7-64.20000109.4L205S203-L205 PolarHBondContact O-N 2.9Å; S203-L205 VanDerWaalsContact O-N 3.1Å
204G38.6Very low39.2Very low80 Ų80133.7 Ų133.783%0.82582%0.817SS**  trans-73.195.6172.700000112
205L41Very low39.3Very low163 Ų163128.4 Ų128.485%0.85382%0.816SS**  trans-81.2106.4160.1-66.7171.8000108.4S203S203-L205 PolarHBondContact O-N 2.9Å; S203-L205 VanDerWaalsContact O-N 3.1Å
206S41Very low40.3Very low124 Ų124128.2 Ų128.287%0.86781%0.811SS**  trans-11097.6162.7-82.20000109.3
207L35.5Very low40.1Very low167 Ų167133.5 Ų133.587%0.87483%0.826SS**  trans-69.9128.1161.3-67.4167.5000108.2
208G37.7Very low40Very low67 Ų67133.5 Ų133.569%0.69183%0.827SS**  trans-66.6150167.800000111.7
209S36.3Very low40.7Very low127 Ų127131.6 Ų131.689%0.88882%0.823SS**  trans-174126.7143.2-78.40000110
210S43.3Very low39.9Very low114 Ų114128.3 Ų128.380%0.79782%0.82SS**  trans-72.2175.5174.3-58.50000112.4
211P50.4Low39.5Very low127 Ų127123.5 Ų123.583%0.82582%0.821SS**  -130.8125.3124.634.3-23.5000114.7
212V39.7Very low39Very low123 Ų123122 Ų12275%0.74582%0.822SS**  trans11.5117.1137.4-178.10000120.1
213T35Very low38.5Very low126 Ų126117.7 Ų117.777%0.77382%0.818SS**  trans28.6133.3132.976.60000122.1
214S30.2Very low38.4Very low125 Ų125119.3 Ų119.387%0.87483%0.826SS**  -152.2129.2128.340.20000110.1
215S36.5Very low38Very low121 Ų121118.6 Ų118.685%0.84682%0.818SS**  trans-102.1170.7178.1-124.60000110.4
216P52.4Low37.6Very low117 Ų117121.7 Ų121.776%0.7682%0.82SS**  trans-93.9155.8-150.737.5-36000114.6
217D33.4Very low37.1Very low168 Ų168124.1 Ų124.190%0.89882%0.818SS**  trans-109.2135.5167.9-83.7-39.5000112.4
218N37.1Very low36.7Very low157 Ų157123.7 Ų123.784%0.8482%0.816SS**  trans-72156.1175.2-129.61.2000111.4
219P48Very low36.5Very low127 Ų127126.1 Ų126.183%0.82582%0.818SS**  trans-136.5125.7142.633.7-18.8000113.8
220A33Very low36.4Very low98 Ų98127.4 Ų127.481%0.8181%0.814SS**  trans-135.4129.8161.600000109.8
221G31.6Very low36.1Very low88 Ų88131.2 Ų131.291%0.90782%0.822SS**  trans85.7132.6173.400000113.8
222G31.2Very low35.2Very low76 Ų76127.9 Ų127.978%0.78481%0.811SS**  cis168.41466.900000105.6
223G30.7Very low35.1Very low76 Ų76129.2 Ų129.278%0.78482%0.819SS**  trans-65-170-168.700000117.1
224P44.5Very low35Very low135 Ų135131 Ų13188%0.87782%0.819SS**  -148.7168.451.138.7-18000118.9
225G29.3Very low35Very low64 Ų64134.3 Ų134.366%0.6681%0.814SS**  trans68.3128.4148.700000118.5
226Y32.6Very low35.1Very low229 Ų229133.8 Ų133.890%0.89881%0.81SS**  -160.7164.253.4-88.6-93.4000113
227Q31.1Very low34.1Very low175 Ų175133.7 Ų133.782%0.81880%0.803SS**  trans-51.9149.2-172.4-64159.63.900119.1
228N27.7Very low34.1Very low157 Ų157131.9 Ų131.984%0.8480%0.802SS**  -155.9148.7128.1-145.6-67.2000112.4
229V33.3Very low34Very low119 Ų119132.3 Ų132.372%0.72180%0.799SS**  trans-83.8136.1-162.3-73.90000112.8
230D32.6Very low34.4Very low154 Ų154130.8 Ų130.882%0.82479%0.789SS**  81.6113.289.1-150.715.3000115.1
231M38.4Very low34.3Very low193 Ų193135.2 Ų135.295%0.95179%0.793SS**  trans-168.3109.7146.1-162.966.715800108.8
232G31.9Very low34.2Very low58 Ų58135.9 Ų135.960%0.59878%0.784SS**  trans-93.1173.2-165.600000117.2
233T35.9Very low34.4Very low150 Ų150140.3 Ų140.392%0.9279%0.786SS**  trans-152.8117.4139.5-42.80000109.3
234Q32.8Very low34.5Very low165 Ų165142 Ų14277%0.77178%0.781SS**  trans-70.6165.8169.3-71.9-172.5-18.700110.9
235Y32.3Very low34Very low194 Ų194142.5 Ų142.576%0.76177%0.772SS**  cis-169.7171.5-1.1-129.7-116.1000108.9
236S37.2Very low34.3Very low109 Ų109147.3 Ų147.376%0.76278%0.777SS**  trans117.589.9147.9-1480000112.9
237D31.5Very low34.3Very low115 Ų115140 Ų14062%0.61577%0.772SS**  82107.655.5-167.223.1000113.3
238C33.4Very low34.6Very low131 Ų131143.9 Ų143.989%0.88578%0.779SS**  trans-166.1106.9136.5-88.20000108.3
239E34.5Very low34.7Very low165 Ų165147.5 Ų147.577%0.77178%0.781SS**  trans-88.3-169.9166.8-80.6-82.5109.900110.6
240P57.5Low34.9Very low95 Ų95145.8 Ų145.862%0.61779%0.787SS**  -137.3-155.9-63.741.7-23.2000112.7
241E30.8Very low34.8Very low191 Ų191145.4 Ų145.489%0.89378%0.78SS**  trans91.8135.6168.3-74.6-176.1147.400118.3
242S28.8Very low34.9Very low102 Ų102143.5 Ų143.571%0.71377%0.772SS**  cis-159.7144.36.996.10000112
243M35.3Very low34.9Very low169 Ų169147.8 Ų147.883%0.83378%0.776SS**  trans30.4122.7142.6-68.5-87.5-169.200121.1
244T33.5Very low35Very low111 Ų111150.3 Ų150.368%0.68177%0.77SS**  162.5129.787.3-31.30000112.1
245E34.5Very low35.6Very low146 Ų146147 Ų14768%0.68276%0.763SS**  trans51.6127.2143.6-78.4178.8134.200127
246H35.3Very low35.9Very low166 Ų166145.8 Ų145.877%0.76977%0.766SS**  trans78.6130.4140.9-56.10.1000117.9
247G31.7Very low35.7Very low76 Ų76147 Ų14778%0.78476%0.764SS**  cis-165.5174.55.900000110.3
248R37.9Very low36.2Very low255 Ų255150.2 Ų150.296%0.96277%0.769SS**  trans-61.9134.9-177.1-65.9175.7171.6-1220.2112.9
249R30.4Very low36.1Very low234 Ų234151.9 Ų151.988%0.88376%0.764SS**  -174.9111.2122.9-149.1168.7-165.3-137.92.7111.3H251R249-H251 PolarHBondContact O-N 2.96Å
250G37.2Very low35.9Very low82 Ų82148.7 Ų148.785%0.84576%0.76SS**  trans-80.1111.716800000110.1
251H30.5Very low34.6Very low147 Ų147152.9 Ų152.968%0.68177%0.771SS**  trans-114.1105.4168.8-162.150.7000107.7R249 H253R249-H251 PolarHBondContact O-N 2.96Å; H251-H253 AromaticContact CD2-CD2 3.85Å; H251-H253 AromaticContact NE2-CD2 3.95Å; H251-H253 PolarHBondContact O-N 2.88Å
252I40.6Very low34.6Very low153 Ų153150 Ų15079%0.78577%0.767SS**  trans-74.6101.6173.3-61.2175.6000106.3
253H32.3Very low34.8Very low148 Ų148152.9 Ų152.969%0.68577%0.773SS**  trans-91.5115.4173.7-143.8-90.8000108.2H251H251-H253 AromaticContact CD2-CD2 3.85Å; H251-H253 AromaticContact NE2-CD2 3.95Å; H251-H253 PolarHBondContact O-N 2.88Å
254Y37.7Very low35Very low202 Ų202150.7 Ų150.779%0.79277%0.772SS**  trans-72.4124.6163.2-97.4-93000108.1M256Y254-M256 PolarHBondContact O-N 3.48Å
255P45.5Very low35Very low95 Ų95156 Ų15662%0.61778%0.781SS**  trans-83116.3168.26.710.7000108.6
256M38.1Very low34.9Very low169 Ų169156.3 Ų156.383%0.83379%0.786SS**  trans-94.493.6162.4-124.1-61.1-158.100106.4Y254 Y258Y254-M256 PolarHBondContact O-N 3.48Å; M256-Y258 PolarHBondContact O-N 3.19Å
257D33.5Very low34.6Very low134 Ų134158 Ų15872%0.71779%0.794SS**  trans-84.494.4177.5-59.7-37.2000109.1
258Y40.2Very low34.6Very low183 Ų183160 Ų16072%0.71880%0.796SS**  trans-99.376.4160.3-132.6-86.7000107.8M256M256-Y258 PolarHBondContact O-N 3.19Å
259Q32.3Very low34.1Very low166 Ų166151.6 Ų151.678%0.77679%0.789SS**  trans-98.7101.5173.1-164.6144.821.600110.3Q261Q259-Q261 PolarHBondContact O-N 2.89Å; Q259-Q261 VanDerWaalsContact O-N 3.16Å
260S30.7Very low34Very low99 Ų99143.2 Ų143.269%0.69278%0.775SS**  trans-51.5107.8161-25.50000109.1T262S260-T262 PolarHBondContact O-N 3.02Å
261Q29.8Very low33.7Very low182 Ų182149 Ų14985%0.8578%0.78SS**  trans-86.7100.2171.5-75.5178.17.100109.5Q259Q259-Q261 PolarHBondContact O-N 2.89Å; Q259-Q261 VanDerWaalsContact O-N 3.16Å
262T31.3Very low33.8Very low131 Ų131146.4 Ų146.480%0.80478%0.784SS**PPolyproline II helixtrans-88.6117.2159.8-5.40000107.6S260S260-T262 PolarHBondContact O-N 3.02Å
263L33.1Very low34.3Very low162 Ų162143.9 Ų143.985%0.84878%0.777SS**PPolyproline II helixtrans-75.5136.1173.8-75.4163.6000110.6
264P38.8Very low34.1Very low124 Ų124146.2 Ų146.281%0.80578%0.781SS**PPolyproline II helixtrans-94.3139.3158.54.615.1000111.5
265Y32.8Very low33.7Very low223 Ų223145.9 Ų145.988%0.87578%0.784SS**PPolyproline II helixtrans-65.2158176.5-104.6-100.7000114.5
266L33.7Very low33Very low152 Ų152146 Ų14680%0.79679%0.787SS**PPolyproline II helixtrans-59.5154.4173.4-71.899.6000114.4
267H28.2Very low33.4Very low201 Ų201143.7 Ų143.793%0.93179%0.785SS**  trans-126.6146.1151.4-118.338.5000112.9
268S31.2Very low33.2Very low118 Ų118145.2 Ų145.283%0.82579%0.788SS**  trans-92.9154.1-160.7-172.30000112.6
269G28Very low33.4Very low78 Ų78141.7 Ų141.780%0.80479%0.788SS**  trans-145.6109.8165.400000109
270G29.3Very low33Very low58 Ų58139.2 Ų139.260%0.59879%0.789SS**  trans-91.2156.5-170.800000114.6
271H30.5Very low32.9Very low205 Ų205145.2 Ų145.295%0.94980%0.798SS**  trans-157.7126.7144.8-78.6-71.5000108.3
272A33Very low33.8Very low92 Ų92141.9 Ų141.976%0.7679%0.792SS**  trans-107.9171.3163.400000107.2
273P49.6Very low33.6Very low100 Ų100143.5 Ų143.565%0.64979%0.79SS**  cis-146.8166.829.126.50.8000117.1
274Y29Very low33.3Very low197 Ų197139.2 Ų139.277%0.77377%0.774SS**  164.7140.4110.8-104.6-82.5000114.4
275F29Very low32.9Very low194 Ų194140.6 Ų140.685%0.85177%0.769SS**  trans88114.3163.4-78.2-76.6000122
276S30Very low32.6Very low97 Ų97135.8 Ų135.868%0.67876%0.763SS**  trans-102170.7160.4-1440000107.6
277P46.9Very low32.1Very low122 Ų122134.5 Ų134.579%0.79277%0.766SS**  cis-143.7169.829.135.9-11.2000119.5
278Q30Very low32.1Very low166 Ų166129.5 Ų129.578%0.77675%0.753SS**  trans-49179.6170.1-68.4-74.8-2000115.4
279P44.5Very low31.9Very low109 Ų109132.7 Ų132.771%0.70876%0.757SS**  cis-147.6177.918.838-15000118.8
280S24.3Very low32Very low114 Ų114136.1 Ų136.180%0.79776%0.757SS**  trans132.2127.6134.965.30000118.4
281Y29.1Very low32.3Very low225 Ų225138.6 Ų138.688%0.88276%0.763SS**  trans-76.1-169.7173.7-77.4-93.2000112.4
282P47.5Very low32.4Very low111 Ų111140.4 Ų140.472%0.72176%0.761SS**  -129.5157.5-62.736.3-20.7000111.9
283H27.2Very low33.2Very low165 Ų165141.7 Ų141.776%0.76476%0.762SS**  trans-158.7138.1156.1-150.557.8000115.7
284S27.6Very low32.3Very low73 Ų73144.1 Ų144.151%0.5177%0.769SS.*  trans-52.3151.5166.746.10000115.1
285Q29.8Very low32.4Very low152 Ų152142.7 Ų142.771%0.7177%0.766SS**  159.4127.2118.6-90.2174.546.700113.8
286T25.8Very low32.4Very low122 Ų122140.1 Ų140.175%0.74876%0.757SS**  trans45131.4136.358.50000122.6
287C24.7Very low32.4Very low126 Ų126143.6 Ų143.685%0.85176%0.762SS**  trans-42.7144160.7-41.90000115.2
288S26.6Very low31.6Very low96 Ų96143.4 Ų143.467%0.67176%0.759SS**  149.8128126.9-170.80000109
289M27.3Very low31.7Very low185 Ų185140.3 Ų140.391%0.91176%0.761SS**  trans-153.8129.2132.8-81.2-42.9150.100110.9
290N30.3Very low31Very low150 Ų150139.2 Ų139.280%0.80276%0.761SS**  trans-66.3153.5168.8-147.32.1000110.5
291P35.8Very low31.3Very low110 Ų110141.7 Ų141.771%0.71477%0.766SS**  trans-95.1149.6-17635.1-26.8000112.7
292R31.5Very low31.7Very low243 Ų243139.1 Ų139.192%0.91777%0.766SS**  trans-155.6161.3170.6-91.6-154.3-169.7-174.73.7109.5
293P51.4Low31Very low119 Ų119145.1 Ų145.177%0.77378%0.776SS**  -126.7-174.9-100.124.11.4000112.3
294L30Very low31.3Very low151 Ų151140.7 Ų140.779%0.79178%0.775SS**  trans143.8106.8132.9-163.367.2000114.8
295K31.4Very low31.8Very low166 Ų166145.3 Ų145.372%0.72279%0.794SS**  trans40.9119.6136.8-75.1-178.7174.1-178.60123.3
296Q29.4Very low32Very low140 Ų140142 Ų14265%0.65479%0.792SS**  85.4119.3108.6-162.3157.35.700119.1
297H28.5Very low32.6Very low170 Ų170142.1 Ų142.179%0.78779%0.793SS**  -168.7113.3111.7-107.6-93.7000112.4
298V31.6Very low33.3Very low119 Ų119143.2 Ų143.272%0.72180%0.796SS**  trans45.4116132.8-1610000121.1
299A30.7Very low33.7Very low100 Ų100144 Ų14483%0.82680%0.796SS**  -164140.2127.200000110.3
300A31.5Very low34Very low86 Ų86140.6 Ų140.671%0.71179%0.791SS**  trans-74.4147.5-175.100000112.7
301D29.6Very low34.5Very low166 Ų166144.1 Ų144.189%0.88879%0.793SS**  trans177.290.3131.5-85.4-21.5000109.6
302L37.3Very low34.2Very low172 Ų172141.5 Ų141.590%0.90179%0.786SS**  trans-13375.2168.2-103152.6000106.8
303Y33.3Very low34.5Very low237 Ų237135.2 Ų135.293%0.92978%0.78SS**  trans-153103.2160.3-115.5-87000108.7
304G34.2Very low33.7Very low72 Ų72134.3 Ų134.374%0.74278%0.776SS**  trans-163.824.2179.100000113.4
305N36.5Very low34Very low170 Ų170136 Ų13691%0.90977%0.773SS**  trans-100.790.9163.7-80.3-9.3000107.7
306A35Very low34.1Very low81 Ų81132.1 Ų132.167%0.66977%0.767SS**  trans-137.6125.2167.900000109.9
307T39Very low34.4Very low125 Ų125131.8 Ų131.877%0.76777%0.767SS**  trans74.867.9150.964.40000118.6
308V38.1Very low34.8Very low150 Ų150131.4 Ų131.491%0.90977%0.766SS**  -86.6100.5126.9-100.70000106.5S310V308-S310 PolarHBondContact O-N 3.32Å
309T35.3Very low35.1Very low111 Ų111131.6 Ų131.668%0.68177%0.767SS**  trans-53.1104.7169.7-40.40000107.3R311T309-R311 HydrophobicContact CG2-CG 3.99Å; T309-R311 PolarHBondContact O-N 3.01Å
310S34.5Very low35.6Very low115 Ų115135.9 Ų135.980%0.80477%0.767SS**  trans-60.683.7154.9-1780000106.2V308 G312V308-S310 PolarHBondContact O-N 3.32Å; S310-G312 PolarHBondContact O-N 3.45Å
311R39.1Very low35.8Very low224 Ų224137.1 Ų137.185%0.84577%0.77SS**  trans-69.289.2157.3-77-17987.6-158.88.7103.9T309 S313T309-R311 HydrophobicContact CG2-CG 3.99Å; T309-R311 PolarHBondContact O-N 3.01Å; R311-S313 VanDerWaalsContact C-N 3.33Å; R311-S313 PolarHBondContact O-N 2.86Å
