A0A3Q0KLP7_SCHMA Loading...

FTZ-F1-alpha

AlphaFold DB , UniProt , Accession A0A3Q0KLP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,881 aa.

>A0A3Q0KLP7_SCHMA|A0A3Q0KLP7
MFTTSSTNSDTTTPPSSVKLLSVDEHAQTIQFNTNQNTNNLISDSLCIDSSERRTQELLNSIHHNSPISNNNNSNCILNLNNLSLSSSSSSLFHCENCPICGDKVSGYHYGLPTCESCKGFFKRTVQNKKEYHCNEQGNCVVDRLHRKRCAYCRFQKCLIVGMRVEAVREDRMRGGRSRRGRSSYCVVTTPNSSNSNNNSNSKMDHVKHLLSSNSSVMYSKSVDSELYSSITPPPLSHTSTSTINVNNTHPSNSGIDTSNNITTSVPYDKDYCIRRSPIIVPSLCTVSKTICEENLAPCSLSLTYSIPQVTTTCTETVTVSPSHSSLLYESGLFNPNYSQNIFNLKPVSSVEEMNTENDHLSTSSSSSSSSISKQSNYQNDSRPNSYNISSVNSCSSSSPIYHQTSLKPIDHSNIDMPGSSTVICSLTTTPFITTDSLDLVSVKSSVNNTTDSIMNIASSSTGLSTDTYTSMVNLPFNDSLVCQSHSHLPTSNMSSSGFIDLTQKIPSTTTTTTTTNTTTASTLKSMSLSSSSASLLSCSTGMRSSNPDFVDLSNSDPKRLRLCFTDINSTIFATAANSTTTTTITPTTAHVDISVCNETRQLNNYQQFSSYMLNHSYDQCSHYQVSNNNNNSRIHPYVKTSSPLISIPSLTTGVSPTSSASVWYPSCHGIVNSSEPSFLPTSSELHDSPVMNECSSYLQIMDANYHTLIKSTPQSTSVYLNPNLPTSSSSVMHPSNIVLQNVESSPSHGDSSCNRNTSIVPTPGSATVNTTSPVINNNSDSASQLSLHTDNLSQSITSFCHHSQQNSKLHLVYNQPHSNFCSPVVCSLPESSSLNLCGNMLNTTTKSTSNPSNSCLPFNFDKNNSCFLNDNGINNHLYSLTSSVHDNHYHQNIPQQIKAPLIVPPLLPSLPSLSNHPYPQFTNEHLMNTTTSHTQMMVNSTSVIVGSTNSINQSNPTDFIDTESVEKDRGESEGGGSSESEVSCGYGGVRTGDNLRSADNHSSNNNTYSTTNNTNNGSFGLMNNELLTNKKYGCHIDEIPDDDYLTGDDTDGDDCTDSILDDEEDTDYDEVDEYDNDDDDDTENDIDDPDRNFDDEEDREDDELSGDGCGITSIGGAGGRDILELSEGTGHSSFTCSTSSYHKSEYESESNHTSATTSHLNTTISTSTTSTTTNNNHSANKVNNYSSNNEILFNNNSTTHANGFRFGQIFTTSVEHDYKVVEVVQKFIPKLKRSLSELCSFLKSKNPELTNSSTATILSSSSSKSLSRDEIISECINTEPVLMFRESSVGNFPNSILPLSPSSSLVHESQLHNNDIDSQVKSVSHFDSTESSVPIFKDNKGNCFPTLSTSSPSTAQINENSATTTNPYLDDLLSSLCSLLETCLFYLVDWMAQIESFKVLPVEDKMQLLNSSWSEIILLEFIHFYVTHLNNAKRTNTILTDSKRRCKNAMDPLNVCSSLFPMNANPINCNENNPLAATTTTNNTTTTSSSLLSHSSVSMEICNLIENLLNNLLGGVDNCGGGQSDLKHKLNDLLTIFQKLQLDNKEFTCLKFIVLFNPLKHDTFLTSNLSYALKIQGKFCHFLLKRSRRFLRLINESSESQKLDHRSPNELNTILVPDRYGQILLELAEIKFLAFQLENFLLIRYRLGKIPNESLLSEMLLTKRSRVSLPVQPSYCNPMTSSMKSPPSTTSSYVIPTCQFAYTNVNSKVIPTSSLSTDADCRLSDEVIKHTNQASSLCTNNPNSGTTMMINTTGSLSTTPFTSPIPSTFSLTSLHLPTSIPHLNNRNNNCSNNDASLLKNIDSQLSCTAFLNSYTNSPLYTPTNTNQLVYNHCFINNDDHVITANNINRFNEQLHESLSTVTTMPATTTTTLVNHTSILS
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(Predicted Aligned Error values between residue pairs)
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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
1M28.4Very low31.3Very low229 Ų229132.7 Ų132.7100%1.12877%0.766SS**  0134.70-86167.916900107.2
2F26.5Very low31.9Very low187 Ų187131.8 Ų131.882%0.8276%0.764SS**  52.812384.6-73.1-102.5000110.9
3T29.9Very low32.1Very low108 Ų108131.7 Ų131.766%0.66377%0.767SS**  cis-168.1150.47.6-0.70000112.6
4T30.2Very low32.2Very low125 Ų125130.9 Ų130.977%0.76777%0.768SS**  trans38.6150.7145.553.20000123.4
5S30.1Very low31.9Very low96 Ų96130.1 Ų130.167%0.67177%0.768SS**  cis-176119.7-18.950.20000112.6
6S33.7Very low31.7Very low103 Ų103129.2 Ų129.272%0.7277%0.771SS**  trans11.7146.1139.654.30000123.2
7T34.7Very low31.4Very low124 Ų124128.1 Ų128.176%0.76177%0.771SS**  cis-179144-30.315.30000112.1
8N30.5Very low31Very low146 Ų146128.2 Ų128.278%0.78177%0.772SS**  trans83112.6153.8-60.53.6000123.7
9S34.9Very low30.9Very low115 Ų115131.3 Ų131.380%0.80477%0.774SS**  trans54.7113.3140.159.20000124.4
10D28.4Very low30.5Very low105 Ų105131.9 Ų131.956%0.56177%0.773SS**  trans-169.1152.6154.5-153.4-16.3000112.2Q28D10-Q28 PolarHBondContact OD2-N 2.71Å
11T37.4Very low30.2Very low122 Ų122133 Ų13375%0.74878%0.775SS**  trans-158.8120.8177.646.90000119.3
12T38.1Very low29.9Very low122 Ų122127 Ų12775%0.74876%0.756SS**  trans62.1101142.458.70000125.4
13T34.6Very low30Very low130 Ų130124.2 Ų124.280%0.79875%0.754SS**  25.4159.3120.357.20000123.8
14P33.3Very low29.8Very low120 Ų120125.7 Ų125.778%0.77976%0.758SS**  cis-134.7-166.2-18.141.6-21.3000112.9
15P27.3Very low29.6Very low119 Ų119127.5 Ų127.577%0.77376%0.757SS**  trans-102.7141.3-17137.1-31.7000117.3
16S29.5Very low29.6Very low116 Ų116129.5 Ų129.581%0.81176%0.756SS**  trans172.9152.1134.9490000112.9
17S25.5Very low29.4Very low111 Ų111128.2 Ų128.278%0.77675%0.751SS**  trans50.1109.5162-63.20000122.4
18V24.7Very low29.2Very low130 Ų130130.6 Ų130.679%0.78875%0.754SS**  trans66.9106.4139.9-172.90000120.5
19K29.6Very low29.2Very low186 Ų186129.1 Ų129.181%0.80975%0.75SS**  trans67.5117.3149.2-82.8-174.4175.6178.30121.9
20L23.7Very low28.8Very low144 Ų144130.9 Ų130.975%0.75475%0.749SS**  109.4112.8129.3-76.4165000120.3
21L23.2Very low28.8Very low154 Ų154132 Ų13281%0.80675%0.751SS**  trans87.8128.8148.5-61.3166.3000120.4
22S23.1Very low28.2Very low104 Ų104133.9 Ų133.973%0.72775%0.749SS**  trans74.889.1155.2-53.70000121
23V27.5Very low27.7Very low129 Ų129133.4 Ų133.478%0.78274%0.742SS**  43.9129104.5178.80000118
24D26.3Very low27.3Very low139 Ų139132.5 Ų132.574%0.74374%0.736SS**  cis-172.9179.5-14.6-111.2-58.1000109.8
25E26.2Very low27Very low162 Ų162132.3 Ų132.376%0.75773%0.729SS**  trans68.8150.6170-56.8-147.2109.200118
26H29.4Very low27.1Very low139 Ų139134.3 Ų134.364%0.64473%0.727SS**  cis-158.3138.3-25.3-122.7114.5000109.9
27A29.7Very low26.9Very low75 Ų75135.1 Ų135.162%0.6272%0.723SS**  trans-74.5164.9-173.200000116.8
28Q29.9Very low26.9Very low175 Ų175134.6 Ų134.682%0.81872%0.715SS**  trans-149.7-174.6159-125.4131.9120.400117.2D10D10-Q28 PolarHBondContact OD2-N 2.71Å
29T30.7Very low26.9Very low115 Ų115135.7 Ų135.771%0.70672%0.717SS**  trans-148.8145.4-137.9-59.40000114.7
30I27.2Very low26.5Very low152 Ų152134 Ų13478%0.77972%0.716SS**  trans-89.696.8160.6-59.8-179000107.3
31Q27.3Very low26.5Very low129 Ų129134.4 Ų134.460%0.60372%0.719SS**  71.6138.383.7-68.6-177.6-200113
32F26.3Very low26.6Very low160 Ų160133.7 Ų133.770%0.70271%0.714SS**  cis-134.8135.334.4-93.5-102000115.8
33N26.2Very low26.6Very low113 Ų113133 Ų13360%0.60471%0.709SS**  45.5145.1126.9-64.46.6000121.8
34T27.9Very low26.4Very low110 Ų110133.9 Ų133.968%0.67571%0.71SS**  cis-171-174.1-2.227.30000107.1
35N26.1Very low26.4Very low117 Ų117132.2 Ų132.263%0.62671%0.709SS**  cis-162.7163.99.3-137.9-26.9000111.4
36Q29.5Very low26.4Very low160 Ų160131.7 Ų131.775%0.74871%0.71SS**  trans61155.6150.3-74.3170.638.800120
37N24.1Very low26.1Very low134 Ų134130.7 Ų130.772%0.71772%0.717SS**  cis-164.9167.6-33.2-146.5-8.8000111.2
38T26.1Very low25.9Very low100 Ų100135.3 Ų135.361%0.61373%0.73SS**  trans59.3120.415451.30000123.9
39N24.1Very low25.6Very low153 Ų153134.2 Ų134.282%0.81873%0.73SS**  67.7149.9124.1-61.1-14.4000124.7
40N21.9Very low25.3Very low150 Ų150134.4 Ų134.480%0.80274%0.736SS**  trans-45.3143.5167.5-55.4-40.5000114.9
41L24.2Very low25.3Very low153 Ų153132.4 Ų132.480%0.80174%0.735SS**  166.8150116.6-88.4162.7000113.2
42I25.1Very low25.1Very low138 Ų138131.3 Ų131.371%0.70873%0.73SS**  trans63.8100.3143.5-66.9168.8000119.4
43S22.9Very low25.1Very low89 Ų89131.2 Ų131.262%0.62273%0.725SS**  trans36.5136.7132.969.40000124
44D24.2Very low25Very low149 Ų149137.8 Ų137.880%0.79774%0.742SS**  trans66.995.9131.9-59.1-16.4000122
45S26Very low24.9Very low104 Ų104135.8 Ų135.873%0.72773%0.729SS**  92.4135.6107.6-1520000121.4
46L26.1Very low24.8Very low151 Ų151137.2 Ų137.279%0.79173%0.732SS**  trans66.883.8157-72.3161.9000120.2
47C22.9Very low24.6Very low117 Ų117138.8 Ų138.879%0.79174%0.739SS**  42.7132.8116.9-530000121.7
48I25.8Very low24.7Very low172 Ų172140.5 Ų140.588%0.88275%0.748SS**  -151.1148.6119-106.5160.3000109.7
49D22.5Very low24.5Very low152 Ų152142.2 Ų142.281%0.81375%0.753SS**  trans-71.9145-177.8-93.7-67.4000115.1
50S25.3Very low24.5Very low119 Ų119141.6 Ų141.683%0.83275%0.749SS**  trans-178137.5134.4-81.60000109.8
51S27.4Very low24.7Very low110 Ų110140 Ų14077%0.76975%0.75SS**  cis-152.11431053.40000113.2
52E23.3Very low24.9Very low106 Ų106140.3 Ų140.350%0.49575%0.751SS.*  trans-62.4-178.7158-57.7-177.7138.200112.3
53R25.2Very low24.8Very low158 Ų158141 Ų14160%0.59675%0.751SS**  trans109.376.3144.8-51.2-131.3164.8-166.5-0.8120.5T55R53-T55 VanDerWaalsContact CA-OG1 3.27Å; R53-T55 WeakPolarHBondContact CA-OG1 3.49Å; R53-T55 HydrophobicContact CB-CG2 4.13Å; R53-T55 VanDerWaalsContact CB-OG1 3.28Å; R53-T55 WeakPolarHBondContact CB-OG1 3.38Å; R53-T55 HydrophobicContact CG-CG2 3.77Å
54R25.4Very low25Very low252 Ų252143.9 Ų143.995%0.95175%0.754SS**  -136.9107.1101.2-84.3-175.8170.8170.5-4.9106.9
55T25.3Very low25.1Very low68 Ų68144.2 Ų144.242%0.41776%0.756SS.*  cis69.3135.716.764.50000119.6R53R53-T55 VanDerWaalsContact CA-OG1 3.27Å; R53-T55 WeakPolarHBondContact CA-OG1 3.49Å; R53-T55 HydrophobicContact CB-CG2 4.13Å; R53-T55 VanDerWaalsContact CB-OG1 3.28Å; R53-T55 WeakPolarHBondContact CB-OG1 3.38Å; R53-T55 HydrophobicContact CG-CG2 3.77Å
56Q23.7Very low24.9Very low147 Ų147144.5 Ų144.569%0.68776%0.758SS**  trans66.470.8148.9-70166.3-79.700117.4
57E25.9Very low25.1Very low192 Ų192142.4 Ų142.490%0.89775%0.753SS**  trans-152.874.5154.4-132.6164.6-13200112.1
58L24.4Very low25.3Very low170 Ų170144.6 Ų144.689%0.8976%0.755SS**SBendtrans-175.659.4149.5-104.9168.3000113.3
59L22.9Very low25.2Very low137 Ų137140.7 Ų140.772%0.71774%0.743SS**SBend-163.5142129.6-131.275.2000111.1
60N24.8Very low25.5Very low139 Ų139139.7 Ų139.774%0.74374%0.738SS**  trans61.975.1160.2-60.1-5.3000119
61S25.8Very low25.6Very low118 Ų118139.9 Ų139.983%0.82573%0.73SS**  -98.6148.3105.6-66.50000106.8
62I27.2Very low25.7Very low159 Ų159140.3 Ų140.382%0.81572%0.723SS**  cis-126.7159.629.7-66.8160.9000110.9
63H24.1Very low25.9Very low152 Ų152142.3 Ų142.370%0.70474%0.738SS**  trans-132.2148.5177.7-137.3-100.4000111
64H26.1Very low26Very low149 Ų149139.6 Ų139.669%0.6974%0.742SS**  trans70.3135.8178.9-51.5-77.4000115.8
65N26.7Very low26Very low156 Ų156134.4 Ų134.483%0.83473%0.734SS**  cis-135.6163.326.3-75.9-66.1000115
66S22.2Very low26Very low110 Ų110135 Ų13577%0.76974%0.74SS**  trans-93-168.9173-40.70000111
67P29.5Very low26Very low107 Ų107134.5 Ų134.570%0.69574%0.74SS**  cis-141.4-162.51.334.5-9.1000115.6
68I27.5Very low26Very low163 Ų163131.2 Ų131.284%0.83673%0.728SS**  trans78.6139.4161.9-57.7163.3000116.5
69S24.7Very low26Very low90 Ų90128.8 Ų128.863%0.62972%0.716SS**  cis-173.2162.4-27.5-168.40000110.3
70N27.4Very low26.1Very low132 Ų132130.3 Ų130.371%0.70672%0.724SS**  trans73.9142.8168.1-54.74.7000116.3
71N28.4Very low26Very low122 Ų122130.4 Ų130.465%0.65273%0.725SS**  cis-158.2153.2-12.1-96.41.1000105.4
72N28.5Very low26.1Very low119 Ų119132.6 Ų132.664%0.63673%0.727SS**  cis-156.2154.93.3-110.3-13.7000111.1
73N28.4Very low25.9Very low149 Ų149132.9 Ų132.980%0.79773%0.729SS**  trans66.5143.2162.1-60-1.6000118.5
74S26.9Very low25.8Very low100 Ų100130.4 Ų130.470%0.69973%0.729SS**  trans-162.7163.6-169.3-43.90000110.7
75N26.1Very low25.7Very low144 Ų144131 Ų13177%0.7774%0.737SS**  trans70.9153.3153.2-62.1-12.6000116.8
76C24.2Very low25.5Very low80 Ų80128.8 Ų128.854%0.54173%0.733SS.*  cis-162.3151.8-1.4-126.90000111.7
77I24.1Very low25.5Very low136 Ų136128.8 Ų128.870%0.69773%0.733SS**  trans66.2151.7149.4-66.9163.7000116.9
78L25.7Very low25.3Very low123 Ų123128.6 Ų128.664%0.64474%0.735SS**  trans145.1154.6148.9-77.7174.6000109.2F960L78-F960 HydrophobicContact CD1-CE1 3.88Å; L78-F960 HydrophobicContact CD1-CZ 4.19Å
79N25.5Very low25.1Very low120 Ų120127 Ų12764%0.64274%0.738SS**  cis-154.6126.6-42.5-163.21.9000109.1N81N79-N81 VanDerWaalsContact C-N 3.3Å; N79-N81 PolarHBondContact O-N 2.66Å; N79-N81 VanDerWaalsContact O-N 3.09Å
80L24.9Very low25.2Very low169 Ų169127.7 Ų127.789%0.88574%0.743SS**SBendtrans-86.673.3172-123.279.7000110
81N23.2Very low25.3Very low141 Ų141125.6 Ų125.675%0.75474%0.738SS**  trans-178.297.6156.1-94.5-29.6000111.2N79N79-N81 VanDerWaalsContact C-N 3.3Å; N79-N81 PolarHBondContact O-N 2.66Å; N79-N81 VanDerWaalsContact O-N 3.09Å
82N26.4Very low25.5Very low163 Ų163127.7 Ų127.787%0.87275%0.749SS**  trans-155.4104.3141.3-123.2-9000110.3
83L23.7Very low25.8Very low165 Ų165130.3 Ų130.386%0.86476%0.755SS**  trans-105.184.4178.3-18072.7000109L85L83-L85 PolarHBondContact O-N 3.01Å
84S21.5Very low26.4Very low101 Ų101130 Ų13071%0.70675%0.749SS**  trans-94.980.8173.637.50000111.1S86S84-S86 PolarHBondContact O-N 3.12Å
85L24.6Very low27.8Very low161 Ų161129.1 Ų129.184%0.84374%0.741SS**  trans-33.6113.2174.9-177.372000114.8L83L83-L85 PolarHBondContact O-N 3.01Å
86S21.6Very low30.3Very low109 Ų109127.8 Ų127.876%0.76273%0.73SS**  trans-141.385166.540.50000112.3S84S84-S86 PolarHBondContact O-N 3.12Å
87S22.5Very low33.6Very low110 Ų110128.4 Ų128.477%0.76973%0.728SS**SBendtrans31.887.4149.4-54.20000120.1
88S25.1Very low37Very low104 Ų104122 Ų12273%0.72770%0.695SS**  trans-171.263.5146.7-86.20000113.5S90S88-S90 PolarHBondContact O-N 3.45Å
89S25.1Very low40.3Very low130 Ų130118.3 Ų118.391%0.90968%0.679SS**THydrogen-bonded Turntrans-7860.8175.558.80000112.7
90S26.3Very low43.7Very low103 Ų103112.6 Ų112.672%0.7265%0.648SS**THydrogen-bonded Turntrans-137.6-9.2-171.1-51.80000115.5S88S88-S90 PolarHBondContact O-N 3.45Å
91S29.7Very low47.1Very low88 Ų88104.6 Ų104.662%0.61561%0.606SS**  trans-91.4-9.9-162.4530000116.6F93 H94S91-F93 PolarHBondContact O-N 3.04Å; S91-H94 PolarHBondContact O-N 3.11Å
92L32.6Very low50.5Low166 Ų16699.8 Ų99.887%0.86959%0.59SS**THydrogen-bonded Turntrans-67.9-3-169.9-138.582000115.6
93F33.6Very low53.8Low174 Ų17493.3 Ų93.376%0.76356%0.555SS**THydrogen-bonded Turntrans-117.78.4174.7-74.5-79.1000114.3S91S91-F93 PolarHBondContact O-N 3.04Å
94H42.5Very low57.2Low144 Ų14492.4 Ų92.467%0.66755%0.545SS*.  trans-127.181174.1-87.664.9000111.1S91 E96S91-H94 PolarHBondContact O-N 3.11Å; H94-E96 PolarHBondContact O-N 2.8Å
95C54.6Low60.7Low80 Ų8089.3 Ų89.354%0.54152%0.521SS..  trans-85.882.9166.8-156.80000108.9N97 V105C95-N97 PolarHBondContact O-N 3.18Å; C95-N97 PolarHBondContact SG-O 3.38Å; C95-V105 WeakPolarHBondContact O-CG2 3.25Å
96E79Confident63.9Low117 Ų11784.7 Ų84.755%0.54750%0.503SS..  trans-69-15.8178.7-59.9-157.9147.700113.2H94 V105H94-E96 PolarHBondContact O-N 2.8Å; E96-V105 PolarHBondContact O-N 3.3Å
97N92.7Very high67.2Low92 Ų9280.7 Ų80.749%0.49248%0.478SS..BIsolated β-bridgetrans-108.9136.2-175.7-61.186.6000110.8C95 G102C95-N97 PolarHBondContact O-N 3.18Å; C95-N97 PolarHBondContact SG-O 3.38Å; N97-G102 WeakPolarHBondContact CB-O 3.24Å; N97-G102 PolarHBondContact ND2-O 2.95Å
98C96.5Very high70.5Confident2 Ų281 Ų811%0.01446%0.463CS..  trans-68123.5-176.5175.30000111.5I100 C101 G102 D103 V105 C115C98-I100 PolarHBondContact O-N 3.48Å; C98-C101 PolarHBondContact O-N 3.4Å; C98-G102 PolarHBondContact O-N 2.99Å; C98-D103 WeakPolarHBondContact CB-O 3.11Å; C98-D103 PolarHBondContact N-O 2.67Å; C98-V105 HydrophobicContact CB-CG2 4.46Å; C98-C115 HydrophobicContact CB-CB 3.81Å; C98-C115 PolarHBondContact SG-N 2.89Å; C98-C115 VanDerWaalsContact SG-N 3.37Å
99P94.6Very high73.8Confident45 Ų4577.4 Ų77.429%0.29244%0.435SS..THydrogen-bonded Turntrans-64.9-14.1-174.625-33.9000114.1P113 K157 V161P99-P113 WeakPolarHBondContact CD-O 3.08Å; P99-K157 WeakPolarHBondContact O-CE 3.19Å; P99-V161 HydrophobicContact CB-CG1 4.22Å
100I96.2Very high77.2Confident0 Ų073.2 Ų73.20%040%0.4CS..THydrogen-bonded Turntrans-80-34173.6-57.993.2000112.2C98 T114 C118 V142 R154 K157 V161 M163C98-I100 PolarHBondContact O-N 3.48Å; I100-T114 HydrophobicContact CD1-CG2 3.39Å; I100-C118 HydrophobicContact CD1-CB 4.44Å; I100-V142 HydrophobicContact CG2-CG1 4.16Å; I100-V142 WeakPolarHBondContact O-CG1 3.35Å; I100-R154 HydrophobicContact CG2-CG 4.2Å; I100-K157 HydrophobicContact CG2-CB 4.44Å; I100-K157 HydrophobicContact CG2-CD 4.44Å; I100-K157 HydrophobicContact CG2-CG 4.39Å; I100-K157 VanDerWaalsContact O-CD 3.25Å; I100-K157 WeakPolarHBondContact O-CD 3.28Å; I100-K157 WeakPolarHBondContact O-CE 3.31Å; I100-K157 PolarHBondContact O-NZ 2.86Å; I100-V161 HydrophobicContact CD1-CG2 3.76Å; I100-V161 HydrophobicContact CG1-CG2 3.72Å; I100-M163 HydrophobicContact CD1-CG 4.33Å; I100-M163 HydrophobicContact CD1-SD 3.69Å; I100-M163 HydrophobicContact CG1-SD 4.22Å
101C97.1Very high80.1Confident1 Ų169.7 Ų69.71%0.00738%0.379CS..THydrogen-bonded Turntrans-153.212.6-170.670.20000117.2C98 D103 V142 D143 R144 R147C98-C101 PolarHBondContact O-N 3.4Å; C101-D103 PolarHBondContact O-N 3.03Å; C101-V142 WeakPolarHBondContact CA-O 3.33Å; C101-V142 HydrophobicContact CB-CG1 4.36Å; C101-D143 CarbonylContact O-C 3.59Å; C101-D143 VanDerWaalsContact O-C 3.31Å; C101-D143 WeakPolarHBondContact O-CA 3.37Å; C101-R144 WeakPolarHBondContact O-CA 3.47Å; C101-R144 PolarHBondContact O-N 2.98Å; C101-R147 HydrophobicContact CB-CB 4.18Å; C101-R147 PolarHBondContact SG-NH1 3.04Å
102G95.2Very high83Confident40 Ų4066 Ų6641%0.41235%0.353SS..SBendtrans71-13.317800000116.4N97 C98N97-G102 WeakPolarHBondContact CB-O 3.24Å; N97-G102 PolarHBondContact ND2-O 2.95Å; C98-G102 PolarHBondContact O-N 2.99Å
103D96Very high85.9Confident27 Ų2759.1 Ų59.114%0.14432%0.318CS..PPolyproline II helixtrans-68.1152.9178.1-162.919.1000112.5C98 C101 V105 C115 R144 R147C98-D103 WeakPolarHBondContact CB-O 3.11Å; C98-D103 PolarHBondContact N-O 2.67Å; C101-D103 PolarHBondContact O-N 3.03Å; D103-V105 PolarHBondContact O-N 3.06Å; D103-C115 HydrophobicContact CB-CB 4.1Å; D103-R144 HydrophobicContact CB-CB 4.23Å; D103-R144 HydrophobicContact CB-CG 3.89Å; D103-R144 WeakPolarHBondContact OD1-CD 3.36Å; D103-R144 IonicContact OD1-CZ 2.65Å; D103-R144 IonicContact OD1-NE 2.69Å; D103-R144 PolarHBondContact OD1-NE 3.4Å; D103-R144 IonicContact OD1-NH2 2.81Å; D103-R147 VanDerWaalsContact CB-NH1 3.3Å; D103-R147 IonicContact OD2-CZ 2.75Å; D103-R147 IonicContact OD2-NH1 2.66Å; D103-R147 PolarHBondContact OD2-NH1 3.35Å; D103-R147 IonicContact OD2-NH2 2.63Å; D103-R147 PolarHBondContact OD2-NH2 2.99Å
104K94.4Very high88.8Confident147 Ų14750.8 Ų50.864%0.63928%0.281SS*.BIsolated β-bridgetrans-58.5135.2-170.6-169.5170.1-176.4170.90112.5C115K104-C115 WeakPolarHBondContact O-CA 3.37Å; K104-C115 WeakPolarHBondContact O-CB 3.41Å
105V95.3Very high91.4Very high36 Ų3644 Ų4422%0.21825%0.25CC..PPolyproline II helixtrans-65.3132.6177168.70000110.5C95 E96 C98 D103 P113C95-V105 WeakPolarHBondContact O-CG2 3.25Å; E96-V105 PolarHBondContact O-N 3.3Å; C98-V105 HydrophobicContact CB-CG2 4.46Å; D103-V105 PolarHBondContact O-N 3.06Å; V105-P113 HydrophobicContact CG1-CB 3.92Å; V105-P113 HydrophobicContact CG2-CB 4.25Å
106S92.5Very high93.4Very high64 Ų6444.8 Ų44.845%0.44825%0.246SC..  trans-102.2-11.4173.667.30000113.3H109 T114 E116S106-H109 PolarHBondContact OG-NE2 2.81Å; S106-T114 PolarHBondContact N-O 3.09Å; S106-E116 PolarHBondContact OG-N 3.19Å; S106-E116 PolarHBondContact OG-OE2 2.92Å; S106-E116 VanDerWaalsContact OG-OE2 3.06Å
107G89.2Confident94.3Very high24 Ų2441.3 Ų41.325%0.24723%0.234CC..EExtended strand (participates in β ladder)trans158-175.1176.900000112.7H109 P113 T114G107-H109 PolarHBondContact N-NE2 3.27Å; G107-H109 PolarHBondContact O-CD2 3.45Å; G107-H109 VanDerWaalsContact O-CD2 3.31Å; G107-P113 WeakPolarHBondContact O-CA 2.92Å; G107-T114 PolarHBondContact O-N 2.83Å
108Y92.6Very high94.5Very high117 Ų11736.9 Ų36.946%0.45921%0.211SC..EExtended strand (participates in β ladder)trans-80116.1168.6-85.4-100.9000109.9L112 P113Y108-L112 WeakPolarHBondContact CA-O 2.96Å; Y108-P113 HydrophobicContact CE1-CG 4.44Å; Y108-P113 HydrophobicContact CE2-CB 4.22Å
109H94.7Very high94.5Very high29 Ų2939.3 Ų39.313%0.13422%0.221CC..EExtended strand (participates in β ladder)trans-128.3130.1177.5-49.4-70000109.6S106 G107 G111 L112 T114 E116 K119S106-H109 PolarHBondContact OG-NE2 2.81Å; G107-H109 PolarHBondContact N-NE2 3.27Å; G107-H109 PolarHBondContact O-CD2 3.45Å; G107-H109 VanDerWaalsContact O-CD2 3.31Å; H109-G111 PolarHBondContact O-N 3.13Å; H109-G111 VanDerWaalsContact O-N 3.13Å; H109-L112 PolarHBondContact N-O 3.13Å; H109-L112 PolarHBondContact O-N 2.94Å; H109-L112 VanDerWaalsContact O-N 3.17Å; H109-T114 PolarHBondContact CD2-O 3.44Å; H109-T114 PolarHBondContact CD2-OG1 2.72Å; H109-E116 IonicContact CE1-OE2 3.62Å; H109-E116 IonicContact NE2-OE2 2.72Å; H109-K119 HydrophobicContact CB-CB 3.81Å; H109-K119 HydrophobicContact CB-CD 4.45Å; H109-K119 HydrophobicContact CB-CG 3.79Å; H109-K119 VanDerWaalsContact CE1-CE 3.49Å; H109-K119 WeakPolarHBondContact CE1-CE 3.34Å; H109-K119 WeakPolarHBondContact ND1-CD 3.4Å; H109-K119 VanDerWaalsContact ND1-CE 3.29Å; H109-K119 WeakPolarHBondContact ND1-CE 3.33Å
110Y95.1Very high94.6Very high42 Ų4238 Ų3817%0.16522%0.216CC..THydrogen-bonded Turntrans50.538.6177.6-48.5-65.8000113.8K119 F122 K123 M163 R164 A167 V168Y110-K119 HydrophobicContact CE2-CB 4.38Å; Y110-K119 HydrophobicContact CE2-CG 3.81Å; Y110-F122 HydrophobicContact CD1-CD1 4.4Å; Y110-F122 AromaticContact CD2-CD1 3.67Å; Y110-F122 HydrophobicContact CD2-CD1 3.67Å; Y110-F122 HydrophobicContact CD2-CE1 4.41Å; Y110-F122 HydrophobicContact CD2-CG 4.48Å; Y110-F122 HydrophobicContact CE2-CD1 4.33Å; Y110-F122 AromaticContact CG-CD1 3.71Å; Y110-F122 HydrophobicContact CG-CD1 3.71Å; Y110-F122 AromaticContact CG-CE1 3.99Å; Y110-F122 HydrophobicContact CG-CE1 3.99Å; Y110-K123 HydrophobicContact CE2-CB 4.21Å; Y110-K123 WeakPolarHBondContact OH-CB 3.23Å; Y110-K123 WeakPolarHBondContact OH-CG 3.45Å; Y110-M163 HydrophobicContact CD2-CE 3.82Å; Y110-M163 HydrophobicContact CG-CE 4.41Å; Y110-M163 WeakPolarHBondContact O-CA 3.4Å; Y110-R164 WeakPolarHBondContact O-CB 3.5Å; Y110-R164 PolarHBondContact O-N 3.22Å; Y110-A167 HydrophobicContact CD1-CB 3.96Å; Y110-V168 HydrophobicContact CD1-CG2 3.63Å; Y110-V168 HydrophobicContact CE1-CB 4.42Å; Y110-V168 HydrophobicContact CE1-CG2 3.65Å; Y110-V168 HydrophobicContact CG-CG2 4.31Å
111G87.8Confident94.7Very high28 Ų2839 Ų3929%0.28922%0.22SC..THydrogen-bonded Turntrans98.1-9.1176.500000116.4H109H109-G111 PolarHBondContact O-N 3.13Å; H109-G111 VanDerWaalsContact O-N 3.13Å
112L90.8Very high94.7Very high11 Ų1139 Ų396%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-136.7151.1-174-66.5175.4000114Y108 H109 T114 V161 M163Y108-L112 WeakPolarHBondContact CA-O 2.96Å; H109-L112 PolarHBondContact N-O 3.13Å; H109-L112 PolarHBondContact O-N 2.94Å; H109-L112 VanDerWaalsContact O-N 3.17Å; L112-T114 HydrophobicContact CB-CG2 3.89Å; L112-T114 PolarHBondContact O-N 3.15Å; L112-V161 HydrophobicContact CD1-CB 4.01Å; L112-V161 HydrophobicContact CD1-CG2 3.47Å; L112-V161 VanDerWaalsContact CD1-CG2 3.47Å; L112-V161 VanDerWaalsContact CD1-O 3.31Å; L112-V161 WeakPolarHBondContact CD1-O 3.31Å; L112-M163 HydrophobicContact CD1-CG 3.89Å
113P93Very high94.8Very high21 Ų2141 Ų4114%0.13622%0.217CC..EExtended strand (participates in β ladder)trans-66.3112.6168.129-32.6000109.5P99 V105 G107 Y108P99-P113 WeakPolarHBondContact CD-O 3.08Å; V105-P113 HydrophobicContact CG1-CB 3.92Å; V105-P113 HydrophobicContact CG2-CB 4.25Å; G107-P113 WeakPolarHBondContact O-CA 2.92Å; Y108-P113 HydrophobicContact CE1-CG 4.44Å; Y108-P113 HydrophobicContact CE2-CB 4.22Å
114T95.6Very high94.7Very high0 Ų047.2 Ų47.20%024%0.239CC..EExtended strand (participates in β ladder)trans-142.7164.4-17456.10000112.9I100 S106 G107 H109 L112 M163I100-T114 HydrophobicContact CD1-CG2 3.39Å; S106-T114 PolarHBondContact N-O 3.09Å; G107-T114 PolarHBondContact O-N 2.83Å; H109-T114 PolarHBondContact CD2-O 3.44Å; H109-T114 PolarHBondContact CD2-OG1 2.72Å; L112-T114 HydrophobicContact CB-CG2 3.89Å; L112-T114 PolarHBondContact O-N 3.15Å; T114-M163 HydrophobicContact CG2-CE 4.48Å; T114-M163 HydrophobicContact CG2-SD 4.32Å
115C97.4Very high94.8Very high1 Ų140.3 Ų40.31%0.00721%0.209CC..  trans-82.3154.3175.170.80000111.5C98 D103 K104 S117 C118 K119C98-C115 HydrophobicContact CB-CB 3.81Å; C98-C115 PolarHBondContact SG-N 2.89Å; C98-C115 VanDerWaalsContact SG-N 3.37Å; D103-C115 HydrophobicContact CB-CB 4.1Å; K104-C115 WeakPolarHBondContact O-CA 3.37Å; K104-C115 WeakPolarHBondContact O-CB 3.41Å; C115-S117 VanDerWaalsContact C-N 3.25Å; C115-S117 PolarHBondContact O-N 2.88Å; C115-C118 PolarHBondContact O-N 3.44Å; C115-K119 PolarHBondContact O-N 3.48Å; C115-K119 VanDerWaalsContact O-N 3.14Å
116E96.3Very high94.8Very high97 Ų9739.7 Ų39.745%0.45321%0.205SC..Hα-helixtrans-56.7-36-174.6-167.460.8-156.500113.2S106 H109 C118 K119 G120S106-E116 PolarHBondContact OG-N 3.19Å; S106-E116 PolarHBondContact OG-OE2 2.92Å; S106-E116 VanDerWaalsContact OG-OE2 3.06Å; H109-E116 IonicContact CE1-OE2 3.62Å; H109-E116 IonicContact NE2-OE2 2.72Å; E116-C118 PolarHBondContact O-N 2.9Å; E116-K119 VanDerWaalsContact CD-CD 3.44Å; E116-K119 WeakPolarHBondContact O-CB 3.16Å; E116-K119 VanDerWaalsContact OE1-CD 3.26Å; E116-K119 WeakPolarHBondContact OE1-CD 3.39Å; E116-K119 WeakPolarHBondContact OE1-CE 3.22Å; E116-K119 IonicContact OE1-NZ 3.16Å; E116-K119 PolarHBondContact OE1-NZ 3.08Å; E116-K119 WeakPolarHBondContact OE2-CD 3.48Å; E116-K119 IonicContact OE2-NZ 3.43Å; E116-K119 PolarHBondContact OE2-NZ 3.1Å; E116-G120 PolarHBondContact O-N 3.47Å
117S96.3Very high94.8Very high43 Ų4338.6 Ų38.630%0.30119%0.193SC..Hα-helixtrans-70.3-31.7178.885.70000113.1C115 F121 R147 R154C115-S117 VanDerWaalsContact C-N 3.25Å; C115-S117 PolarHBondContact O-N 2.88Å; S117-F121 WeakPolarHBondContact O-CB 3.32Å; S117-F121 PolarHBondContact O-N 3.39Å; S117-R147 VanDerWaalsContact OG-CZ 3.3Å; S117-R147 PolarHBondContact OG-NH1 3.47Å; S117-R154 VanDerWaalsContact C-NH2 3.27Å; S117-R154 PolarHBondContact O-NH2 3.16Å; S117-R154 PolarHBondContact OG-NH2 2.93Å
118C98.3Very high95Very high0 Ų041.5 Ų41.50%020%0.203CC..Hα-helixtrans-76.2-39.4176.5-730000111.7I100 C115 E116 F121 F122 R154I100-C118 HydrophobicContact CD1-CB 4.44Å; C115-C118 PolarHBondContact O-N 3.44Å; E116-C118 PolarHBondContact O-N 2.9Å; C118-F121 PolarHBondContact O-N 2.89Å; C118-F122 VanDerWaalsContact O-CB 3.24Å; C118-F122 WeakPolarHBondContact O-CB 3.22Å; C118-F122 PolarHBondContact O-N 2.8Å; C118-R154 PolarHBondContact SG-NH2 3.41Å
119K96.8Very high95Very high53 Ų5342.6 Ų42.623%0.2321%0.21CC..Hα-helixtrans-53-55166.8168-151.4-164.9-178.10111.3H109 Y110 C115 E116 F121 F122 K123H109-K119 HydrophobicContact CB-CB 3.81Å; H109-K119 HydrophobicContact CB-CD 4.45Å; H109-K119 HydrophobicContact CB-CG 3.79Å; H109-K119 VanDerWaalsContact CE1-CE 3.49Å; H109-K119 WeakPolarHBondContact CE1-CE 3.34Å; H109-K119 WeakPolarHBondContact ND1-CD 3.4Å; H109-K119 VanDerWaalsContact ND1-CE 3.29Å; H109-K119 WeakPolarHBondContact ND1-CE 3.33Å; Y110-K119 HydrophobicContact CE2-CB 4.38Å; Y110-K119 HydrophobicContact CE2-CG 3.81Å; C115-K119 PolarHBondContact O-N 3.48Å; C115-K119 VanDerWaalsContact O-N 3.14Å; E116-K119 VanDerWaalsContact CD-CD 3.44Å; E116-K119 WeakPolarHBondContact O-CB 3.16Å; E116-K119 VanDerWaalsContact OE1-CD 3.26Å; E116-K119 WeakPolarHBondContact OE1-CD 3.39Å; E116-K119 WeakPolarHBondContact OE1-CE 3.22Å; E116-K119 IonicContact OE1-NZ 3.16Å; E116-K119 PolarHBondContact OE1-NZ 3.08Å; E116-K119 WeakPolarHBondContact OE2-CD 3.48Å; E116-K119 IonicContact OE2-NZ 3.43Å; E116-K119 PolarHBondContact OE2-NZ 3.1Å; K119-F121 PolarHBondContact O-N 3.15Å; K119-F122 PolarHBondContact O-N 2.66Å; K119-K123 WeakPolarHBondContact O-CB 3.42Å; K119-K123 PolarHBondContact O-N 3.42Å
120G96.4Very high94.9Very high18 Ų1846.4 Ų46.419%0.18623%0.226CC..Hα-helixtrans-62.8-41.8-179.100000113.3E116 R124E116-G120 PolarHBondContact O-N 3.47Å; G120-R124 WeakPolarHBondContact O-CG 3.47Å; G120-R124 PolarHBondContact O-N 3.31Å; G120-R124 VanDerWaalsContact O-N 3.11Å
121F97.9Very high94.9Very high20 Ų2052.5 Ų52.59%0.08826%0.256CS..Hα-helixtrans-61.9-48.2174.6172.9-98.5000112.4S117 C118 K119 R124 T125 Y132 A151 R154 F155S117-F121 WeakPolarHBondContact O-CB 3.32Å; S117-F121 PolarHBondContact O-N 3.39Å; C118-F121 PolarHBondContact O-N 2.89Å; K119-F121 PolarHBondContact O-N 3.15Å; F121-R124 PolarHBondContact O-N 3.12Å; F121-T125 WeakPolarHBondContact O-CB 3.26Å; F121-T125 PolarHBondContact O-N 3.48Å; F121-T125 PolarHBondContact O-OG1 2.88Å; F121-Y132 AromaticContact CE2-CE2 3.89Å; F121-Y132 HydrophobicContact CE2-CE2 3.89Å; F121-Y132 HydrophobicContact CZ-CD2 4.35Å; F121-Y132 AromaticContact CZ-CE2 3.64Å; F121-Y132 HydrophobicContact CZ-CE2 3.64Å; F121-A151 HydrophobicContact CE2-CB 4.13Å; F121-A151 HydrophobicContact CZ-CB 4.27Å; F121-A151 WeakPolarHBondContact CZ-O 3.39Å; F121-R154 HydrophobicContact CD1-CG 3.85Å; F121-R154 HydrophobicContact CE1-CB 3.97Å; F121-R154 HydrophobicContact CE1-CG 3.62Å; F121-R154 HydrophobicContact CZ-CB 4.09Å; F121-R154 HydrophobicContact CZ-CG 4.13Å; F121-F155 HydrophobicContact CE1-CB 3.84Å; F121-F155 HydrophobicContact CE1-CD2 4.3Å; F121-F155 HydrophobicContact CZ-CB 3.99Å
122F97.6Very high95.3Very high0 Ų053.9 Ų53.90%025%0.253CS..Hα-helixtrans-63.1-47.1179.8-172.3-98.8000111.5Y110 C118 K119 R124 T125 V126 F155 C158 L159 M163 R164 V165 V168Y110-F122 HydrophobicContact CD1-CD1 4.4Å; Y110-F122 AromaticContact CD2-CD1 3.67Å; Y110-F122 HydrophobicContact CD2-CD1 3.67Å; Y110-F122 HydrophobicContact CD2-CE1 4.41Å; Y110-F122 HydrophobicContact CD2-CG 4.48Å; Y110-F122 HydrophobicContact CE2-CD1 4.33Å; Y110-F122 AromaticContact CG-CD1 3.71Å; Y110-F122 HydrophobicContact CG-CD1 3.71Å; Y110-F122 AromaticContact CG-CE1 3.99Å; Y110-F122 HydrophobicContact CG-CE1 3.99Å; C118-F122 VanDerWaalsContact O-CB 3.24Å; C118-F122 WeakPolarHBondContact O-CB 3.22Å; C118-F122 PolarHBondContact O-N 2.8Å; K119-F122 PolarHBondContact O-N 2.66Å; F122-R124 PolarHBondContact O-N 3.33Å; F122-T125 PolarHBondContact O-N 3.08Å; F122-V126 HydrophobicContact CD1-CG2 4.35Å; F122-V126 HydrophobicContact CE1-CG2 4.02Å; F122-V126 HydrophobicContact CE2-CG2 4.3Å; F122-V126 HydrophobicContact CZ-CG2 3.99Å; F122-V126 WeakPolarHBondContact O-CG2 3.36Å; F122-V126 PolarHBondContact O-N 3.35Å; F122-F155 HydrophobicContact CD2-CD2 4.07Å; F122-F155 AromaticContact CD2-CE2 3.73Å; F122-F155 HydrophobicContact CD2-CE2 3.73Å; F122-F155 HydrophobicContact CE2-CD2 4.36Å; F122-F155 AromaticContact CE2-CE2 3.71Å; F122-F155 HydrophobicContact CE2-CE2 3.71Å; F122-C158 HydrophobicContact CD2-CB 3.7Å; F122-C158 HydrophobicContact CE2-CB 4.14Å; F122-L159 HydrophobicContact CE2-CD2 4.06Å; F122-M163 HydrophobicContact CB-CE 3.66Å; F122-M163 HydrophobicContact CB-SD 4.24Å; F122-M163 HydrophobicContact CD1-CB 4.38Å; F122-M163 HydrophobicContact CD1-CE 3.98Å; F122-M163 HydrophobicContact CD2-CB 3.86Å; F122-M163 HydrophobicContact CD2-CE 4.28Å; F122-M163 HydrophobicContact CD2-SD 4.16Å; F122-M163 HydrophobicContact CE1-CB 4.11Å; F122-M163 HydrophobicContact CE2-CB 3.55Å; F122-M163 HydrophobicContact CG-CB 4.26Å; F122-M163 HydrophobicContact CG-CE 3.72Å; F122-M163 HydrophobicContact CG-SD 4.18Å; F122-M163 HydrophobicContact CZ-CB 3.69Å; F122-M163 VanDerWaalsContact CZ-O 3.3Å; F122-M163 WeakPolarHBondContact CZ-O 3.47Å; F122-R164 WeakPolarHBondContact CE1-O 3.49Å; F122-V165 HydrophobicContact CZ-CG2 3.96Å; F122-V168 HydrophobicContact CD1-CG2 3.93Å; F122-V168 HydrophobicContact CE1-CG2 3.71Å
123K95.9Very high95.4Very high82 Ų8260.7 Ų60.736%0.35728%0.284SS..Hα-helixtrans-54.6-52.2176.1-168.4-168.2-172-115.20111.7Y110 K119 T125 V126 Q127 V168Y110-K123 HydrophobicContact CE2-CB 4.21Å; Y110-K123 WeakPolarHBondContact OH-CB 3.23Å; Y110-K123 WeakPolarHBondContact OH-CG 3.45Å; K119-K123 WeakPolarHBondContact O-CB 3.42Å; K119-K123 PolarHBondContact O-N 3.42Å; K123-T125 VanDerWaalsContact C-N 3.33Å; K123-T125 PolarHBondContact O-N 2.67Å; K123-V126 PolarHBondContact O-N 3.09Å; K123-Q127 HydrophobicContact CG-CG 4.21Å; K123-Q127 WeakPolarHBondContact O-CB 3.36Å; K123-Q127 WeakPolarHBondContact O-CG 3.49Å; K123-Q127 PolarHBondContact O-N 2.93Å; K123-V168 HydrophobicContact CG-CG1 4.36Å
124R95.3Very high95.6Very high158 Ų15861.2 Ų61.260%0.59629%0.288SS*.Hα-helixtrans-64.7-36.5-179-73-169.2-63.1-102.96.8112.6G120 F121 F122 N128G120-R124 WeakPolarHBondContact O-CG 3.47Å; G120-R124 PolarHBondContact O-N 3.31Å; G120-R124 VanDerWaalsContact O-N 3.11Å; F121-R124 PolarHBondContact O-N 3.12Å; F122-R124 PolarHBondContact O-N 3.33Å; R124-N128 WeakPolarHBondContact O-CB 3.42Å; R124-N128 PolarHBondContact O-N 3.4Å
125T96.5Very high95.4Very high2 Ų268 Ų681%0.01232%0.324CS..Hα-helixtrans-66-47.1178.5-54.80000111F121 F122 K123 K129 K130 Y132 F155F121-T125 WeakPolarHBondContact O-CB 3.26Å; F121-T125 PolarHBondContact O-N 3.48Å; F121-T125 PolarHBondContact O-OG1 2.88Å; F122-T125 PolarHBondContact O-N 3.08Å; K123-T125 VanDerWaalsContact C-N 3.33Å; K123-T125 PolarHBondContact O-N 2.67Å; T125-K129 WeakPolarHBondContact O-CA 3.38Å; T125-K129 PolarHBondContact O-N 3.32Å; T125-K129 VanDerWaalsContact O-N 3.16Å; T125-K130 HydrophobicContact CG2-CB 4.3Å; T125-K130 WeakPolarHBondContact CG2-O 3.41Å; T125-K130 PolarHBondContact O-N 3.42Å; T125-Y132 HydrophobicContact CG2-CD2 4.16Å; T125-Y132 HydrophobicContact CG2-CE2 3.43Å; T125-Y132 VanDerWaalsContact CG2-CE2 3.43Å; T125-Y132 WeakPolarHBondContact OG1-CE2 3.48Å; T125-Y132 PolarHBondContact OG1-OH 3.01Å; T125-Y132 VanDerWaalsContact OG1-OH 3.07Å; T125-F155 HydrophobicContact CG2-CD1 3.92Å; T125-F155 HydrophobicContact CG2-CD2 3.59Å; T125-F155 HydrophobicContact CG2-CE1 3.9Å; T125-F155 HydrophobicContact CG2-CE2 3.57Å; T125-F155 HydrophobicContact CG2-CG 3.78Å; T125-F155 HydrophobicContact CG2-CZ 3.73Å
126V94.9Very high95Very high23 Ų2373.2 Ų73.214%0.13935%0.349CS..Hα-helixtrans-71.8-49.1-179.8175.50000112.4F122 K123 N128 K129 F155 V165 V168F122-V126 HydrophobicContact CD1-CG2 4.35Å; F122-V126 HydrophobicContact CE1-CG2 4.02Å; F122-V126 HydrophobicContact CE2-CG2 4.3Å; F122-V126 HydrophobicContact CZ-CG2 3.99Å; F122-V126 WeakPolarHBondContact O-CG2 3.36Å; F122-V126 PolarHBondContact O-N 3.35Å; K123-V126 PolarHBondContact O-N 3.09Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 3.33Å; V126-K129 PolarHBondContact O-N 3.28Å; V126-K129 VanDerWaalsContact O-N 3.12Å; V126-F155 HydrophobicContact CG2-CE2 4.11Å; V126-F155 HydrophobicContact CG2-CZ 4.19Å; V126-V165 HydrophobicContact CG1-CG1 3.66Å; V126-V165 HydrophobicContact CG2-CG1 4.08Å; V126-V165 HydrophobicContact CG2-CG2 4.36Å; V126-V168 HydrophobicContact CB-CB 4.15Å; V126-V168 HydrophobicContact CB-CG1 4.08Å; V126-V168 HydrophobicContact CB-CG2 4.01Å; V126-V168 HydrophobicContact CG1-CB 3.69Å; V126-V168 HydrophobicContact CG1-CG1 3.86Å; V126-V168 HydrophobicContact CG1-CG2 3.99Å; V126-V168 HydrophobicContact CG2-CG2 4.27Å