312G31.5Very low36.7Very low55 Ų55138.9 Ų138.957%0.56777%0.773SS**  trans-44.6107161.300000107S310 S314S310-G312 PolarHBondContact O-N 3.45Å; G312-S314 PolarHBondContact O-N 3.38Å
313S36.5Very low36.8Very low111 Ų111133.5 Ų133.578%0.77676%0.76SS**  trans-72.575.1162.8178.40000105.5R311 Y315R311-S313 VanDerWaalsContact C-N 3.33Å; R311-S313 PolarHBondContact O-N 2.86Å; S313-Y315 VanDerWaalsContact C-N 3.26Å; S313-Y315 PolarHBondContact O-N 3.44Å
314S34.2Very low37.6Very low100 Ų100128.3 Ų128.370%0.69976%0.758SS**  trans-56.5102.4158.5-46.80000104.9G312 S316G312-S314 PolarHBondContact O-N 3.38Å; S314-S316 PolarHBondContact O-N 3.06Å
315Y37.9Very low37.8Very low185 Ų185129.4 Ų129.473%0.72575%0.754SS**  trans-52.397.1154.948.8-85.9000104.8S313 M317S313-Y315 VanDerWaalsContact C-N 3.26Å; S313-Y315 PolarHBondContact O-N 3.44Å; Y315-M317 HydrophobicContact CD2-CE 4.38Å; Y315-M317 HydrophobicContact CD2-CG 3.86Å; Y315-M317 HydrophobicContact CE2-CG 4.45Å; Y315-M317 PolarHBondContact O-N 2.98Å
316S33.5Very low38.4Very low85 Ų85127.2 Ų127.259%0.59475%0.752SS**  trans-70.285.1171.5-174.20000105.4S314 H318S314-S316 PolarHBondContact O-N 3.06Å; S316-H318 VanDerWaalsContact C-N 3.29Å; S316-H318 PolarHBondContact O-N 3.36Å; S316-H318 PolarHBondContact OG-CE1 2.84Å; S316-H318 PolarHBondContact OG-ND1 3.44Å
317M34.2Very low39.3Very low134 Ų134128.7 Ų128.766%0.6675%0.753SS**  trans-61.4104.6157.3-69.8-72179.300104.5Y315 T319Y315-M317 HydrophobicContact CD2-CE 4.38Å; Y315-M317 HydrophobicContact CD2-CG 3.86Å; Y315-M317 HydrophobicContact CE2-CG 4.45Å; Y315-M317 PolarHBondContact O-N 2.98Å; M317-T319 HydrophobicContact CB-CG2 4.29Å; M317-T319 PolarHBondContact O-N 2.96Å
318H36.5Very low40.2Very low162 Ų162128.2 Ų128.275%0.7575%0.752SS**  trans-68.669.3163.6-65.1-7.8000107.9S316 K320S316-H318 VanDerWaalsContact C-N 3.29Å; S316-H318 PolarHBondContact O-N 3.36Å; S316-H318 PolarHBondContact OG-CE1 2.84Å; S316-H318 PolarHBondContact OG-ND1 3.44Å; H318-K320 PolarHBondContact O-N 2.84Å
319T37.8Very low41.5Very low122 Ų122124.7 Ų124.775%0.74874%0.739SS**  trans-71.692.3157.651.50000105.5M317 S321M317-T319 HydrophobicContact CB-CG2 4.29Å; M317-T319 PolarHBondContact O-N 2.96Å; T319-S321 PolarHBondContact O-N 3.17Å
320K41.7Very low43.6Very low190 Ų190125.2 Ų125.283%0.82674%0.744SS**  trans-51.6109.9167-79.7178.4173178.40107.5H318 Q322H318-K320 PolarHBondContact O-N 2.84Å; K320-Q322 PolarHBondContact O-N 2.9Å; K320-Q322 VanDerWaalsContact O-N 3.09Å
321S35.5Very low45.8Very low112 Ų112123.3 Ų123.378%0.78372%0.724SS**  trans-60.8110.7164.554.90000107.4T319 G323T319-S321 PolarHBondContact O-N 3.17Å; S321-G323 VanDerWaalsContact C-N 3.29Å; S321-G323 PolarHBondContact O-N 2.83Å
322Q49.7Very low48.3Very low203 Ų203115.4 Ų115.495%0.94970%0.704SS**  trans-58.395161.7-87.3-92.2-6.600107.8K320K320-Q322 PolarHBondContact O-N 2.9Å; K320-Q322 VanDerWaalsContact O-N 3.09Å
323G39.1Very low51.2Low60 Ų60119.3 Ų119.362%0.61970%0.701SS**  trans-140.1117.4171.200000107.3S321 S325S321-G323 VanDerWaalsContact C-N 3.29Å; S321-G323 PolarHBondContact O-N 2.83Å; G323-S325 PolarHBondContact O-N 3.46Å
324S49.1Very low54Low128 Ų128115 Ų11590%0.89567%0.67SS**  trans-54.7113.3-170.660.20000113.8
325S40.1Very low56.9Low94 Ų94114.3 Ų114.366%0.65766%0.655SS**  trans-159.2128.1138.770.20000109G323 T327G323-S325 PolarHBondContact O-N 3.46Å; S325-T327 PolarHBondContact O-N 3.26Å
326S49.1Very low59.7Low124 Ų124112.3 Ų112.387%0.86765%0.646SS**  trans-73.161.5-176.855.30000112.5
327T53.8Low62.6Low112 Ų112112.7 Ų112.769%0.68764%0.638SS**  trans-108.4110166.651.30000108.4S325 A329S325-T327 PolarHBondContact O-N 3.26Å; T327-A329 PolarHBondContact O-N 2.88Å
328P58.1Low65.6Low115 Ų115106.5 Ų106.575%0.74761%0.608SS**  trans-57.9129.5171.9-16.728.3000107.9
329A65.3Low68.4Low77 Ų77103.9 Ų103.964%0.63660%0.603SS**  trans-48.5142.8169.200000109.1T327 L331T327-A329 PolarHBondContact O-N 2.88Å; A329-L331 PolarHBondContact O-N 3.19Å
330P78.6Confident71.2Confident122 Ų122101.8 Ų101.879%0.79260%0.598SS**  trans-55.7111.6-176.418.1-29.3000109.9S332P330-S332 PolarHBondContact O-N 2.99Å
331L81.4Confident73.8Confident74 Ų7496 Ų9639%0.38758%0.576SS.*  trans-54.7134-179.238.6159.6000110.1A329 E335 R336A329-L331 PolarHBondContact O-N 3.19Å; L331-E335 VanDerWaalsContact CA-OE2 3.31Å; L331-E335 WeakPolarHBondContact CA-OE2 3.27Å; L331-E335 HydrophobicContact CB-CB 4.05Å; L331-R336 HydrophobicContact CB-CG 4.18Å; L331-R336 HydrophobicContact CD1-CB 3.95Å; L331-R336 HydrophobicContact CD1-CG 3.44Å; L331-R336 VanDerWaalsContact CD1-CG 3.44Å; L331-R336 HydrophobicContact CG-CG 3.65Å
332S90.2Very high76.6Confident59 Ų5998.8 Ų98.841%0.41357%0.574SS.*  trans-53.5149.9176.7167.50000110P330 D334 E335 R336P330-S332 PolarHBondContact O-N 2.99Å; S332-D334 PolarHBondContact O-N 3.4Å; S332-D334 PolarHBondContact OG-N 3.44Å; S332-E335 PolarHBondContact N-OE2 2.86Å; S332-E335 WeakPolarHBondContact O-CA 3.36Å; S332-E335 WeakPolarHBondContact O-CB 3.32Å; S332-E335 PolarHBondContact O-N 3.49Å; S332-R336 VanDerWaalsContact O-CG 3.25Å; S332-R336 WeakPolarHBondContact O-CG 3.38Å; S332-R336 PolarHBondContact O-N 3.48Å
333R94.1Very high78.9Confident136 Ų13690 Ų9051%0.51353%0.533SS..Hα-helixtrans-48-41.1177.5-171.7-177.686.41736.3111.9K337R333-K337 WeakPolarHBondContact O-CG 3.43Å; R333-K337 PolarHBondContact O-N 3.47Å
334D95.1Very high81.5Confident21 Ų2190.2 Ų90.211%0.11252%0.523CS..Hα-helixtrans-74.4-33.1-179.2-70.5-23.2000112.7S332 K337 A338 L347 I378 R381S332-D334 PolarHBondContact O-N 3.4Å; S332-D334 PolarHBondContact OG-N 3.44Å; D334-K337 PolarHBondContact O-N 3.26Å; D334-A338 VanDerWaalsContact O-CB 3.29Å; D334-A338 WeakPolarHBondContact O-CB 3.35Å; D334-A338 PolarHBondContact O-N 2.92Å; D334-L347 HydrophobicContact CB-CD2 3.74Å; D334-I378 HydrophobicContact CB-CD1 4.01Å; D334-I378 HydrophobicContact CB-CG1 3.85Å; D334-I378 HydrophobicContact CB-CG2 4.48Å; D334-R381 IonicContact OD1-CZ 3.46Å; D334-R381 IonicContact OD1-NH1 3.14Å; D334-R381 PolarHBondContact OD1-NH1 3.17Å; D334-R381 IonicContact OD1-NH2 2.81Å; D334-R381 PolarHBondContact OD1-NH2 2.95Å; D334-R381 IonicContact OD2-CZ 3.48Å; D334-R381 IonicContact OD2-NH1 3.44Å; D334-R381 PolarHBondContact OD2-NH1 3.27Å; D334-R381 IonicContact OD2-NH2 2.7Å
335E95.3Very high83.7Confident85 Ų8584.7 Ų84.740%0.39748%0.483SS..Hα-helixtrans-65-43.6172.5-68.1171.2170.400110.6L331 S332 K337 A338 V339 L347L331-E335 VanDerWaalsContact CA-OE2 3.31Å; L331-E335 WeakPolarHBondContact CA-OE2 3.27Å; L331-E335 HydrophobicContact CB-CB 4.05Å; S332-E335 PolarHBondContact N-OE2 2.86Å; S332-E335 WeakPolarHBondContact O-CA 3.36Å; S332-E335 WeakPolarHBondContact O-CB 3.32Å; S332-E335 PolarHBondContact O-N 3.49Å; E335-K337 VanDerWaalsContact C-N 3.32Å; E335-K337 PolarHBondContact O-N 3.08Å; E335-A338 PolarHBondContact O-N 3.27Å; E335-V339 VanDerWaalsContact O-CG2 3.31Å; E335-V339 WeakPolarHBondContact O-CG2 3.5Å; E335-V339 PolarHBondContact O-N 3.48Å; E335-L347 HydrophobicContact CB-CD2 4.45Å; E335-L347 HydrophobicContact CG-CD1 4.08Å; E335-L347 HydrophobicContact CG-CD2 3.6Å; E335-L347 HydrophobicContact CG-CG 4.36Å
336R95.4Very high86.4Confident143 Ų14383.8 Ų83.854%0.5448%0.475SS..Hα-helixtrans-60-44.9176.9-41.2-152.6-95.5-134.4-13.4111.5L331 S332 V339 A340L331-R336 HydrophobicContact CB-CG 4.18Å; L331-R336 HydrophobicContact CD1-CB 3.95Å; L331-R336 HydrophobicContact CD1-CG 3.44Å; L331-R336 VanDerWaalsContact CD1-CG 3.44Å; L331-R336 HydrophobicContact CG-CG 3.65Å; S332-R336 VanDerWaalsContact O-CG 3.25Å; S332-R336 WeakPolarHBondContact O-CG 3.38Å; S332-R336 PolarHBondContact O-N 3.48Å; R336-V339 PolarHBondContact O-N 3.41Å; R336-A340 WeakPolarHBondContact O-CB 3.26Å; R336-A340 PolarHBondContact O-N 3.46Å
337K95.7Very high88.6Confident94 Ų9479.1 Ų79.141%0.40944%0.44SS..Hα-helixtrans-66.1-41.1178.7-73.1-174.4176.2-165.40111.8R333 D334 E335 A340 L341 L374R333-K337 WeakPolarHBondContact O-CG 3.43Å; R333-K337 PolarHBondContact O-N 3.47Å; D334-K337 PolarHBondContact O-N 3.26Å; E335-K337 VanDerWaalsContact C-N 3.32Å; E335-K337 PolarHBondContact O-N 3.08Å; K337-A340 PolarHBondContact O-N 3.45Å; K337-L341 PolarHBondContact O-N 3.27Å; K337-L374 HydrophobicContact CB-CD1 3.99Å; K337-L374 HydrophobicContact CB-CD2 3.9Å; K337-L374 HydrophobicContact CD-CD1 4.1Å
338A96.2Very high90.6Very high4 Ų478.8 Ų78.83%0.03343%0.434CS..Hα-helixtrans-64.5-41.1177.300000111.9D334 E335 L341 K342 I343 L347 I378D334-A338 VanDerWaalsContact O-CB 3.29Å; D334-A338 WeakPolarHBondContact O-CB 3.35Å; D334-A338 PolarHBondContact O-N 2.92Å; E335-A338 PolarHBondContact O-N 3.27Å; A338-L341 CarbonylContact O-C 3.59Å; A338-K342 PolarHBondContact O-N 3.43Å; A338-I343 HydrophobicContact CB-CB 4.17Å; A338-I343 HydrophobicContact CB-CG1 3.99Å; A338-I343 WeakPolarHBondContact O-CG1 3.5Å; A338-I343 PolarHBondContact O-N 2.84Å; A338-L347 HydrophobicContact CB-CD1 3.55Å; A338-I378 HydrophobicContact CB-CD1 4.31Å
339V95.6Very high92.5Very high106 Ų10678 Ų7864%0.64242%0.419SS*.Hα-helixtrans-65.7-43.6174.3172.80000111.2E335 R336 L341 K342E335-V339 VanDerWaalsContact O-CG2 3.31Å; E335-V339 WeakPolarHBondContact O-CG2 3.5Å; E335-V339 PolarHBondContact O-N 3.48Å; R336-V339 PolarHBondContact O-N 3.41Å; V339-L341 PolarHBondContact O-N 3.3Å; V339-K342 PolarHBondContact O-N 3.47Å
340A95.9Very high94Very high79 Ų7974.4 Ų74.465%0.65339%0.389SS*.Hα-helixtrans-62.3-40.417900000112.8R336 K337 K342R336-A340 WeakPolarHBondContact O-CB 3.26Å; R336-A340 PolarHBondContact O-N 3.46Å; K337-A340 PolarHBondContact O-N 3.45Å; A340-K342 VanDerWaalsContact C-N 3.26Å; A340-K342 PolarHBondContact O-N 2.87Å
341L95.9Very high94.8Very high68 Ų6870.2 Ų70.236%0.35636%0.36SS..THydrogen-bonded Turntrans-85.38.2173.7-63.2-170.4000113.3K337 A338 V339 I343 Q371 L374K337-L341 PolarHBondContact O-N 3.27Å; A338-L341 CarbonylContact O-C 3.59Å; V339-L341 PolarHBondContact O-N 3.3Å; L341-I343 VanDerWaalsContact C-N 3.33Å; L341-I343 HydrophobicContact CB-CD1 4.43Å; L341-I343 PolarHBondContact O-N 3.27Å; L341-Q371 HydrophobicContact CB-CG 4.1Å; L341-Q371 HydrophobicContact CD1-CG 4.46Å; L341-Q371 PolarHBondContact O-NE2 3.01Å; L341-L374 HydrophobicContact CB-CD2 4.35Å; L341-L374 HydrophobicContact CD1-CB 4.11Å; L341-L374 HydrophobicContact CD1-CD2 3.6Å; L341-L374 HydrophobicContact CD1-CG 4.44Å; L341-L374 HydrophobicContact CG-CD2 4.17Å
342K95.8Very high95.6Very high171 Ų17170.9 Ų70.974%0.74336%0.364SS*.THydrogen-bonded Turntrans50.147.3178.7-58.9-179.1179.3177.60113.4A338 V339 A340A338-K342 PolarHBondContact O-N 3.43Å; V339-K342 PolarHBondContact O-N 3.47Å; A340-K342 VanDerWaalsContact C-N 3.26Å; A340-K342 PolarHBondContact O-N 2.87Å
343I96.7Very high95.9Very high19 Ų1970 Ų7010%0.09735%0.354CS..  trans-63.2125.1174.9-59.2-59.3000109.1A338 L341 F345 I350 Q371 L374 V375A338-I343 HydrophobicContact CB-CB 4.17Å; A338-I343 HydrophobicContact CB-CG1 3.99Å; A338-I343 WeakPolarHBondContact O-CG1 3.5Å; A338-I343 PolarHBondContact O-N 2.84Å; L341-I343 VanDerWaalsContact C-N 3.33Å; L341-I343 HydrophobicContact CB-CD1 4.43Å; L341-I343 PolarHBondContact O-N 3.27Å; I343-F345 HydrophobicContact CG2-CD2 3.8Å; I343-F345 HydrophobicContact CG2-CE1 4.44Å; I343-F345 HydrophobicContact CG2-CE2 3.56Å; I343-F345 HydrophobicContact CG2-CG 4.32Å; I343-F345 HydrophobicContact CG2-CZ 3.92Å; I343-F345 PolarHBondContact O-N 3.42Å; I343-I350 HydrophobicContact CG2-CD1 4.31Å; I343-Q371 HydrophobicContact CD1-CB 3.65Å; I343-Q371 HydrophobicContact CD1-CG 3.71Å; I343-L374 HydrophobicContact CG1-CD2 4.47Å; I343-V375 HydrophobicContact CD1-CG2 3.76Å; I343-V375 HydrophobicContact CG1-CG2 4.28Å; I343-V375 HydrophobicContact CG2-CG2 4.07Å
344P95.2Very high96.1Very high63 Ų6366.8 Ų66.841%0.40935%0.351SS..SBendtrans-81.17.8-167.531.5-35.3000114.7Y365 L367P344-Y365 HydrophobicContact CB-CD1 3.67Å; P344-Y365 HydrophobicContact CB-CE1 3.63Å; P344-Y365 HydrophobicContact CB-CG 4.45Å; P344-Y365 HydrophobicContact CG-CD1 3.3Å; P344-Y365 HydrophobicContact CG-CD2 4.32Å; P344-Y365 HydrophobicContact CG-CE1 3.74Å; P344-Y365 HydrophobicContact CG-CG 3.64Å; P344-L367 HydrophobicContact CG-CD2 4.12Å
345F95.3Very high96.1Very high13 Ų1369.3 Ų69.36%0.05737%0.367CS..SBendtrans-143154179.343.8-102.2000111.3I343 I350 L361 L362 Y365 L367 V375I343-F345 HydrophobicContact CG2-CD2 3.8Å; I343-F345 HydrophobicContact CG2-CE1 4.44Å; I343-F345 HydrophobicContact CG2-CE2 3.56Å; I343-F345 HydrophobicContact CG2-CG 4.32Å; I343-F345 HydrophobicContact CG2-CZ 3.92Å; I343-F345 PolarHBondContact O-N 3.42Å; F345-I350 HydrophobicContact CD2-CD1 4.07Å; F345-I350 HydrophobicContact CD2-CG1 3.73Å; F345-I350 HydrophobicContact CE2-CD1 3.8Å; F345-I350 HydrophobicContact CE2-CG1 3.57Å; F345-L361 HydrophobicContact CB-CD2 4.44Å; F345-L361 HydrophobicContact CD1-CD1 4.28Å; F345-L361 HydrophobicContact CD1-CD2 4.16Å; F345-L361 HydrophobicContact CD1-CG 4.13Å; F345-L361 HydrophobicContact CD2-CD2 4.03Å; F345-L361 HydrophobicContact CE1-CD2 4.45Å; F345-L361 HydrophobicContact CE1-CG 4.3Å; F345-L361 HydrophobicContact CE2-CD2 4.34Å; F345-L361 HydrophobicContact CG-CD2 3.94Å; F345-L361 HydrophobicContact CG-CG 4.4Å; F345-L362 HydrophobicContact CZ-CD2 3.98Å; F345-Y365 AromaticContact CD1-CD2 3.78Å; F345-Y365 HydrophobicContact CD1-CD2 3.78Å; F345-Y365 AromaticContact CD1-CE2 3.8Å; F345-Y365 HydrophobicContact CD1-CE2 3.8Å; F345-Y365 HydrophobicContact CD1-CG 4.39Å; F345-Y365 AromaticContact CE1-CD2 3.84Å; F345-Y365 HydrophobicContact CE1-CD2 3.84Å; F345-Y365 HydrophobicContact CE1-CE2 4.33Å; F345-Y365 HydrophobicContact CE1-CG 4.31Å; F345-L367 HydrophobicContact CE1-CD1 4.2Å; F345-L367 HydrophobicContact CZ-CD1 4Å; F345-V375 HydrophobicContact CE2-CG1 4.14Å; F345-V375 HydrophobicContact CE2-CG2 4.2Å; F345-V375 HydrophobicContact CZ-CG1 4.37Å; F345-V375 HydrophobicContact CZ-CG2 4.26Å
346P95.4Very high96.2Very high75 Ų7570.8 Ų70.849%0.48738%0.378SS..  trans-71.5155.6-175.629.2-36.4000112.9D348 K349 I350P346-D348 PolarHBondContact O-N 3.22Å; P346-K349 HydrophobicContact CG-CB 4.49Å; P346-K349 HydrophobicContact CG-CD 4.27Å; P346-K349 HydrophobicContact CG-CG 4.05Å; P346-K349 PolarHBondContact O-N 3.07Å; P346-I350 PolarHBondContact O-N 3.19Å
347L95.9Very high96.3Very high25 Ų2567.7 Ų67.713%0.13137%0.371CS..Hα-helixtrans-59.2-30.3177-88.171.8000113.6D334 E335 A338 K349 I350 I351 I378D334-L347 HydrophobicContact CB-CD2 3.74Å; E335-L347 HydrophobicContact CB-CD2 4.45Å; E335-L347 HydrophobicContact CG-CD1 4.08Å; E335-L347 HydrophobicContact CG-CD2 3.6Å; E335-L347 HydrophobicContact CG-CG 4.36Å; A338-L347 HydrophobicContact CB-CD1 3.55Å; L347-K349 VanDerWaalsContact C-N 3.29Å; L347-K349 PolarHBondContact O-N 3.4Å; L347-I350 HydrophobicContact CG-CD1 4.45Å; L347-I350 WeakPolarHBondContact O-CB 3.3Å; L347-I350 PolarHBondContact O-N 3.13Å; L347-I351 WeakPolarHBondContact O-CG1 3.49Å; L347-I351 PolarHBondContact O-N 2.93Å; L347-I378 HydrophobicContact CD2-CG2 4.08Å; L347-I378 HydrophobicContact CG-CG2 4.03Å
348D95.9Very high96.4Very high105 Ų10563.5 Ų63.556%0.56135%0.353SS*.Hα-helixtrans-57.2-45.2178.2-167.481000111.2P346 I350 I351 N352P346-D348 PolarHBondContact O-N 3.22Å; D348-I350 VanDerWaalsContact C-N 3.33Å; D348-I350 PolarHBondContact O-N 2.98Å; D348-I351 PolarHBondContact O-N 3.42Å; D348-N352 VanDerWaalsContact O-CB 3.28Å; D348-N352 WeakPolarHBondContact O-CB 3.31Å; D348-N352 PolarHBondContact O-N 3.18Å; D348-N352 PolarHBondContact O-ND2 3.01Å; D348-N352 PolarHBondContact OD1-ND2 3.46Å; D348-N352 PolarHBondContact OD2-ND2 2.94Å
349K96.9Very high96.4Very high100 Ų10067 Ų6744%0.43537%0.372SS..Hα-helixtrans-64-37.2174.6-70.9-169.7177.9-167.60112.3P346 L347 I351 L353 L361P346-K349 HydrophobicContact CG-CB 4.49Å; P346-K349 HydrophobicContact CG-CD 4.27Å; P346-K349 HydrophobicContact CG-CG 4.05Å; P346-K349 PolarHBondContact O-N 3.07Å; L347-K349 VanDerWaalsContact C-N 3.29Å; L347-K349 PolarHBondContact O-N 3.4Å; K349-I351 VanDerWaalsContact C-N 3.32Å; K349-I351 PolarHBondContact O-N 3.3Å; K349-L353 HydrophobicContact CB-CD1 3.93Å; K349-L353 HydrophobicContact CB-CG 4.32Å; K349-L353 HydrophobicContact CG-CD1 4.43Å; K349-L353 VanDerWaalsContact O-CB 3.28Å; K349-L353 WeakPolarHBondContact O-CB 3.38Å; K349-L353 WeakPolarHBondContact O-CD1 3.17Å; K349-L353 WeakPolarHBondContact O-CG 3.48Å; K349-L353 PolarHBondContact O-N 3.02Å; K349-L361 HydrophobicContact CB-CD2 4.11Å; K349-L361 HydrophobicContact CD-CD2 4.45Å
350I96.9Very high96.4Very high0 Ų067.3 Ų67.30%037%0.366CS..Hα-helixtrans-61-42.8177.3-60.1177.4000111I343 F345 P346 L347 D348 F358 V375 I378 R379I343-I350 HydrophobicContact CG2-CD1 4.31Å; F345-I350 HydrophobicContact CD2-CD1 4.07Å; F345-I350 HydrophobicContact CD2-CG1 3.73Å; F345-I350 HydrophobicContact CE2-CD1 3.8Å; F345-I350 HydrophobicContact CE2-CG1 3.57Å; P346-I350 PolarHBondContact O-N 3.19Å; L347-I350 HydrophobicContact CG-CD1 4.45Å; L347-I350 WeakPolarHBondContact O-CB 3.3Å; L347-I350 PolarHBondContact O-N 3.13Å; D348-I350 VanDerWaalsContact C-N 3.33Å; D348-I350 PolarHBondContact O-N 2.98Å; I350-F358 HydrophobicContact CG2-CE2 4.28Å; I350-V375 HydrophobicContact CD1-CG1 4.09Å; I350-V375 HydrophobicContact CD1-CG2 4.19Å; I350-V375 HydrophobicContact CG1-CG1 4.11Å; I350-V375 HydrophobicContact CG2-CG1 3.9Å; I350-V375 VanDerWaalsContact CG2-O 3.3Å; I350-V375 WeakPolarHBondContact CG2-O 3.38Å; I350-I378 HydrophobicContact CB-CG2 4.36Å; I350-I378 HydrophobicContact CD1-CG2 4.4Å; I350-I378 HydrophobicContact CG2-CB 4.11Å; I350-I378 HydrophobicContact CG2-CG2 3.77Å; I350-R379 HydrophobicContact CG2-CB 3.73Å; I350-R379 WeakPolarHBondContact O-CD 3.29Å; I350-R379 WeakPolarHBondContact O-CG 3.28Å; I350-R379 PolarHBondContact O-NE 3.23Å
351I97.1Very high96.4Very high35 Ų3564.2 Ų64.218%0.17934%0.338CS..Hα-helixtrans-86.6-41.7-171.8-61.3169.6000111.6L347 D348 K349 I378 K383L347-I351 WeakPolarHBondContact O-CG1 3.49Å; L347-I351 PolarHBondContact O-N 2.93Å; D348-I351 PolarHBondContact O-N 3.42Å; K349-I351 VanDerWaalsContact C-N 3.32Å; K349-I351 PolarHBondContact O-N 3.3Å; I351-I378 HydrophobicContact CG1-CG2 4.38Å; I351-K383 WeakPolarHBondContact O-CE 3.33Å; I351-K383 PolarHBondContact O-NZ 3.18Å
352N97.3Very high96.4Very high87 Ų8762 Ų6247%0.46533%0.327SS..Hα-helixtrans-91.9-28-166.2-63.1-30.8000113.7D348D348-N352 VanDerWaalsContact O-CB 3.28Å; D348-N352 WeakPolarHBondContact O-CB 3.31Å; D348-N352 PolarHBondContact O-N 3.18Å; D348-N352 PolarHBondContact O-ND2 3.01Å; D348-N352 PolarHBondContact OD1-ND2 3.46Å; D348-N352 PolarHBondContact OD2-ND2 2.94Å
353L97.3Very high96.3Very high42 Ų4259.4 Ų59.422%0.2233%0.325CS..SBendtrans-61.1141.3-177.5-72.7175.9000112.2K349 D357 F358 L361 R379K349-L353 HydrophobicContact CB-CD1 3.93Å; K349-L353 HydrophobicContact CB-CG 4.32Å; K349-L353 HydrophobicContact CG-CD1 4.43Å; K349-L353 VanDerWaalsContact O-CB 3.28Å; K349-L353 WeakPolarHBondContact O-CB 3.38Å; K349-L353 WeakPolarHBondContact O-CD1 3.17Å; K349-L353 WeakPolarHBondContact O-CG 3.48Å; K349-L353 PolarHBondContact O-N 3.02Å; L353-D357 HydrophobicContact CB-CB 4.4Å; L353-D357 HydrophobicContact CD2-CB 4.08Å; L353-F358 HydrophobicContact CB-CB 4.05Å; L353-L361 HydrophobicContact CD1-CB 4.4Å; L353-L361 HydrophobicContact CD1-CD2 3.76Å; L353-R379 PolarHBondContact O-NH2 3.02Å
354P96.6Very high96.2Very high67 Ų6764 Ų6444%0.43535%0.347SS..  trans-61.1165.5168.329-33.4000110.1D356 D357 F358P354-D356 VanDerWaalsContact C-N 3.3Å; P354-D356 PolarHBondContact O-N 3Å; P354-D357 WeakPolarHBondContact CD-OD2 3.35Å; P354-D357 HydrophobicContact CG-CB 3.92Å; P354-D357 VanDerWaalsContact CG-CG 3.48Å; P354-D357 WeakPolarHBondContact CG-OD2 3.14Å; P354-F358 WeakPolarHBondContact O-CB 3.4Å; P354-F358 PolarHBondContact O-N 3.22Å
355V96.2Very high96.1Very high75 Ų7565.5 Ų65.546%0.45535%0.345SS..Hα-helixtrans-62.6-37.8-171.6650000112.6N359V355-N359 WeakPolarHBondContact O-CB 3.49Å; V355-N359 PolarHBondContact O-N 2.96Å; V355-N359 PolarHBondContact O-ND2 3.36Å
356D97.1Very high96.1Very high116 Ų11672 Ų7262%0.6239%0.386SS*.Hα-helixtrans-69.7-55.2-177.4-54.5-45000111.2P354 F358 N359 E360P354-D356 VanDerWaalsContact C-N 3.3Å; P354-D356 PolarHBondContact O-N 3Å; D356-F358 PolarHBondContact O-N 3.14Å; D356-N359 WeakPolarHBondContact O-CB 3.44Å; D356-N359 PolarHBondContact O-N 3.27Å; D356-E360 PolarHBondContact O-N 2.89Å
357D97.4Very high96Very high77 Ų7769.7 Ų69.741%0.41237%0.369SS..Hα-helixtrans-59.1-34.2176-55.8-0.3000112.5L353 P354 L361L353-D357 HydrophobicContact CB-CB 4.4Å; L353-D357 HydrophobicContact CD2-CB 4.08Å; P354-D357 WeakPolarHBondContact CD-OD2 3.35Å; P354-D357 HydrophobicContact CG-CB 3.92Å; P354-D357 VanDerWaalsContact CG-CG 3.48Å; P354-D357 WeakPolarHBondContact CG-OD2 3.14Å; D357-L361 VanDerWaalsContact O-CB 3.27Å; D357-L361 WeakPolarHBondContact O-CB 3.48Å; D357-L361 PolarHBondContact O-N 3.01Å
358F97.3Very high96.1Very high6 Ų672 Ų723%0.02638%0.384CS..Hα-helixtrans-67.6-43.5175.2173.2-101.9000111.3I350 L353 P354 D356 L361 L362 V375I350-F358 HydrophobicContact CG2-CE2 4.28Å; L353-F358 HydrophobicContact CB-CB 4.05Å; P354-F358 WeakPolarHBondContact O-CB 3.4Å; P354-F358 PolarHBondContact O-N 3.22Å; D356-F358 PolarHBondContact O-N 3.14Å; F358-L361 WeakPolarHBondContact O-CB 3.39Å; F358-L361 PolarHBondContact O-N 3.39Å; F358-L362 HydrophobicContact CD1-CD1 4.16Å; F358-L362 HydrophobicContact CE1-CD1 3.49Å; F358-L362 VanDerWaalsContact CE1-CD1 3.49Å; F358-L362 HydrophobicContact CE1-CG 4.12Å; F358-L362 HydrophobicContact CE2-CD1 4.44Å; F358-L362 HydrophobicContact CE2-CD2 4.28Å; F358-L362 HydrophobicContact CE2-CG 4.32Å; F358-L362 HydrophobicContact CZ-CD1 3.66Å; F358-L362 HydrophobicContact CZ-CD2 4.15Å; F358-L362 HydrophobicContact CZ-CG 4.03Å; F358-L362 WeakPolarHBondContact O-CG 3.4Å; F358-L362 PolarHBondContact O-N 2.69Å; F358-V375 HydrophobicContact CE2-CG1 3.76Å; F358-V375 HydrophobicContact CZ-CG1 3.76Å
359N95.9Very high96.1Very high79 Ų7973.7 Ų73.742%0.42239%0.393SS..Hα-helixtrans-65.1-41.7176.2-71.6-25.4000110.9V355 D356 L361 L362 T363V355-N359 WeakPolarHBondContact O-CB 3.49Å; V355-N359 PolarHBondContact O-N 2.96Å; V355-N359 PolarHBondContact O-ND2 3.36Å; D356-N359 WeakPolarHBondContact O-CB 3.44Å; D356-N359 PolarHBondContact O-N 3.27Å; N359-L361 PolarHBondContact O-N 3.1Å; N359-L362 PolarHBondContact O-N 3.47Å; N359-L362 VanDerWaalsContact O-N 3.14Å; N359-T363 WeakPolarHBondContact O-CG2 3.34Å; N359-T363 PolarHBondContact O-N 3.49Å
360E96.9Very high96.1Very high112 Ų11273.3 Ų73.352%0.52340%0.4SS..Hα-helixtrans-58.7-48.5173.8-167.5-169.3156.500110.8D356 L362 T363 Q364D356-E360 PolarHBondContact O-N 2.89Å; E360-L362 VanDerWaalsContact C-N 3.26Å; E360-L362 PolarHBondContact O-N 2.99Å; E360-T363 PolarHBondContact O-N 3.34Å; E360-T363 PolarHBondContact O-OG1 2.94Å; E360-Q364 WeakPolarHBondContact O-CG 3.36Å; E360-Q364 PolarHBondContact O-N 3.44Å; E360-Q364 VanDerWaalsContact O-N 3.1Å; E360-Q364 PolarHBondContact OE1-NE2 2.86Å
361L95.4Very high96.2Very high13 Ų1374.9 Ų74.97%0.06841%0.407CS..Hα-helixtrans-55.8-41.5175-177.671.6000111.5F345 K349 L353 D357 F358 N359 T363 Q364 Y365F345-L361 HydrophobicContact CB-CD2 4.44Å; F345-L361 HydrophobicContact CD1-CD1 4.28Å; F345-L361 HydrophobicContact CD1-CD2 4.16Å; F345-L361 HydrophobicContact CD1-CG 4.13Å; F345-L361 HydrophobicContact CD2-CD2 4.03Å; F345-L361 HydrophobicContact CE1-CD2 4.45Å; F345-L361 HydrophobicContact CE1-CG 4.3Å; F345-L361 HydrophobicContact CE2-CD2 4.34Å; F345-L361 HydrophobicContact CG-CD2 3.94Å; F345-L361 HydrophobicContact CG-CG 4.4Å; K349-L361 HydrophobicContact CB-CD2 4.11Å; K349-L361 HydrophobicContact CD-CD2 4.45Å; L353-L361 HydrophobicContact CD1-CB 4.4Å; L353-L361 HydrophobicContact CD1-CD2 3.76Å; D357-L361 VanDerWaalsContact O-CB 3.27Å; D357-L361 WeakPolarHBondContact O-CB 3.48Å; D357-L361 PolarHBondContact O-N 3.01Å; F358-L361 WeakPolarHBondContact O-CB 3.39Å; F358-L361 PolarHBondContact O-N 3.39Å; N359-L361 PolarHBondContact O-N 3.1Å; L361-T363 VanDerWaalsContact C-N 3.33Å; L361-T363 PolarHBondContact O-N 3.01Å; L361-Q364 PolarHBondContact O-N 2.83Å; L361-Y365 HydrophobicContact CD1-CD2 4.43Å; L361-Y365 HydrophobicContact CD1-CE2 3.81Å; L361-Y365 VanDerWaalsContact O-CD2 3.31Å; L361-Y365 WeakPolarHBondContact O-CD2 3.43Å
362L95.7Very high96.2Very high23 Ų2374.9 Ų74.912%0.1241%0.407CS..Hα-helixtrans-66.3-32.5176.7-67.9-175.1000112.9F345 F358 N359 E360 L367 L372 V375F345-L362 HydrophobicContact CZ-CD2 3.98Å; F358-L362 HydrophobicContact CD1-CD1 4.16Å; F358-L362 HydrophobicContact CE1-CD1 3.49Å; F358-L362 VanDerWaalsContact CE1-CD1 3.49Å; F358-L362 HydrophobicContact CE1-CG 4.12Å; F358-L362 HydrophobicContact CE2-CD1 4.44Å; F358-L362 HydrophobicContact CE2-CD2 4.28Å; F358-L362 HydrophobicContact CE2-CG 4.32Å; F358-L362 HydrophobicContact CZ-CD1 3.66Å; F358-L362 HydrophobicContact CZ-CD2 4.15Å; F358-L362 HydrophobicContact CZ-CG 4.03Å; F358-L362 WeakPolarHBondContact O-CG 3.4Å; F358-L362 PolarHBondContact O-N 2.69Å; N359-L362 PolarHBondContact O-N 3.47Å; N359-L362 VanDerWaalsContact O-N 3.14Å; E360-L362 VanDerWaalsContact C-N 3.26Å; E360-L362 PolarHBondContact O-N 2.99Å; L362-L367 HydrophobicContact CD2-CD1 3.8Å; L362-L372 HydrophobicContact CD1-CD2 4.13Å; L362-V375 HydrophobicContact CD2-CG1 3.99Å