127Q92.9Very high94.8Very high42 Ų4277.1 Ų77.120%0.19637%0.367CS..Hα-helixtrans-62.5-37.3-177.3-70.9-164.4-57.400112.7K123 K129 V168 R169K123-Q127 HydrophobicContact CG-CG 4.21Å; K123-Q127 WeakPolarHBondContact O-CB 3.36Å; K123-Q127 WeakPolarHBondContact O-CG 3.49Å; K123-Q127 PolarHBondContact O-N 2.93Å; Q127-K129 VanDerWaalsContact C-N 3.33Å; Q127-V168 HydrophobicContact CG-CG1 3.4Å; Q127-R169 PolarHBondContact NE2-O 3.33Å
128N93.1Very high94.5Very high84 Ų8476.2 Ų76.245%0.44936%0.364SS..THydrogen-bonded Turntrans-95.110.6179.8-59.813.8000112.3R124 V126 K130R124-N128 WeakPolarHBondContact O-CB 3.42Å; R124-N128 PolarHBondContact O-N 3.4Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 3.33Å; N128-K130 HydrophobicContact CB-CG 4.06Å; N128-K130 PolarHBondContact O-N 3.35Å
129K92.4Very high94.3Very high140 Ų14082.7 Ų82.761%0.60940%0.399SS*.THydrogen-bonded Turntrans46.140.4179.2-60.3177.5-177.71760112.4T125 V126 Q127 E131 E170T125-K129 WeakPolarHBondContact O-CA 3.38Å; T125-K129 PolarHBondContact O-N 3.32Å; T125-K129 VanDerWaalsContact O-N 3.16Å; V126-K129 PolarHBondContact O-N 3.28Å; V126-K129 VanDerWaalsContact O-N 3.12Å; Q127-K129 VanDerWaalsContact C-N 3.33Å; K129-E131 PolarHBondContact O-N 3.48Å; K129-E170 IonicContact NZ-OE1 3.61Å; K129-E170 PolarHBondContact NZ-OE1 3.46Å
130K93.2Very high94.3Very high110 Ų11080.7 Ų80.748%0.47839%0.392SS..  trans-74.5114.4-174.2-74.3-156172.9-153.20111.2T125 N128 Y132T125-K130 HydrophobicContact CG2-CB 4.3Å; T125-K130 WeakPolarHBondContact CG2-O 3.41Å; T125-K130 PolarHBondContact O-N 3.42Å; N128-K130 HydrophobicContact CB-CG 4.06Å; N128-K130 PolarHBondContact O-N 3.35Å; K130-Y132 HydrophobicContact CB-CE1 4.14Å; K130-Y132 HydrophobicContact CD-CE1 4.12Å
131E94Very high94.2Very high169 Ų16984 Ų8479%0.7941%0.408SS*.  trans-78.6141.8162.9-59.7-171160.600109.8K129K129-E131 PolarHBondContact O-N 3.48Å
132Y95.6Very high94.1Very high58 Ų5883.5 Ų83.523%0.22741%0.406CS..  trans-127151.7175.8-60.7-57.5000108.9F121 T125 K130 A151 Y152 F155F121-Y132 AromaticContact CE2-CE2 3.89Å; F121-Y132 HydrophobicContact CE2-CE2 3.89Å; F121-Y132 HydrophobicContact CZ-CD2 4.35Å; F121-Y132 AromaticContact CZ-CE2 3.64Å; F121-Y132 HydrophobicContact CZ-CE2 3.64Å; T125-Y132 HydrophobicContact CG2-CD2 4.16Å; T125-Y132 HydrophobicContact CG2-CE2 3.43Å; T125-Y132 VanDerWaalsContact CG2-CE2 3.43Å; T125-Y132 WeakPolarHBondContact OG1-CE2 3.48Å; T125-Y132 PolarHBondContact OG1-OH 3.01Å; T125-Y132 VanDerWaalsContact OG1-OH 3.07Å; K130-Y132 HydrophobicContact CB-CE1 4.14Å; K130-Y132 HydrophobicContact CD-CE1 4.12Å; Y132-A151 HydrophobicContact CD1-CB 3.66Å; Y132-A151 HydrophobicContact CD2-CB 3.8Å; Y132-A151 HydrophobicContact CE1-CB 3.81Å; Y132-A151 HydrophobicContact CE2-CB 3.94Å; Y132-A151 HydrophobicContact CG-CB 3.66Å; Y132-Y152 WeakPolarHBondContact O-CD2 3.19Å; Y132-F155 HydrophobicContact CD2-CB 4.17Å; Y132-F155 HydrophobicContact CE2-CB 4.41Å
133H94.4Very high94Very high154 Ų15486.9 Ų86.971%0.71343%0.425SS*.  trans-114.2161.4171.6-69.482.8000110.1Y152H133-Y152 WeakPolarHBondContact O-CB 3.46Å
134C97.1Very high93.9Very high32 Ų3290.8 Ų90.822%0.21644%0.437CS..  trans-101.7131.5174.2-161.30000109.6E136 G138 C150 Y152C134-E136 PolarHBondContact SG-N 3.1Å; C134-E136 PolarHBondContact SG-O 2.85Å; C134-E136 VanDerWaalsContact SG-O 3.35Å; C134-G138 VanDerWaalsContact SG-CA 3.54Å; C134-G138 PolarHBondContact SG-N 2.92Å; C134-C150 VanDerWaalsContact SG-SG 3.68Å; C134-Y152 HydrophobicContact CB-CD1 3.62Å; C134-Y152 HydrophobicContact CB-CE1 4.2Å; C134-Y152 HydrophobicContact CB-CG 4.13Å
135N91.3Very high93.8Very high143 Ų14390.1 Ų90.177%0.76544%0.444SS*.SBendtrans-83.9-3.7173.1-58.510.7000111.7
136E89.4Confident93.5Very high110 Ų11093.2 Ų93.251%0.51446%0.459SS..SBendtrans-123.8-163.5175.8-58.3174-159.100109.4C134 G138 C140C134-E136 PolarHBondContact SG-N 3.1Å; C134-E136 PolarHBondContact SG-O 2.85Å; C134-E136 VanDerWaalsContact SG-O 3.35Å; E136-G138 PolarHBondContact O-N 3.24Å; E136-C140 PolarHBondContact OE2-SG 3.26Å
137Q91.1Very high93.5Very high178 Ų17894.2 Ų94.283%0.83246%0.46SS*.SBendtrans-80.129.6-174.4-58.21754.300114.4N139Q137-N139 PolarHBondContact O-N 3.37Å; Q137-N139 VanDerWaalsContact O-N 3.16Å; Q137-N139 PolarHBondContact O-ND2 3.47Å
138G91.2Very high93.5Very high24 Ų24101.6 Ų101.625%0.24749%0.491CS..SBendtrans72.40-17800000115.8C134 E136 C153C134-G138 VanDerWaalsContact SG-CA 3.54Å; C134-G138 PolarHBondContact SG-N 2.92Å; E136-G138 PolarHBondContact O-N 3.24Å; G138-C153 PolarHBondContact O-SG 2.78Å
139N93.3Very high93.6Very high136 Ų136105.4 Ų105.473%0.72750%0.499SS*.  trans-114.319.7-168.3-64.9-34.3000114.4Q137Q137-N139 PolarHBondContact O-N 3.37Å; Q137-N139 VanDerWaalsContact O-N 3.16Å; Q137-N139 PolarHBondContact O-ND2 3.47Å
140C96.4Very high93.8Very high12 Ų1299.3 Ų99.38%0.08148%0.475CS..  trans-55.6139.6-177.1-500000112.4E136 V142 C150 C153E136-C140 PolarHBondContact OE2-SG 3.26Å; C140-V142 WeakPolarHBondContact O-CG2 2.99Å; C140-V142 PolarHBondContact O-N 2.9Å; C140-C150 HydrophobicContact CB-CB 3.62Å; C140-C150 VanDerWaalsContact SG-CB 3.52Å; C140-C153 HydrophobicContact CB-CB 3.84Å; C140-C153 VanDerWaalsContact CB-SG 3.6Å; C140-C153 PolarHBondContact N-SG 3.09Å; C140-C153 VanDerWaalsContact N-SG 3.36Å; C140-C153 PolarHBondContact SG-SG 3.46Å
141V94.6Very high93.9Very high88 Ų8895.7 Ų95.753%0.53347%0.465SS..  trans-67.5126.3178.4-178.90000111.3D143 H146V141-D143 WeakPolarHBondContact CG1-OD2 3.44Å; V141-H146 WeakPolarHBondContact O-CB 3.49Å
142V96.2Very high94.1Very high8 Ų891.4 Ų91.45%0.04844%0.442CS..  trans-117.192.4-177.4-173.60000110.3I100 C101 C140 R147 C153 R154 K157I100-V142 HydrophobicContact CG2-CG1 4.16Å; I100-V142 WeakPolarHBondContact O-CG1 3.35Å; C101-V142 WeakPolarHBondContact CA-O 3.33Å; C101-V142 HydrophobicContact CB-CG1 4.36Å; C140-V142 WeakPolarHBondContact O-CG2 2.99Å; C140-V142 PolarHBondContact O-N 2.9Å; V142-R147 HydrophobicContact CG1-CB 4.13Å; V142-C153 HydrophobicContact CG2-CB 4.05Å; V142-R154 HydrophobicContact CG1-CB 4.08Å; V142-R154 HydrophobicContact CG1-CG 3.97Å; V142-R154 HydrophobicContact CG2-CB 4.43Å; V142-K157 HydrophobicContact CB-CD 3.83Å; V142-K157 HydrophobicContact CG1-CD 4.26Å; V142-K157 HydrophobicContact CG2-CD 4.29Å; V142-K157 PolarHBondContact O-NZ 3.49Å
143D95.4Very high94.2Very high72 Ų7289 Ų8939%0.38543%0.434SS..SBendtrans-127.7176.4179.5-61.8-32.7000111.8C101 V141 L145 H146 R147C101-D143 CarbonylContact O-C 3.59Å; C101-D143 VanDerWaalsContact O-C 3.31Å; C101-D143 WeakPolarHBondContact O-CA 3.37Å; V141-D143 WeakPolarHBondContact CG1-OD2 3.44Å; D143-L145 CarbonylContact O-C 3.54Å; D143-L145 PolarHBondContact O-N 3.42Å; D143-L145 VanDerWaalsContact O-N 3.07Å; D143-H146 PolarHBondContact O-N 3.23Å; D143-H146 VanDerWaalsContact O-N 3.15Å; D143-R147 WeakPolarHBondContact O-CB 3.17Å; D143-R147 VanDerWaalsContact O-CG 3.32Å; D143-R147 WeakPolarHBondContact O-CG 3.32Å; D143-R147 PolarHBondContact O-N 3.46Å
144R94Very high94.4Very high163 Ų16382.5 Ų82.562%0.61540%0.403SS*.THydrogen-bonded Turntrans-50.8-38.6-175.1-174.8175.8-171-129.3-5.8113.3C101 D103 R147C101-R144 WeakPolarHBondContact O-CA 3.47Å; C101-R144 PolarHBondContact O-N 2.98Å; D103-R144 HydrophobicContact CB-CB 4.23Å; D103-R144 HydrophobicContact CB-CG 3.89Å; D103-R144 WeakPolarHBondContact OD1-CD 3.36Å; D103-R144 IonicContact OD1-CZ 2.65Å; D103-R144 IonicContact OD1-NE 2.69Å; D103-R144 PolarHBondContact OD1-NE 3.4Å; D103-R144 IonicContact OD1-NH2 2.81Å; R144-R147 WeakPolarHBondContact O-CD 3.3Å; R144-R147 PolarHBondContact O-NE 3.17Å
145L92.2Very high94.4Very high144 Ų14482.8 Ų82.875%0.75440%0.401SS*.THydrogen-bonded Turntrans-79.3-59.6173.6-55.5175.9000110.9D143 R147D143-L145 CarbonylContact O-C 3.54Å; D143-L145 PolarHBondContact O-N 3.42Å; D143-L145 VanDerWaalsContact O-N 3.07Å; L145-R147 VanDerWaalsContact C-N 3.34Å; L145-R147 PolarHBondContact O-N 3.07Å
146H91.8Very high94.7Very high67 Ų6779.1 Ų79.131%0.3138%0.379SS..G310 helixtrans-78.4-5.8-167.4-60.9125000115.9V141 D143 K148 R149V141-H146 WeakPolarHBondContact O-CB 3.49Å; D143-H146 PolarHBondContact O-N 3.23Å; D143-H146 VanDerWaalsContact O-N 3.15Å; H146-K148 PolarHBondContact O-N 3.21Å; H146-R149 PolarHBondContact CD2-NH1 2.91Å; H146-R149 PolarHBondContact CD2-NH2 3.42Å; H146-R149 WeakPolarHBondContact O-CB 3.05Å; H146-R149 PolarHBondContact O-N 2.73Å
147R93.4Very high95Very high45 Ų4576.9 Ų76.917%0.1737%0.367CS..G310 helixtrans-59.9-4.5177.264.6-174.2175.5179-3.2116.4C101 D103 S117 V142 D143 R144 L145 R154C101-R147 HydrophobicContact CB-CB 4.18Å; C101-R147 PolarHBondContact SG-NH1 3.04Å; D103-R147 VanDerWaalsContact CB-NH1 3.3Å; D103-R147 IonicContact OD2-CZ 2.75Å; D103-R147 IonicContact OD2-NH1 2.66Å; D103-R147 PolarHBondContact OD2-NH1 3.35Å; D103-R147 IonicContact OD2-NH2 2.63Å; D103-R147 PolarHBondContact OD2-NH2 2.99Å; S117-R147 VanDerWaalsContact OG-CZ 3.3Å; S117-R147 PolarHBondContact OG-NH1 3.47Å; V142-R147 HydrophobicContact CG1-CB 4.13Å; D143-R147 WeakPolarHBondContact O-CB 3.17Å; D143-R147 VanDerWaalsContact O-CG 3.32Å; D143-R147 WeakPolarHBondContact O-CG 3.32Å; D143-R147 PolarHBondContact O-N 3.46Å; R144-R147 WeakPolarHBondContact O-CD 3.3Å; R144-R147 PolarHBondContact O-NE 3.17Å; L145-R147 VanDerWaalsContact C-N 3.34Å; L145-R147 PolarHBondContact O-N 3.07Å; R147-R154 WeakPolarHBondContact O-CD 3.32Å; R147-R154 PolarHBondContact O-NH1 3.47Å
148K93.8Very high95.3Very high197 Ų19768.4 Ų68.486%0.85733%0.328SS*.G310 helixtrans-89.1-27.4166.3-73.8-170.2178.1-175.10112.9H146 C150H146-K148 PolarHBondContact O-N 3.21Å; K148-C150 PolarHBondContact O-N 3.34Å
149R94Very high95.6Very high163 Ų16370.2 Ų70.262%0.61533%0.332SS*.THydrogen-bonded Turntrans-62.7-36.9-168-177.4176-72.91481.9114.4H146H146-R149 PolarHBondContact CD2-NH1 2.91Å; H146-R149 PolarHBondContact CD2-NH2 3.42Å; H146-R149 WeakPolarHBondContact O-CB 3.05Å; H146-R149 PolarHBondContact O-N 2.73Å
150C97.1Very high95.7Very high13 Ų1367.2 Ų67.29%0.08832%0.315CS..  trans-142108.8-179.1-175.60000111.8C134 C140 K148 C153 R154C134-C150 VanDerWaalsContact SG-SG 3.68Å; C140-C150 HydrophobicContact CB-CB 3.62Å; C140-C150 VanDerWaalsContact SG-CB 3.52Å; K148-C150 PolarHBondContact O-N 3.34Å; C150-C153 HydrophobicContact CB-CB 4.16Å; C150-C153 PolarHBondContact SG-N 3.3Å; C150-C153 VanDerWaalsContact SG-N 3.43Å; C150-C153 PolarHBondContact SG-SG 3.39Å; C150-R154 WeakPolarHBondContact O-CB 3.42Å; C150-R154 PolarHBondContact O-N 3.33Å
151A96.2Very high95.5Very high34 Ų3467.3 Ų67.328%0.28132%0.315SS..Hα-helixtrans-66-39.4177.900000112.1F121 Y132 R154 F155F121-A151 HydrophobicContact CE2-CB 4.13Å; F121-A151 HydrophobicContact CZ-CB 4.27Å; F121-A151 WeakPolarHBondContact CZ-O 3.39Å; Y132-A151 HydrophobicContact CD1-CB 3.66Å; Y132-A151 HydrophobicContact CD2-CB 3.8Å; Y132-A151 HydrophobicContact CE1-CB 3.81Å; Y132-A151 HydrophobicContact CE2-CB 3.94Å; Y132-A151 HydrophobicContact CG-CB 3.66Å; A151-R154 PolarHBondContact O-N 2.72Å; A151-F155 WeakPolarHBondContact O-CB 3.34Å; A151-F155 PolarHBondContact O-N 2.7Å
152Y97.7Very high95.4Very high78 Ų7864.8 Ų64.831%0.30631%0.306SS..Hα-helixtrans-58.9-56.2177.1174.7-96.7000112.1Y132 H133 C134 R154 F155 Q156Y132-Y152 WeakPolarHBondContact O-CD2 3.19Å; H133-Y152 WeakPolarHBondContact O-CB 3.46Å; C134-Y152 HydrophobicContact CB-CD1 3.62Å; C134-Y152 HydrophobicContact CB-CE1 4.2Å; C134-Y152 HydrophobicContact CB-CG 4.13Å; Y152-R154 PolarHBondContact O-N 3.06Å; Y152-F155 PolarHBondContact O-N 3.01Å; Y152-F155 VanDerWaalsContact O-N 3.08Å; Y152-Q156 HydrophobicContact CD1-CG 4.15Å; Y152-Q156 HydrophobicContact CD2-CG 4.25Å; Y152-Q156 HydrophobicContact CE1-CG 3.76Å; Y152-Q156 HydrophobicContact CE2-CG 3.88Å; Y152-Q156 HydrophobicContact CG-CG 4.4Å; Y152-Q156 WeakPolarHBondContact O-CB 3.24Å; Y152-Q156 WeakPolarHBondContact O-CG 3.28Å; Y152-Q156 PolarHBondContact O-N 2.75Å; Y152-Q156 PolarHBondContact OH-NE2 3.08Å
153C97.9Very high95.3Very high8 Ų864.6 Ų64.65%0.05431%0.305CS..Hα-helixtrans-61.9-34.2-179.1-63.10000111.9G138 C140 V142 C150 K157G138-C153 PolarHBondContact O-SG 2.78Å; C140-C153 HydrophobicContact CB-CB 3.84Å; C140-C153 VanDerWaalsContact CB-SG 3.6Å; C140-C153 PolarHBondContact N-SG 3.09Å; C140-C153 VanDerWaalsContact N-SG 3.36Å; C140-C153 PolarHBondContact SG-SG 3.46Å; V142-C153 HydrophobicContact CG2-CB 4.05Å; C150-C153 HydrophobicContact CB-CB 4.16Å; C150-C153 PolarHBondContact SG-N 3.3Å; C150-C153 VanDerWaalsContact SG-N 3.43Å; C150-C153 PolarHBondContact SG-SG 3.39Å; C153-K157 VanDerWaalsContact O-CB 3.22Å; C153-K157 WeakPolarHBondContact O-CB 3.03Å; C153-K157 PolarHBondContact O-N 2.84Å
154R97.9Very high95.1Very high17 Ų1765.2 Ų65.26%0.06430%0.302CS..Hα-helixtrans-65.6-44.6173.2-173.4178-173.8168.7-1.7112.4I100 S117 C118 F121 V142 R147 C150 A151 Y152 K157 C158I100-R154 HydrophobicContact CG2-CG 4.2Å; S117-R154 VanDerWaalsContact C-NH2 3.27Å; S117-R154 PolarHBondContact O-NH2 3.16Å; S117-R154 PolarHBondContact OG-NH2 2.93Å; C118-R154 PolarHBondContact SG-NH2 3.41Å; F121-R154 HydrophobicContact CD1-CG 3.85Å; F121-R154 HydrophobicContact CE1-CB 3.97Å; F121-R154 HydrophobicContact CE1-CG 3.62Å; F121-R154 HydrophobicContact CZ-CB 4.09Å; F121-R154 HydrophobicContact CZ-CG 4.13Å; V142-R154 HydrophobicContact CG1-CB 4.08Å; V142-R154 HydrophobicContact CG1-CG 3.97Å; V142-R154 HydrophobicContact CG2-CB 4.43Å; R147-R154 WeakPolarHBondContact O-CD 3.32Å; R147-R154 PolarHBondContact O-NH1 3.47Å; C150-R154 WeakPolarHBondContact O-CB 3.42Å; C150-R154 PolarHBondContact O-N 3.33Å; A151-R154 PolarHBondContact O-N 2.72Å; Y152-R154 PolarHBondContact O-N 3.06Å; R154-K157 PolarHBondContact O-N 2.98Å; R154-C158 PolarHBondContact O-N 3.24Å; R154-C158 PolarHBondContact O-SG 2.68Å
155F97.8Very high95Very high39 Ų3960.5 Ų60.517%0.17129%0.291CS..Hα-helixtrans-70.5-41.4179.6-172-123.8000112F121 F122 T125 V126 Y132 A151 Y152 K157 C158 L159F121-F155 HydrophobicContact CE1-CB 3.84Å; F121-F155 HydrophobicContact CE1-CD2 4.3Å; F121-F155 HydrophobicContact CZ-CB 3.99Å; F122-F155 HydrophobicContact CD2-CD2 4.07Å; F122-F155 AromaticContact CD2-CE2 3.73Å; F122-F155 HydrophobicContact CD2-CE2 3.73Å; F122-F155 HydrophobicContact CE2-CD2 4.36Å; F122-F155 AromaticContact CE2-CE2 3.71Å; F122-F155 HydrophobicContact CE2-CE2 3.71Å; T125-F155 HydrophobicContact CG2-CD1 3.92Å; T125-F155 HydrophobicContact CG2-CD2 3.59Å; T125-F155 HydrophobicContact CG2-CE1 3.9Å; T125-F155 HydrophobicContact CG2-CE2 3.57Å; T125-F155 HydrophobicContact CG2-CG 3.78Å; T125-F155 HydrophobicContact CG2-CZ 3.73Å; V126-F155 HydrophobicContact CG2-CE2 4.11Å; V126-F155 HydrophobicContact CG2-CZ 4.19Å; Y132-F155 HydrophobicContact CD2-CB 4.17Å; Y132-F155 HydrophobicContact CE2-CB 4.41Å; A151-F155 WeakPolarHBondContact O-CB 3.34Å; A151-F155 PolarHBondContact O-N 2.7Å; Y152-F155 PolarHBondContact O-N 3.01Å; Y152-F155 VanDerWaalsContact O-N 3.08Å; F155-K157 VanDerWaalsContact C-N 3.34Å; F155-K157 PolarHBondContact O-N 3.29Å; F155-C158 WeakPolarHBondContact O-CB 3.43Å; F155-C158 PolarHBondContact O-N 2.77Å; F155-L159 HydrophobicContact CD1-CD1 4.09Å; F155-L159 HydrophobicContact CE1-CD1 3.79Å; F155-L159 HydrophobicContact CE1-CG 4.43Å; F155-L159 HydrophobicContact CE2-CD2 4.48Å; F155-L159 HydrophobicContact CE2-CG 4.44Å; F155-L159 HydrophobicContact CZ-CD1 4.09Å; F155-L159 HydrophobicContact CZ-CD2 4.26Å; F155-L159 HydrophobicContact CZ-CG 4.29Å; F155-L159 WeakPolarHBondContact O-CG 3.49Å; F155-L159 PolarHBondContact O-N 3.26Å
156Q96.7Very high94.9Very high65 Ų6559.9 Ų59.930%0.30429%0.285SS..Hα-helixtrans-56.1-48.2169.2-71.7-64.5-8.300110.9Y152 C158 L159 I160Y152-Q156 HydrophobicContact CD1-CG 4.15Å; Y152-Q156 HydrophobicContact CD2-CG 4.25Å; Y152-Q156 HydrophobicContact CE1-CG 3.76Å; Y152-Q156 HydrophobicContact CE2-CG 3.88Å; Y152-Q156 HydrophobicContact CG-CG 4.4Å; Y152-Q156 WeakPolarHBondContact O-CB 3.24Å; Y152-Q156 WeakPolarHBondContact O-CG 3.28Å; Y152-Q156 PolarHBondContact O-N 2.75Å; Y152-Q156 PolarHBondContact OH-NE2 3.08Å; Q156-C158 VanDerWaalsContact C-N 3.34Å; Q156-C158 PolarHBondContact O-N 2.94Å; Q156-L159 PolarHBondContact O-N 2.98Å; Q156-I160 HydrophobicContact CB-CD1 4.36Å; Q156-I160 VanDerWaalsContact O-CB 3.29Å; Q156-I160 WeakPolarHBondContact O-CB 3.19Å; Q156-I160 WeakPolarHBondContact O-CD1 3.49Å; Q156-I160 WeakPolarHBondContact O-CG1 3.35Å; Q156-I160 PolarHBondContact O-N 3.28Å