363T94.4Very high96.2Very high115 Ų11573.4 Ų73.471%0.70641%0.407SS*.Hα-helixtrans-74.6-24.9177.460.80000113.7N359 E360 L361 Y365N359-T363 WeakPolarHBondContact O-CG2 3.34Å; N359-T363 PolarHBondContact O-N 3.49Å; E360-T363 PolarHBondContact O-N 3.34Å; E360-T363 PolarHBondContact O-OG1 2.94Å; L361-T363 VanDerWaalsContact C-N 3.33Å; L361-T363 PolarHBondContact O-N 3.01Å; T363-Y365 VanDerWaalsContact C-N 3.26Å; T363-Y365 PolarHBondContact O-N 3.3Å
364Q94.4Very high96.2Very high117 Ų11772.3 Ų72.355%0.54740%0.401SS..Hα-helixtrans-71.6-18.2177.9-69.7174.85.700113.4E360 L361E360-Q364 WeakPolarHBondContact O-CG 3.36Å; E360-Q364 PolarHBondContact O-N 3.44Å; E360-Q364 VanDerWaalsContact O-N 3.1Å; E360-Q364 PolarHBondContact OE1-NE2 2.86Å; L361-Q364 PolarHBondContact O-N 2.83Å
365Y93.8Very high96.3Very high93 Ų9369.1 Ų69.137%0.36538%0.381SS..SBendtrans-121.8134.9-178.9-63-88.2000111.5P344 F345 L361 T363 L367P344-Y365 HydrophobicContact CB-CD1 3.67Å; P344-Y365 HydrophobicContact CB-CE1 3.63Å; P344-Y365 HydrophobicContact CB-CG 4.45Å; P344-Y365 HydrophobicContact CG-CD1 3.3Å; P344-Y365 HydrophobicContact CG-CD2 4.32Å; P344-Y365 HydrophobicContact CG-CE1 3.74Å; P344-Y365 HydrophobicContact CG-CG 3.64Å; F345-Y365 AromaticContact CD1-CD2 3.78Å; F345-Y365 HydrophobicContact CD1-CD2 3.78Å; F345-Y365 AromaticContact CD1-CE2 3.8Å; F345-Y365 HydrophobicContact CD1-CE2 3.8Å; F345-Y365 HydrophobicContact CD1-CG 4.39Å; F345-Y365 AromaticContact CE1-CD2 3.84Å; F345-Y365 HydrophobicContact CE1-CD2 3.84Å; F345-Y365 HydrophobicContact CE1-CE2 4.33Å; F345-Y365 HydrophobicContact CE1-CG 4.31Å; L361-Y365 HydrophobicContact CD1-CD2 4.43Å; L361-Y365 HydrophobicContact CD1-CE2 3.81Å; L361-Y365 VanDerWaalsContact O-CD2 3.31Å; L361-Y365 WeakPolarHBondContact O-CD2 3.43Å; T363-Y365 VanDerWaalsContact C-N 3.26Å; T363-Y365 PolarHBondContact O-N 3.3Å; Y365-L367 PolarHBondContact O-N 2.86Å
366T93.7Very high96.3Very high150 Ų15072.7 Ų72.792%0.9239%0.386SS*.  trans-7891.9171.356.40000109.8
367L94.7Very high96.3Very high26 Ų2669.3 Ų69.314%0.13637%0.368CS..  trans-95.7143.4178.3-59.7176000111.3P344 F345 L362 Y365 Q371 L372P344-L367 HydrophobicContact CG-CD2 4.12Å; F345-L367 HydrophobicContact CE1-CD1 4.2Å; F345-L367 HydrophobicContact CZ-CD1 4Å; L362-L367 HydrophobicContact CD2-CD1 3.8Å; Y365-L367 PolarHBondContact O-N 2.86Å; L367-Q371 HydrophobicContact CB-CB 4.21Å; L367-Q371 HydrophobicContact CD2-CB 4.45Å; L367-L372 HydrophobicContact CB-CD1 4.04Å; L367-L372 HydrophobicContact CB-CG 4.14Å; L367-L372 HydrophobicContact CD1-CG 4.49Å
368T96.9Very high96.3Very high73 Ų7365.7 Ų65.745%0.44835%0.349SS..  trans-72.2158.6169.758.60000111.4T370 Q371 L372T368-T370 PolarHBondContact O-N 2.83Å; T368-T370 PolarHBondContact OG1-OG1 3.33Å; T368-Q371 WeakPolarHBondContact O-CB 3.49Å; T368-Q371 PolarHBondContact O-N 2.88Å; T368-Q371 VanDerWaalsContact OG1-CD 3.22Å; T368-Q371 VanDerWaalsContact OG1-CG 3.24Å; T368-Q371 WeakPolarHBondContact OG1-CG 3.43Å; T368-Q371 PolarHBondContact OG1-N 2.84Å; T368-Q371 PolarHBondContact OG1-OE1 3.06Å; T368-L372 PolarHBondContact O-N 3.5Å
369D96.9Very high96.4Very high141 Ų14167.5 Ų67.575%0.75436%0.355SS*.Hα-helixtrans-56.5-37.1179.2-66.5-36.3000112.9L372 A373D369-L372 PolarHBondContact O-N 3.22Å; D369-A373 WeakPolarHBondContact O-CB 3.08Å; D369-A373 PolarHBondContact O-N 3.33Å
370T97.3Very high96.5Very high93 Ų9371.4 Ų71.457%0.57136%0.364SS*.Hα-helixtrans-68-38.8177.756.80000112.2T368 L374T368-T370 PolarHBondContact O-N 2.83Å; T368-T370 PolarHBondContact OG1-OG1 3.33Å; T370-L374 PolarHBondContact O-N 2.89Å; T370-L374 VanDerWaalsContact O-N 3.08Å
371Q97.6Very high96.5Very high32 Ų3268.7 Ų68.715%0.1535%0.349CS..Hα-helixtrans-66.3-45.3173-73166.9-35.900111.3L341 I343 L367 T368 A373 L374 V375L341-Q371 HydrophobicContact CB-CG 4.1Å; L341-Q371 HydrophobicContact CD1-CG 4.46Å; L341-Q371 PolarHBondContact O-NE2 3.01Å; I343-Q371 HydrophobicContact CD1-CB 3.65Å; I343-Q371 HydrophobicContact CD1-CG 3.71Å; L367-Q371 HydrophobicContact CB-CB 4.21Å; L367-Q371 HydrophobicContact CD2-CB 4.45Å; T368-Q371 WeakPolarHBondContact O-CB 3.49Å; T368-Q371 PolarHBondContact O-N 2.88Å; T368-Q371 VanDerWaalsContact OG1-CD 3.22Å; T368-Q371 VanDerWaalsContact OG1-CG 3.24Å; T368-Q371 WeakPolarHBondContact OG1-CG 3.43Å; T368-Q371 PolarHBondContact OG1-N 2.84Å; T368-Q371 PolarHBondContact OG1-OE1 3.06Å; Q371-A373 PolarHBondContact O-N 2.78Å; Q371-L374 PolarHBondContact O-N 2.77Å; Q371-V375 VanDerWaalsContact O-CG2 3.27Å; Q371-V375 WeakPolarHBondContact O-CG2 3.44Å; Q371-V375 PolarHBondContact O-N 2.97Å
372L97.4Very high96.6Very high35 Ų3568.5 Ų68.518%0.18335%0.35CS..Hα-helixtrans-59.2-44.5176.4-97.7143.1000112.1L362 L367 T368 D369 V375 R376L362-L372 HydrophobicContact CD1-CD2 4.13Å; L367-L372 HydrophobicContact CB-CD1 4.04Å; L367-L372 HydrophobicContact CB-CG 4.14Å; L367-L372 HydrophobicContact CD1-CG 4.49Å; T368-L372 PolarHBondContact O-N 3.5Å; D369-L372 PolarHBondContact O-N 3.22Å; L372-V375 PolarHBondContact O-N 3.06Å; L372-R376 WeakPolarHBondContact O-CB 3.11Å; L372-R376 WeakPolarHBondContact O-CG 3.48Å; L372-R376 PolarHBondContact O-N 2.85Å
373A97.6Very high96.7Very high57 Ų5771.7 Ų71.747%0.47136%0.363SS..Hα-helixtrans-60.3-45.517500000111.5D369 Q371 D377D369-A373 WeakPolarHBondContact O-CB 3.08Å; D369-A373 PolarHBondContact O-N 3.33Å; Q371-A373 PolarHBondContact O-N 2.78Å; A373-D377 WeakPolarHBondContact O-CB 3.27Å; A373-D377 PolarHBondContact O-N 2.78Å
374L97.6Very high96.8Very high18 Ų1871.6 Ų71.69%0.09436%0.358CS..Hα-helixtrans-61-48.6176.1178.265.8000111.5K337 L341 I343 T370 Q371 R376 D377 I378K337-L374 HydrophobicContact CB-CD1 3.99Å; K337-L374 HydrophobicContact CB-CD2 3.9Å; K337-L374 HydrophobicContact CD-CD1 4.1Å; L341-L374 HydrophobicContact CB-CD2 4.35Å; L341-L374 HydrophobicContact CD1-CB 4.11Å; L341-L374 HydrophobicContact CD1-CD2 3.6Å; L341-L374 HydrophobicContact CD1-CG 4.44Å; L341-L374 HydrophobicContact CG-CD2 4.17Å; I343-L374 HydrophobicContact CG1-CD2 4.47Å; T370-L374 PolarHBondContact O-N 2.89Å; T370-L374 VanDerWaalsContact O-N 3.08Å; Q371-L374 PolarHBondContact O-N 2.77Å; L374-R376 PolarHBondContact O-N 2.91Å; L374-D377 PolarHBondContact O-N 3.01Å; L374-I378 HydrophobicContact CD1-CD1 3.91Å; L374-I378 HydrophobicContact CD1-CG1 4.02Å; L374-I378 HydrophobicContact CD2-CD1 4.22Å; L374-I378 HydrophobicContact CG-CD1 3.74Å; L374-I378 HydrophobicContact CG-CG1 4.22Å; L374-I378 WeakPolarHBondContact O-CB 3.45Å; L374-I378 VanDerWaalsContact O-CG1 3.26Å; L374-I378 WeakPolarHBondContact O-CG1 3.31Å; L374-I378 PolarHBondContact O-N 3.09Å
375V97.9Very high97Very high0 Ų072.6 Ų72.60%036%0.361CS..Hα-helixtrans-61.8-43.9-176.9172.10000111.1I343 F345 I350 F358 L362 Q371 L372 D377 I378 R379I343-V375 HydrophobicContact CD1-CG2 3.76Å; I343-V375 HydrophobicContact CG1-CG2 4.28Å; I343-V375 HydrophobicContact CG2-CG2 4.07Å; F345-V375 HydrophobicContact CE2-CG1 4.14Å; F345-V375 HydrophobicContact CE2-CG2 4.2Å; F345-V375 HydrophobicContact CZ-CG1 4.37Å; F345-V375 HydrophobicContact CZ-CG2 4.26Å; I350-V375 HydrophobicContact CD1-CG1 4.09Å; I350-V375 HydrophobicContact CD1-CG2 4.19Å; I350-V375 HydrophobicContact CG1-CG1 4.11Å; I350-V375 HydrophobicContact CG2-CG1 3.9Å; I350-V375 VanDerWaalsContact CG2-O 3.3Å; I350-V375 WeakPolarHBondContact CG2-O 3.38Å; F358-V375 HydrophobicContact CE2-CG1 3.76Å; F358-V375 HydrophobicContact CZ-CG1 3.76Å; L362-V375 HydrophobicContact CD2-CG1 3.99Å; Q371-V375 VanDerWaalsContact O-CG2 3.27Å; Q371-V375 WeakPolarHBondContact O-CG2 3.44Å; Q371-V375 PolarHBondContact O-N 2.97Å; L372-V375 PolarHBondContact O-N 3.06Å; V375-D377 VanDerWaalsContact C-N 3.35Å; V375-D377 PolarHBondContact O-N 3.02Å; V375-I378 PolarHBondContact O-N 3.46Å; V375-R379 WeakPolarHBondContact O-CB 3.43Å; V375-R379 PolarHBondContact O-N 2.86Å
376R97Very high97.1Very high151 Ų15171.4 Ų71.457%0.5736%0.363SS*.Hα-helixtrans-61.7-43174.6-72.4174.8179.1141.4-1111.9L372 L374 R379 R380L372-R376 WeakPolarHBondContact O-CB 3.11Å; L372-R376 WeakPolarHBondContact O-CG 3.48Å; L372-R376 PolarHBondContact O-N 2.85Å; L374-R376 PolarHBondContact O-N 2.91Å; R376-R379 PolarHBondContact O-N 2.9Å; R376-R380 WeakPolarHBondContact O-CB 3.44Å; R376-R380 PolarHBondContact O-N 2.77Å
377D97.6Very high97.3Very high45 Ų4567 Ų6724%0.24134%0.342CS..Hα-helixtrans-67.9-39.8-179.8-174.249.4000112.5A373 L374 V375 R380 R381A373-D377 WeakPolarHBondContact O-CB 3.27Å; A373-D377 PolarHBondContact O-N 2.78Å; L374-D377 PolarHBondContact O-N 3.01Å; V375-D377 VanDerWaalsContact C-N 3.35Å; V375-D377 PolarHBondContact O-N 3.02Å; D377-R380 PolarHBondContact O-N 3.43Å; D377-R380 IonicContact OD1-CZ 3.74Å; D377-R380 IonicContact OD1-NE 2.79Å; D377-R380 PolarHBondContact OD1-NE 2.78Å; D377-R380 IonicContact OD1-NH2 2.69Å; D377-R380 PolarHBondContact OD1-NH2 2.91Å; D377-R381 WeakPolarHBondContact O-CB 3.49Å; D377-R381 WeakPolarHBondContact O-CG 3.21Å; D377-R381 PolarHBondContact O-N 3.45Å; D377-R381 IonicContact OD1-NE 3.81Å; D377-R381 PolarHBondContact OD1-NE 2.96Å; D377-R381 IonicContact OD2-CZ 3.45Å; D377-R381 IonicContact OD2-NE 3.06Å; D377-R381 PolarHBondContact OD2-NE 2.9Å; D377-R381 IonicContact OD2-NH2 2.88Å; D377-R381 PolarHBondContact OD2-NH2 3.44Å
378I97.3Very high97.5Very high1 Ų167.4 Ų67.41%0.00535%0.349CS..Hα-helixtrans-59-49170.9-69.6176.1000110.1D334 A338 L347 I350 I351 L374 V375 R380 R381 G382D334-I378 HydrophobicContact CB-CD1 4.01Å; D334-I378 HydrophobicContact CB-CG1 3.85Å; D334-I378 HydrophobicContact CB-CG2 4.48Å; A338-I378 HydrophobicContact CB-CD1 4.31Å; L347-I378 HydrophobicContact CD2-CG2 4.08Å; L347-I378 HydrophobicContact CG-CG2 4.03Å; I350-I378 HydrophobicContact CB-CG2 4.36Å; I350-I378 HydrophobicContact CD1-CG2 4.4Å; I350-I378 HydrophobicContact CG2-CB 4.11Å; I350-I378 HydrophobicContact CG2-CG2 3.77Å; I351-I378 HydrophobicContact CG1-CG2 4.38Å; L374-I378 HydrophobicContact CD1-CD1 3.91Å; L374-I378 HydrophobicContact CD1-CG1 4.02Å; L374-I378 HydrophobicContact CD2-CD1 4.22Å; L374-I378 HydrophobicContact CG-CD1 3.74Å; L374-I378 HydrophobicContact CG-CG1 4.22Å; L374-I378 WeakPolarHBondContact O-CB 3.45Å; L374-I378 VanDerWaalsContact O-CG1 3.26Å; L374-I378 WeakPolarHBondContact O-CG1 3.31Å; L374-I378 PolarHBondContact O-N 3.09Å; V375-I378 PolarHBondContact O-N 3.46Å; I378-R380 PolarHBondContact O-N 3.35Å; I378-R381 PolarHBondContact O-N 2.87Å; I378-G382 PolarHBondContact O-N 3.37Å
379R97.9Very high97.6Very high43 Ų4369.2 Ų69.216%0.16235%0.353CS..Hα-helixtrans-59-49.2179-174.5165.6-169.1-120.73.1111.6I350 L353 V375 R376 R381 G382 K383I350-R379 HydrophobicContact CG2-CB 3.73Å; I350-R379 WeakPolarHBondContact O-CD 3.29Å; I350-R379 WeakPolarHBondContact O-CG 3.28Å; I350-R379 PolarHBondContact O-NE 3.23Å; L353-R379 PolarHBondContact O-NH2 3.02Å; V375-R379 WeakPolarHBondContact O-CB 3.43Å; V375-R379 PolarHBondContact O-N 2.86Å; R376-R379 PolarHBondContact O-N 2.9Å; R379-R381 PolarHBondContact O-N 3.39Å; R379-G382 PolarHBondContact O-N 3.22Å; R379-K383 HydrophobicContact CG-CG 4.43Å; R379-K383 WeakPolarHBondContact O-CB 3.35Å; R379-K383 WeakPolarHBondContact O-CG 3.15Å; R379-K383 PolarHBondContact O-N 3.41Å
380R97.9Very high97.7Very high162 Ų16266.5 Ų66.561%0.61134%0.338SS*.Hα-helixtrans-57-48178.6-175.4-177.56690.9-0.4111.6R376 D377 I378 N384R376-R380 WeakPolarHBondContact O-CB 3.44Å; R376-R380 PolarHBondContact O-N 2.77Å; D377-R380 PolarHBondContact O-N 3.43Å; D377-R380 IonicContact OD1-CZ 3.74Å; D377-R380 IonicContact OD1-NE 2.79Å; D377-R380 PolarHBondContact OD1-NE 2.78Å; D377-R380 IonicContact OD1-NH2 2.69Å; D377-R380 PolarHBondContact OD1-NH2 2.91Å; I378-R380 PolarHBondContact O-N 3.35Å; R380-N384 WeakPolarHBondContact O-CB 3.31Å; R380-N384 PolarHBondContact O-N 3.32Å
381R97.6Very high97.7Very high54 Ų5466 Ų6620%0.20434%0.338CS..Hα-helixtrans-68.1-40178.9-71.6-171.9-83.6132.50.1112.3D334 D377 I378 R379 N384 K385D334-R381 IonicContact OD1-CZ 3.46Å; D334-R381 IonicContact OD1-NH1 3.14Å; D334-R381 PolarHBondContact OD1-NH1 3.17Å; D334-R381 IonicContact OD1-NH2 2.81Å; D334-R381 PolarHBondContact OD1-NH2 2.95Å; D334-R381 IonicContact OD2-CZ 3.48Å; D334-R381 IonicContact OD2-NH1 3.44Å; D334-R381 PolarHBondContact OD2-NH1 3.27Å; D334-R381 IonicContact OD2-NH2 2.7Å; D377-R381 WeakPolarHBondContact O-CB 3.49Å; D377-R381 WeakPolarHBondContact O-CG 3.21Å; D377-R381 PolarHBondContact O-N 3.45Å; D377-R381 IonicContact OD1-NE 3.81Å; D377-R381 PolarHBondContact OD1-NE 2.96Å; D377-R381 IonicContact OD2-CZ 3.45Å; D377-R381 IonicContact OD2-NE 3.06Å; D377-R381 PolarHBondContact OD2-NE 2.9Å; D377-R381 IonicContact OD2-NH2 2.88Å; D377-R381 PolarHBondContact OD2-NH2 3.44Å; I378-R381 PolarHBondContact O-N 2.87Å; R379-R381 PolarHBondContact O-N 3.39Å; R381-N384 PolarHBondContact O-N 3.17Å; R381-K385 WeakPolarHBondContact O-CB 3.42Å; R381-K385 PolarHBondContact O-N 3.05Å