157K97.4Very high94.8Very high63 Ų6359 Ų5927%0.27429%0.289SS..Hα-helixtrans-61.4-38.7176.5-165.8173.4178.7-172.90112.3P99 I100 V142 C153 R154 F155 I160 V161P99-K157 WeakPolarHBondContact O-CE 3.19Å; I100-K157 HydrophobicContact CG2-CB 4.44Å; I100-K157 HydrophobicContact CG2-CD 4.44Å; I100-K157 HydrophobicContact CG2-CG 4.39Å; I100-K157 VanDerWaalsContact O-CD 3.25Å; I100-K157 WeakPolarHBondContact O-CD 3.28Å; I100-K157 WeakPolarHBondContact O-CE 3.31Å; I100-K157 PolarHBondContact O-NZ 2.86Å; V142-K157 HydrophobicContact CB-CD 3.83Å; V142-K157 HydrophobicContact CG1-CD 4.26Å; V142-K157 HydrophobicContact CG2-CD 4.29Å; V142-K157 PolarHBondContact O-NZ 3.49Å; C153-K157 VanDerWaalsContact O-CB 3.22Å; C153-K157 WeakPolarHBondContact O-CB 3.03Å; C153-K157 PolarHBondContact O-N 2.84Å; R154-K157 PolarHBondContact O-N 2.98Å; F155-K157 VanDerWaalsContact C-N 3.34Å; F155-K157 PolarHBondContact O-N 3.29Å; K157-I160 PolarHBondContact O-N 3.33Å; K157-V161 WeakPolarHBondContact O-CG1 3.42Å; K157-V161 WeakPolarHBondContact O-CG2 3.18Å; K157-V161 PolarHBondContact O-N 3.15Å
158C97.4Very high94.5Very high0 Ų057.6 Ų57.60%029%0.285CS..Hα-helixtrans-57-49.8171.5-73.70000112.4F122 R154 F155 Q156 V161 G162 M163F122-C158 HydrophobicContact CD2-CB 3.7Å; F122-C158 HydrophobicContact CE2-CB 4.14Å; R154-C158 PolarHBondContact O-N 3.24Å; R154-C158 PolarHBondContact O-SG 2.68Å; F155-C158 WeakPolarHBondContact O-CB 3.43Å; F155-C158 PolarHBondContact O-N 2.77Å; Q156-C158 VanDerWaalsContact C-N 3.34Å; Q156-C158 PolarHBondContact O-N 2.94Å; C158-V161 WeakPolarHBondContact O-CG2 3.16Å; C158-G162 PolarHBondContact O-N 3.15Å; C158-M163 HydrophobicContact CB-CB 4.26Å; C158-M163 HydrophobicContact CB-CG 4.21Å; C158-M163 HydrophobicContact CB-SD 3.72Å; C158-M163 VanDerWaalsContact O-CB 3.3Å; C158-M163 WeakPolarHBondContact O-CB 2.94Å; C158-M163 WeakPolarHBondContact O-CG 3.39Å; C158-M163 PolarHBondContact O-N 2.87Å
159L96.1Very high94Very high63 Ų6357.3 Ų57.333%0.3328%0.279SS..Hα-helixtrans-65.2-44.4178.9-65.3171.9000111.5F122 F155 Q156 V161 G162 V165F122-L159 HydrophobicContact CE2-CD2 4.06Å; F155-L159 HydrophobicContact CD1-CD1 4.09Å; F155-L159 HydrophobicContact CE1-CD1 3.79Å; F155-L159 HydrophobicContact CE1-CG 4.43Å; F155-L159 HydrophobicContact CE2-CD2 4.48Å; F155-L159 HydrophobicContact CE2-CG 4.44Å; F155-L159 HydrophobicContact CZ-CD1 4.09Å; F155-L159 HydrophobicContact CZ-CD2 4.26Å; F155-L159 HydrophobicContact CZ-CG 4.29Å; F155-L159 WeakPolarHBondContact O-CG 3.49Å; F155-L159 PolarHBondContact O-N 3.26Å; Q156-L159 PolarHBondContact O-N 2.98Å; L159-V161 PolarHBondContact O-N 2.92Å; L159-G162 WeakPolarHBondContact O-CA 3.41Å; L159-G162 PolarHBondContact O-N 3.47Å; L159-V165 HydrophobicContact CD2-CG2 3.58Å
160I95.8Very high93.1Very high73 Ų7353.4 Ų53.437%0.37427%0.268SS..Hα-helixtrans-60.4-42.3179.9-74.8165.6000112.4Q156 K157 G162 P191Q156-I160 HydrophobicContact CB-CD1 4.36Å; Q156-I160 VanDerWaalsContact O-CB 3.29Å; Q156-I160 WeakPolarHBondContact O-CB 3.19Å; Q156-I160 WeakPolarHBondContact O-CD1 3.49Å; Q156-I160 WeakPolarHBondContact O-CG1 3.35Å; Q156-I160 PolarHBondContact O-N 3.28Å; K157-I160 PolarHBondContact O-N 3.33Å; I160-G162 PolarHBondContact O-N 2.87Å; I160-P191 HydrophobicContact CD1-CG 4.13Å; I160-P191 HydrophobicContact CG1-CG 4.15Å; I160-P191 HydrophobicContact CG2-CG 3.6Å
161V92.2Very high91.5Very high14 Ų1456.6 Ų56.69%0.08528%0.284CS..Hα-helixtrans-72.6-16.5176-59.80000112.8P99 I100 L112 K157 C158 L159 M163P99-V161 HydrophobicContact CB-CG1 4.22Å; I100-V161 HydrophobicContact CD1-CG2 3.76Å; I100-V161 HydrophobicContact CG1-CG2 3.72Å; L112-V161 HydrophobicContact CD1-CB 4.01Å; L112-V161 HydrophobicContact CD1-CG2 3.47Å; L112-V161 VanDerWaalsContact CD1-CG2 3.47Å; L112-V161 VanDerWaalsContact CD1-O 3.31Å; L112-V161 WeakPolarHBondContact CD1-O 3.31Å; K157-V161 WeakPolarHBondContact O-CG1 3.42Å; K157-V161 WeakPolarHBondContact O-CG2 3.18Å; K157-V161 PolarHBondContact O-N 3.15Å; C158-V161 WeakPolarHBondContact O-CG2 3.16Å; L159-V161 PolarHBondContact O-N 2.92Å; V161-M163 HydrophobicContact CG2-CG 4.3Å
162G91.7Very high90Very high34 Ų3465 Ų6535%0.35131%0.308SS..THydrogen-bonded Turntrans106.926.4176.800000115.7C158 L159 I160 R164C158-G162 PolarHBondContact O-N 3.15Å; L159-G162 WeakPolarHBondContact O-CA 3.41Å; L159-G162 PolarHBondContact O-N 3.47Å; I160-G162 PolarHBondContact O-N 2.87Å; G162-R164 PolarHBondContact O-N 3.16Å
163M95.9Very high88Confident5 Ų568.9 Ų68.93%0.02533%0.331CS..  trans-67.3123.2170.1-64.8-169.67400110.2I100 Y110 L112 T114 F122 C158 V161I100-M163 HydrophobicContact CD1-CG 4.33Å; I100-M163 HydrophobicContact CD1-SD 3.69Å; I100-M163 HydrophobicContact CG1-SD 4.22Å; Y110-M163 HydrophobicContact CD2-CE 3.82Å; Y110-M163 HydrophobicContact CG-CE 4.41Å; Y110-M163 WeakPolarHBondContact O-CA 3.4Å; L112-M163 HydrophobicContact CD1-CG 3.89Å; T114-M163 HydrophobicContact CG2-CE 4.48Å; T114-M163 HydrophobicContact CG2-SD 4.32Å; F122-M163 HydrophobicContact CB-CE 3.66Å; F122-M163 HydrophobicContact CB-SD 4.24Å; F122-M163 HydrophobicContact CD1-CB 4.38Å; F122-M163 HydrophobicContact CD1-CE 3.98Å; F122-M163 HydrophobicContact CD2-CB 3.86Å; F122-M163 HydrophobicContact CD2-CE 4.28Å; F122-M163 HydrophobicContact CD2-SD 4.16Å; F122-M163 HydrophobicContact CE1-CB 4.11Å; F122-M163 HydrophobicContact CE2-CB 3.55Å; F122-M163 HydrophobicContact CG-CB 4.26Å; F122-M163 HydrophobicContact CG-CE 3.72Å; F122-M163 HydrophobicContact CG-SD 4.18Å; F122-M163 HydrophobicContact CZ-CB 3.69Å; F122-M163 VanDerWaalsContact CZ-O 3.3Å; F122-M163 WeakPolarHBondContact CZ-O 3.47Å; C158-M163 HydrophobicContact CB-CB 4.26Å; C158-M163 HydrophobicContact CB-CG 4.21Å; C158-M163 HydrophobicContact CB-SD 3.72Å; C158-M163 VanDerWaalsContact O-CB 3.3Å; C158-M163 WeakPolarHBondContact O-CB 2.94Å; C158-M163 WeakPolarHBondContact O-CG 3.39Å; C158-M163 PolarHBondContact O-N 2.87Å; V161-M163 HydrophobicContact CG2-CG 4.3Å
164R90.4Very high85.9Confident85 Ų8580.6 Ų80.632%0.32137%0.374SS..  trans-83.6112-170-73-177.9176.5-91.310112.3Y110 F122 G162 E166 A167Y110-R164 WeakPolarHBondContact O-CB 3.5Å; Y110-R164 PolarHBondContact O-N 3.22Å; F122-R164 WeakPolarHBondContact CE1-O 3.49Å; G162-R164 PolarHBondContact O-N 3.16Å; R164-E166 VanDerWaalsContact C-N 3.27Å; R164-E166 WeakPolarHBondContact CA-OE2 3.26Å; R164-E166 HydrophobicContact CB-CG 4.48Å; R164-E166 WeakPolarHBondContact CB-OE1 3.37Å; R164-E166 WeakPolarHBondContact CB-OE2 3.45Å; R164-E166 VanDerWaalsContact CD-OE1 3.25Å; R164-E166 WeakPolarHBondContact CD-OE1 3.44Å; R164-E166 VanDerWaalsContact CG-OE1 3.22Å; R164-E166 WeakPolarHBondContact CG-OE1 3.38Å; R164-E166 IonicContact CZ-OE1 3.77Å; R164-E166 IonicContact NE-OE1 2.76Å; R164-E166 IonicContact NH1-OE1 2.81Å; R164-E166 PolarHBondContact NH1-OE1 3.36Å; R164-E166 PolarHBondContact O-N 3.06Å; R164-A167 HydrophobicContact CB-CB 3.83Å; R164-A167 WeakPolarHBondContact O-CB 3.33Å; R164-A167 PolarHBondContact O-N 3.08Å; R164-A167 VanDerWaalsContact O-N 3.15Å
165V92.6Very high83.5Confident64 Ų6482.5 Ų82.539%0.38840%0.399SS..G310 helixtrans-61-40.4176.6179.90000110.2F122 V126 L159 A167 V168F122-V165 HydrophobicContact CZ-CG2 3.96Å; V126-V165 HydrophobicContact CG1-CG1 3.66Å; V126-V165 HydrophobicContact CG2-CG1 4.08Å; V126-V165 HydrophobicContact CG2-CG2 4.36Å; L159-V165 HydrophobicContact CD2-CG2 3.58Å; V165-A167 PolarHBondContact O-N 3.18Å; V165-V168 WeakPolarHBondContact O-CB 3.43Å; V165-V168 PolarHBondContact O-N 3.32Å
166E89.6Confident80.9Confident131 Ų13184.1 Ų84.161%0.61243%0.427SS*.G310 helixtrans-65.9-15.4177.874.7-78-169.700114.2R164 V168R164-E166 VanDerWaalsContact C-N 3.27Å; R164-E166 WeakPolarHBondContact CA-OE2 3.26Å; R164-E166 HydrophobicContact CB-CG 4.48Å; R164-E166 WeakPolarHBondContact CB-OE1 3.37Å; R164-E166 WeakPolarHBondContact CB-OE2 3.45Å; R164-E166 VanDerWaalsContact CD-OE1 3.25Å; R164-E166 WeakPolarHBondContact CD-OE1 3.44Å; R164-E166 VanDerWaalsContact CG-OE1 3.22Å; R164-E166 WeakPolarHBondContact CG-OE1 3.38Å; R164-E166 IonicContact CZ-OE1 3.77Å; R164-E166 IonicContact NE-OE1 2.76Å; R164-E166 IonicContact NH1-OE1 2.81Å; R164-E166 PolarHBondContact NH1-OE1 3.36Å; R164-E166 PolarHBondContact O-N 3.06Å; E166-V168 VanDerWaalsContact C-N 3.27Å
167A88.3Confident78.3Confident49 Ų4992.4 Ų92.441%0.40546%0.456SS..G310 helixtrans-83.2-2.817300000112.9Y110 R164 V165Y110-A167 HydrophobicContact CD1-CB 3.96Å; R164-A167 HydrophobicContact CB-CB 3.83Å; R164-A167 WeakPolarHBondContact O-CB 3.33Å; R164-A167 PolarHBondContact O-N 3.08Å; R164-A167 VanDerWaalsContact O-N 3.15Å; V165-A167 PolarHBondContact O-N 3.18Å
168V88.9Confident75.8Confident14 Ų1494.5 Ų94.59%0.08548%0.478CS..SBendtrans-97.9112173.7-174.20000109Y110 F122 K123 V126 Q127 V165 E166Y110-V168 HydrophobicContact CD1-CG2 3.63Å; Y110-V168 HydrophobicContact CE1-CB 4.42Å; Y110-V168 HydrophobicContact CE1-CG2 3.65Å; Y110-V168 HydrophobicContact CG-CG2 4.31Å; F122-V168 HydrophobicContact CD1-CG2 3.93Å; F122-V168 HydrophobicContact CE1-CG2 3.71Å; K123-V168 HydrophobicContact CG-CG1 4.36Å; V126-V168 HydrophobicContact CB-CB 4.15Å; V126-V168 HydrophobicContact CB-CG1 4.08Å; V126-V168 HydrophobicContact CB-CG2 4.01Å; V126-V168 HydrophobicContact CG1-CB 3.69Å; V126-V168 HydrophobicContact CG1-CG1 3.86Å; V126-V168 HydrophobicContact CG1-CG2 3.99Å; V126-V168 HydrophobicContact CG2-CG2 4.27Å; Q127-V168 HydrophobicContact CG-CG1 3.4Å; V165-V168 WeakPolarHBondContact O-CB 3.43Å; V165-V168 PolarHBondContact O-N 3.32Å; E166-V168 VanDerWaalsContact C-N 3.27Å
169R83Confident73Confident192 Ų192105.4 Ų105.473%0.72552%0.519SS*.  trans-67.7135.6171.5-73.2-177.3163.798.5-0.3110.4Q127Q127-R169 PolarHBondContact NE2-O 3.33Å
170E74.1Confident70Confident81 Ų81109.1 Ų109.138%0.37953%0.529SS..SBendtrans-65.4-43.3171.5-67.8-175.5120.100111.1K129 R172 Y219K129-E170 IonicContact NZ-OE1 3.61Å; K129-E170 PolarHBondContact NZ-OE1 3.46Å; E170-R172 PolarHBondContact O-N 2.87Å; E170-Y219 VanDerWaalsContact OE2-CE1 3.24Å; E170-Y219 WeakPolarHBondContact OE2-CE1 3.23Å
171D64.2Low67.2Low79 Ų79108.5 Ų108.542%0.42254%0.54SS..SBendtrans-66.6126.2-179.1-50.4-52.7000110.3M173 K221D171-M173 HydrophobicContact CB-CB 4.35Å; D171-M173 HydrophobicContact CB-CG 4.08Å; D171-M173 PolarHBondContact O-N 3.4Å; D171-M173 VanDerWaalsContact O-N 3.09Å; D171-K221 IonicContact OD1-NZ 3.48Å; D171-K221 PolarHBondContact OD1-NZ 3.43Å; D171-K221 IonicContact OD2-NZ 3.96Å; D171-K221 PolarHBondContact OD2-NZ 3.41Å
172R64.3Low64.4Low210 Ų210112.4 Ų112.479%0.79255%0.553SS**  trans-68.6-4.9179.4-65-179180172.81.3113.6E170 R174E170-R172 PolarHBondContact O-N 2.87Å; R172-R174 PolarHBondContact O-N 2.89Å
173M56.8Low61.8Low160 Ų160112.1 Ų112.179%0.78855%0.546SS*.  trans-41.4130.3174.8-70-67.2-179.700112.8D171 G175D171-M173 HydrophobicContact CB-CB 4.35Å; D171-M173 HydrophobicContact CB-CG 4.08Å; D171-M173 PolarHBondContact O-N 3.4Å; D171-M173 VanDerWaalsContact O-N 3.09Å; M173-G175 PolarHBondContact O-N 2.94Å
174R53.3Low58.8Low254 Ų254115.1 Ų115.196%0.95857%0.567SS**  trans-77.352.7-176-156.8178.2-168.91795112.1R172 G176R172-R174 PolarHBondContact O-N 2.89Å; R174-G176 PolarHBondContact O-N 3.35Å
175G47.8Very low56Low58 Ų58116.1 Ų116.160%0.59857%0.572SS**  trans-53129.6-173.900000113.1M173M173-G175 PolarHBondContact O-N 2.94Å
176G43Very low52.9Low73 Ų73118.2 Ų118.275%0.75359%0.588SS**  trans-60.5161-167.800000115.7R174 S178R174-G176 PolarHBondContact O-N 3.35Å; G176-S178 PolarHBondContact O-N 3.14Å; G176-S178 VanDerWaalsContact O-N 3.1Å
177R42.4Very low50.1Low239 Ų239116.2 Ų116.290%0.90259%0.585SS**  trans-45.1113.8-179-67.7175.8176.8146.8-2.7111.7R179R177-R179 PolarHBondContact O-N 2.8Å; R177-R179 VanDerWaalsContact O-N 3.1Å
178S43.6Very low47.5Very low106 Ų106117.4 Ų117.474%0.74159%0.587SS**  trans-64.9115169.1-164.80000109.3G176 R180G176-S178 PolarHBondContact O-N 3.14Å; G176-S178 VanDerWaalsContact O-N 3.1Å; S178-R180 PolarHBondContact OG-O 3.23Å
179R39.7Very low44.5Very low230 Ų230120.3 Ų120.387%0.86860%0.604SS**  trans-99.214.8174-90.7-170.9167.4-172.3-2.6112.9R177R177-R179 PolarHBondContact O-N 2.8Å; R177-R179 VanDerWaalsContact O-N 3.1Å
180R32.3Very low41.9Very low141 Ų141115.8 Ų115.853%0.53260%0.599SS.*SBendtrans-141.3139.6178.4-67.1-179.5177.9146-3.8109.6S178 M1407S178-R180 PolarHBondContact OG-O 3.23Å; R180-M1407 PolarHBondContact NH1-SD 3.4Å
181G36.1Very low39.6Very low59 Ų59115.9 Ų115.961%0.60861%0.606SS**  trans101.759.617000000116.7S183 E1659G181-S183 PolarHBondContact O-N 3.32Å; G181-E1659 PolarHBondContact N-OE1 2.93Å
182R34.1Very low37.9Very low96 Ų96119.4 Ų119.436%0.36263%0.625SS.*  trans-71.5112.5136.6-85.8-139.7-151.5160.29.8107.2E1654R182-E1654 WeakPolarHBondContact CB-O 3.35Å; R182-E1654 VanDerWaalsContact CD-O 3.3Å; R182-E1654 WeakPolarHBondContact CD-O 3.42Å; R182-E1654 HydrophobicContact CG-CB 4.28Å; R182-E1654 HydrophobicContact CG-CG 3.96Å; R182-E1654 WeakPolarHBondContact CG-OE2 3.43Å; R182-E1654 IonicContact CZ-OE1 3.7Å; R182-E1654 IonicContact CZ-OE2 2.67Å; R182-E1654 IonicContact NE-OE1 2.78Å; R182-E1654 IonicContact NE-OE2 2.79Å; R182-E1654 PolarHBondContact NE-OE2 3.49Å; R182-E1654 IonicContact NH2-OE1 3.91Å; R182-E1654 PolarHBondContact NH2-OE1 2.95Å; R182-E1654 IonicContact NH2-OE2 2.64Å; R182-E1654 PolarHBondContact NH2-OE2 3.45Å
183S37.4Very low36Very low28 Ų28113.9 Ų113.920%0.19662%0.619CS.*  trans-114.6121.2176.4179.80000109.1G181 Y185 F1386G181-S183 PolarHBondContact O-N 3.32Å; S183-Y185 PolarHBondContact O-N 3.13Å; S183-Y185 VanDerWaalsContact O-N 3.11Å; S183-Y185 WeakPolarHBondContact OG-CD2 3.39Å; S183-Y185 WeakPolarHBondContact OG-CE2 3.27Å; S183-Y185 VanDerWaalsContact OG-CZ 3.29Å; S183-F1386 WeakPolarHBondContact OG-CZ 3.22Å
184S32.1Very low34.7Very low68 Ų68110.6 Ų110.648%0.47661%0.611SS.*  trans-69.1101.5-179.4-63.50000111.2E1382S184-E1382 WeakPolarHBondContact CB-OE2 3.4Å; S184-E1382 PolarHBondContact OG-OE2 2.94Å
185Y32.9Very low33.4Very low106 Ų106106 Ų10642%0.41661%0.606SS.*  trans-129.355.2173.6-67.6-51000112.7S183 V187S183-Y185 PolarHBondContact O-N 3.13Å; S183-Y185 VanDerWaalsContact O-N 3.11Å; S183-Y185 WeakPolarHBondContact OG-CD2 3.39Å; S183-Y185 WeakPolarHBondContact OG-CE2 3.27Å; S183-Y185 VanDerWaalsContact OG-CZ 3.29Å; Y185-V187 PolarHBondContact O-N 3.48Å
186C27.6Very low32.4Very low108 Ų108106.4 Ų106.473%0.7360%0.599SS**  trans-86.770.4173.7-67.20000112.2
187V29.4Very low31.6Very low89 Ų89110.6 Ų110.654%0.53961%0.605SS.*  trans-132.974.8164.2-171.20000109.9Y185 T189Y185-V187 PolarHBondContact O-N 3.48Å; V187-T189 PolarHBondContact O-N 3.24Å; V187-T189 PolarHBondContact O-OG1 3.37Å
188V34.5Very low30.7Very low75 Ų75104.4 Ų104.446%0.45559%0.589SS.*  trans-60107.3164.3176.90000107.1T190V188-T190 PolarHBondContact O-N 3.4Å
189T25.7Very low29.9Very low74 Ų74106.3 Ų106.345%0.45459%0.591SS.*  trans-87.498.6178.9-49.90000107.2V187 P191 K1231V187-T189 PolarHBondContact O-N 3.24Å; V187-T189 PolarHBondContact O-OG1 3.37Å; T189-P191 WeakPolarHBondContact O-CD 3.16Å; T189-K1231 PolarHBondContact OG1-NZ 2.96Å
190T28.3Very low29.3Very low98 Ų9899 Ų9960%0.60158%0.575SS**  trans-60.8121.7-178.140.90000111V188 N192V188-T190 PolarHBondContact O-N 3.4Å; T190-N192 PolarHBondContact O-N 3.02Å
191P26Very low28.9Very low83 Ų8399.6 Ų99.654%0.53959%0.589SS.*  trans-82.971.2176.935-34.4000108.8I160 T189 S193I160-P191 HydrophobicContact CD1-CG 4.13Å; I160-P191 HydrophobicContact CG1-CG 4.15Å; I160-P191 HydrophobicContact CG2-CG 3.6Å; T189-P191 WeakPolarHBondContact O-CD 3.16Å; P191-S193 PolarHBondContact O-N 2.87Å
192N28.2Very low28.5Very low153 Ų153102 Ų10282%0.81860%0.596SS**  trans-70.184.3167-96.641.7000109T190T190-N192 PolarHBondContact O-N 3.02Å
193S25.3Very low28.4Very low94 Ų94107.5 Ų107.566%0.65762%0.623SS**  trans-48.1143159.5-176.90000110.1P191P191-S193 PolarHBondContact O-N 2.87Å
194S29.1Very low27.7Very low90 Ų90113.9 Ų113.963%0.62965%0.652SS**  trans52.494.6150.5-54.20000117.7S196S194-S196 VanDerWaalsContact CA-N 3.33Å
195N25.3Very low27.4Very low158 Ų158116 Ų11685%0.84566%0.657SS**  -93.769.9114.7-167.94.4000108.3
196S27.1Very low27.3Very low67 Ų67118.9 Ų118.947%0.46967%0.674SS.*  trans-89.9101172.7-160.60000106.9S194 N198S194-S196 VanDerWaalsContact CA-N 3.33Å; S196-N198 WeakPolarHBondContact CB-OD1 3.49Å; S196-N198 PolarHBondContact O-N 3.27Å; S196-N198 PolarHBondContact OG-OD1 2.59Å
197N25.8Very low27.3Very low161 Ų161120.2 Ų120.286%0.86168%0.679SS**  trans-72.279.4169-115.1-0.1000108.3N199N197-N199 PolarHBondContact O-N 3.14Å
198N24.6Very low27.1Very low109 Ų109125.2 Ų125.258%0.58369%0.694SS**  trans-73.1110.3174.8-73-2000109.6S196S196-N198 WeakPolarHBondContact CB-OD1 3.49Å; S196-N198 PolarHBondContact O-N 3.27Å; S196-N198 PolarHBondContact OG-OD1 2.59Å
199N27.1Very low26.7Very low145 Ų145129.9 Ų129.978%0.77571%0.71SS**  trans-149.690.1147.9-97.4-28000105.9N197N197-N199 PolarHBondContact O-N 3.14Å