382G97.3Very high97.8Very high10 Ų1073 Ų7310%0.10336%0.362CS..Hα-helixtrans-61.4-49174.900000112.6I378 R379 N384 K385 V386I378-G382 PolarHBondContact O-N 3.37Å; R379-G382 PolarHBondContact O-N 3.22Å; G382-N384 PolarHBondContact O-N 3.31Å; G382-K385 WeakPolarHBondContact O-CB 3.28Å; G382-K385 PolarHBondContact O-N 3.47Å; G382-V386 WeakPolarHBondContact O-CG2 3.37Å; G382-V386 PolarHBondContact O-N 2.88Å; G382-V386 VanDerWaalsContact O-N 3.08Å
383K97.1Very high97.9Very high89 Ų8976.9 Ų76.939%0.38738%0.378SS..Hα-helixtrans-61.3-43.2175.2-69.6-63.5-162.3-161.60111.8I351 R379 K385 V386 A387I351-K383 WeakPolarHBondContact O-CE 3.33Å; I351-K383 PolarHBondContact O-NZ 3.18Å; R379-K383 HydrophobicContact CG-CG 4.43Å; R379-K383 WeakPolarHBondContact O-CB 3.35Å; R379-K383 WeakPolarHBondContact O-CG 3.15Å; R379-K383 PolarHBondContact O-N 3.41Å; K383-K385 VanDerWaalsContact C-N 3.34Å; K383-K385 PolarHBondContact O-N 3.42Å; K383-V386 PolarHBondContact O-N 2.81Å; K383-A387 WeakPolarHBondContact O-CB 3.28Å; K383-A387 PolarHBondContact O-N 2.87Å
384N98.3Very high97.9Very high113 Ų11382.3 Ų82.360%0.60439%0.386SS*.Hα-helixtrans-62.1-40.8176.8-174.3-81000112R380 R381 G382 V386 A387 A388R380-N384 WeakPolarHBondContact O-CB 3.31Å; R380-N384 PolarHBondContact O-N 3.32Å; R381-N384 PolarHBondContact O-N 3.17Å; G382-N384 PolarHBondContact O-N 3.31Å; N384-V386 PolarHBondContact O-N 3.28Å; N384-A387 PolarHBondContact O-N 2.98Å; N384-A388 WeakPolarHBondContact O-CB 3.37Å; N384-A388 PolarHBondContact O-N 3.43Å
385K97.3Very high98Very high139 Ų13988 Ų8860%0.60441%0.41SS*.Hα-helixtrans-58.2-47.1174.5-176.7-177.8178.4-175.70111.5R381 G382 K383 A388 Q389R381-K385 WeakPolarHBondContact O-CB 3.42Å; R381-K385 PolarHBondContact O-N 3.05Å; G382-K385 WeakPolarHBondContact O-CB 3.28Å; G382-K385 PolarHBondContact O-N 3.47Å; K383-K385 VanDerWaalsContact C-N 3.34Å; K383-K385 PolarHBondContact O-N 3.42Å; K385-A388 PolarHBondContact O-N 3.11Å; K385-Q389 WeakPolarHBondContact O-CG 3.37Å; K385-Q389 PolarHBondContact O-N 3.43Å
386V96.9Very high98Very high68 Ų6893.2 Ų93.241%0.41244%0.438SS..Hα-helixtrans-65.2-43.5177.2175.20000111G382 K383 N384 A388 Q389 N390G382-V386 WeakPolarHBondContact O-CG2 3.37Å; G382-V386 PolarHBondContact O-N 2.88Å; G382-V386 VanDerWaalsContact O-N 3.08Å; K383-V386 PolarHBondContact O-N 2.81Å; N384-V386 PolarHBondContact O-N 3.28Å; V386-A388 PolarHBondContact O-N 3.22Å; V386-Q389 WeakPolarHBondContact O-CB 3.47Å; V386-Q389 PolarHBondContact O-N 3.01Å; V386-N390 WeakPolarHBondContact O-CB 3.36Å; V386-N390 PolarHBondContact O-N 2.89Å
387A98.1Very high98.1Very high57 Ų5790.9 Ų90.947%0.47143%0.433SS..Hα-helixtrans-60.8-43.6178.100000112K383 N384 Q389 N390 C391K383-A387 WeakPolarHBondContact O-CB 3.28Å; K383-A387 PolarHBondContact O-N 2.87Å; N384-A387 PolarHBondContact O-N 2.98Å; A387-Q389 PolarHBondContact O-N 3.18Å; A387-N390 PolarHBondContact O-N 2.93Å; A387-C391 VanDerWaalsContact O-CB 3.28Å; A387-C391 WeakPolarHBondContact O-CB 3.32Å; A387-C391 PolarHBondContact O-N 2.96Å
388A98.7Very high98.2Very high35 Ų3591.4 Ų91.429%0.28944%0.44SS..Hα-helixtrans-63.4-41.1175.800000112N384 K385 V386 R392N384-A388 WeakPolarHBondContact O-CB 3.37Å; N384-A388 PolarHBondContact O-N 3.43Å; K385-A388 PolarHBondContact O-N 3.11Å; V386-A388 PolarHBondContact O-N 3.22Å; A388-R392 VanDerWaalsContact O-CG 3.29Å; A388-R392 WeakPolarHBondContact O-CG 3.38Å; A388-R392 PolarHBondContact O-N 2.87Å
389Q98.4Very high98.2Very high111 Ų11194.5 Ų94.552%0.51946%0.456SS..Hα-helixtrans-62.3-45.7173.8-74.8177.6-12.600111.6K385 V386 A387 R392 K393K385-Q389 WeakPolarHBondContact O-CG 3.37Å; K385-Q389 PolarHBondContact O-N 3.43Å; V386-Q389 WeakPolarHBondContact O-CB 3.47Å; V386-Q389 PolarHBondContact O-N 3.01Å; A387-Q389 PolarHBondContact O-N 3.18Å; Q389-R392 PolarHBondContact O-N 3.39Å; Q389-K393 WeakPolarHBondContact O-CB 2.8Å; Q389-K393 PolarHBondContact O-N 3.42Å
390N98.6Very high98.3Very high83 Ų8395.9 Ų95.944%0.44447%0.469SS..Hα-helixtrans-67.4-37.4-179.6-134.3-31.7000111.8V386 A387 K393 R394V386-N390 WeakPolarHBondContact O-CB 3.36Å; V386-N390 PolarHBondContact O-N 2.89Å; A387-N390 PolarHBondContact O-N 2.93Å; N390-K393 PolarHBondContact O-N 3.49Å; N390-R394 WeakPolarHBondContact O-CB 3.43Å; N390-R394 PolarHBondContact O-N 2.91Å
391C98.7Very high98.3Very high84 Ų8492.1 Ų92.157%0.56846%0.458SS*.Hα-helixtrans-61.4-48.1172.9-177.70000111.5A387 R394 K395A387-C391 VanDerWaalsContact O-CB 3.28Å; A387-C391 WeakPolarHBondContact O-CB 3.32Å; A387-C391 PolarHBondContact O-N 2.96Å; C391-R394 PolarHBondContact O-N 3.28Å; C391-K395 WeakPolarHBondContact O-CB 3.42Å; C391-K395 PolarHBondContact O-N 3.46Å
392R98.8Very high98.4Very high177 Ų17794.2 Ų94.267%0.66847%0.473SS*.Hα-helixtrans-62.3-43.8175.4-70.8171.4-174.7175.41.4111.8A388 Q389 K395 L396A388-R392 VanDerWaalsContact O-CG 3.29Å; A388-R392 WeakPolarHBondContact O-CG 3.38Å; A388-R392 PolarHBondContact O-N 2.87Å; Q389-R392 PolarHBondContact O-N 3.39Å; R392-K395 PolarHBondContact O-N 3.41Å; R392-L396 WeakPolarHBondContact O-CG 3.4Å; R392-L396 PolarHBondContact O-N 3.43Å
393K98.6Very high98.4Very high117 Ų11798.8 Ų98.851%0.50949%0.492SS..Hα-helixtrans-57-53.8176.2178.7178.7170.6-179.90110.7Q389 N390 K395 L396 E397Q389-K393 WeakPolarHBondContact O-CB 2.8Å; Q389-K393 PolarHBondContact O-N 3.42Å; N390-K393 PolarHBondContact O-N 3.49Å; K393-K395 VanDerWaalsContact C-N 3.31Å; K393-K395 PolarHBondContact O-N 3.21Å; K393-L396 PolarHBondContact O-N 3.37Å; K393-E397 WeakPolarHBondContact CE-OE1 3.46Å; K393-E397 HydrophobicContact CG-CG 4.44Å; K393-E397 IonicContact NZ-OE1 3.91Å; K393-E397 WeakPolarHBondContact O-CG 3.39Å; K393-E397 PolarHBondContact O-N 3.41Å
394R98.8Very high98.5Very high172 Ų172101.4 Ų101.465%0.64950%0.499SS*.Hα-helixtrans-60.1-39.8178.7-170.2-175.7-62.6156.7-1.2112.3N390 C391 E397 S398N390-R394 WeakPolarHBondContact O-CB 3.43Å; N390-R394 PolarHBondContact O-N 2.91Å; C391-R394 PolarHBondContact O-N 3.28Å; R394-E397 PolarHBondContact O-N 3.33Å; R394-S398 WeakPolarHBondContact O-CB 3.39Å; R394-S398 PolarHBondContact O-N 2.9Å
395K98.8Very high98.5Very high136 Ų136100.3 Ų100.359%0.59149%0.49SS*.Hα-helixtrans-63.4-43.8177-175.163.7178179.70111.5C391 R392 K393 S398 I399C391-K395 WeakPolarHBondContact O-CB 3.42Å; C391-K395 PolarHBondContact O-N 3.46Å; R392-K395 PolarHBondContact O-N 3.41Å; K393-K395 VanDerWaalsContact C-N 3.31Å; K393-K395 PolarHBondContact O-N 3.21Å; K395-S398 PolarHBondContact O-N 2.96Å; K395-I399 HydrophobicContact CG-CD1 4.29Å; K395-I399 VanDerWaalsContact O-CG1 3.31Å; K395-I399 WeakPolarHBondContact O-CG1 3.37Å; K395-I399 PolarHBondContact O-N 2.97Å
396L98.8Very high98.6Very high111 Ų11198.7 Ų98.758%0.58149%0.488SS*.Hα-helixtrans-66.7-42.7176.5-70.3171.3000111.8R392 K393 S398 I399 V400R392-L396 WeakPolarHBondContact O-CG 3.4Å; R392-L396 PolarHBondContact O-N 3.43Å; K393-L396 PolarHBondContact O-N 3.37Å; L396-S398 VanDerWaalsContact C-N 3.3Å; L396-S398 PolarHBondContact O-N 3.23Å; L396-I399 PolarHBondContact O-N 3.41Å; L396-V400 WeakPolarHBondContact O-CG2 3.38Å; L396-V400 PolarHBondContact O-N 2.91Å
397E98.7Very high98.7Very high102 Ų102100 Ų10048%0.47749%0.493SS..Hα-helixtrans-60.1-40.8175.1-73.5171.5166.900111.9K393 R394 V400 H401K393-E397 WeakPolarHBondContact CE-OE1 3.46Å; K393-E397 HydrophobicContact CG-CG 4.44Å; K393-E397 IonicContact NZ-OE1 3.91Å; K393-E397 WeakPolarHBondContact O-CG 3.39Å; K393-E397 PolarHBondContact O-N 3.41Å; R394-E397 PolarHBondContact O-N 3.33Å; E397-V400 PolarHBondContact O-N 3.47Å; E397-H401 WeakPolarHBondContact O-CB 3.49Å; E397-H401 PolarHBondContact O-N 3.46Å
398S98.8Very high98.7Very high55 Ų55102.6 Ų102.639%0.38550%0.495SS..Hα-helixtrans-64.3-42.5175.1174.50000112.1R394 K395 L396 H401 L402R394-S398 WeakPolarHBondContact O-CB 3.39Å; R394-S398 PolarHBondContact O-N 2.9Å; K395-S398 PolarHBondContact O-N 2.96Å; L396-S398 VanDerWaalsContact C-N 3.3Å; L396-S398 PolarHBondContact O-N 3.23Å; S398-H401 PolarHBondContact O-N 3.23Å; S398-L402 VanDerWaalsContact O-CG 3.32Å; S398-L402 WeakPolarHBondContact O-CG 3.24Å; S398-L402 PolarHBondContact O-N 3.16Å
399I98.8Very high98.7Very high66 Ų66106.2 Ų106.234%0.33851%0.509SS..Hα-helixtrans-60-50.9174.8-70163.9000110.2K395 L396 H401 L402 E403K395-I399 HydrophobicContact CG-CD1 4.29Å; K395-I399 VanDerWaalsContact O-CG1 3.31Å; K395-I399 WeakPolarHBondContact O-CG1 3.37Å; K395-I399 PolarHBondContact O-N 2.97Å; L396-I399 PolarHBondContact O-N 3.41Å; I399-H401 PolarHBondContact O-N 3.09Å; I399-L402 PolarHBondContact O-N 3.35Å; I399-E403 HydrophobicContact CG2-CG 4.39Å; I399-E403 WeakPolarHBondContact O-CG 3.28Å; I399-E403 PolarHBondContact O-N 3.34Å
400V98.8Very high98.8Very high73 Ų73104.6 Ų104.644%0.44250%0.501SS..Hα-helixtrans-61.9-33.1179.3171.70000112L396 E397 R404L396-V400 WeakPolarHBondContact O-CG2 3.38Å; L396-V400 PolarHBondContact O-N 2.91Å; E397-V400 PolarHBondContact O-N 3.47Å; V400-R404 WeakPolarHBondContact O-CG 3.36Å; V400-R404 PolarHBondContact O-N 3.09Å; V400-R404 PolarHBondContact O-NE 2.94Å
401H98.7Very high98.8Very high82 Ų82103.3 Ų103.338%0.3850%0.502SS..Hα-helixtrans-66.9-49174.2-179.236.6000112.2E397 S398 I399 E403 R404 E405E397-H401 WeakPolarHBondContact O-CB 3.49Å; E397-H401 PolarHBondContact O-N 3.46Å; S398-H401 PolarHBondContact O-N 3.23Å; I399-H401 PolarHBondContact O-N 3.09Å; H401-E403 VanDerWaalsContact C-N 3.31Å; H401-E403 PolarHBondContact O-N 2.94Å; H401-R404 WeakPolarHBondContact O-CB 3.47Å; H401-R404 PolarHBondContact O-N 3Å; H401-R404 VanDerWaalsContact O-N 3.11Å; H401-E405 IonicContact CE1-OE1 3.5Å; H401-E405 IonicContact NE2-OE1 3.66Å; H401-E405 IonicContact NE2-OE2 3.8Å; H401-E405 PolarHBondContact O-N 3.36Å
402L98.8Very high98.8Very high98 Ų98103.7 Ų103.751%0.51350%0.496SS..Hα-helixtrans-62.4-38.9178.2-69.6170.1000111.9S398 I399 R404 E405 L406S398-L402 VanDerWaalsContact O-CG 3.32Å; S398-L402 WeakPolarHBondContact O-CG 3.24Å; S398-L402 PolarHBondContact O-N 3.16Å; I399-L402 PolarHBondContact O-N 3.35Å; L402-R404 VanDerWaalsContact C-N 3.31Å; L402-R404 PolarHBondContact O-N 3.36Å; L402-E405 PolarHBondContact O-N 3.25Å; L402-L406 WeakPolarHBondContact O-CB 3.36Å; L402-L406 PolarHBondContact O-N 2.93Å
403E98.8Very high98.8Very high106 Ų106102.7 Ų102.750%0.49549%0.492SS..Hα-helixtrans-60.1-41173.8-73.9172.2171.300111.7I399 H401 N407I399-E403 HydrophobicContact CG2-CG 4.39Å; I399-E403 WeakPolarHBondContact O-CG 3.28Å; I399-E403 PolarHBondContact O-N 3.34Å; H401-E403 VanDerWaalsContact C-N 3.31Å; H401-E403 PolarHBondContact O-N 2.94Å; E403-N407 WeakPolarHBondContact O-CB 3.47Å; E403-N407 VanDerWaalsContact O-CG 3.3Å; E403-N407 PolarHBondContact O-N 3.22Å; E403-N407 PolarHBondContact O-ND2 3.23Å
404R98.8Very high98.8Very high144 Ų144101.6 Ų101.654%0.54349%0.489SS..Hα-helixtrans-65.9-42.8175.6-76.7179.7-75.4121.9-9.5112.1V400 H401 L402 N407 H408V400-R404 WeakPolarHBondContact O-CG 3.36Å; V400-R404 PolarHBondContact O-N 3.09Å; V400-R404 PolarHBondContact O-NE 2.94Å; H401-R404 WeakPolarHBondContact O-CB 3.47Å; H401-R404 PolarHBondContact O-N 3Å; H401-R404 VanDerWaalsContact O-N 3.11Å; L402-R404 VanDerWaalsContact C-N 3.31Å; L402-R404 PolarHBondContact O-N 3.36Å; R404-N407 PolarHBondContact O-N 3.34Å; R404-H408 WeakPolarHBondContact O-CB 3.42Å; R404-H408 PolarHBondContact O-N 3.08Å
405E98.8Very high98.8Very high90 Ų9098.6 Ų98.642%0.42148%0.481SS..Hα-helixtrans-64.2-43.2177.5-69.2-171.5127.100111.9H401 L402 N407 H408 L409H401-E405 IonicContact CE1-OE1 3.5Å; H401-E405 IonicContact NE2-OE1 3.66Å; H401-E405 IonicContact NE2-OE2 3.8Å; H401-E405 PolarHBondContact O-N 3.36Å; L402-E405 PolarHBondContact O-N 3.25Å; E405-N407 PolarHBondContact O-N 3.44Å; E405-H408 WeakPolarHBondContact O-CB 3.41Å; E405-H408 PolarHBondContact O-N 2.94Å; E405-L409 WeakPolarHBondContact O-CG 3.42Å; E405-L409 PolarHBondContact O-N 3.28Å
406L98.8Very high98.8Very high105 Ų10597.2 Ų97.255%0.5548%0.48SS..Hα-helixtrans-59.4-47.8175.8-171.8158.9000111L402 H408 L409 Q410L402-L406 WeakPolarHBondContact O-CB 3.36Å; L402-L406 PolarHBondContact O-N 2.93Å; L406-H408 VanDerWaalsContact C-N 3.3Å; L406-H408 PolarHBondContact O-N 3.03Å; L406-L409 PolarHBondContact O-N 2.94Å; L406-Q410 WeakPolarHBondContact O-CB 3.33Å; L406-Q410 PolarHBondContact O-N 3.44Å
407N98.8Very high98.8Very high97 Ų9794.7 Ų94.752%0.51948%0.475SS..Hα-helixtrans-60.9-40.1177.1-75.9-49.2000112E403 R404 E405 Q410 A411E403-N407 WeakPolarHBondContact O-CB 3.47Å; E403-N407 VanDerWaalsContact O-CG 3.3Å; E403-N407 PolarHBondContact O-N 3.22Å; E403-N407 PolarHBondContact O-ND2 3.23Å; R404-N407 PolarHBondContact O-N 3.34Å; E405-N407 PolarHBondContact O-N 3.44Å; N407-Q410 PolarHBondContact O-N 3.46Å; N407-A411 WeakPolarHBondContact O-CB 3.44Å; N407-A411 PolarHBondContact O-N 3.45Å
408H98.8Very high98.8Very high111 Ų11195.5 Ų95.551%0.51448%0.479SS..Hα-helixtrans-62.9-49.3176.3-178.867.5000111.9R404 E405 L406 Q410 A411 Q412R404-H408 WeakPolarHBondContact O-CB 3.42Å; R404-H408 PolarHBondContact O-N 3.08Å; E405-H408 WeakPolarHBondContact O-CB 3.41Å; E405-H408 PolarHBondContact O-N 2.94Å; L406-H408 VanDerWaalsContact C-N 3.3Å; L406-H408 PolarHBondContact O-N 3.03Å; H408-Q410 VanDerWaalsContact C-N 3.29Å; H408-Q410 PolarHBondContact O-N 3.44Å; H408-A411 PolarHBondContact O-N 3.42Å; H408-Q412 VanDerWaalsContact NE2-CD 3.3Å; H408-Q412 PolarHBondContact NE2-NE2 3.36Å; H408-Q412 WeakPolarHBondContact O-CG 3.45Å; H408-Q412 PolarHBondContact O-N 3.39Å
409L98.9Very high98.8Very high111 Ų11196.4 Ų96.458%0.58148%0.477SS*.Hα-helixtrans-61.9-38177.6-71.1173.2000111.8E405 L406 Q412 R413E405-L409 WeakPolarHBondContact O-CG 3.42Å; E405-L409 PolarHBondContact O-N 3.28Å; L406-L409 PolarHBondContact O-N 2.94Å; L409-Q412 PolarHBondContact O-N 3.35Å; L409-R413 WeakPolarHBondContact O-CB 3.46Å; L409-R413 PolarHBondContact O-N 2.91Å
410Q98.8Very high98.8Very high77 Ų77101.9 Ų101.936%0.3649%0.494SS..Hα-helixtrans-63.7-46.4175.5179.4169.3-6.400111.6L406 N407 H408 Q412 R413 E414L406-Q410 WeakPolarHBondContact O-CB 3.33Å; L406-Q410 PolarHBondContact O-N 3.44Å; N407-Q410 PolarHBondContact O-N 3.46Å; H408-Q410 VanDerWaalsContact C-N 3.29Å; H408-Q410 PolarHBondContact O-N 3.44Å; Q410-Q412 VanDerWaalsContact C-N 3.33Å; Q410-Q412 PolarHBondContact O-N 2.98Å; Q410-R413 PolarHBondContact O-N 2.73Å; Q410-E414 VanDerWaalsContact CG-OE1 3.24Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.39Å; Q410-E414 PolarHBondContact NE2-OE1 2.91Å; Q410-E414 WeakPolarHBondContact O-CG 3.33Å; Q410-E414 PolarHBondContact O-N 2.96Å
411A98.8Very high98.8Very high56 Ų56102 Ų10246%0.46349%0.491SS..Hα-helixtrans-61.6-41176.500000111.8N407 H408 E414 H415N407-A411 WeakPolarHBondContact O-CB 3.44Å; N407-A411 PolarHBondContact O-N 3.45Å; H408-A411 PolarHBondContact O-N 3.42Å; A411-E414 PolarHBondContact O-N 3.46Å; A411-H415 WeakPolarHBondContact O-CB 3.37Å; A411-H415 PolarHBondContact O-N 3.37Å
412Q98.8Very high98.8Very high92 Ų92102.9 Ų102.943%0.4350%0.496SS..Hα-helixtrans-63.7-43.5175.2-73.9-175.5-43.900112.4H408 L409 Q410 E414 H415 L416H408-Q412 VanDerWaalsContact NE2-CD 3.3Å; H408-Q412 PolarHBondContact NE2-NE2 3.36Å; H408-Q412 WeakPolarHBondContact O-CG 3.45Å; H408-Q412 PolarHBondContact O-N 3.39Å; L409-Q412 PolarHBondContact O-N 3.35Å; Q410-Q412 VanDerWaalsContact C-N 3.33Å; Q410-Q412 PolarHBondContact O-N 2.98Å; Q412-E414 VanDerWaalsContact C-N 3.33Å; Q412-E414 PolarHBondContact O-N 2.94Å; Q412-H415 PolarHBondContact O-N 3.08Å; Q412-L416 WeakPolarHBondContact O-CG 3.46Å; Q412-L416 PolarHBondContact O-N 2.85Å
413R98.8Very high98.7Very high155 Ų155104.1 Ų104.159%0.58550%0.497SS*.Hα-helixtrans-59.9-44.7175.4-179.2-158.766.3178.4-2.4111.2L409 Q410 L416 A417L409-R413 WeakPolarHBondContact O-CB 3.46Å; L409-R413 PolarHBondContact O-N 2.91Å; Q410-R413 PolarHBondContact O-N 2.73Å; R413-L416 PolarHBondContact O-N 3.17Å; R413-A417 VanDerWaalsContact O-CB 3.28Å; R413-A417 WeakPolarHBondContact O-CB 3.35Å; R413-A417 PolarHBondContact O-N 3.29Å
414E98.8Very high98.7Very high95 Ų95104.1 Ų104.144%0.44450%0.497SS..Hα-helixtrans-64.4-42.5179-74.4168.7-164.200111.6Q410 A411 Q412 A417 Q418Q410-E414 VanDerWaalsContact CG-OE1 3.24Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.39Å; Q410-E414 PolarHBondContact NE2-OE1 2.91Å; Q410-E414 WeakPolarHBondContact O-CG 3.33Å; Q410-E414 PolarHBondContact O-N 2.96Å; A411-E414 PolarHBondContact O-N 3.46Å; Q412-E414 VanDerWaalsContact C-N 3.33Å; Q412-E414 PolarHBondContact O-N 2.94Å; E414-A417 PolarHBondContact O-N 2.99Å; E414-Q418 PolarHBondContact O-N 3.2Å
415H98.7Very high98.7Very high108 Ų108105.1 Ų105.150%0.550%0.501SS..Hα-helixtrans-58.1-52.7173.3-179.5-87.4000112.2A411 Q412 A417 Q418 E419A411-H415 WeakPolarHBondContact O-CB 3.37Å; A411-H415 PolarHBondContact O-N 3.37Å; Q412-H415 PolarHBondContact O-N 3.08Å; H415-A417 VanDerWaalsContact C-N 3.29Å; H415-A417 PolarHBondContact O-N 2.95Å; H415-Q418 WeakPolarHBondContact O-CB 3.1Å; H415-Q418 PolarHBondContact O-N 3.14Å; H415-Q418 VanDerWaalsContact O-N 3.09Å; H415-E419 IonicContact CE1-OE1 3.22Å; H415-E419 PolarHBondContact CE1-OE1 3.03Å; H415-E419 VanDerWaalsContact CE1-OE1 3.22Å; H415-E419 IonicContact CE1-OE2 3.98Å; H415-E419 IonicContact ND1-OE1 2.64Å; H415-E419 IonicContact ND1-OE2 3.53Å; H415-E419 PolarHBondContact O-N 2.98Å
416L98.8Very high98.7Very high107 Ų107102.2 Ų102.256%0.5649%0.49SS*.Hα-helixtrans-62.6-35.8178.9-70.9170.7000112.3Q412 R413 Q418 E419 R420Q412-L416 WeakPolarHBondContact O-CG 3.46Å; Q412-L416 PolarHBondContact O-N 2.85Å; R413-L416 PolarHBondContact O-N 3.17Å; L416-Q418 VanDerWaalsContact C-N 3.31Å; L416-E419 PolarHBondContact O-N 3.45Å; L416-R420 WeakPolarHBondContact O-CB 3.46Å; L416-R420 PolarHBondContact O-N 2.88Å
417A98.8Very high98.7Very high58 Ų58100.9 Ų100.948%0.47948%0.484SS..Hα-helixtrans-64.4-38.117500000111.6R413 E414 H415 L421R413-A417 VanDerWaalsContact O-CB 3.28Å; R413-A417 WeakPolarHBondContact O-CB 3.35Å; R413-A417 PolarHBondContact O-N 3.29Å; E414-A417 PolarHBondContact O-N 2.99Å; H415-A417 VanDerWaalsContact C-N 3.29Å; H415-A417 PolarHBondContact O-N 2.95Å; A417-L421 PolarHBondContact O-N 2.97Å; A417-L421 VanDerWaalsContact O-N 3.09Å
418Q98.8Very high98.7Very high119 Ų11999.8 Ų99.856%0.55648%0.481SS*.Hα-helixtrans-66.7-47.8174.8-175.6172.9-21.700111.6E414 H415 L416 R420 L421 E422E414-Q418 PolarHBondContact O-N 3.2Å; H415-Q418 WeakPolarHBondContact O-CB 3.1Å; H415-Q418 PolarHBondContact O-N 3.14Å; H415-Q418 VanDerWaalsContact O-N 3.09Å; L416-Q418 VanDerWaalsContact C-N 3.31Å; Q418-R420 VanDerWaalsContact C-N 3.31Å; Q418-R420 PolarHBondContact O-N 2.86Å; Q418-L421 WeakPolarHBondContact O-CB 3.43Å; Q418-L421 PolarHBondContact O-N 3.42Å; Q418-L421 VanDerWaalsContact O-N 3.08Å; Q418-E422 PolarHBondContact NE2-OE1 3.1Å; Q418-E422 WeakPolarHBondContact O-CG 3.37Å; Q418-E422 PolarHBondContact O-N 2.85Å
419E98.7Very high98.7Very high74 Ų74100.8 Ų100.835%0.34648%0.484SS..Hα-helixtrans-58-44.2176.3-70.4-176.2134.800111.6H415 L416 L421 E422 F423H415-E419 IonicContact CE1-OE1 3.22Å; H415-E419 PolarHBondContact CE1-OE1 3.03Å; H415-E419 VanDerWaalsContact CE1-OE1 3.22Å; H415-E419 IonicContact CE1-OE2 3.98Å; H415-E419 IonicContact ND1-OE1 2.64Å; H415-E419 IonicContact ND1-OE2 3.53Å; H415-E419 PolarHBondContact O-N 2.98Å; L416-E419 PolarHBondContact O-N 3.45Å; E419-L421 VanDerWaalsContact C-N 3.3Å; E419-L421 PolarHBondContact O-N 2.79Å; E419-E422 PolarHBondContact O-N 3.22Å; E419-E422 VanDerWaalsContact O-N 3.17Å; E419-F423 HydrophobicContact CB-CD2 4.44Å; E419-F423 HydrophobicContact CB-CE2 4.28Å; E419-F423 WeakPolarHBondContact O-CD2 3.31Å; E419-F423 PolarHBondContact O-N 3.45Å
420R98.6Very high98.6Very high181 Ų18199.4 Ų99.468%0.68348%0.476SS*.Hα-helixtrans-57.6-43.2175.1177.1-176.5144.2-170.6-5.2111.8L416 Q418 E422 F423 Q424L416-R420 WeakPolarHBondContact O-CB 3.46Å; L416-R420 PolarHBondContact O-N 2.88Å; Q418-R420 VanDerWaalsContact C-N 3.31Å; Q418-R420 PolarHBondContact O-N 2.86Å; R420-E422 VanDerWaalsContact C-N 3.35Å; R420-F423 PolarHBondContact O-N 2.87Å; R420-Q424 WeakPolarHBondContact O-CB 3.4Å; R420-Q424 PolarHBondContact O-N 2.92Å
421L98.7Very high98.6Very high76 Ų76100.9 Ų100.940%0.39848%0.481SS..Hα-helixtrans-64.6-40.8177.8179.762.7000111.4A417 Q418 E419 Q424 R425A417-L421 PolarHBondContact O-N 2.97Å; A417-L421 VanDerWaalsContact O-N 3.09Å; Q418-L421 WeakPolarHBondContact O-CB 3.43Å; Q418-L421 PolarHBondContact O-N 3.42Å; Q418-L421 VanDerWaalsContact O-N 3.08Å; E419-L421 VanDerWaalsContact C-N 3.3Å; E419-L421 PolarHBondContact O-N 2.79Å; L421-Q424 PolarHBondContact O-N 2.91Å; L421-R425 VanDerWaalsContact O-CG 3.31Å; L421-R425 WeakPolarHBondContact O-CG 3.37Å; L421-R425 PolarHBondContact O-N 3.31Å
422E98.6Very high98.5Very high101 Ų101101.4 Ų101.447%0.47248%0.481SS..Hα-helixtrans-64.2-45.3176.3-70.1178.9-169.200111.6Q418 E419 R420 Q424 R425 S426Q418-E422 PolarHBondContact NE2-OE1 3.1Å; Q418-E422 WeakPolarHBondContact O-CG 3.37Å; Q418-E422 PolarHBondContact O-N 2.85Å; E419-E422 PolarHBondContact O-N 3.22Å; E419-E422 VanDerWaalsContact O-N 3.17Å; R420-E422 VanDerWaalsContact C-N 3.35Å; E422-Q424 VanDerWaalsContact C-N 3.35Å; E422-Q424 PolarHBondContact O-N 3.42Å; E422-R425 PolarHBondContact O-N 2.82Å; E422-S426 WeakPolarHBondContact O-CB 3.3Å; E422-S426 PolarHBondContact O-N 3.3Å
423F98.6Very high98.4Very high123 Ų123103.3 Ų103.354%0.53948%0.484SS..Hα-helixtrans-60.9-42.5173.7-75.2-55.9000112.3W184 E419 R420 R425 S426 L427W184-F423 HydrophobicContact CH2-CE1 4.32Å; E419-F423 HydrophobicContact CB-CD2 4.44Å; E419-F423 HydrophobicContact CB-CE2 4.28Å; E419-F423 WeakPolarHBondContact O-CD2 3.31Å; E419-F423 PolarHBondContact O-N 3.45Å; R420-F423 PolarHBondContact O-N 2.87Å; F423-R425 VanDerWaalsContact C-N 3.34Å; F423-R425 PolarHBondContact O-N 3.49Å; F423-S426 PolarHBondContact O-N 3.32Å; F423-L427 VanDerWaalsContact O-CB 3.3Å; F423-L427 WeakPolarHBondContact O-CB 3.48Å; F423-L427 PolarHBondContact O-N 3.22Å
424Q98.6Very high98.3Very high107 Ų107101.2 Ų101.250%0.548%0.484SS..Hα-helixtrans-62.8-41.4177.8-175.6176.8-9.300111.7R420 L421 E422 T428R420-Q424 WeakPolarHBondContact O-CB 3.4Å; R420-Q424 PolarHBondContact O-N 2.92Å; L421-Q424 PolarHBondContact O-N 2.91Å; E422-Q424 VanDerWaalsContact C-N 3.35Å; E422-Q424 PolarHBondContact O-N 3.42Å; Q424-T428 WeakPolarHBondContact O-CB 3.29Å; Q424-T428 PolarHBondContact O-N 3.43Å; Q424-T428 PolarHBondContact O-OG1 2.92Å
425R98.5Very high98Very high164 Ų164100.4 Ų100.462%0.61949%0.486SS*.Hα-helixtrans-62.7-47.2174.7-73.4171.4178.3177.70.3111.3L421 E422 F423 T428 F429L421-R425 VanDerWaalsContact O-CG 3.31Å; L421-R425 WeakPolarHBondContact O-CG 3.37Å; L421-R425 PolarHBondContact O-N 3.31Å; E422-R425 PolarHBondContact O-N 2.82Å; F423-R425 VanDerWaalsContact C-N 3.34Å; F423-R425 PolarHBondContact O-N 3.49Å; R425-T428 PolarHBondContact O-N 2.92Å; R425-F429 WeakPolarHBondContact O-CB 3.47Å; R425-F429 PolarHBondContact O-N 3.42Å
426S98.4Very high97.8Very high29 Ų2999.2 Ų99.220%0.20348%0.483CS..Hα-helixtrans-60.5-46.3177.8-174.80000111.9E422 F423 T428 F429 I430E422-S426 WeakPolarHBondContact O-CB 3.3Å; E422-S426 PolarHBondContact O-N 3.3Å; F423-S426 PolarHBondContact O-N 3.32Å; S426-T428 VanDerWaalsContact C-N 3.34Å; S426-T428 PolarHBondContact O-N 2.91Å; S426-F429 WeakPolarHBondContact O-CB 3.45Å; S426-F429 PolarHBondContact O-N 3.01Å; S426-I430 WeakPolarHBondContact O-CG1 3.46Å; S426-I430 PolarHBondContact O-N 3.45Å
427L98.5Very high97.6Very high78 Ų7897.2 Ų97.241%0.40847%0.473SS..Hα-helixtrans-61.5-43.3177.2-175.765.8000111.7F423 F429 I430 K431F423-L427 VanDerWaalsContact O-CB 3.3Å; F423-L427 WeakPolarHBondContact O-CB 3.48Å; F423-L427 PolarHBondContact O-N 3.22Å; L427-F429 VanDerWaalsContact C-N 3.34Å; L427-I430 PolarHBondContact O-N 3.13Å; L427-K431 HydrophobicContact CG-CD 4.26Å; L427-K431 WeakPolarHBondContact O-CB 3.35Å; L427-K431 VanDerWaalsContact O-CG 3.29Å; L427-K431 WeakPolarHBondContact O-CG 3.42Å; L427-K431 PolarHBondContact O-N 3.24Å
428T98.4Very high97.3Very high74 Ų7497.7 Ų97.745%0.45446%0.462SS..Hα-helixtrans-62.7-44.1177.3-55.30000110.7Q424 R425 S426 K431 C432Q424-T428 WeakPolarHBondContact O-CB 3.29Å; Q424-T428 PolarHBondContact O-N 3.43Å; Q424-T428 PolarHBondContact O-OG1 2.92Å; R425-T428 PolarHBondContact O-N 2.92Å; S426-T428 VanDerWaalsContact C-N 3.34Å; S426-T428 PolarHBondContact O-N 2.91Å; T428-K431 PolarHBondContact O-N 3.14Å; T428-C432 WeakPolarHBondContact O-CB 3.45Å; T428-C432 PolarHBondContact O-N 3.45Å; T428-C432 PolarHBondContact O-SG 3.31Å
429F98.4Very high96.9Very high131 Ų13199.8 Ų99.858%0.57547%0.465SS*.Hα-helixtrans-60-48.7176.5173.8-98.7000112R425 S426 L427 K431 C432 R433R425-F429 WeakPolarHBondContact O-CB 3.47Å; R425-F429 PolarHBondContact O-N 3.42Å; S426-F429 WeakPolarHBondContact O-CB 3.45Å; S426-F429 PolarHBondContact O-N 3.01Å; L427-F429 VanDerWaalsContact C-N 3.34Å; F429-K431 PolarHBondContact O-N 3.38Å; F429-C432 PolarHBondContact O-N 3.26Å; F429-R433 WeakPolarHBondContact O-CB 3.44Å; F429-R433 PolarHBondContact O-N 3.37Å