200S25.7Very low26.8Very low76 Ų76133.3 Ų133.353%0.53173%0.725SS.*  cis70.7140.248.7-44.40000112.8
201N25Very low26.6Very low154 Ų154137.1 Ų137.182%0.82474%0.741SS**  trans74.1130.1178.3-53.5-19000115.1
202S28.3Very low26.6Very low109 Ų109138 Ų13876%0.76275%0.748SS**  cis-161.5127.1-7.151.60000113.2
203K30.3Very low26.6Very low213 Ų213136.1 Ų136.193%0.92675%0.747SS**  trans-155.787.6132.4-126.7176.7-176.4-179.90111.3
204M23.4Very low26.7Very low162 Ų162139.7 Ų139.780%0.79876%0.759SS**  trans-77.7129.9156.3-153.5162.871.400106.3
205D27Very low26.4Very low111 Ų111140.7 Ų140.759%0.59477%0.766SS**  176.4155.598.6-118.9-64.2000113.9
206H28.9Very low26.3Very low167 Ų167137.7 Ų137.777%0.77376%0.758SS**  trans66.2149.2166.8-65.516000117
207V29.3Very low26.4Very low136 Ų136141.4 Ų141.482%0.82478%0.777SS**  cis-128152.69.1-177.30000110.9
208K24.4Very low26.3Very low195 Ų195141.6 Ų141.685%0.84878%0.775SS**  trans-70.8123.7169.4-55.5169.1-178.9175.70111.9
209H26.7Very low26.1Very low173 Ų173144.9 Ų144.980%0.80178%0.78SS**  trans-164.8171.7141.6-130.4-104.8000112.4
210L27.8Very low26Very low145 Ų145143.3 Ų143.376%0.75978%0.781SS**  trans71.551.3177.4-53.1-178.9000116.7
211L23Very low25.8Very low179 Ų179145.1 Ų145.194%0.93778%0.779SS**  -103.695.9126.8-91.684.1000108.6
212S25.4Very low25.8Very low100 Ų100142.7 Ų142.770%0.69977%0.774SS**  trans-172.2152.8160-84.30000109.5
213S29Very low25.5Very low114 Ų114143.1 Ų143.180%0.79777%0.772SS**SBendtrans62.464.5170.6-53.50000116.7
214N28Very low25.2Very low170 Ų170139.7 Ų139.791%0.90976%0.763SS**  -158.9102.4111.5-97.4-11.6000110.4
215S22.5Very low25.1Very low110 Ų110137.2 Ų137.277%0.76976%0.762SS**  trans-100.3-179.3169.8-167.90000110
216S23.8Very low24.9Very low96 Ų96140.2 Ų140.267%0.67177%0.773SS**  trans68.990.9165.2-53.60000117.4
217V27.4Very low24.8Very low144 Ų144140.2 Ų140.287%0.87378%0.778SS**  -152.691.1104.3174.10000105.6
218M25.3Very low24.5Very low165 Ų165143.8 Ų143.881%0.81378%0.778SS**  52.5131.186.6-87-61.5-177.200116
219Y19.4Very low24.4Very low179 Ų179138.8 Ų138.870%0.70277%0.767SS**  trans-127.3109.3-176.4-144.8-95.2000107.5E170E170-Y219 VanDerWaalsContact OE2-CE1 3.24Å; E170-Y219 WeakPolarHBondContact OE2-CE1 3.23Å
220S24.3Very low24.3Very low112 Ų112135.7 Ų135.778%0.78377%0.765SS**  trans-147.4136178.153.50000111.4
221K23.3Very low24.2Very low113 Ų113135.9 Ų135.949%0.49177%0.765SS.*  trans-84.7176.5167.8-60.5165.7-168.4164.70107.1D171D171-K221 IonicContact OD1-NZ 3.48Å; D171-K221 PolarHBondContact OD1-NZ 3.43Å; D171-K221 IonicContact OD2-NZ 3.96Å; D171-K221 PolarHBondContact OD2-NZ 3.41Å
222S23.6Very low24.3Very low104 Ų104133.3 Ų133.373%0.72776%0.757SS**  cis-160.8177.726.1-36.40000113.2
223V22.7Very low24.8Very low117 Ų117133.8 Ų133.871%0.70976%0.758SS**  trans-29164.7154.4-64.40000117
224D23.2Very low24.9Very low141 Ų141133.9 Ų133.975%0.75476%0.756SS**  cis-170.7157.3-17.2-93.5-24.2000106.8
225S23.2Very low25Very low111 Ų111130.2 Ų130.278%0.77674%0.741SS**  trans162141.9133.7-74.40000115.2
226E22.7Very low25.1Very low174 Ų174132.3 Ų132.381%0.81374%0.743SS**  trans31.5123.6145.9-52.3-168.4161.300121.9
227L25.7Very low25.2Very low167 Ų167131.2 Ų131.287%0.87474%0.735SS**  -155.6-174.584.6-142.392000112
228Y22.7Very low25.3Very low211 Ų211131.6 Ų131.683%0.82773%0.727SS**  trans-119170.6-163.6-141-103.1000112.4
229S23.5Very low25.3Very low89 Ų89129.5 Ų129.562%0.62272%0.724SS**  trans66.2108155.638.90000122.1
230S23.7Very low25.5Very low108 Ų108125.1 Ų125.176%0.75572%0.72SS**  89.5146108.6-620000123.7
231I26.3Very low25.6Very low149 Ų149126.1 Ų126.176%0.76472%0.721SS**  trans82.279.2144.9-71159.9000119.2
232T25.2Very low25.6Very low125 Ų125125 Ų12577%0.76773%0.727SS**  66.9155.5126.736.70000124.1
233P35.4Very low25.7Very low110 Ų110126.3 Ų126.371%0.71473%0.731SS**  trans-89.3-163.5-179.244.7-41.3000110.6
234P30.6Very low26Very low116 Ų116128.2 Ų128.275%0.75374%0.736SS**  cis-142.4-121.224.331.5-0.3000118.7
235P31.4Very low26.1Very low93 Ų93128.4 Ų128.460%0.60474%0.737SS**  -141.5-165.9-106.647-29000117.3
236L24.9Very low26.5Very low155 Ų155127.8 Ų127.881%0.81273%0.728SS**  trans70.6157.8154.7-66.7171.5000117
237S25.2Very low26.9Very low72 Ų72125.8 Ų125.850%0.50372%0.723SS.*  cis-168.1-138.6-26.363.20000110.9
238H28.6Very low27.1Very low153 Ų153123.6 Ų123.671%0.70871%0.712SS**  trans86.3108.7164.4-50.3-61.9000115.4
239T25.9Very low27.5Very low121 Ų121118.5 Ų118.574%0.74270%0.703SS**  101.3152.573.954.80000110.5
240S23.2Very low27.6Very low87 Ų87123 Ų12361%0.60871%0.714SS**  cis-171.4169.9-16.5-950000108.6
241T26.7Very low27.9Very low132 Ų132120.7 Ų120.781%0.8170%0.696SS**  trans63.2154.4152.243.50000119.4
242S22.8Very low27.8Very low89 Ų89116 Ų11662%0.62268%0.677SS**  cis-172.3164.8-2952.70000109.8
243T25.3Very low27.7Very low133 Ų133115.5 Ų115.582%0.81667%0.669SS**  trans67.1152.6178.478.70000113.3
244I29.4Very low27.3Very low157 Ų157113.1 Ų113.181%0.80566%0.655SS**  cis-139.315413.5-67.8175.9000107.3
245N26.9Very low27.3Very low144 Ų144109.2 Ų109.277%0.7764%0.637SS**  cis-179.1-175.2-25.8-171.813.3000107.1
246V30.7Very low27Very low99 Ų99109.6 Ų109.660%0.663%0.632SS**  trans75.791.1161-166.60000118.2
247N30.6Very low27.1Very low131 Ų131106.5 Ų106.570%0.70162%0.617SS**  trans72143.8135.8-58.6-1.2000121
248N30.3Very low27.3Very low121 Ų121106.4 Ų106.465%0.64761%0.613SS**  cis-163.5142.8-16.5-111-14.5000113.2
249T30.6Very low27.2Very low105 Ų105100.6 Ų100.664%0.64459%0.59SS**  trans34.9121138.967.60000119.5
250H26.3Very low27.4Very low183 Ų18398.9 Ų98.985%0.84758%0.576SS**  cis51158.448.8-101.9-50000114.2
251P29Very low27.6Very low59 Ų59101 Ų10138%0.38358%0.581SS.*  cis-147.1179.1-835.6-11.8000117.9
252S23.9Very low27.7Very low52 Ų52100.4 Ų100.436%0.36457%0.571SS.*  trans75-169.2133.660.90000124S406 L407S252-S406 CarbonylContact O-C 3.58Å; S252-S406 VanDerWaalsContact O-CA 3.24Å; S252-S406 WeakPolarHBondContact O-CA 3.15Å; S252-L407 PolarHBondContact O-N 3.42Å; S252-L407 WeakPolarHBondContact OG-CB 3.38Å; S252-L407 WeakPolarHBondContact OG-CD1 3.27Å
253N24.4Very low27.8Very low113 Ų113101.6 Ų101.660%0.60458%0.575SS**  trans-127.3141.3-141.346.4-97.1000120.5S406 L407N253-S406 VanDerWaalsContact CA-CA 3.47Å; N253-L407 WeakPolarHBondContact O-CD2 3.3Å; N253-L407 WeakPolarHBondContact O-CG 3.49Å
254S26.9Very low27.8Very low60 Ų60101.6 Ų101.642%0.4258%0.575SS.*  trans-168144.8152.733.90000114.9T405 S406S254-T405 CarbonylContact O-C 3.6Å; S254-T405 VanDerWaalsContact O-CA 3.25Å; S254-T405 WeakPolarHBondContact O-CA 3.44Å; S254-T405 PolarHBondContact O-N 2.8Å; S254-S406 VanDerWaalsContact N-CA 3.34Å; S254-S406 PolarHBondContact N-O 2.83Å; S254-S406 VanDerWaalsContact N-O 3.12Å; S254-S406 PolarHBondContact O-N 2.86Å; S254-S406 PolarHBondContact OG-O 3.34Å
255G30Very low27.6Very low35 Ų3599 Ų9936%0.36157%0.571SS.*  trans13115.8142.800000120.8Q404G255-Q404 WeakPolarHBondContact O-CB 3.4Å
256I26.5Very low27.6Very low100 Ų10098.9 Ų98.951%0.51358%0.575SS.*  12.4125129.9-68.2161.7000114.6Y402I256-Y402 HydrophobicContact CG2-CE1 4.44Å
257D26.4Very low27.5Very low90 Ų9099.3 Ų99.348%0.48158%0.58SS.*  179.1-173.380.4-130-22.2000110
258T29.2Very low27.1Very low71 Ų71103.6 Ų103.644%0.43659%0.588SS.*  cis-147.5161.6-5.116.40000103.6P400 I401 Y402T258-P400 WeakPolarHBondContact O-CB 3.28Å; T258-I401 CarbonylContact O-C 2.8Å; T258-I401 WeakPolarHBondContact O-CA 3.38Å; T258-I401 PolarHBondContact O-N 3.39Å; T258-Y402 PolarHBondContact O-N 3.43Å
259S27.2Very low26.8Very low30 Ų30103.9 Ų103.921%0.2159%0.589CS.*  cis-172.7-168.5-16.659.10000106.4P400 I401S259-P400 CarbonylContact O-C 3.49Å; S259-P400 WeakPolarHBondContact O-CG 3.24Å; S259-P400 WeakPolarHBondContact OG-CG 3.31Å; S259-I401 WeakPolarHBondContact O-CG1 3.38Å
260N28.7Very low26.5Very low85 Ų85106.5 Ų106.546%0.45559%0.592SS.*  trans70.4124.1168.7-51.411.3000116.6P400 I401N260-P400 HydrophobicContact CB-CG 4.1Å; N260-I401 WeakPolarHBondContact O-CD1 3.42Å; N260-I401 WeakPolarHBondContact O-CG1 3.48Å
261N28Very low26.4Very low132 Ų132103.9 Ų103.971%0.70658%0.584SS**  cis-153.9148.516.5-114.52.4000114.7
262I28.2Very low26.2Very low120 Ų120111.4 Ų111.462%0.61561%0.606SS**  trans74.585.1142.7-60.2170.2000120.1
263T24.5Very low26.1Very low113 Ų113113.7 Ų113.769%0.69362%0.621SS**  55.4148.3126.362.80000125.9
264T25.5Very low26.1Very low133 Ų133115.5 Ų115.582%0.81663%0.629SS**  trans72.7141.6160.856.10000119.2
265S26.6Very low26Very low103 Ų103122.2 Ų122.272%0.7265%0.646SS**  cis-166145.4-12.244.30000114.3
266V25.8Very low25.8Very low141 Ų141131.1 Ų131.186%0.85567%0.668SS**  trans69.1148.6149.3172.70000120.2
267P28.6Very low25.8Very low109 Ų109131.4 Ų131.471%0.70868%0.679SS**  trans-125.1177.8-166.342.4-25.7000117.5
268Y21.7Very low26.1Very low220 Ų220132.1 Ų132.186%0.86369%0.688SS**  trans16.4113.7157.3-77.9-86.5000122.8
269D23.9Very low25.8Very low128 Ų128132.7 Ų132.768%0.68469%0.688SS**  48.9139.1117.5-146.927.8000123.7
270K25.3Very low25.8Very low159 Ų159138.4 Ų138.469%0.69172%0.715SS**  trans83.5110.4158-78171.4-172.9173.50124.9
271D24.8Very low25.7Very low129 Ų129139 Ų13969%0.6972%0.722SS**  111.4121.8114.6-78-31.3000123.3
272Y24.3Very low25.8Very low216 Ų216138.3 Ų138.385%0.84772%0.724SS**  trans76.8169151.2-92.4-96.7000122.9
273C22.5Very low25.7Very low101 Ų101137.2 Ų137.268%0.68273%0.727SS**  trans-128.5176.2-140.7-54.10000115.4
274I23.1Very low25.9Very low150 Ų150139 Ų13977%0.76973%0.732SS**  trans131.7125.7152.8-70.4158.4000108.4
275R25.8Very low25.7Very low202 Ų202138 Ų13876%0.76273%0.729SS**  -165144.752.1-147158.2-133.3-1354.2113.4
276R25.6Very low25.7Very low222 Ų222138.8 Ų138.884%0.83873%0.729SS**  trans52136.6152.4-70.5173.9-178-174-2.3122.5
277S26.2Very low25.7Very low106 Ų106137.8 Ų137.874%0.74172%0.723SS**  trans-108.8173.9159.1-40.70000109
278P32.3Very low25.8Very low104 Ų104137.6 Ų137.668%0.67572%0.724SS**  -155.915573.439.3-18000119.7
279I23.4Very low26.2Very low83 Ų83135.3 Ų135.343%0.42672%0.719SS.*  trans47.4123.1140.7-51.8163.2000121L1570 L1574I279-L1570 HydrophobicContact CD1-CD2 4.28Å; I279-L1570 HydrophobicContact CD1-CG 4.29Å; I279-L1574 HydrophobicContact CG1-CD1 4.34Å
280I27.5Very low26.5Very low150 Ų150134.9 Ų134.977%0.76972%0.721SS**  -169.4156.6120.2-99.4167.8000109.2
281V25.7Very low26.7Very low99 Ų99134.2 Ų134.260%0.672%0.723SS**  trans-127130.1171.5172.50000108.9L1560V281-L1560 HydrophobicContact CB-CD1 4.04Å; V281-L1560 HydrophobicContact CG1-CD1 4.02Å; V281-L1560 HydrophobicContact CG2-CD1 3.99Å
282P31Very low26.8Very low117 Ų117132.1 Ų132.176%0.7672%0.718SS**  -138.4170.4129.138.2-26.7000113.4
283S26.9Very low27Very low97 Ų97129.7 Ų129.768%0.67871%0.714SS**  trans-97.1166.1175.854.20000112.8
284L27.2Very low27.2Very low151 Ų151132 Ų13279%0.79172%0.716SS**  trans81117.8178.6-69.480.2000116.8
285C22.7Very low27.6Very low111 Ų111130.4 Ų130.475%0.7571%0.708SS**  31.3140.4113.6-59.40000119.6
286T26.2Very low27.7Very low119 Ų119128.6 Ų128.673%0.7371%0.713SS**  cis-174.4159.28140000111.4
287V25.8Very low27.8Very low121 Ų121122.3 Ų122.373%0.73371%0.708SS**  trans45.7131.1139.8175.50000120.9
288S30.2Very low28.2Very low104 Ų104123.2 Ų123.273%0.72771%0.711SS**  trans-171.1156.7136.9-87.90000111.6
289K30.4Very low27.8Very low172 Ų172123.9 Ų123.975%0.74872%0.718SS**  cis-166168.7-27.5-115.6173-176.6176.40105.8
290T30Very low27.9Very low120 Ų120125.1 Ų125.174%0.73673%0.733SS**  166.4159.386.142.20000106.7
291I28.8Very low27.8Very low144 Ų144125.3 Ų125.374%0.73874%0.735SS**  cis-166.4143.1-7-101.4166.4000103
292C28.3Very low27.9Very low86 Ų86124.7 Ų124.758%0.58174%0.735SS**  -167.4151.261.9-130.70000110.8
293E28.5Very low27.7Very low164 Ų164126.4 Ų126.477%0.76674%0.737SS**  trans41.9142.7130.6-76.3157.3-162.100123
294E26.7Very low27.8Very low151 Ų151126.7 Ų126.771%0.70674%0.735SS**  cis-165.5170.2-7.1-147.5-177.4-152.100112.1
295N29.8Very low27.9Very low115 Ų115128.1 Ų128.162%0.61573%0.731SS**  trans79115.7153.2-66.1-44.4000124.5
296L29.2Very low28.2Very low165 Ų165127.8 Ų127.886%0.86473%0.73SS**  trans69.7157.4136-86.867.7000122.6
297A26.9Very low28.4Very low89 Ų89128 Ų12874%0.73673%0.726SS**  trans-136.9-171.2-177.700000108.7
298P35.1Very low29.2Very low125 Ų125126.6 Ų126.681%0.81272%0.719SS**  cis-132.6-161.6-4.339.2-17.8000114.4
299C23.1Very low29.3Very low119 Ų119130 Ų13080%0.80472%0.723SS**  trans-69.4146-166.8-43.70000117.7
300S26.2Very low29.3Very low108 Ų108127.4 Ų127.476%0.75572%0.722SS**  159.9151.2101.7560000117
301L26.1Very low29.3Very low155 Ų155127.3 Ų127.381%0.81272%0.721SS**  trans71.8109.7154.4-71162.7000124.1
302S25.9Very low29.4Very low86 Ų86125.9 Ų125.960%0.60172%0.719SS**  80.3118.8123-67.50000125.6
303L27.9Very low29.4Very low152 Ų152127.3 Ų127.380%0.79673%0.725SS**  54.3150.5123.7-7977.4000120.4
304T27.8Very low29.4Very low103 Ų103124.5 Ų124.563%0.63272%0.723SS**  cis-168.4-171.710.66.10000112.5
305Y29.5Very low29.5Very low182 Ų182123.1 Ų123.171%0.71473%0.725SS**  trans107.8139.5152.2-76.6-88.3000117.7I307Y305-I307 HydrophobicContact CD1-CB 4.41Å; Y305-I307 HydrophobicContact CD1-CG2 3.85Å; Y305-I307 HydrophobicContact CE1-CD1 4.12Å; Y305-I307 HydrophobicContact CE1-CG2 3.9Å
306S29.4Very low29.2Very low103 Ų103126 Ų12672%0.7274%0.735SS**  cis-135.7164.37.9-52.90000111.7
307I31.9Very low29.1Very low125 Ų125123.6 Ų123.664%0.64173%0.727SS**  cis80.2148.815.7-103.7175.9000115.4Y305Y305-I307 HydrophobicContact CD1-CB 4.41Å; Y305-I307 HydrophobicContact CD1-CG2 3.85Å; Y305-I307 HydrophobicContact CE1-CD1 4.12Å; Y305-I307 HydrophobicContact CE1-CG2 3.9Å
308P42.5Very low29Very low91 Ų91125.4 Ų125.459%0.59173%0.728SS**  cis-146.6170.2-17.244.2-26.6000118.6
309Q31.2Very low28.5Very low175 Ų175125.7 Ų125.782%0.81873%0.728SS**  trans55.1179.2132.9-69.6-178.8-12.800120.8
310V30.8Very low28.9Very low118 Ų118126.1 Ų126.172%0.71573%0.726SS**  cis-148.3138.230.4177.90000108.2
311T30.9Very low28.7Very low118 Ų118126.5 Ų126.572%0.72473%0.729SS**  -138.4-11369.954.40000117
312T31Very low28.7Very low113 Ų113124.6 Ų124.669%0.69373%0.726SS**  trans-152.8-171.2-144.353.90000111
313T28.3Very low28.6Very low117 Ų117125 Ų12572%0.71873%0.729SS**  cis-167.4168.427.7-24.10000112.1
314C27.3Very low28.4Very low105 Ų105126.3 Ų126.371%0.70973%0.731SS**  trans63.584.2167.6-580000116.2
315T29.8Very low28.2Very low122 Ų122125.3 Ų125.375%0.74873%0.728SS**  61116.678.369.90000114.5
316E23.4Very low28.1Very low176 Ų176122 Ų12282%0.82273%0.731SS**  cis73.413948.7-65.1-162.4173.600114.7
317T25.4Very low27.8Very low114 Ų114123.9 Ų123.970%0.69973%0.733SS**  cis-154.11571.86.60000113
318V26.5Very low27.6Very low126 Ų126124.8 Ų124.876%0.76474%0.738SS**  trans30.4126.9153.4-175.30000121.3
319T23.3Very low26.9Very low131 Ų131129.6 Ų129.680%0.80475%0.746SS**  176168126.329.20000113.3
320V31.7Very low26.4Very low128 Ų128128.5 Ų128.578%0.77674%0.741SS**  trans68.7121.9164.2-168.20000119
321S22.1Very low26.3Very low116 Ų116129 Ų12981%0.81175%0.749SS**  trans-89145.6157.6-45.80000110.7
322P26Very low26.3Very low116 Ų116126.7 Ų126.775%0.75375%0.749SS**  -133.6165.6123.438.1-30.3000114.4
323S24.7Very low26.1Very low95 Ų95129.3 Ų129.366%0.66476%0.758SS**  trans-45.1153.3172.954.80000117.2
324H23.1Very low25.9Very low178 Ų178133.6 Ų133.682%0.82477%0.767SS**  26.4143.2127.6-61.7-94.2000119.8
325S23.2Very low25.9Very low83 Ų83135.4 Ų135.458%0.5877%0.77SS**  cis177148.4-2.947.70000109.8
326S27.6Very low25.8Very low112 Ų112133.7 Ų133.778%0.78376%0.761SS**  trans-179.1104.5139.6-81.80000108.2
327L24.1Very low26Very low143 Ų143128.1 Ų128.175%0.74974%0.736SS**  89.7154.258.4-76.6168.7000113
328L25.9Very low25.9Very low144 Ų144132 Ų13275%0.75474%0.74SS**  trans91.7120.8168.1-54.6-177.1000117.6
329Y28Very low25.7Very low192 Ų192129 Ų12975%0.75372%0.724SS**  trans53114.6147.5-70.6-105.3000118.2
330E22.3Very low25.8Very low152 Ų152128.4 Ų128.471%0.7171%0.712SS**  62.175.379-168.8179.6-117.300112.8
331S27.4Very low25.5Very low127 Ų127127.7 Ų127.789%0.88870%0.704SS**  trans175.8154.2141.941.60000111.2
332G31Very low25.6Very low71 Ų71128.3 Ų128.373%0.73270%0.697SS**  trans11266.1162.400000119
333L27.3Very low25.4Very low167 Ų167131.4 Ų131.487%0.87470%0.699SS**  trans54.580.6143.5-64.9159000119.1
334F24.3Very low25.4Very low208 Ų208131.5 Ų131.591%0.91269%0.692SS**  trans-164120.3147.1-112.7-70.4000112.9
335N27.2Very low25.5Very low142 Ų142131.5 Ų131.576%0.75970%0.697SS**  trans58.2154.7172.5-111.9-21000116.7N337N335-N337 PolarHBondContact OD1-N 2.97Å
336P26.8Very low25.6Very low87 Ų87135.6 Ų135.657%0.56571%0.705SS**  cis-137.1147.842.740.3-23000117.7
337N27.6Very low25.6Very low58 Ų58135.8 Ų135.831%0.3170%0.703SS.*  175.6161.1116.1-86.1-15.3000111.3N335 I1192 L1193 S1268N335-N337 PolarHBondContact OD1-N 2.97Å; N337-I1192 VanDerWaalsContact C-CG2 3.43Å; N337-I1192 WeakPolarHBondContact O-CG2 3.47Å; N337-L1193 HydrophobicContact CB-CB 3.79Å; N337-L1193 HydrophobicContact CB-CD2 3.58Å; N337-L1193 HydrophobicContact CB-CG 4.37Å; N337-L1193 VanDerWaalsContact OD1-CD2 3.28Å; N337-L1193 WeakPolarHBondContact OD1-CD2 3.39Å; N337-S1268 PolarHBondContact OD1-OG 3.44Å