430I98.3Very high96.6Very high82 Ų82101.2 Ų101.242%0.42147%0.472SS..Hα-helixtrans-63.1-43.7178.9-66.6167.7000110.7S426 L427 C432 R433 L434S426-I430 WeakPolarHBondContact O-CG1 3.46Å; S426-I430 PolarHBondContact O-N 3.45Å; L427-I430 PolarHBondContact O-N 3.13Å; I430-C432 PolarHBondContact O-N 3.36Å; I430-R433 PolarHBondContact O-N 2.93Å; I430-L434 WeakPolarHBondContact O-CB 3.32Å; I430-L434 PolarHBondContact O-N 2.94Å
431K97.3Very high96.3Very high109 Ų10995.7 Ų95.747%0.47446%0.458SS..Hα-helixtrans-60.1-45.1176.3-77.3179.5176-176.20112.1L427 T428 F429 L434 T435L427-K431 HydrophobicContact CG-CD 4.26Å; L427-K431 WeakPolarHBondContact O-CB 3.35Å; L427-K431 VanDerWaalsContact O-CG 3.29Å; L427-K431 WeakPolarHBondContact O-CG 3.42Å; L427-K431 PolarHBondContact O-N 3.24Å; T428-K431 PolarHBondContact O-N 3.14Å; F429-K431 PolarHBondContact O-N 3.38Å; K431-L434 PolarHBondContact O-N 3.23Å; K431-T435 WeakPolarHBondContact O-CB 3.35Å; K431-T435 PolarHBondContact O-N 3.43Å; K431-T435 PolarHBondContact O-OG1 3.39Å
432C97.4Very high95.9Very high67 Ų6792.3 Ų92.345%0.45344%0.44SS..Hα-helixtrans-61.5-48.5176.2-65.60000110.4T428 F429 I430 L434 T435 D436T428-C432 WeakPolarHBondContact O-CB 3.45Å; T428-C432 PolarHBondContact O-N 3.45Å; T428-C432 PolarHBondContact O-SG 3.31Å; F429-C432 PolarHBondContact O-N 3.26Å; I430-C432 PolarHBondContact O-N 3.36Å; C432-L434 VanDerWaalsContact C-N 3.32Å; C432-L434 PolarHBondContact O-N 2.75Å; C432-T435 WeakPolarHBondContact O-CB 3.43Å; C432-T435 PolarHBondContact O-N 3.36Å; C432-T435 VanDerWaalsContact O-N 3.11Å; C432-D436 PolarHBondContact O-N 3.3Å
433R97.6Very high95.4Very high131 Ų13190.2 Ų90.249%0.49444%0.437SS..Hα-helixtrans-60.4-41.5179-178.356.7177.5170.14.3112.5F429 I430 D436 L437F429-R433 WeakPolarHBondContact O-CB 3.44Å; F429-R433 PolarHBondContact O-N 3.37Å; I430-R433 PolarHBondContact O-N 2.93Å; R433-D436 PolarHBondContact O-N 2.88Å; R433-L437 HydrophobicContact CG-CD1 4.33Å; R433-L437 VanDerWaalsContact O-CG 3.32Å; R433-L437 WeakPolarHBondContact O-CG 3.29Å; R433-L437 PolarHBondContact O-N 3.44Å
434L95Very high95Very high111 Ų11190.7 Ų90.758%0.58144%0.44SS*.Hα-helixtrans-63.3-44.1175.8-179.363.7000110.8I430 K431 C432 D436 L437 Y438I430-L434 WeakPolarHBondContact O-CB 3.32Å; I430-L434 PolarHBondContact O-N 2.94Å; K431-L434 PolarHBondContact O-N 3.23Å; C432-L434 VanDerWaalsContact C-N 3.32Å; C432-L434 PolarHBondContact O-N 2.75Å; L434-D436 VanDerWaalsContact C-N 3.34Å; L434-D436 PolarHBondContact O-N 2.94Å; L434-L437 PolarHBondContact O-N 3.11Å; L434-Y438 WeakPolarHBondContact O-CB 3.16Å; L434-Y438 PolarHBondContact O-N 3.28Å
435T93.6Very high94.6Very high79 Ų7988.4 Ų88.449%0.48543%0.431SS..Hα-helixtrans-61.9-42.8177.7-53.80000111.2K431 C432 Y438 R439K431-T435 WeakPolarHBondContact O-CB 3.35Å; K431-T435 PolarHBondContact O-N 3.43Å; K431-T435 PolarHBondContact O-OG1 3.39Å; C432-T435 WeakPolarHBondContact O-CB 3.43Å; C432-T435 PolarHBondContact O-N 3.36Å; C432-T435 VanDerWaalsContact O-N 3.11Å; T435-Y438 WeakPolarHBondContact O-CB 3.34Å; T435-Y438 PolarHBondContact O-N 2.82Å; T435-R439 WeakPolarHBondContact O-CG 3.21Å; T435-R439 PolarHBondContact O-N 3.49Å
436D94.8Very high94.1Very high82 Ų8286.5 Ų86.544%0.43942%0.424SS..Hα-helixtrans-61.3-46.3176.8-68-25.3000111.5C432 R433 L434 Y438 R439 E440C432-D436 PolarHBondContact O-N 3.3Å; R433-D436 PolarHBondContact O-N 2.88Å; L434-D436 VanDerWaalsContact C-N 3.34Å; L434-D436 PolarHBondContact O-N 2.94Å; D436-Y438 VanDerWaalsContact C-N 3.31Å; D436-Y438 PolarHBondContact O-N 3.46Å; D436-R439 PolarHBondContact O-N 3.13Å; D436-E440 WeakPolarHBondContact O-CB 3.31Å; D436-E440 PolarHBondContact O-N 2.94Å
437L93.8Very high93.5Very high66 Ų6687.4 Ų87.435%0.34643%0.426SS..Hα-helixtrans-63.2-38.3175.8-71.1171.9000111.7R433 L434 E440 V441R433-L437 HydrophobicContact CG-CD1 4.33Å; R433-L437 VanDerWaalsContact O-CG 3.32Å; R433-L437 WeakPolarHBondContact O-CG 3.29Å; R433-L437 PolarHBondContact O-N 3.44Å; L434-L437 PolarHBondContact O-N 3.11Å; L437-E440 PolarHBondContact O-N 2.89Å; L437-V441 WeakPolarHBondContact O-CG2 3.29Å; L437-V441 PolarHBondContact O-N 3.48Å
438Y91.9Very high92.9Very high67 Ų6792.8 Ų92.826%0.26345%0.449SS..Hα-helixtrans-61.9-47.6176.9-149.2-104.6000110.9L434 T435 D436 E440 V441 F442 T455 S459 L460L434-Y438 WeakPolarHBondContact O-CB 3.16Å; L434-Y438 PolarHBondContact O-N 3.28Å; T435-Y438 WeakPolarHBondContact O-CB 3.34Å; T435-Y438 PolarHBondContact O-N 2.82Å; D436-Y438 VanDerWaalsContact C-N 3.31Å; D436-Y438 PolarHBondContact O-N 3.46Å; Y438-E440 VanDerWaalsContact C-N 3.31Å; Y438-E440 PolarHBondContact O-N 2.78Å; Y438-V441 PolarHBondContact O-N 2.75Å; Y438-F442 AromaticContact CD1-CD2 3.83Å; Y438-F442 HydrophobicContact CD1-CD2 3.83Å; Y438-F442 AromaticContact CD1-CE2 3.61Å; Y438-F442 HydrophobicContact CD1-CE2 3.61Å; Y438-F442 HydrophobicContact CD1-CZ 4.31Å; Y438-F442 HydrophobicContact CD2-CE2 4.26Å; Y438-F442 AromaticContact CE1-CD2 3.85Å; Y438-F442 HydrophobicContact CE1-CD2 3.85Å; Y438-F442 HydrophobicContact CE1-CE1 4.4Å; Y438-F442 AromaticContact CE1-CE2 3.15Å; Y438-F442 HydrophobicContact CE1-CE2 3.15Å; Y438-F442 AromaticContact CE1-CZ 3.5Å; Y438-F442 HydrophobicContact CE1-CZ 3.5Å; Y438-F442 VanDerWaalsContact CE1-CZ 3.5Å; Y438-F442 AromaticContact CE2-CE2 3.9Å; Y438-F442 HydrophobicContact CE2-CE2 3.9Å; Y438-F442 HydrophobicContact CG-CD2 4.3Å; Y438-F442 HydrophobicContact CG-CE2 4.15Å; Y438-F442 AromaticContact CZ-CE2 3.34Å; Y438-F442 AromaticContact CZ-CZ 3.71Å; Y438-F442 WeakPolarHBondContact O-CD2 3.27Å; Y438-F442 PolarHBondContact O-N 2.77Å; Y438-T455 HydrophobicContact CD1-CG2 3.62Å; Y438-T455 HydrophobicContact CE1-CG2 4.1Å; Y438-S459 WeakPolarHBondContact OH-CA 3.4Å; Y438-L460 HydrophobicContact CE2-CB 4.32Å; Y438-L460 HydrophobicContact CE2-CD1 4.34Å; Y438-L460 PolarHBondContact OH-N 2.86Å
439R90.6Very high92.2Very high164 Ų16495.9 Ų95.962%0.61946%0.463SS*.Hα-helixtrans-61.7-40.6175.5-67.4178.176.1-145.51.8111.7T435 D436 S443T435-R439 WeakPolarHBondContact O-CG 3.21Å; T435-R439 PolarHBondContact O-N 3.49Å; D436-R439 PolarHBondContact O-N 3.13Å; R439-S443 VanDerWaalsContact O-CB 3.27Å; R439-S443 WeakPolarHBondContact O-CB 3.45Å; R439-S443 PolarHBondContact O-N 3.26Å; R439-S443 PolarHBondContact O-OG 3.15Å
440E92.5Very high91.4Very high103 Ų10391.7 Ų91.748%0.48146%0.457SS..Hα-helixtrans-61.3-49.9176.7-173.5176.5177.200111.3D436 L437 Y438 F442 S443 H444D436-E440 WeakPolarHBondContact O-CB 3.31Å; D436-E440 PolarHBondContact O-N 2.94Å; L437-E440 PolarHBondContact O-N 2.89Å; Y438-E440 VanDerWaalsContact C-N 3.31Å; Y438-E440 PolarHBondContact O-N 2.78Å; E440-F442 PolarHBondContact O-N 3.48Å; E440-S443 PolarHBondContact O-N 3.32Å; E440-S443 PolarHBondContact O-OG 3.49Å; E440-H444 PolarHBondContact O-N 3Å; E440-H444 PolarHBondContact O-ND1 3.33Å
441V92.8Very high90.8Very high66 Ų6693.5 Ų93.540%0.446%0.464SS..Hα-helixtrans-61.8-48.1179.2173.60000111.2L437 Y438 S443 H444 L445 L460L437-V441 WeakPolarHBondContact O-CG2 3.29Å; L437-V441 PolarHBondContact O-N 3.48Å; Y438-V441 PolarHBondContact O-N 2.75Å; V441-S443 VanDerWaalsContact C-N 3.25Å; V441-S443 PolarHBondContact O-N 3.18Å; V441-H444 PolarHBondContact O-N 3.48Å; V441-L445 HydrophobicContact CG1-CD1 4.27Å; V441-L445 HydrophobicContact CG1-CG 4.45Å; V441-L445 PolarHBondContact O-N 3.35Å; V441-L460 HydrophobicContact CB-CD1 4.5Å; V441-L460 HydrophobicContact CG1-CD1 3.7Å
442F91.2Very high90.2Very high4 Ų491.5 Ų91.52%0.01846%0.462CS..Hα-helixtrans-64.2-31.7179.3-84.6-110.6000112.7Y438 E440 H444 L445 S454 T455 Y458 L460 L470Y438-F442 AromaticContact CD1-CD2 3.83Å; Y438-F442 HydrophobicContact CD1-CD2 3.83Å; Y438-F442 AromaticContact CD1-CE2 3.61Å; Y438-F442 HydrophobicContact CD1-CE2 3.61Å; Y438-F442 HydrophobicContact CD1-CZ 4.31Å; Y438-F442 HydrophobicContact CD2-CE2 4.26Å; Y438-F442 AromaticContact CE1-CD2 3.85Å; Y438-F442 HydrophobicContact CE1-CD2 3.85Å; Y438-F442 HydrophobicContact CE1-CE1 4.4Å; Y438-F442 AromaticContact CE1-CE2 3.15Å; Y438-F442 HydrophobicContact CE1-CE2 3.15Å; Y438-F442 AromaticContact CE1-CZ 3.5Å; Y438-F442 HydrophobicContact CE1-CZ 3.5Å; Y438-F442 VanDerWaalsContact CE1-CZ 3.5Å; Y438-F442 AromaticContact CE2-CE2 3.9Å; Y438-F442 HydrophobicContact CE2-CE2 3.9Å; Y438-F442 HydrophobicContact CG-CD2 4.3Å; Y438-F442 HydrophobicContact CG-CE2 4.15Å; Y438-F442 AromaticContact CZ-CE2 3.34Å; Y438-F442 AromaticContact CZ-CZ 3.71Å; Y438-F442 WeakPolarHBondContact O-CD2 3.27Å; Y438-F442 PolarHBondContact O-N 2.77Å; E440-F442 PolarHBondContact O-N 3.48Å; F442-H444 PolarHBondContact O-N 2.92Å; F442-L445 PolarHBondContact O-N 3.32Å; F442-S454 WeakPolarHBondContact CE1-O 3.44Å; F442-T455 HydrophobicContact CB-CG2 3.66Å; F442-T455 HydrophobicContact CD1-CG2 3.81Å; F442-T455 HydrophobicContact CD2-CG2 3.91Å; F442-T455 HydrophobicContact CE1-CG2 4.38Å; F442-T455 HydrophobicContact CE2-CG2 4.48Å; F442-T455 HydrophobicContact CG-CG2 3.52Å; F442-Y458 VanDerWaalsContact CE1-O 3.29Å; F442-Y458 WeakPolarHBondContact CE1-O 3.36Å; F442-Y458 VanDerWaalsContact CZ-O 3.29Å; F442-Y458 WeakPolarHBondContact CZ-O 3.36Å; F442-L460 HydrophobicContact CD2-CD1 4.22Å; F442-L460 HydrophobicContact CE2-CD1 3.61Å; F442-L460 HydrophobicContact CE2-CG 3.61Å; F442-L460 HydrophobicContact CZ-CD1 4.46Å; F442-L460 HydrophobicContact CZ-CG 3.98Å; F442-L470 HydrophobicContact CE1-CD1 4Å; F442-L470 HydrophobicContact CZ-CD1 3.96Å
443S88.2Confident89.7Confident57 Ų5791 Ų9140%0.39945%0.451SS..Hα-helixtrans-66.3-13.6172.979.70000114R439 E440 V441 R446R439-S443 VanDerWaalsContact O-CB 3.27Å; R439-S443 WeakPolarHBondContact O-CB 3.45Å; R439-S443 PolarHBondContact O-N 3.26Å; R439-S443 PolarHBondContact O-OG 3.15Å; E440-S443 PolarHBondContact O-N 3.32Å; E440-S443 PolarHBondContact O-OG 3.49Å; V441-S443 VanDerWaalsContact C-N 3.25Å; V441-S443 PolarHBondContact O-N 3.18Å; S443-R446 VanDerWaalsContact C-NH1 3.34Å; S443-R446 PolarHBondContact O-NH1 3.43Å; S443-R446 PolarHBondContact O-NH2 3.45Å
444H89.5Confident89.1Confident134 Ų13486.8 Ų86.862%0.6244%0.442SS*.Hα-helixtrans-102.6-22.2175.6-69.290.1000113.5E440 V441 F442E440-H444 PolarHBondContact O-N 3Å; E440-H444 PolarHBondContact O-ND1 3.33Å; V441-H444 PolarHBondContact O-N 3.48Å; F442-H444 PolarHBondContact O-N 2.92Å
445L89.9Confident88.6Confident58 Ų5883.5 Ų83.530%0.30443%0.426SS..  trans-73138.4174.8-61.3175.3000109.6V441 F442 P452 Y453 L460 L470V441-L445 HydrophobicContact CG1-CD1 4.27Å; V441-L445 HydrophobicContact CG1-CG 4.45Å; V441-L445 PolarHBondContact O-N 3.35Å; F442-L445 PolarHBondContact O-N 3.32Å; L445-P452 VanDerWaalsContact O-CA 3.31Å; L445-P452 WeakPolarHBondContact O-CA 3.32Å; L445-Y453 HydrophobicContact CB-CD2 3.67Å; L445-Y453 HydrophobicContact CB-CE2 4.41Å; L445-Y453 PolarHBondContact O-N 2.9Å; L445-L460 HydrophobicContact CD1-CD2 4.15Å; L445-L470 HydrophobicContact CD1-CD1 4.22Å
446R88.6Confident88.2Confident125 Ų12586.1 Ų86.147%0.47244%0.437SS..BIsolated β-bridgetrans-128.8137.5-178.9-64.6-72.5176.8-78.3-2.2109.9S443 G450 Q451 Y453S443-R446 VanDerWaalsContact C-NH1 3.34Å; S443-R446 PolarHBondContact O-NH1 3.43Å; S443-R446 PolarHBondContact O-NH2 3.45Å; R446-G450 VanDerWaalsContact CD-O 3.26Å; R446-G450 WeakPolarHBondContact CD-O 3.35Å; R446-Q451 CarbonylContact C-O 3.51Å; R446-Q451 VanDerWaalsContact CA-O 3.29Å; R446-Q451 WeakPolarHBondContact CA-O 3.44Å; R446-Y453 VanDerWaalsContact O-CE2 3.23Å; R446-Y453 WeakPolarHBondContact O-CE2 3.45Å
447D85.2Confident87.8Confident47 Ų4787.6 Ų87.625%0.25144%0.442SS..  trans-76.6179.1171.265.914.6000111.8D449 G450 Q451 Y453D447-D449 PolarHBondContact O-N 2.89Å; D447-D449 VanDerWaalsContact OD1-C 3.27Å; D447-D449 WeakPolarHBondContact OD1-CA 3.39Å; D447-D449 PolarHBondContact OD1-N 3.29Å; D447-G450 PolarHBondContact O-N 3.33Å; D447-G450 PolarHBondContact OD1-N 3.48Å; D447-Q451 PolarHBondContact N-O 2.64Å; D447-Q451 PolarHBondContact OD1-N 2.85Å; D447-Y453 HydrophobicContact CB-CE1 4.01Å; D447-Y453 HydrophobicContact CB-CE2 4.12Å
448E85.2Confident87.5Confident191 Ų19187.9 Ų87.989%0.89344%0.439SS*.THydrogen-bonded Turntrans-61.5-23178.6-60.9-65.3129.300112.6
449D83.7Confident87.5Confident140 Ų14085.6 Ų85.675%0.74943%0.433SS*.THydrogen-bonded Turntrans-91.90.9177.6-62.9-57.5000112.7D447D447-D449 PolarHBondContact O-N 2.89Å; D447-D449 VanDerWaalsContact OD1-C 3.27Å; D447-D449 WeakPolarHBondContact OD1-CA 3.39Å; D447-D449 PolarHBondContact OD1-N 3.29Å