338Y23.6Very low25.8Very low197 Ų197135.3 Ų135.377%0.77371%0.706SS**  trans-132.5146.6-166.9-168.1-107.9000117.7I1192 L1193Y338-I1192 WeakPolarHBondContact O-CG2 3.33Å; Y338-L1193 WeakPolarHBondContact O-CA 3.12Å; Y338-L1193 WeakPolarHBondContact O-CB 3.36Å; Y338-L1193 WeakPolarHBondContact O-CD1 3.28Å
339S23.2Very low25.6Very low61 Ų61133.1 Ų133.143%0.42770%0.702SS.*  trans71.4137.8-178-158.50000121.1I1192 L1193S339-I1192 VanDerWaalsContact C-CG1 3.5Å; S339-I1192 WeakPolarHBondContact O-CG1 3.49Å; S339-I1192 WeakPolarHBondContact O-CG2 3.4Å; S339-L1193 PolarHBondContact O-N 2.97Å; S339-L1193 VanDerWaalsContact O-N 3.15Å
340Q24.9Very low25.5Very low119 Ų119129.2 Ų129.256%0.55670%0.703SS**  trans101.888.4-175.1-72.8-141.422.100121.2I1192Q340-I1192 VanDerWaalsContact C-CD1 3.44Å; Q340-I1192 HydrophobicContact CB-CG1 4.29Å; Q340-I1192 WeakPolarHBondContact O-CD1 3.33Å; Q340-I1192 WeakPolarHBondContact O-CG1 3.41Å
341N24.1Very low25.6Very low114 Ų114128.2 Ų128.261%0.6171%0.707SS**  trans92.5110.2133.5-72-44.7000122.9
342I24.4Very low25.5Very low129 Ų129130.9 Ų130.966%0.66271%0.706SS**  trans76.698.4140.1-55164.6000117.4
343F23.2Very low25.3Very low180 Ų180135.5 Ų135.579%0.78971%0.708SS**  -174.2159.3122.3-92.8-56.4000107.6
344N23.4Very low25.2Very low97 Ų97135 Ų13552%0.51970%0.703SS.*  cis-155.6136.87.9-135-49.6000110.2
345L26.6Very low25.3Very low178 Ų178131.6 Ų131.693%0.93269%0.694SS**  trans-142.6110.3145.4-102.7178.9000109.6
346K24.1Very low25.5Very low170 Ų170131.1 Ų131.174%0.73970%0.697SS**  trans-72.7172.2174.4-79.4179.6179.4179.40110.9
347P28.6Very low25.5Very low116 Ų116134.6 Ų134.675%0.75371%0.706SS**  cis-123-169.312.928.8-3.6000111.7
348V27Very low25.7Very low132 Ų132138.4 Ų138.480%0.873%0.726SS**  cis-150.3140.733.3170.40000111.3
349S22.8Very low26.1Very low98 Ų98136 Ų13669%0.68573%0.726SS**  trans-81.2147.4162.7530000109.8
350S25Very low26.4Very low110 Ų110141 Ų14177%0.76974%0.743SS**  -167.2161.359.9-50.80000111.2
351V24.2Very low26.7Very low131 Ų131142.1 Ų142.179%0.79475%0.752SS**  trans-83.2130.6160.2169.50000108.5
352E25.7Very low26.7Very low184 Ų184141.3 Ų141.386%0.8676%0.755SS**  trans-89.1138.9160.7-149.5165.6-155.600107.5
353E27.2Very low26.9Very low167 Ų167142 Ų14278%0.7877%0.766SS**  trans59.593.2-178.9-51.3-164.5132.500115.6
354M25.9Very low27Very low157 Ų157138 Ų13877%0.77376%0.76SS**  59.6104.472.4-71.1-165.7-79.100117.6
355N24.9Very low27.2Very low136 Ų136139 Ų13973%0.72777%0.774SS**  64.296.6125.9-51.5-12.4000120
356T32.3Very low27.2Very low132 Ų132136.4 Ų136.481%0.8177%0.771SS**  -173.5109110.320.20000107.2
357E27.6Very low27.2Very low161 Ų161133.4 Ų133.475%0.75277%0.771SS**  64.4123.181.6-72.9-161.3155.400114.9
358N30.9Very low27.5Very low138 Ų138133.3 Ų133.374%0.73877%0.774SS**  trans75.4138.5167.6-44-44.6000115.9
359D30.9Very low27.7Very low145 Ų145130.9 Ų130.978%0.77576%0.762SS**  cis-150.8175.83.3-137.1-36.2000113.8
360H31.1Very low28.1Very low166 Ų166128.4 Ų128.477%0.76975%0.745SS**  trans-79.8153.8-168.8-92.4-92.6000117
361L30.1Very low28.4Very low144 Ų144127.4 Ų127.475%0.75474%0.738SS**  trans65.997.4154.8-96.169.5000119.6
362S25.7Very low28.5Very low97 Ų97128.4 Ų128.468%0.67874%0.738SS**  trans50.1109.4130.462.10000120.1
363T27.2Very low28.7Very low144 Ų144124.6 Ų124.688%0.88373%0.731SS**  -159.8166.810310.70000113.6
364S26.2Very low29Very low95 Ų95125.9 Ų125.966%0.66473%0.734SS**  trans-60.9160.8-173.153.70000117.5
365S27.3Very low28.8Very low117 Ų117127 Ų12782%0.81874%0.738SS**  trans64.7136.514260.30000120.4
366S26Very low28.7Very low124 Ų124125.1 Ų125.187%0.86774%0.735SS**  trans-120.7141153.255.90000109
367S25.2Very low28.4Very low107 Ų107124.2 Ų124.275%0.74873%0.726SS**  trans-113143.9165.8480000108.1
368S34.9Very low28.3Very low115 Ų115123.9 Ų123.980%0.80472%0.718SS**  trans-77.8142.5150.842.10000107.6
369S29.7Very low28.1Very low80 Ų80124 Ų12456%0.55971%0.714SS**  cis-56.5128.5949.10000116.1
370S33Very low27.9Very low46 Ų46123.9 Ų123.932%0.32271%0.714SS.*  76.6140.550.679.10000113.8Y378S370-Y378 PolarHBondContact OG-O 3.15Å
371S30.8Very low27.7Very low90 Ų90123.9 Ų123.963%0.62972%0.72SS**  cis-159.8162.8-15.6-105.70000110.6
372I25.3Very low27.4Very low151 Ų151121.7 Ų121.777%0.77472%0.716SS**SBendtrans38.9101.6150.6-59.2169.5000117.4
373S31Very low27.4Very low104 Ų104128.6 Ų128.673%0.72773%0.728SS**SBendtrans51.5112.6156.766.10000119.4
374K33.7Very low27.7Very low194 Ų194126.7 Ų126.784%0.84372%0.718SS**SBendtrans6678.9170.6-55.7179.7-178.7176.70115.7
375Q21Very low27.6Very low181 Ų181129 Ų12985%0.84672%0.722SS**SBendtrans70.5134.3161.5-52.8167.8-90.200116.2
376S22.2Very low27.4Very low97 Ų97127.6 Ų127.668%0.67871%0.712SS**  trans64.6135.4154.561.60000121.7
377N26.3Very low27.4Very low113 Ų113131.8 Ų131.860%0.60471%0.711SS**  trans81.6123.8138.4-72.6-4.4000122.5
378Y26.5Very low27.4Very low154 Ų154132.7 Ų132.760%0.60471%0.707SS**  trans64.8161.8142.4-61.7-47.7000117.6S370S370-Y378 PolarHBondContact OG-O 3.15Å
379Q26.3Very low27.1Very low140 Ų140134 Ų13465%0.65470%0.704SS**  cis-148.9179.1-12-131.2162-16.300110.7
380N25.4Very low27.1Very low143 Ų143134.3 Ų134.377%0.76571%0.706SS**  trans-13147.5163.6-51-11.6000119.1
381D27.4Very low26.9Very low166 Ų166137 Ų13789%0.88872%0.724SS**  trans-142.4154153.4-142.5-27.5000111.8
382S25.3Very low26.9Very low98 Ų98138.1 Ų138.169%0.68573%0.728SS**  trans-161.9110.7-165.560.80000117.3
383R25Very low27.1Very low242 Ų242137.5 Ų137.591%0.91373%0.726SS**  trans59.7-176170.4-54.9179.8163.8179.8-5.3113.2
384P32.9Very low27.1Very low104 Ų104138.6 Ų138.668%0.67573%0.734SS**  cis-127.4-178.8-18.439-22.5000114.5
385N23.6Very low26.8Very low143 Ų143135 Ų13577%0.76573%0.731SS**  trans54.3109.7140.9-72.28.1000123.4
386S24.6Very low27.1Very low87 Ų87131.7 Ų131.761%0.60873%0.728SS**  95.2143.7106.377.70000121.8
387Y24.9Very low27.4Very low212 Ų212132.2 Ų132.283%0.83173%0.732SS**  trans63.6146155.9-64.4-53.7000118.2
388N25.1Very low27.5Very low127 Ų127132 Ų13268%0.67974%0.74SS**  cis-168.3-179.7-20-162.3-5.9000106.9
389I29.3Very low27.6Very low142 Ų142129.7 Ų129.773%0.72875%0.746SS**  trans70.1134.1155.6-65.9158.1000116.1
390S29.6Very low28.3Very low86 Ų86125.7 Ų125.760%0.60173%0.732SS**  cis-173.8144.9-15.154.90000112
391S29.4Very low28.6Very low102 Ų102124.9 Ų124.971%0.71373%0.726SS**  trans64.5161.8138.474.50000120.4
392V30.1Very low28.7Very low115 Ų115122.9 Ų122.970%0.69771%0.707SS**  cis-145.6156-1.6-129.30000110.9
393N29.2Very low28.8Very low138 Ų138124.8 Ų124.874%0.73871%0.705SS**  trans52.8108.1146.8-62-9.7000121.6
394S30.6Very low29Very low127 Ų127119.7 Ų119.789%0.88869%0.692SS**  -155.2155.1120.2-77.10000108.8
395C27.2Very low28.9Very low118 Ų118119.8 Ų119.880%0.79769%0.69SS**  trans-107.8165.1-160.3-60.50000115.6
396S27.7Very low29.1Very low111 Ų111117 Ų11778%0.77668%0.682SS**  trans105.1113149.6-50.60000119.6
397S28.6Very low29.3Very low108 Ų108117 Ų11776%0.75568%0.675SS**  trans63.9113.6140.457.20000123.3
398S28.9Very low29.4Very low110 Ų110113.2 Ų113.277%0.76966%0.663SS**  109.1130.4125.276.60000122
399S29.2Very low29.9Very low105 Ų105111.6 Ų111.673%0.73466%0.659SS**  trans91.6141.9147.2-57.10000122.1
400P41.2Very low29.8Very low56 Ų56111.9 Ų111.936%0.36466%0.661SS.*  trans-147.7-178.1-150.435.9-8.3000117.8T258 S259 N260T258-P400 WeakPolarHBondContact O-CB 3.28Å; S259-P400 CarbonylContact O-C 3.49Å; S259-P400 WeakPolarHBondContact O-CG 3.24Å; S259-P400 WeakPolarHBondContact OG-CG 3.31Å; N260-P400 HydrophobicContact CB-CG 4.1Å
401I31.6Very low29.6Very low126 Ų126114 Ų11465%0.64667%0.665SS**  trans-177.2141.3148.1-99-176.1000113.3T258 S259 N260T258-I401 CarbonylContact O-C 2.8Å; T258-I401 WeakPolarHBondContact O-CA 3.38Å; T258-I401 PolarHBondContact O-N 3.39Å; S259-I401 WeakPolarHBondContact O-CG1 3.38Å; N260-I401 WeakPolarHBondContact O-CD1 3.42Å; N260-I401 WeakPolarHBondContact O-CG1 3.48Å
402Y28.7Very low29.7Very low123 Ų123118.4 Ų118.448%0.48267%0.674SS.*  trans-29.3172175.2-75.4-85.2000122.4I256 T258I256-Y402 HydrophobicContact CG2-CE1 4.44Å; T258-Y402 PolarHBondContact O-N 3.43Å
403H28.6Very low29.8Very low139 Ų139118.3 Ų118.364%0.64468%0.679SS**  cis-163.3163.718.6-132.6-66.7000112.4
404Q27.7Very low29.6Very low135 Ų135118.8 Ų118.863%0.63168%0.681SS**  trans-151.4-172.3173.7-123.8-174.252.300117.8G255G255-Q404 WeakPolarHBondContact O-CB 3.4Å
405T30.7Very low29.7Very low105 Ų105120.2 Ų120.264%0.64468%0.677SS**  trans-142.6142.2-14457.20000120.9S254S254-T405 CarbonylContact O-C 3.6Å; S254-T405 VanDerWaalsContact O-CA 3.25Å; S254-T405 WeakPolarHBondContact O-CA 3.44Å; S254-T405 PolarHBondContact O-N 2.8Å
406S28.5Very low29.9Very low84 Ų84121.8 Ų121.859%0.58768%0.677SS**  trans68.2140.9162.9-58.40000122.9S252 N253 S254S252-S406 CarbonylContact O-C 3.58Å; S252-S406 VanDerWaalsContact O-CA 3.24Å; S252-S406 WeakPolarHBondContact O-CA 3.15Å; N253-S406 VanDerWaalsContact CA-CA 3.47Å; S254-S406 VanDerWaalsContact N-CA 3.34Å; S254-S406 PolarHBondContact N-O 2.83Å; S254-S406 VanDerWaalsContact N-O 3.12Å; S254-S406 PolarHBondContact O-N 2.86Å; S254-S406 PolarHBondContact OG-O 3.34Å
407L29.3Very low30.1Very low89 Ų89124.7 Ų124.747%0.46668%0.681SS.*  trans-97175.8-161.1-119.9-161.1000118.7S252 N253S252-L407 PolarHBondContact O-N 3.42Å; S252-L407 WeakPolarHBondContact OG-CB 3.38Å; S252-L407 WeakPolarHBondContact OG-CD1 3.27Å; N253-L407 WeakPolarHBondContact O-CD2 3.3Å; N253-L407 WeakPolarHBondContact O-CG 3.49Å
408K26.8Very low30.4Very low132 Ų132125.3 Ų125.357%0.57468%0.682SS**  trans99151.1142.9-95.8-164.6174.7-172.20118
409P35.4Very low30.5Very low93 Ų93123.4 Ų123.460%0.60468%0.68SS**  -147.6-169-57.740.9-20000114.9
410I27.8Very low30.5Very low148 Ų148124.2 Ų124.276%0.75969%0.686SS**  trans70143.7157.5-63.5168.3000116.9
411D24.8Very low30Very low131 Ų131126 Ų12670%0.70170%0.699SS**  cis-168.8-176.6-31.8-96.9-39.7000109.4
412H30.3Very low29.8Very low193 Ų193126.3 Ų126.389%0.89471%0.708SS**  trans96.2139.5-176.7-54.9-54.9000114
413S32.4Very low29.8Very low114 Ų114126.2 Ų126.280%0.79772%0.72SS**  cis-139.7167.512.257.20000114.2
414N26.3Very low29.9Very low148 Ų148126.7 Ų126.779%0.79173%0.725SS**  trans-80.3175176.9-64.9-41.9000113.9
415I32.1Very low30Very low156 Ų156125.8 Ų125.880%0.873%0.732SS**  trans78.5108.5167.3-50.1162.8000112.1
416D31.1Very low29.9Very low151 Ų151125.8 Ų125.881%0.80774%0.737SS**  -152.4179.876.1-131.4-39.3000115.4
417M31.7Very low29.8Very low172 Ų172128.9 Ų128.985%0.84775%0.746SS**  trans-81.7150-169.4-68.8-108.481.700116
418P35.8Very low29.6Very low121 Ų121130.3 Ų130.379%0.78676%0.759SS**  trans-103.7155.3-166.239.2-36.5000116.8
419G30.6Very low29.6Very low71 Ų71129.3 Ų129.373%0.73276%0.764SS**  trans174.2135.3161.700000113.2
420S30.1Very low29.2Very low121 Ų121131.1 Ų131.185%0.84677%0.773SS**  trans70.8130.5-176-163.50000114.8
421S29.4Very low29.9Very low93 Ų93129 Ų12965%0.6577%0.769SS**  cis-158.7159.3-7.4-93.10000112.4
422T27.8Very low30Very low133 Ų133131.5 Ų131.582%0.81677%0.774SS**  trans66.7130.715143.20000123.2
423V29.6Very low29.8Very low121 Ų121128.5 Ų128.573%0.73376%0.763SS**  trans93.1107.8137.1165.10000121.1
424I30.6Very low29.5Very low150 Ų150128.4 Ų128.477%0.76976%0.758SS**  trans62.4130.5141-63.3178.8000119
425C29.1Very low29.5Very low115 Ų115127.1 Ų127.178%0.77776%0.756SS**  cis-156.3167.7-14.5-109.30000109.9
426S27.6Very low29.3Very low105 Ų105126.2 Ų126.273%0.73475%0.753SS**  trans-141.3128.7-163.2-56.10000111.8
427L27.3Very low29.3Very low149 Ų149123.6 Ų123.678%0.7875%0.746SS**  73.9123.692.6-68.5164000116.6
428T25.1Very low29.3Very low120 Ų120122.8 Ų122.874%0.73674%0.744SS**  trans67.2158.8140.2590000118.9
429T27.7Very low28.9Very low110 Ų110122.6 Ų122.668%0.67574%0.737SS**  cis-164.9143.21.54.70000113
430T27.1Very low28.8Very low131 Ų131126.1 Ų126.180%0.80474%0.738SS**  trans57.1162.3146.748.90000123.7
431P40.6Very low28.7Very low105 Ų105125.4 Ų125.468%0.68273%0.728SS**  trans-123.7175.9-169.631.6-10.2000116
432F27.1Very low28.5Very low183 Ų183126.4 Ų126.480%0.80374%0.735SS**  trans160.9138.9134.6-102.8-123.6000116.1
433I27.3Very low28.5Very low130 Ų130124.7 Ų124.767%0.66772%0.724SS**  trans60.2112.5140-67.8-170.9000125
434T24.8Very low28.3Very low112 Ų112127.9 Ų127.969%0.68773%0.729SS**  trans34.3131.2135.477.30000127.4
435T26.4Very low28.1Very low120 Ų120125.1 Ų125.174%0.73672%0.723SS**  75.7139.5129.351.80000124.9
436D28.2Very low27.8Very low138 Ų138124.1 Ų124.174%0.73872%0.717SS**  trans78.488.8147.9-63.33.3000122.9
437S31.6Very low28Very low95 Ų95125.1 Ų125.166%0.66472%0.718SS**  74.8107.8113.7-60.90000122.1
438L31.1Very low27.9Very low155 Ų155124.2 Ų124.281%0.81271%0.714SS**  58.6135.8123.4-61.5173.1000120.8
439D28Very low28.2Very low117 Ų117125.6 Ų125.663%0.62672%0.717SS**  cis-171161.9-17.1-149.3-7.9000110.8
440L28Very low28.2Very low145 Ų145125.6 Ų125.676%0.75972%0.717SS**  trans61.2161.9159-58163.7000116.9
441V27.7Very low28.1Very low106 Ų106124.5 Ų124.564%0.64271%0.71SS**  cis-150.7119.3-10.9109.40000106.8V443V441-V443 HydrophobicContact CG1-CG2 4.44Å
442S25.3Very low27.6Very low115 Ų115125.8 Ų125.880%0.80471%0.711SS**  85.4-162.484.7-1650000113.1
443V27.7Very low27.7Very low96 Ų96122.4 Ų122.458%0.58271%0.711SS**  trans85.281.6172.1-169.30000116.9V441V441-V443 HydrophobicContact CG1-CG2 4.44Å
444K26.9Very low27.5Very low189 Ų189122.4 Ų122.482%0.82271%0.711SS**  79.3154.1118.3-72.8-174.6-163.5167.50119.6
445S24.8Very low27.7Very low92 Ų92124.2 Ų124.264%0.64371%0.713SS**  cis-177.4161-17.853.80000111.2
446S24.7Very low27.6Very low94 Ų94125 Ų12566%0.65771%0.713SS**  trans70.5134.5145-153.50000117.3
447V31.2Very low27.7Very low126 Ų126125 Ų12576%0.76471%0.711SS**  -169.1136.589.71560000110.7
448N24.4Very low27.4Very low129 Ų129124.7 Ų124.769%0.6971%0.714SS**  trans-24.7144.4165.9-41.6-29.4000117.9
449N31.3Very low27.3Very low150 Ų150122.1 Ų122.180%0.80271%0.709SS**  -174.6144.3125.6-86.9-18.2000107.2
450T29.1Very low27.5Very low109 Ų109120.6 Ų120.667%0.66971%0.708SS**  cis-158.1133.2-9.67.40000107.7
451T24.3Very low27.4Very low109 Ų109119.5 Ų119.567%0.66971%0.713SS**  trans36.9164.3131.560.60000123.1
452D29Very low27.6Very low131 Ų131120.2 Ų120.270%0.70172%0.717SS**  trans72.4116.5172.1-48.7-27.1000114.6
453S30Very low27.7Very low113 Ų113117.8 Ų117.879%0.7971%0.71SS**  cis-137.8144.58.2-66.80000109.2
454I23.5Very low27.5Very low130 Ų130121.5 Ų121.567%0.66773%0.726SS**  cis63.477.130.7-45.2-178.4000113.7
455M29.2Very low27.3Very low150 Ų150116.5 Ų116.574%0.73972%0.715SS**  -166.2130.6125.5-90-69.8-130.800105.6I457M455-I457 HydrophobicContact CE-CD1 4.38Å
456N23.7Very low27.5Very low137 Ų137117.5 Ų117.573%0.73372%0.717SS**  62.9152.956.1-81.8-22.8000114.7
457I30.8Very low27.7Very low136 Ų136119.8 Ų119.870%0.69772%0.722SS**  trans7291.1-173.6-47171.6000109.9M455M455-I457 HydrophobicContact CE-CD1 4.38Å
458A24.1Very low27.5Very low89 Ų89118.4 Ų118.474%0.73671%0.714SS**  cis67.3165.842.400000113.9
459S29.3Very low27.7Very low101 Ų101122.3 Ų122.371%0.70672%0.72SS**  trans75102.9-167.3-230000111.5
460S31.5Very low27.8Very low85 Ų85121 Ų12159%0.59472%0.718SS**  91.9116.981.365.80000111.2
461S27.2Very low27.9Very low123 Ų123120.3 Ų120.386%0.8672%0.718SS**  cis7126.242.995.40000115.6
462T31.4Very low28.1Very low121 Ų121123.5 Ų123.574%0.74273%0.727SS**  trans-149.4124.5154.545.30000106.8
463G26.9Very low28.1Very low63 Ų63123.4 Ų123.465%0.64973%0.731SS**  cis105.5136.8800000111.1
464L24.6Very low28.1Very low175 Ų175123.7 Ų123.792%0.91672%0.724SS**  trans65.8147.5-179-58.6141.7000113.7
465S22.6Very low28.3Very low84 Ų84124.1 Ų124.159%0.58773%0.727SS**  cis-174.4-159.3-14.650.30000106.3
466T28Very low28.6Very low113 Ų113122.4 Ų122.469%0.69373%0.727SS**  trans61.8123.9160.546.70000115.9
467D28.5Very low29.1Very low141 Ų141125 Ų12575%0.75473%0.732SS**  cis-154.8168.315.3-91.4-42.1000110.5
468T28.5Very low28.9Very low97 Ų97126 Ų12660%0.59574%0.738SS**  cis-175.3170.6-29.8-92.50000106.4
469Y28.2Very low29.2Very low211 Ų211129.8 Ų129.883%0.82775%0.747SS**  trans75.4130.2-172.7-61.9-93.6000114.3
470T32.7Very low29.2Very low122 Ų122129.6 Ų129.675%0.74875%0.745SS**  cis-164157.9-12.58.70000106.7
471S31.8Very low28.9Very low96 Ų96129.8 Ų129.867%0.67174%0.739SS**  cis-155.9158.1-2.753.60000110.7
472M27.6Very low28.9Very low175 Ų175130.8 Ų130.886%0.86274%0.74SS**  trans-0.9129.2136.6-44.9167.4-168.900114.4
473V30.6Very low28.6Very low129 Ų129129.9 Ų129.978%0.78274%0.737SS**  -165.1144.758.8153.30000106.6
474N28.8Very low28.6Very low119 Ų119134.8 Ų134.864%0.63674%0.743SS**  cis-151.4165.9-0.3-114.923.5000107