450G83.6Confident87.4Confident43 Ų4380.2 Ų80.244%0.44342%0.416SS..SBendtrans76.815.1179.500000115.1R446 D447R446-G450 VanDerWaalsContact CD-O 3.26Å; R446-G450 WeakPolarHBondContact CD-O 3.35Å; D447-G450 PolarHBondContact O-N 3.33Å; D447-G450 PolarHBondContact OD1-N 3.48Å
451Q84Confident87.3Confident119 Ų11980.5 Ų80.556%0.55642%0.417SS*.PPolyproline II helixtrans-90.5148.6174.4-59-57.1-3700111.7R446 D447R446-Q451 CarbonylContact C-O 3.51Å; R446-Q451 VanDerWaalsContact CA-O 3.29Å; R446-Q451 WeakPolarHBondContact CA-O 3.44Å; D447-Q451 PolarHBondContact N-O 2.64Å; D447-Q451 PolarHBondContact OD1-N 2.85Å
452P86.2Confident87.2Confident68 Ų6884.2 Ų84.244%0.44243%0.43SS..BIsolated β-bridgetrans-69.2138.6175.628.2-33.1000111.7L445L445-P452 VanDerWaalsContact O-CA 3.31Å; L445-P452 WeakPolarHBondContact O-CA 3.32Å
453Y85.9Confident87.2Confident56 Ų5686.1 Ų86.122%0.2244%0.442CS..PPolyproline II helixtrans-66.1140.3172.6-73-82.3000111.2L445 R446 D447 Y458 L470L445-Y453 HydrophobicContact CB-CD2 3.67Å; L445-Y453 HydrophobicContact CB-CE2 4.41Å; L445-Y453 PolarHBondContact O-N 2.9Å; R446-Y453 VanDerWaalsContact O-CE2 3.23Å; R446-Y453 WeakPolarHBondContact O-CE2 3.45Å; D447-Y453 HydrophobicContact CB-CE1 4.01Å; D447-Y453 HydrophobicContact CB-CE2 4.12Å; Y453-Y458 HydrophobicContact CD1-CD1 4.35Å; Y453-Y458 AromaticContact CD1-CD2 3.82Å; Y453-Y458 HydrophobicContact CD1-CD2 3.82Å; Y453-Y458 HydrophobicContact CD1-CE1 4.31Å; Y453-Y458 AromaticContact CD1-CE2 3.8Å; Y453-Y458 HydrophobicContact CD1-CE2 3.8Å; Y453-Y458 HydrophobicContact CD1-CG 4.12Å; Y453-Y458 HydrophobicContact CE1-CE1 4.27Å; Y453-Y458 HydrophobicContact CE1-CE2 4.36Å; Y453-L470 HydrophobicContact CD1-CD2 3.63Å; Y453-L470 HydrophobicContact CD2-CD2 3.87Å; Y453-L470 HydrophobicContact CE1-CD2 3.67Å; Y453-L470 HydrophobicContact CE2-CD2 3.87Å; Y453-L470 HydrophobicContact CG-CD2 3.73Å
454S85.3Confident87.3Confident43 Ų4390.4 Ų90.430%0.30147%0.468SS..PPolyproline II helixtrans-81.5138.2175.9-1800000111.9F442 D456 E457 Y458F442-S454 WeakPolarHBondContact CE1-O 3.44Å; S454-D456 PolarHBondContact O-N 3.3Å; S454-D456 PolarHBondContact OG-N 3.04Å; S454-E457 PolarHBondContact O-N 3.3Å; S454-Y458 PolarHBondContact O-N 2.98Å; S454-Y458 VanDerWaalsContact O-N 3.15Å
455T84.8Confident87.4Confident42 Ų4289.4 Ų89.426%0.25847%0.468SS..THydrogen-bonded Turntrans-68.5-20.3174.850.20000113.4Y438 F442 H473Y438-T455 HydrophobicContact CD1-CG2 3.62Å; Y438-T455 HydrophobicContact CE1-CG2 4.1Å; F442-T455 HydrophobicContact CB-CG2 3.66Å; F442-T455 HydrophobicContact CD1-CG2 3.81Å; F442-T455 HydrophobicContact CD2-CG2 3.91Å; F442-T455 HydrophobicContact CE1-CG2 4.38Å; F442-T455 HydrophobicContact CE2-CG2 4.48Å; F442-T455 HydrophobicContact CG-CG2 3.52Å; T455-H473 PolarHBondContact O-NE2 2.86Å
456D85.1Confident87.3Confident133 Ų13388.5 Ų88.571%0.71147%0.472SS*.THydrogen-bonded Turntrans-88.2-19.6-178.2-59.7-32.4000112.4S454 H473S454-D456 PolarHBondContact O-N 3.3Å; S454-D456 PolarHBondContact OG-N 3.04Å; D456-H473 VanDerWaalsContact C-CD2 3.47Å; D456-H473 PolarHBondContact O-CD2 3.04Å
457E87Confident87.5Confident114 Ų11484.7 Ų84.753%0.53347%0.465SS..THydrogen-bonded Turntrans-105.8-24.1-177.8-66.2179.9173.900112.9S454 P472 H473S454-E457 PolarHBondContact O-N 3.3Å; E457-P472 CarbonylContact O-C 3.56Å; E457-P472 WeakPolarHBondContact O-CA 3.48Å; E457-H473 PolarHBondContact O-N 2.77Å
458Y87.4Confident87.7Confident72 Ų7287.8 Ų87.828%0.28248%0.48SS..EExtended strand (participates in β ladder)trans-130.8151.4179.7-59.9-97.4000111.7F442 Y453 S454 L470 P472 H473F442-Y458 VanDerWaalsContact CE1-O 3.29Å; F442-Y458 WeakPolarHBondContact CE1-O 3.36Å; F442-Y458 VanDerWaalsContact CZ-O 3.29Å; F442-Y458 WeakPolarHBondContact CZ-O 3.36Å; Y453-Y458 HydrophobicContact CD1-CD1 4.35Å; Y453-Y458 AromaticContact CD1-CD2 3.82Å; Y453-Y458 HydrophobicContact CD1-CD2 3.82Å; Y453-Y458 HydrophobicContact CD1-CE1 4.31Å; Y453-Y458 AromaticContact CD1-CE2 3.8Å; Y453-Y458 HydrophobicContact CD1-CE2 3.8Å; Y453-Y458 HydrophobicContact CD1-CG 4.12Å; Y453-Y458 HydrophobicContact CE1-CE1 4.27Å; Y453-Y458 HydrophobicContact CE1-CE2 4.36Å; S454-Y458 PolarHBondContact O-N 2.98Å; S454-Y458 VanDerWaalsContact O-N 3.15Å; Y458-L470 HydrophobicContact CD1-CD2 4.07Å; Y458-L470 HydrophobicContact CD1-CG 4.03Å; Y458-L470 HydrophobicContact CG-CD2 4.32Å; Y458-L470 HydrophobicContact CG-CG 4.3Å; Y458-P472 HydrophobicContact CD1-CB 3.84Å; Y458-P472 HydrophobicContact CE1-CB 3.81Å; Y458-P472 HydrophobicContact CE1-CG 4.47Å; Y458-H473 PolarHBondContact N-CD2 2.95Å; Y458-H473 PolarHBondContact O-NE2 3.33Å
459S90.4Very high87.9Confident19 Ų1984.6 Ų84.613%0.13346%0.461CS..EExtended strand (participates in β ladder)trans-128.4145.3176.1660000111.7Y438 V471Y438-S459 WeakPolarHBondContact OH-CA 3.4Å; S459-V471 PolarHBondContact N-O 3.43Å; S459-V471 PolarHBondContact O-N 2.89Å; S459-V471 PolarHBondContact OG-O 2.84Å; S459-V471 VanDerWaalsContact OG-O 3.13Å
460L90.3Very high88.2Confident50 Ų5080.7 Ų80.726%0.26244%0.44SS..EExtended strand (participates in β ladder)trans-86.4120.5169.5-64.3169.8000109.7Y438 V441 F442 L445 I468 Y469 L470Y438-L460 HydrophobicContact CE2-CB 4.32Å; Y438-L460 HydrophobicContact CE2-CD1 4.34Å; Y438-L460 PolarHBondContact OH-N 2.86Å; V441-L460 HydrophobicContact CB-CD1 4.5Å; V441-L460 HydrophobicContact CG1-CD1 3.7Å; F442-L460 HydrophobicContact CD2-CD1 4.22Å; F442-L460 HydrophobicContact CE2-CD1 3.61Å; F442-L460 HydrophobicContact CE2-CG 3.61Å; F442-L460 HydrophobicContact CZ-CD1 4.46Å; F442-L460 HydrophobicContact CZ-CG 3.98Å; L445-L460 HydrophobicContact CD1-CD2 4.15Å; L460-I468 HydrophobicContact CB-CG2 4.11Å; L460-I468 HydrophobicContact CD2-CG2 3.87Å; L460-I468 HydrophobicContact CG-CG2 4.45Å; L460-Y469 WeakPolarHBondContact CA-O 3.49Å; L460-L470 HydrophobicContact CD2-CD1 3.76Å; L460-L470 HydrophobicContact CG-CD1 4.41Å
461Q89.4Confident88.5Confident110 Ų11080.8 Ų80.851%0.51443%0.431SS..EExtended strand (participates in β ladder)trans-106135.5169.4-80.4-1749.400110.3I468 Y469 V471Q461-I468 CarbonylContact O-C 3.59Å; Q461-I468 WeakPolarHBondContact O-CA 3.29Å; Q461-Y469 PolarHBondContact N-O 2.96Å; Q461-Y469 PolarHBondContact O-N 2.9Å; Q461-V471 HydrophobicContact CB-CG2 4.06Å; Q461-V471 HydrophobicContact CG-CG2 4.11Å
462Q89.8Confident88.7Confident143 Ų14378.7 Ų78.767%0.66843%0.428SS*.EExtended strand (participates in β ladder)trans-101.8125.4170.6-172.517737.700109.1S467Q462-S467 WeakPolarHBondContact CA-O 3.23Å
463T91.4Very high88.4Confident44 Ų4479.4 Ų79.427%0.2743%0.425SS..  trans-82.1161.1173.141.50000110.8D465 G466 S467 Y469T463-D465 WeakPolarHBondContact CB-OD1 3.26Å; T463-D465 PolarHBondContact O-N 3.03Å; T463-D465 VanDerWaalsContact O-N 3.1Å; T463-D465 PolarHBondContact OG1-OD1 2.88Å; T463-G466 WeakPolarHBondContact O-CA 3.01Å; T463-G466 PolarHBondContact O-N 2.68Å; T463-S467 PolarHBondContact N-O 3.19Å; T463-S467 WeakPolarHBondContact OG1-CB 3.49Å; T463-S467 PolarHBondContact OG1-O 3.02Å; T463-S467 VanDerWaalsContact OG1-O 3.04Å; T463-Y469 HydrophobicContact CG2-CD2 3.92Å; T463-Y469 HydrophobicContact CG2-CE2 3.8Å; T463-Y469 WeakPolarHBondContact OG1-CE2 3.36Å
464P90.8Very high87.3Confident147 Ų14781.1 Ų81.196%0.95545%0.446SS*.THydrogen-bonded Turntrans-61.2-19.3-176.5-24.334.1000115.4G466P464-G466 VanDerWaalsContact C-N 3.27Å
465D90.9Very high85.7Confident113 Ų11385.7 Ų85.760%0.60446%0.464SS*.THydrogen-bonded Turntrans-79.3-5.3172.366.7-29.8000113.2T463 S467T463-D465 WeakPolarHBondContact CB-OD1 3.26Å; T463-D465 PolarHBondContact O-N 3.03Å; T463-D465 VanDerWaalsContact O-N 3.1Å; T463-D465 PolarHBondContact OG1-OD1 2.88Å; D465-S467 PolarHBondContact OD1-N 3.22Å; D465-S467 WeakPolarHBondContact OD2-CB 3.45Å; D465-S467 PolarHBondContact OD2-OG 2.73Å
466G89.5Confident84.2Confident39 Ų3991.3 Ų91.340%0.40249%0.492SS..SBendtrans90.6-3.2178.700000115T463 P464T463-G466 WeakPolarHBondContact O-CA 3.01Å; T463-G466 PolarHBondContact O-N 2.68Å; P464-G466 VanDerWaalsContact C-N 3.27Å
467S90.8Very high82.5Confident45 Ų4593.9 Ų93.932%0.31550%0.497SS..  trans-68.9144.1176.8-56.90000111.1Q462 T463 D465Q462-S467 WeakPolarHBondContact CA-O 3.23Å; T463-S467 PolarHBondContact N-O 3.19Å; T463-S467 WeakPolarHBondContact OG1-CB 3.49Å; T463-S467 PolarHBondContact OG1-O 3.02Å; T463-S467 VanDerWaalsContact OG1-O 3.04Å; D465-S467 PolarHBondContact OD1-N 3.22Å; D465-S467 WeakPolarHBondContact OD2-CB 3.45Å; D465-S467 PolarHBondContact OD2-OG 2.73Å
468I89.6Confident80.6Confident112 Ų11298.7 Ų98.757%0.57451%0.51SS*.EExtended strand (participates in β ladder)trans-112.7126.6-178.3-57.1174.7000109.4L460 Q461L460-I468 HydrophobicContact CB-CG2 4.11Å; L460-I468 HydrophobicContact CD2-CG2 3.87Å; L460-I468 HydrophobicContact CG-CG2 4.45Å; Q461-I468 CarbonylContact O-C 3.59Å; Q461-I468 WeakPolarHBondContact O-CA 3.29Å
469Y89.2Confident78.6Confident124 Ų124103 Ų10349%0.48654%0.538SS..EExtended strand (participates in β ladder)trans-118.4141.1178-62.2-87.5000110.8L460 Q461 T463L460-Y469 WeakPolarHBondContact CA-O 3.49Å; Q461-Y469 PolarHBondContact N-O 2.96Å; Q461-Y469 PolarHBondContact O-N 2.9Å; T463-Y469 HydrophobicContact CG2-CD2 3.92Å; T463-Y469 HydrophobicContact CG2-CE2 3.8Å; T463-Y469 WeakPolarHBondContact OG1-CE2 3.36Å
470L90.4Very high76.4Confident59 Ų59111.6 Ų111.631%0.30958%0.576SS.*EExtended strand (participates in β ladder)trans-85.6117169.5-168.570.4000108.6F442 L445 Y453 Y458 L460F442-L470 HydrophobicContact CE1-CD1 4Å; F442-L470 HydrophobicContact CZ-CD1 3.96Å; L445-L470 HydrophobicContact CD1-CD1 4.22Å; Y453-L470 HydrophobicContact CD1-CD2 3.63Å; Y453-L470 HydrophobicContact CD2-CD2 3.87Å; Y453-L470 HydrophobicContact CE1-CD2 3.67Å; Y453-L470 HydrophobicContact CE2-CD2 3.87Å; Y453-L470 HydrophobicContact CG-CD2 3.73Å; Y458-L470 HydrophobicContact CD1-CD2 4.07Å; Y458-L470 HydrophobicContact CD1-CG 4.03Å; Y458-L470 HydrophobicContact CG-CD2 4.32Å; Y458-L470 HydrophobicContact CG-CG 4.3Å; L460-L470 HydrophobicContact CD2-CD1 3.76Å; L460-L470 HydrophobicContact CG-CD1 4.41Å
471V90.2Very high73.8Confident44 Ų44119.2 Ų119.227%0.26763%0.632SS.*EExtended strand (participates in β ladder)trans-118.8119.7-176.3-176.20000108.4S459 Q461 H473S459-V471 PolarHBondContact N-O 3.43Å; S459-V471 PolarHBondContact O-N 2.89Å; S459-V471 PolarHBondContact OG-O 2.84Å; S459-V471 VanDerWaalsContact OG-O 3.13Å; Q461-V471 HydrophobicContact CB-CG2 4.06Å; Q461-V471 HydrophobicContact CG-CG2 4.11Å; V471-H473 PolarHBondContact O-N 2.46Å
472P88.3Confident73Confident75 Ų75119.7 Ų119.749%0.48764%0.637SS.*EExtended strand (participates in β ladder)trans-60.4138174.523.3-30.1000110E457 Y458 S474E457-P472 CarbonylContact O-C 3.56Å; E457-P472 WeakPolarHBondContact O-CA 3.48Å; Y458-P472 HydrophobicContact CD1-CB 3.84Å; Y458-P472 HydrophobicContact CE1-CB 3.81Å; Y458-P472 HydrophobicContact CE1-CG 4.47Å; P472-S474 VanDerWaalsContact C-N 3.34Å; P472-S474 PolarHBondContact O-N 3.45Å
473H80.9Confident72.1Confident83 Ų83118.4 Ų118.438%0.38464%0.636SS.*  trans-62.6101.7164.6-66.3-71.1000105.8T455 D456 E457 Y458 V471 M475T455-H473 PolarHBondContact O-NE2 2.86Å; D456-H473 VanDerWaalsContact C-CD2 3.47Å; D456-H473 PolarHBondContact O-CD2 3.04Å; E457-H473 PolarHBondContact O-N 2.77Å; Y458-H473 PolarHBondContact N-CD2 2.95Å; Y458-H473 PolarHBondContact O-NE2 3.33Å; V471-H473 PolarHBondContact O-N 2.46Å; H473-M475 PolarHBondContact O-N 2.76Å
474S62Low71.1Confident92 Ų92122.6 Ų122.664%0.64366%0.656SS**  trans-51.7119.9178.248.30000108.4P472 D476P472-S474 VanDerWaalsContact C-N 3.34Å; P472-S474 PolarHBondContact O-N 3.45Å; S474-D476 PolarHBondContact O-N 3.37Å
475M52.4Low69.9Low140 Ų140121.1 Ų121.169%0.6964%0.639SS**  trans-57.499.2172.8-68.2-95.294.100108.5H473 K477H473-M475 PolarHBondContact O-N 2.76Å; M475-K477 PolarHBondContact O-N 3.1Å
476D52.5Low68.6Low159 Ų159121.6 Ų121.685%0.8564%0.641SS**SBendtrans-67.937.2165.1-80.4-26.9000111.7S474S474-D476 PolarHBondContact O-N 3.37Å
477K49.9Very low67.2Low188 Ų188127.1 Ų127.182%0.81766%0.657SS**  trans-142.461.6174.7-74.2-170.2178.8177.70110.1M475M475-K477 PolarHBondContact O-N 3.1Å
478R47.2Very low65.5Low214 Ų214133 Ų13381%0.80868%0.681SS**  trans-14393151.8-91.1-170.2-75.8-176.3-4.1106.7
479D45.6Very low63.7Low162 Ų162134.6 Ų134.687%0.86669%0.689SS**  trans17781.6141.2-82.4-16.9000108.7
480Q42.3Very low61.5Low200 Ų200135.5 Ų135.594%0.93571%0.706SS**  trans-142.688.8153-112.9167.280.500105.6
481C36.8Very low58.9Low210 Ų210142.5 Ų142.5100%1.41974%0.742SS**  trans-134.90160.3-87.10000107.3

Retrieved 481 of 481 residues in 275.8 ms (Link to these results)