475L27.9Very low28.8Very low140 Ų140130.6 Ų130.673%0.73373%0.729SS**  cis80.1142.627.4-59.9169.2000116.3
476P36.5Very low29.2Very low113 Ų113132.9 Ų132.973%0.73473%0.73SS**  cis-141.4-162.1-44.940.1-22.2000112.2
477F33.6Very low29.4Very low192 Ų192132.6 Ų132.684%0.84273%0.732SS**  trans-103.5149.8168.4-89.2-95.8000113
478N27.1Very low29.6Very low156 Ų156132.5 Ų132.583%0.83473%0.727SS**  trans67.8119.8164.2-67.6-5.9000120.7
479D30.8Very low29.4Very low170 Ų170134.7 Ų134.791%0.90973%0.734SS**  trans-145.4163.4141.3-142-18.2000107.2
480S28.6Very low29.7Very low97 Ų97129.4 Ų129.468%0.67873%0.725SS**  trans-151.7152.8-172.8-147.40000118
481L25Very low29.3Very low88 Ų88129.3 Ų129.346%0.46173%0.725SS.*  trans59.682.2172.6-62.8165.8000114.4
482V26.3Very low28.8Very low145 Ų145129.9 Ų129.988%0.87973%0.729SS**SBend-136.2132.369.3174.20000110.3
483C26.7Very low28.6Very low102 Ų102127.9 Ų127.969%0.68972%0.722SS**SBendcis-161174.6-9.6-115.70000107.7
484Q26.6Very low28.2Very low166 Ų166128.7 Ų128.778%0.77672%0.719SS**SBendcis-135.7145.26.1177.5177.6-6.100108.4
485S28.9Very low27.9Very low87 Ų87127.9 Ų127.961%0.60872%0.723SS**  trans70.6126.2-171.9-10.90000113
486H30.6Very low28Very low132 Ų132126.2 Ų126.261%0.61172%0.723SS**  64.7134.350-52.1-55.9000112.3
487S33Very low27.4Very low106 Ų106126.8 Ų126.874%0.74173%0.729SS**  cis-139.8137.714.734.80000110.1
488H31.3Very low27.2Very low140 Ų140120.9 Ų120.965%0.64872%0.722SS**  57.914380.7-80.8-110.5000115
489L25Very low27.3Very low143 Ų143122.6 Ų122.675%0.74972%0.723SS**  cis-173.4172.3-25.2-133.472.2000105.4
490P34Very low27.2Very low99 Ų99120.4 Ų120.464%0.64371%0.71SS**  trans-104.7-163.1-176.642.5-34.1000112.9
491T23.7Very low27.2Very low120 Ų120121.9 Ų121.974%0.73671%0.71SS**  trans66.8153.1157.654.80000119.7
492S22.9Very low27.4Very low108 Ų108123.7 Ų123.776%0.75572%0.719SS**  trans71.8157.8165.893.60000114.3
493N22.3Very low27.4Very low133 Ų133121.9 Ų121.971%0.71171%0.709SS**  cis-157.4167.6-16.2-129-13.9000110.4
494M22.7Very low27.6Very low147 Ų147123.9 Ų123.972%0.72471%0.708SS**  trans43.4132.5145.1-64.4176.566.900121.9
495S23.1Very low27.7Very low102 Ų102123.7 Ų123.771%0.71371%0.705SS**  trans76.7164.2133.674.10000121
496S30.3Very low27.5Very low105 Ų105126.7 Ų126.773%0.73471%0.712SS**  trans55109.2-172.948.40000114.3
497S23Very low27.7Very low125 Ų125125.5 Ų125.587%0.87472%0.716SS**  cis71.2101.226.697.50000115.5
498G29.9Very low27.3Very low67 Ų67124.6 Ų124.669%0.69171%0.71SS**  trans139.6120176.700000110.8
499F28.4Very low26.9Very low192 Ų192123.9 Ų123.984%0.84272%0.716SS**  cis-154.7141.12.2-125.5-96.8000109.9
500I29.6Very low26.9Very low124 Ų124122.6 Ų122.664%0.63671%0.714SS**  trans53.6100.9151.6-77.6-177.6000116.3
501D27.6Very low26.5Very low128 Ų128123.4 Ų123.468%0.68472%0.717SS**  104.9164.889.7-83.6-6.2000110.3
502L28.5Very low26.5Very low126 Ų126123.2 Ų123.266%0.6672%0.716SS**  cis-157.2130.6-11.9-112.5161.3000106.9
503T28.3Very low26.6Very low108 Ų108123.3 Ų123.366%0.66371%0.712SS**  trans62.3176.415063.50000117.4
504Q29.5Very low26.7Very low144 Ų144122.7 Ų122.767%0.67371%0.713SS**  cis-153.3160.9-27.8-119.217465.600111.6
505K28.2Very low27Very low161 Ų161121.6 Ų121.670%0.772%0.715SS**  trans29.2133.3130.6-97.2167165.8-178.70119.1
506I24.6Very low27.4Very low150 Ų150121.9 Ų121.977%0.76971%0.713SS**  cis59.7121.744.9-46.2164.1000113.5
507P36.5Very low27.4Very low107 Ų107123.6 Ų123.670%0.69571%0.714SS**  cis-136.8-158.5-29.838.3-16.7000111.9
508S23.5Very low27.9Very low88 Ų88122.9 Ų122.962%0.61570%0.704SS**  trans61.8120.8143.866.40000123
509T24.3Very low27.9Very low124 Ų124125 Ų12576%0.76170%0.704SS**  trans75.3154.4132.953.40000123.1
510T24Very low28Very low117 Ų117122.1 Ų122.172%0.71870%0.702SS**  trans79.4102.5153.636.10000121
511T25Very low28Very low115 Ų115120 Ų12071%0.70670%0.703SS**  77.5116.8124.554.90000122.5
512T24.4Very low28Very low116 Ų116119 Ų11971%0.71271%0.706SS**  81.5120.6126.157.80000122.3
513T24.9Very low27.9Very low110 Ų110118.7 Ų118.768%0.67571%0.71SS**  trans79.3106.513055.30000121.7
514T24.2Very low27.8Very low120 Ų120121 Ų12174%0.73672%0.718SS**  79.3161126.462.80000120.2
515T28.8Very low27.8Very low124 Ų124124 Ų12476%0.76173%0.728SS**  trans73.6129.5178.972.10000114.6
516T32.4Very low27.8Very low108 Ų108121.3 Ų121.366%0.66373%0.73SS**  cis-162143-5.88.30000110.8
517N30.4Very low27.9Very low141 Ų141122.4 Ų122.475%0.75473%0.734SS**  trans66.6149.7142.5-61-6.3000118.5
518T32.5Very low27.5Very low111 Ų111121.3 Ų121.368%0.68173%0.728SS**  cis-158133.86.4-0.40000112.8
519T31Very low27.7Very low110 Ų110124.9 Ų124.968%0.67574%0.74SS**  trans57.4121.4138.356.50000124.2
520T29.3Very low27.8Very low132 Ų132122.9 Ų122.981%0.8173%0.731SS**  64.6150.5129.361.80000121.7
521A29.3Very low28.2Very low79 Ų79121.9 Ų121.965%0.65373%0.729SS**  cis-174.1166-19.500000109.3
522S27.2Very low28.3Very low107 Ų107121.9 Ų121.975%0.74873%0.733SS**  trans42.4136.6148.958.70000121.3
523T27.9Very low28.7Very low121 Ų121121.5 Ų121.574%0.74274%0.735SS**  cis-173.61597.213.90000110.2
524L25.6Very low28.9Very low157 Ų157120.8 Ų120.882%0.82274%0.74SS**  trans54.8104.6152.7-66.2167.4000120.6
525K29.3Very low29.2Very low206 Ų206119.7 Ų119.790%0.89674%0.738SS**  -175.4159.4129.2-110.7167.3-177.3172.20116.5
526S28.8Very low29.3Very low105 Ų105120.5 Ų120.573%0.73474%0.737SS**  trans56.4106.3153.4550000121.3
527M25.7Very low29.2Very low173 Ų173122.5 Ų122.585%0.85274%0.743SS**  25.8120.3123.2-69.1-176.172.100120.3
528S28.1Very low29.2Very low83 Ų83120 Ų12058%0.5874%0.736SS**  43.3130.6129.171.90000121.6
529L27.8Very low29.1Very low164 Ų164120.6 Ų120.686%0.85974%0.743SS**  trans64.4144.6149-61.5164.8000117.1
530S26.9Very low29.2Very low81 Ų81120.1 Ų120.157%0.56674%0.744SS**  cis-175.1-176-21.950.10000106.4
531S31.6Very low29.5Very low97 Ų97120.6 Ų120.668%0.67875%0.747SS**  trans29109.5143.962.30000118.9
532S28.8Very low29.6Very low115 Ų115119.9 Ų119.980%0.80475%0.748SS**  trans-139.3113.3151.5-71.80000108.5
533S32.8Very low29.6Very low108 Ų108122.7 Ų122.776%0.75575%0.751SS**  cis86.2131.534.886.60000114.8
534A28.1Very low29.6Very low94 Ų94127.6 Ų127.678%0.77776%0.756SS**SBendtrans-133131.4150.800000104.6
535S31.4Very low29.7Very low97 Ų97125 Ų12568%0.67875%0.751SS**SBendcis-162.6154.111.2-82.60000109.5
536L30.5Very low29.7Very low142 Ų142119.8 Ų119.874%0.74374%0.741SS**  cis-163.9140.6-10.3-91.8162.2000109
537L31.1Very low29.6Very low150 Ų150122 Ų12279%0.78574%0.744SS**  trans56.6153151.5-8178.2000122.5
538S29.7Very low30.3Very low87 Ų87118 Ų11861%0.60873%0.731SS**  cis-178.9138.6-26.852.60000114.2
539C30.7Very low30.1Very low124 Ų124120.5 Ų120.584%0.83874%0.738SS**  trans54.4154.4144.7-61.40000121.7
540S33.1Very low29.9Very low100 Ų100121.2 Ų121.270%0.69974%0.735SS**  cis178.3167.8-12-86.50000106.7
541T35Very low29.8Very low142 Ų142122.1 Ų122.187%0.87174%0.736SS**  cis-169.1176.9-3.520.20000106.2
542G31Very low29.3Very low64 Ų64123.9 Ų123.966%0.6674%0.738SS**  cis160.6-166.15.300000111.1
543M28.4Very low29Very low167 Ų167125.3 Ų125.382%0.82374%0.736SS**  trans88.7121.5173.1-52.6-139.975.300121.1
544R27Very low28.6Very low223 Ų223125.1 Ų125.184%0.84274%0.735SS**  trans31.8146.5142.8-61.3-178.8176.6-157.3-3.6121.6
545S27.2Very low28.4Very low104 Ų104125 Ų12573%0.72772%0.721SS**  cis-175-165.4-14.257.90000107.4
546S29.8Very low28.2Very low96 Ų96122.8 Ų122.867%0.67171%0.705SS**  cis-172.2162.42.219.50000110.8
547N27.9Very low28.4Very low150 Ų150121.9 Ų121.980%0.80270%0.701SS**  trans8.9162.6148.2-73.252.8000123.6
548P38.7Very low28.4Very low90 Ų90118.8 Ų118.858%0.58469%0.69SS**  cis-149.6-170.7-31.944.6-25.9000116.2
549D24.5Very low28.3Very low136 Ų136122.6 Ų122.673%0.72770%0.696SS**  trans63.4152.4150.4-54.2-26.6000120.7
550F23.7Very low28.1Very low179 Ų179127.6 Ų127.679%0.78570%0.697SS**  cis-160145-5.4-136.4-125.9000111.6
551V24.2Very low27.6Very low100 Ų100129.8 Ų129.861%0.60670%0.7SS**  trans57.3136141.2172.30000124.7
552D22.2Very low27.2Very low134 Ų134133.6 Ų133.672%0.71770%0.699SS**  trans54.7161.4155.1-65.2-6.3000123.7
553L23.1Very low26.9Very low144 Ų144136.1 Ų136.175%0.75470%0.697SS**  cis-160166.4-26.8-109.9169.5000109.8
554S22.3Very low26.7Very low104 Ų104132.6 Ų132.673%0.72769%0.687SS**  trans56.4171.9165.691.30000117.9
555N25.3Very low26.6Very low92 Ų92128.9 Ų128.949%0.49268%0.678SS.*  cis-146.8-167.1-29.7-127.1-10.4000110.5D1079N555-D1079 PolarHBondContact ND2-OD2 3.14Å
556S27.4Very low26.4Very low50 Ų50127.7 Ų127.735%0.3567%0.666SS.*  trans88.7130.7165.894.10000121.3D1721S556-D1721 PolarHBondContact OG-OD2 3.44Å
557D35.2Very low26.2Very low123 Ų123129.8 Ų129.866%0.65867%0.67SS**  trans-142.7133.6-179.2158.23.1000108.7K559D557-K559 PolarHBondContact OD1-N 2.95Å; D557-K559 VanDerWaalsContact OD1-N 3.09Å
558P30.2Very low26.3Very low86 Ų86130.3 Ų130.356%0.55867%0.671SS**  trans-142.8108.3148.131.9-12.6000118.3
559K27.5Very low25.7Very low166 Ų166133.2 Ų133.272%0.72268%0.681SS**  71.1123.2118.3-62.4152-166.9148.30121D557D557-K559 PolarHBondContact OD1-N 2.95Å; D557-K559 VanDerWaalsContact OD1-N 3.09Å
560R25.4Very low25.8Very low230 Ų230131.6 Ų131.687%0.86868%0.68SS**  trans74136.7148.4-63.7175.7176.1-164.20.5116.8
561L24Very low25.9Very low146 Ų146129.4 Ų129.476%0.76468%0.682SS**  cis-155.8-164.35.7-110.7166000107.6
562R27Very low26.1Very low221 Ų221130.4 Ų130.483%0.83468%0.683SS**  cis-142.5-100.218.3-157.9173.7-177149.20.4115.1
563L24.2Very low26.6Very low118 Ų118131.2 Ų131.262%0.61868%0.68SS**  trans-161.2158.2-164.1-95.3169.4000112.8
564C22.9Very low27Very low93 Ų93126.5 Ų126.563%0.62866%0.662SS**  trans72.3149.5161-64.10000118.6
565F25.2Very low27.3Very low145 Ų145127.3 Ų127.364%0.63666%0.663SS**  cis-152.5143.8-3.6-121.7-48.6000112V1672F565-V1672 HydrophobicContact CE1-CG1 3.92Å
566T24.5Very low27.5Very low79 Ų79127.3 Ų127.349%0.48568%0.675SS.*  trans29.8129.6152.943.60000123.7V1672T566-V1672 HydrophobicContact CG2-CG2 4.23Å
567D25.4Very low27.6Very low140 Ų140128.9 Ų128.975%0.74969%0.692SS**  trans66.5126.7131.5-53.1-10.8000122.6
568I30.3Very low27.5Very low160 Ų160130.2 Ų130.282%0.82170%0.699SS**  -157.3141.6119.4-99.8153.5000109
569N25.6Very low27.5Very low152 Ų152129.9 Ų129.981%0.81370%0.699SS**  trans-85.3143.6179.4-99.4-38.8000113.1
570S26.6Very low27.6Very low101 Ų101127.7 Ų127.771%0.70670%0.699SS**  trans56.3127.1148.365.40000121.1
571T26.5Very low27.8Very low133 Ų133122 Ų12282%0.81669%0.69SS**  -177178.6129.226.20000106
572I28.3Very low28Very low122 Ų122120.6 Ų120.663%0.62669%0.688SS**  cis-148.2148.816.3-19.3172.7000106.2
573F31.3Very low28.1Very low150 Ų150115.3 Ų115.366%0.65868%0.68SS**  165.4151.288.5-101.3-56.6000109.2
574A31.4Very low28.2Very low45 Ų45115.5 Ų115.537%0.37269%0.686SS.*  cis-152.8154.17.800000114F1851A574-F1851 VanDerWaalsContact O-CZ 3.28Å; A574-F1851 WeakPolarHBondContact O-CZ 3.39Å
575T28.9Very low28.5Very low121 Ų121117.9 Ų117.974%0.74269%0.692SS**  trans27.9140.8141.758.90000121.6
576A29.1Very low28.7Very low92 Ų92116.6 Ų116.676%0.7670%0.695SS**  cis-120.1-151.812.900000111.3
577A30.6Very low29.1Very low84 Ų84117.7 Ų117.769%0.69470%0.704SS**  cis-157.3176.6-1.800000108.4
578N32.4Very low29.2Very low150 Ų150116.9 Ų116.980%0.80271%0.705SS**  cis-155.7-170.7-7-152-6.2000111
579S29.9Very low29.1Very low80 Ų80115.9 Ų115.956%0.55971%0.706SS**  trans-43.7150157.3550000114.6
580T30.6Very low29Very low120 Ų120112.6 Ų112.674%0.73670%0.7SS**  cis-177.9158.58.520.60000108.4
581T29.8Very low29Very low110 Ų110115.9 Ų115.968%0.67570%0.704SS**  cis-175169.4-21.224.90000108.9
582T28.4Very low28.9Very low117 Ų117114.9 Ų114.972%0.71870%0.697SS**  trans65140.3147.7490000120.8
583T28.5Very low28.6Very low110 Ų110115.8 Ų115.868%0.67570%0.703SS**  cis-171.6139.6-8.217.50000113
584T26.3Very low28.4Very low121 Ų121115.9 Ų115.974%0.74271%0.709SS**  trans59.7158.2149.258.30000119.4
585I29.2Very low28.1Very low144 Ų144117 Ų11774%0.73871%0.714SS**  cis-152.4114.136.4-69.5173.5000107.3
586T28.4Very low28.1Very low117 Ų117114.3 Ų114.372%0.71870%0.698SS**  54.9151.290.857.20000118.8
587P34.2Very low28Very low103 Ų103114.2 Ų114.267%0.66969%0.69SS**  cis-147.4-169.5-27.141.3-21000116.6
588T26.5Very low27.9Very low123 Ų123116.3 Ų116.376%0.75569%0.69SS**  trans67145.8155.551.90000120.2
589T28.3Very low27.9Very low138 Ų138116.5 Ų116.585%0.84769%0.686SS**  cis-155.9172.4-1.83.70000112.1
590A24.5Very low27.8Very low83 Ų83118.6 Ų118.669%0.68670%0.696SS**  trans-77.4175-179.200000114.4
591H25.5Very low27.6Very low170 Ų170122.8 Ų122.879%0.78770%0.698SS**  cis-157.1147.335.8-111.7-94.8000113.2
592V23.8Very low27.4Very low113 Ų113124.8 Ų124.869%0.68570%0.699SS**  46.2133.9123.51770000119.5
593D23.2Very low27.3Very low141 Ų141125.4 Ų125.475%0.75470%0.698SS**  cis-163172.248.4-139.2-27000117.4
594I26.4Very low27.3Very low152 Ų152126.1 Ų126.178%0.77970%0.697SS**  trans78.9165.6158.5-75.4168.5000121.1
595S26Very low27.4Very low68 Ų68126.6 Ų126.648%0.47670%0.695SS.*  trans-160.8-169.6-161.967.40000117.5
596V29.5Very low27.2Very low65 Ų65128.1 Ų128.139%0.39469%0.693SS.*  trans84.5126.2166.7165.80000120.6L1806 S1807V596-L1806 VanDerWaalsContact C-CD1 3.42Å; V596-L1806 WeakPolarHBondContact O-CD1 3.45Å; V596-L1806 WeakPolarHBondContact O-CG 3.4Å; V596-S1807 WeakPolarHBondContact O-CA 3.48Å; V596-S1807 PolarHBondContact O-N 2.68Å
597C26.6Very low27Very low89 Ų89130.2 Ų130.260%0.60170%0.695SS**  cis-172-176.1-10.3-169.50000110.8
598N29Very low26.7Very low129 Ų129133.7 Ų133.769%0.6970%0.702SS**  trans74.5147.3164.5-86.544000119.9
599E30.7Very low26.6Very low153 Ų153137 Ų13772%0.71571%0.706SS**  cis-161.6148.5-12.9-145.8-176-176.700113.3
600T28.6Very low26.6Very low125 Ų125135.6 Ų135.677%0.76770%0.702SS**  trans61.8158.3168.774.60000117.9
601R26Very low26.6Very low207 Ų207137.1 Ų137.178%0.78171%0.708SS**  cis-147.11464.3-148.9-177.1-179.4168.75.4110.9
602Q26.6Very low26.7Very low152 Ų152140.4 Ų140.471%0.7172%0.715SS**  trans11.7142.1145-59.9174.9-29.100119.4
603L26Very low26.6Very low131 Ų131142.5 Ų142.569%0.68672%0.719SS**  cis-160.8155.113.4-148.877.5000110.7
604N28.2Very low26.7Very low124 Ų124141.1 Ų141.166%0.66371%0.711SS**  trans38.7128.5145.2-69.111.1000120.5
605N28.9Very low26.7Very low131 Ų131141.6 Ų141.670%0.70172%0.715SS**SBendcis-152.9153.618.2-89.6-31000111.8
606Y24.2Very low26.6Very low176 Ų176144.7 Ų144.769%0.6972%0.722SS**SBendtrans60.189.2172.3-83.4-102000118.1S1881Y606-S1881 WeakPolarHBondContact CE1-OXT 3.46Å
607Q24.8Very low26.3Very low162 Ų162145.6 Ų145.676%0.75773%0.731SS**  trans48.4109.6148.1-58.8-166.7-5.100121.4
608Q26.6Very low26.3Very low175 Ų175150.9 Ų150.982%0.81874%0.74SS**  trans36.1118.6144.5-66.7-176.4-26.900120.4
609F25.8Very low26.3Very low193 Ų193150.8 Ų150.885%0.84674%0.739SS**  -170.5159.6106-115.3-81.6000113.2
610S27.8Very low25.9Very low108 Ų108151.8 Ų151.876%0.75574%0.744SS**  trans29.9123.3162.5-670000122.5
611S23.7Very low25.7Very low115 Ų115152 Ų15280%0.80475%0.749SS**  trans-67.5139158.7-43.20000112.8
612Y28.2Very low25.8Very low240 Ų240146.7 Ų146.794%0.94174%0.744SS**  trans-155.2139.6141.7-116.5-77.1000110.5
613M22.7Very low25.9Very low157 Ų157146.6 Ų146.677%0.77374%0.743SS**  trans-88.2145-175.7-85-76-122.400113.1
614L23.8Very low25.9Very low111 Ų111149.7 Ų149.758%0.58175%0.747SS**  trans47.1116.3143.7-58.3168.8000119.2
615N27.9Very low25.5Very low162 Ų162151.6 Ų151.687%0.86675%0.752SS**  -145.6135.4100.3-85.8-54.4000109.2
616H24.1Very low25.4Very low133 Ų133152.2 Ų152.262%0.61676%0.76SS**  cis97.812333.9-109.3-68.8000115.3
617S22.8Very low25.3Very low84 Ų84147.9 Ų147.959%0.58776%0.756SS**  trans66.5159.2159.5-470000114.9
618Y26.4Very low25.4Very low200 Ų200146.3 Ų146.378%0.78475%0.752SS**  cis-140-178.315-86.8-85.4000109.2
619D27.8Very low25.3Very low128 Ų128144.3 Ų144.368%0.68475%0.747SS**  cis-145146.51.1-111.7-46.3000105.3
620Q23.8Very low25.4Very low173 Ų173142.5 Ų142.581%0.80875%0.746SS**  cis62.79846.2-83.7-151.527.300117.3
621C24.8Very low25.3Very low131 Ų131144.3 Ų144.389%0.88575%0.747SS**  trans-172.4144.6142.2-960000107.7
622S27.4Very low25.4Very low94 Ų94145.8 Ų145.866%0.65775%0.746SS**  cis-162.6176.6-17.657.50000105.9
623H28.8Very low25.2Very low151 Ų151139.8 Ų139.870%0.69974%0.739SS**  cis-166161.121.8-131.8-52.1000110.3
624Y25.2Very low25.3Very low196 Ų196143.4 Ų143.477%0.76975%0.745SS**  trans74.3151.3153.7-90.9-75.3000122.9
625Q21.3Very low25.3Very low164 Ų164145.1 Ų145.177%0.76675%0.753SS**  trans-86.9157.7172.7-52.1148.5-66.800110.5
626V25.1Very low25.1Very low144 Ų144145.6 Ų145.687%0.87375%0.749SS**  -178.1150.2125145.40000111.9
627S23.1Very low25.3Very low85 Ų85143.8 Ų143.859%0.59475%0.749SS**  trans-49.8172.5-169.663.20000123
628N27.2Very low25.4Very low129 Ų129150.5 Ų150.569%0.6976%0.764SS**  trans91112.4139.8-73.3-13.7000121.5
629N24.4Very low25.6Very low133 Ų133146.4 Ų146.471%0.71176%0.759SS**  28.5126102.3-57.4-2.5000116.1
630N28Very low25.6Very low154 Ų154148.6 Ų148.682%0.82476%0.762SS**  -177.2168.861.7-115.4-23.9000112.9
631N25.4Very low25.9Very low146 Ų146145.5 Ų145.578%0.78176%0.756SS**  trans-76.3162.7167.8-82-41.1000113.8
632N25.3Very low25.8Very low146 Ų146144.1 Ų144.178%0.78175%0.747SS**  trans72.294.4156.8-67-17.1000120.6
633S25Very low25.6Very low114 Ų114145 Ų14580%0.79775%0.754SS**  99.3147.6114.880.80000121.1
634R23.1Very low26.1Very low234 Ų234143.2 Ų143.288%0.88376%0.755SS**  trans85.4146157.6-131.7174.7-166.8171.34117.8
635I25.3Very low26.1Very low146 Ų146141 Ų14175%0.74976%0.756SS**  trans83.392.8165.6-50.7168000117.3
636H22.5Very low26.3Very low172 Ų172140.1 Ų140.180%0.79676%0.755SS**  17.8159.1119.1-73.3-79.7000121.5
637P28Very low26.2Very low95 Ų95137.8 Ų137.862%0.61775%0.745SS**  cis-147.5112.9-46.737.9-16.7000114.3
638Y26.4Very low26.5Very low226 Ų226141.5 Ų141.589%0.88676%0.756SS**  trans-145.5141.4169.4-86.9-100.5000109.1
639V30.5Very low26.8Very low113 Ų113140.2 Ų140.269%0.68576%0.755SS**SBendcis-165.4142.7-12.3110.80000105.6
640K28Very low26.8Very low174 Ų174138.4 Ų138.476%0.75775%0.753SS**  cis-160.1140.3-7.2-140.4-178.9-174.7-178.20110.6
641T28.3Very low26.6Very low109 Ų109138.5 Ų138.567%0.66975%0.753SS**  trans38.7107.314654.20000122
642S23.1Very low26.9Very low101 Ų101137 Ų13771%0.70675%0.749SS**  8.2132120.358.60000121.2
643S24.7Very low27Very low114 Ų114136.6 Ų136.680%0.79775%0.752SS**  34.9152.9124.5-44.70000122.6
644P38.1Very low27.3Very low113 Ų113134.8 Ų134.873%0.73475%0.751SS**  cis-134.6-162.5-3136.9-16.5000112.9
645L24.5Very low27.8Very low149 Ų149130.7 Ų130.778%0.7875%0.752SS**  trans95.3120.1168.8-58.9168.8000119.6
646I26.1Very low27.8Very low146 Ų146128.7 Ų128.775%0.74975%0.751SS**  trans14.6137.2133-6.2176.6000116.9
647S24.2Very low28.5Very low95 Ų95126 Ų12666%0.66475%0.748SS**  cis-176.7148.846.3-350000116.9
648I27.9Very low28.7Very low162 Ų162127.7 Ų127.783%0.83176%0.757SS**  trans64.1-179.2151.9-2.2-176.5000119.2
649P33.9Very low29Very low103 Ų103122.3 Ų122.367%0.66975%0.753SS**  -137.2-164.8-113.348.2-28.9000118.3
650S25.5Very low28.9Very low94 Ų94122.6 Ų122.666%0.65776%0.76SS**  trans91.7121.4141.6-80.30000122.4
651L23.7Very low29Very low157 Ų157118.2 Ų118.282%0.82276%0.756SS**  trans61.2146.6157.5-72.181.9000115.9
652T30.8Very low29.1Very low113 Ų113118.3 Ų118.369%0.69376%0.761SS**  cis-151.4152.933.548.60000113.5
653T27.9Very low29.2Very low139 Ų139120 Ų12085%0.85377%0.767SS**  trans39.2120.5144.660.60000121.3
654G31.5Very low29.2Very low75 Ų75125 Ų12577%0.77377%0.768SS**  trans-175.364.9171.300000119.2
655V32.9Very low28.4Very low149 Ų149129 Ų12990%0.90377%0.77SS**  trans4896.3150.1-170.20000119.2
656S24.7Very low29.4Very low103 Ų103126.9 Ų126.972%0.7277%0.765SS**  trans-82.8-173.6144.355.10000110.6
657P38.1Very low29.6Very low115 Ų115124.9 Ų124.975%0.74776%0.764SS**  cis-111-153.1-9.826.4-1.2000109.8
658T31.6Very low29.6Very low131 Ų131126.3 Ų126.380%0.80477%0.773SS**  cis-141.9175.215.349.30000110.2
659S33.7Very low29.5Very low114 Ų114127.7 Ų127.780%0.79778%0.775SS**  cis-121.8133.31.853.50000112.5
660S27.4Very low29Very low118 Ų118125.6 Ų125.683%0.82577%0.773SS**  trans-87-175.5175.252.40000111.2
661A30.7Very low28.8Very low82 Ų82128.5 Ų128.568%0.67878%0.779SS**  cis-155.6-175.117.400000110.9
662S29.2Very low29Very low112 Ų112126.5 Ų126.578%0.78377%0.773SS**  cis-165165.411.236.40000110.9
663V25.9Very low28.9Very low135 Ų135128.2 Ų128.282%0.81878%0.778SS**  cis-178.2168.1-40.3130.60000109.5
664W23.9Very low29Very low219 Ų219126 Ų12683%0.8377%0.768SS**  trans-98.3160.7-174.4-83.10.9000116.8
665Y22.1Very low28.8Very low198 Ų198126.4 Ų126.478%0.77676%0.76SS**  trans71.3171.3140.2-87.1-46.4000122.2
666P46.3Very low28.4Very low104 Ų104127.8 Ų127.868%0.67576%0.756SS**  trans-135.2-169.3-138.746.2-26.9000118.1
667S29.1Very low28.6Very low105 Ų105127.2 Ų127.273%0.73475%0.75SS**  trans106.1123.9150.5-65.50000121.2
668C24.1Very low27.8Very low125 Ų125125.5 Ų125.585%0.84574%0.741SS**  trans81.9139.7150.3-670000122.7
669H25.8Very low27.5Very low190 Ų190127.5 Ų127.588%0.8874%0.739SS**  trans75.8137.7165.8-102.7-81.8000120.9
670G23.9Very low27Very low60 Ų60129.2 Ų129.262%0.61974%0.738SS**  trans80.697.8172.100000113.8
671I22.1Very low27Very low154 Ų154128.4 Ų128.479%0.7973%0.73SS**  51.3107.754.6-36.3170000108.6
672V26.1Very low26.7Very low115 Ų115130.1 Ų130.170%0.69773%0.732SS**  -149.8147.866.5162.90000111.6
673N30.2Very low26.4Very low150 Ų150129.3 Ų129.380%0.80273%0.726SS**  trans66.4137.8170.3-69.1-8.1000118.2
674S29.3Very low26.3Very low91 Ų91127.6 Ų127.664%0.63672%0.72SS**  cis-161.7163.5-17.454.60000110.9
675S28.3Very low26.4Very low85 Ų85125.6 Ų125.659%0.59472%0.72SS**  trans46.8112.6134.771.50000118.8
676E23.8Very low26.6Very low178 Ų178122.4 Ų122.483%0.83272%0.716SS**  124.5169.567.8-96.6-151.3120.900108
677P28.7Very low25.7Very low91 Ų91124.8 Ų124.859%0.59172%0.718SS**  -141.7-156.4-89.633-5.7000112.1
678S21.8Very low25.5Very low78 Ų78125.9 Ų125.955%0.54572%0.716SS.*  trans59.3154.3131.873.50000122.5
679F25.1Very low25.4Very low174 Ų174125.1 Ų125.176%0.76371%0.712SS**  trans66.5127.5-179.7-56.4-83.2000113.8
680L22.5Very low25.7Very low149 Ų149121.8 Ų121.878%0.7871%0.707SS**  cis64.914646.8-62.6157.5000112.5
681P28.2Very low25.9Very low102 Ų102125.4 Ų125.466%0.66272%0.717SS**  cis-116-178.65.639-26.2000114
682T25.3Very low26.4Very low117 Ų117126 Ų12672%0.71872%0.718SS**  trans53101.9154.847.60000118.1
683S22.2Very low26.5Very low95 Ų95127.9 Ų127.966%0.66472%0.724SS**  80.1146.765.972.90000114.2
684S24.3Very low26.2Very low99 Ų99129.4 Ų129.469%0.69273%0.727SS**  trans64.4151.717621.10000114.1
685E25.2Very low25.9Very low177 Ų177130.1 Ų130.183%0.82773%0.73SS**  cis-157.2-145.7-9.8-119.9166.3165.500110.1
686L27.4Very low25.7Very low131 Ų131131 Ų13169%0.68674%0.736SS**  trans-61.8173-176.2-67.963000115.6
687H25.9Very low25.8Very low154 Ų154127.4 Ų127.471%0.71373%0.731SS**  trans72.2151.2165.1-66.2-78.9000116.4
688D25.3Very low25.6Very low129 Ų129133.9 Ų133.969%0.6975%0.745SS**  cis-157.3152.5-7.5-119.5-17.4000112.2
689S22.7Very low25.8Very low109 Ų109137.1 Ų137.176%0.76276%0.756SS**  trans62168.5155-77.40000119.1
690P31Very low25.9Very low120 Ų120135.6 Ų135.678%0.77975%0.751SS**  cis-119.6142.62.838.2-24.2000115.5
691V29.7Very low26.2Very low136 Ų136134 Ų13482%0.82474%0.742SS**  trans-140.4129.8167.7176.70000111
692M30.8Very low26.2Very low165 Ų165136.8 Ų136.881%0.81375%0.748SS**  trans8.7111.1157.5-59.4-71.3-80.500119.4
693N28.5Very low26.3Very low155 Ų155138 Ų13883%0.82975%0.75SS**  trans18.5115141.8-59.8-6.2000120
694E23.5Very low26.7Very low183 Ų183136.3 Ų136.386%0.85574%0.742SS**  -155.4155.6123.8-136.3-179.2-141.400112.9
695C23.3Very low26.9Very low106 Ų106138.3 Ų138.372%0.71675%0.745SS**  trans68.3148.3164.4-71.10000122.2
696S25Very low26.8Very low103 Ų103140.4 Ų140.472%0.7275%0.747SS**  trans75.6116.5154.2-61.70000121.6
697S24.8Very low26.9Very low103 Ų103140.2 Ų140.272%0.7274%0.742SS**  trans56.4109.2136.1-55.60000120.3
698Y26.2Very low27.2Very low226 Ų226137.8 Ų137.889%0.88674%0.738SS**  -153.6117.8118.3-118-77.3000112Q700Y698-Q700 WeakPolarHBondContact CD1-O 3.2Å
699L25.7Very low27.3Very low146 Ų146138.6 Ų138.676%0.76474%0.742SS**  trans-89.6120.6158.9-118.6174.3000106.1
700Q27.1Very low27.4Very low142 Ų142140.6 Ų140.666%0.66474%0.743SS**  trans66.8149.7158.8-71176.6-17.700116Y698Y698-Q700 WeakPolarHBondContact CD1-O 3.2Å
701I29.2Very low27.3Very low116 Ų116144.2 Ų144.260%0.59575%0.746SS**  cis-162.3146.2-9.8-126.3165.6000108.2
702M27.5Very low27.2Very low160 Ų160142 Ų14279%0.78874%0.737SS**  trans60.5159.1156.8-72.5169.7-16700118.8
703D27.8Very low26.8Very low142 Ų142139.8 Ų139.876%0.75973%0.733SS**  cis-167.2-175.8-34.9-136.6-47.3000108.3
704A30.8Very low26.9Very low61 Ų61137.8 Ų137.850%0.50473%0.728SS.*  trans69.6164.214300000119.6Y706A704-Y706 WeakPolarHBondContact CB-O 3.43Å
705N27.6Very low26.9Very low141 Ų141137.4 Ų137.475%0.75473%0.726SS**SBendcis32.490.2-12.7-78.1-2.3000118.3
706Y23.5Very low27.1Very low221 Ų221137 Ų13787%0.86773%0.725SS**  cis-84.2111.5-0-77-102000112.9A704A704-Y706 WeakPolarHBondContact CB-O 3.43Å
707H29.9Very low27.3Very low126 Ų126137.6 Ų137.658%0.58372%0.724SS**  63.1121.457.9-153.5-76.3000113.8
708T32.4Very low27.2Very low103 Ų103137.4 Ų137.463%0.63272%0.723SS**  trans6498.4163.937.90000121.2
709L27.1Very low27.2Very low147 Ų147131.3 Ų131.377%0.7771%0.709SS**  49.2121.2119.3-83.281.1000121.6
710I24.1Very low27.2Very low151 Ų151134 Ų13477%0.77471%0.71SS**  42.695.4121.4-49.2173.5000116.6
711K28.5Very low27.4Very low195 Ų195134.6 Ų134.685%0.84872%0.717SS**  trans-158.9109.1130.8-109.6169.2-175.7176.50112.2
712S27.8Very low27.3Very low90 Ų90135.2 Ų135.263%0.62972%0.722SS**  23.5120.7128.461.60000119.7
713T23.6Very low27.5Very low118 Ų118131.7 Ų131.772%0.72471%0.711SS**  trans1.9134136.956.10000117.5
714P30.5Very low27.7Very low113 Ų113131.4 Ų131.473%0.73471%0.709SS**  -96.7155.578.7-1935.5000112.3
715Q23.8Very low27.5Very low176 Ų176135.5 Ų135.582%0.82272%0.722SS**  56.914059.3-48.1176.4-1900111.9
716S27.2Very low27.7Very low98 Ų98133.2 Ų133.269%0.68572%0.715SS**  cis-157.4156.831510000112.9
717T28.4Very low28Very low115 Ų115128.8 Ų128.871%0.70671%0.711SS**  trans46.8126.8145.656.40000119.8
718S22.8Very low27.7Very low99 Ų99127.2 Ų127.269%0.69271%0.714SS**  52.8148.863.378.60000113.3
719V25.4Very low27.4Very low97 Ų97126.8 Ų126.859%0.58872%0.715SS**  cis-149.6176.327.2-157.90000109.4
720Y27.4Very low27.3Very low202 Ų202124.6 Ų124.679%0.79271%0.712SS**  trans77.5140.6159.2-59.3-50.3000117
721L30.7Very low27.5Very low155 Ų155122.1 Ų122.181%0.81271%0.709SS**  cis-148.8141.61.8-115.6160.6000111.9
722N25.7Very low27.3Very low129 Ų129119.2 Ų119.269%0.6971%0.707SS**  trans-76.3-178.3153-139.110.1000108.1
723P32.6Very low27.1Very low87 Ų87123.1 Ų123.157%0.56572%0.717SS**  cis-125.3-165.3-0.324.83.4000111.1
724N32.6Very low27.7Very low136 Ų136124.8 Ų124.873%0.72772%0.716SS**  cis-147156.523-47.3-94000108.9
725L26.1Very low27.7Very low146 Ų146125.7 Ų125.776%0.76472%0.722SS**  cis63.4150.539.1-94.677.7000115.1
726P32.8Very low27.8Very low93 Ų93121 Ų12160%0.60471%0.709SS**  cis-139.1-168.2-21.739-19.8000113.6
727T28.5Very low27.8Very low128 Ų128123 Ų12379%0.78571%0.712SS**  trans63.4158.3153.248.80000120.3
728S24.7Very low27.6Very low94 Ų94123.9 Ų123.966%0.65771%0.711SS**  cis-170.9163.9-34.2570000111
729S24.5Very low27.7Very low93 Ų93124.9 Ų124.965%0.6571%0.712SS**  trans60.8120.8142.661.10000122.7
730S26.6Very low27.7Very low101 Ų101127.1 Ų127.171%0.70672%0.721SS**  80.7139.2122.966.20000123.7
731S26.9Very low27.7Very low100 Ų100125 Ų12570%0.69972%0.718SS**  trans60.4115.114552.40000119.2
732V25Very low27.4Very low133 Ų133123.9 Ų123.981%0.80671%0.712SS**  90.2127.259.8165.40000113.4
733M24.3Very low27.7Very low172 Ų172123 Ų12385%0.84771%0.712SS**  trans80.6135.8166.3-80.3-68.8147.400121.3
734H35.1Very low27.5Very low153 Ų153127.2 Ų127.271%0.70872%0.724SS**  trans-60.4164170-83.7-130.7000112.6S736H734-S736 PolarHBondContact ND1-OG 2.97Å; H734-S736 VanDerWaalsContact ND1-OG 3.11Å
735P31.1Very low27.6Very low132 Ų132126.1 Ų126.186%0.85773%0.727SS**  -130.1150.195.137.7-31.3000113.8
736S25.8Very low27.5Very low77 Ų77124.5 Ų124.554%0.53873%0.728SS.*  trans-95.6169.1178-49.10000112.8H734H734-S736 PolarHBondContact ND1-OG 2.97Å; H734-S736 VanDerWaalsContact ND1-OG 3.11Å
737N25.9Very low27.4Very low140 Ų140125.3 Ų125.375%0.74973%0.733SS**  trans91.4126.1136.1-82.2-7.1000124.6
738I25Very low27.5Very low135 Ų135123.7 Ų123.769%0.69273%0.727SS**  trans88.5155.1132.5-65.7165.7000119.4
739V26.1Very low27.8Very low119 Ų119127.7 Ų127.772%0.72174%0.735SS**  trans78.584.8-178.3-162.10000113.9
740L23.5Very low28.2Very low145 Ų145126 Ų12676%0.75973%0.731SS**  59.4121.570.2-56.5162.2000114
741Q28Very low28.2Very low157 Ų157128 Ų12873%0.73473%0.734SS**  176.413495.9-96.4-164.3-10.700112.2
742N25.2Very low28.2Very low131 Ų131127.9 Ų127.970%0.70173%0.734SS**  trans61.9147.7140.7-48.9-11.8000116.8
743V31.5Very low28.2Very low112 Ų112127.1 Ų127.168%0.67974%0.735SS**  cis-150.2140.744.2157.20000110
744E28.6Very low28.2Very low174 Ų174124.6 Ų124.681%0.81373%0.732SS**  trans32.1134.6151.3-62.4151.7-150.900119.8
745S33.6Very low27.9Very low114 Ų114124.5 Ų124.580%0.79774%0.737SS**  cis-162.4147.530.525.30000113
746S24.4Very low27.8Very low111 Ų111128.1 Ų128.178%0.77673%0.734SS**  trans-72.2167.8164.2-36.50000110.7
747P31.1Very low27.8Very low110 Ų110131.6 Ų131.671%0.71475%0.746SS**  -148.416574.639.5-22.1000116.8
748S30.2Very low28Very low94 Ų94131.6 Ų131.666%0.65775%0.751SS**  trans62.7143143.160.50000120.6
749H32.3Very low28.1Very low179 Ų179130.4 Ų130.483%0.82976%0.755SS**  cis-169.7166.1-12.4-113.5-59.7000108.7
750G31.2Very low28.3Very low56 Ų56131.9 Ų131.958%0.57776%0.757SS**  trans93.2103.215200000114
751D27.7Very low28.6Very low143 Ų143130.8 Ų130.877%0.76576%0.756SS**  62.892.560.7-48.2-46000110.2
752S26.2Very low28.9Very low99 Ų99128.4 Ų128.469%0.69276%0.755SS**  87.7137.66971.80000114
753S25.3Very low29.2Very low117 Ų117127.7 Ų127.782%0.81876%0.755SS**  trans69.1153.6166.479.10000118.2
754C24.5Very low29.4Very low119 Ų119128 Ų12880%0.80476%0.759SS**  trans-82.4126.4-176.6-57.80000112.2
755N28.6Very low29.4Very low150 Ų150123.4 Ų123.480%0.80276%0.758SS**  trans-160.9172.1136.2-121.4-67.5000117.2
756R28.6Very low29.1Very low209 Ų209123.7 Ų123.779%0.78976%0.76SS**  trans-73.1143.6-162.3-67.3160.9170.1165.9-3.2116.7
757N26.2Very low29.2Very low150 Ų150121.9 Ų121.980%0.80275%0.752SS**  trans53.6102.6130.9-55.9-12.2000121.8
758T30.3Very low28.9Very low140 Ų140122.9 Ų122.986%0.85976%0.757SS**  -147.8118.7124.649.70000107.6
759S27.2Very low28.7Very low109 Ų109124.7 Ų124.776%0.76276%0.764SS**  111.8146.451.7-172.90000109.2
760I29.9Very low28.3Very low151 Ų151122.9 Ų122.977%0.77476%0.76SS**  trans69.985.6-176.7-45.3177.8000113.5
761V30.1Very low28.1Very low121 Ų121126 Ų12673%0.73377%0.768SS**  7613367.9176.10000112.9
762P34.1Very low28Very low108 Ų108125.1 Ų125.170%0.70177%0.768SS**  cis-127.7125.811.826.3-3.5000118.1
763T32.3Very low28Very low116 Ų116125 Ų12571%0.71277%0.767SS**  25.1160.911354.10000122.8
764P35.2Very low28.3Very low118 Ų118124.6 Ų124.677%0.76676%0.762SS**  cis-148.5164.7-26.538.7-19.7000118.2
765G29.4Very low28.4Very low77 Ų77124.3 Ų124.379%0.79476%0.756SS**  trans71.3166.1139.800000120.9
766S26.5Very low28.3Very low120 Ų120122.8 Ų122.884%0.83975%0.747SS**  cis-164152.2-10-166.10000112.6
767A26.4Very low28.3Very low74 Ų74119.2 Ų119.261%0.61274%0.743SS**  trans58.2113.7150.700000124
768T24.9Very low28.6Very low131 Ų131117.4 Ų117.480%0.80473%0.733SS**  70152.1128.363.20000123.9
769V25.1Very low29Very low132 Ų132117.1 Ų117.180%0.873%0.726SS**  trans81.4112.2165-169.90000118.6
770N24.6Very low29.6Very low140 Ų140116.7 Ų116.775%0.74972%0.724SS**  trans10.3139.2151.6-74.4-13.5000122.3
771T26.7Very low29.9Very low123 Ų123116.2 Ų116.276%0.75572%0.723SS**  trans66.2121.7154.860.90000117.7
772T25.3Very low29.9Very low124 Ų124114.5 Ų114.576%0.76172%0.716SS**  174.3138.697.732.10000113.7
773S26.3Very low29.6Very low95 Ų95112.9 Ų112.966%0.66471%0.712SS**  trans65179.3136.1-61.50000118.7
774P31.7Very low29.4Very low110 Ų110110.4 Ų110.471%0.71470%0.699SS**  cis-113.4165.2-9.142.4-30.2000113
775V26.2Very low29.2Very low112 Ų112113.8 Ų113.868%0.67971%0.705SS**  cis77.6156.526.4-168.90000113.5
776I27.9Very low29.4Very low119 Ų119118.1 Ų118.161%0.6171%0.709SS**  trans85.8106.7174.4-51-176.4000113.1N778I776-N778 WeakPolarHBondContact CG2-ND2 3.24Å
777N28.2Very low29.7Very low134 Ų134114.9 Ų114.972%0.71769%0.686SS**  cis93.8176.140.2-66.3-6.6000113.2
778N33.2Very low29.6Very low112 Ų112117.5 Ų117.560%0.59969%0.689SS**  trans86.7152.9163.7-31.9-38.5000114.3I776I776-N778 WeakPolarHBondContact CG2-ND2 3.24Å
779N38.8Very low29.7Very low133 Ų133118.9 Ų118.971%0.71169%0.686SS**  cis-127.1159.24-48.4-97.6000107.7
780S38.4Very low30Very low101 Ų101118 Ų11871%0.70668%0.682SS**SBend-132.6136.764.552.90000114.8
781D37.4Very low30.3Very low141 Ų141116.9 Ų116.975%0.75468%0.676SS**  trans56.976.4150.1-47.6-28.6000115.2
782S29.6Very low30.8Very low85 Ų85117.5 Ų117.559%0.59467%0.674SS**  cis64.136.718.296.60000116
783A28.4Very low31.2Very low73 Ų73117.2 Ų117.260%0.60367%0.667SS**  trans-142.1126.316400000108.1
784S27.5Very low31.3Very low65 Ų65116.8 Ų116.846%0.45566%0.664SS.*  cis-154.6170.55.8-430000111.7L786 S787S784-L786 PolarHBondContact O-N 3.46Å; S784-S787 WeakPolarHBondContact CB-OG 3.42Å; S784-S787 PolarHBondContact O-N 3.37Å; S784-S787 PolarHBondContact OG-OG 2.92Å
785Q31.5Very low31.4Very low188 Ų188119.5 Ų119.588%0.87967%0.668SS**THydrogen-bonded Turntrans-50.8120.2143.3-55.516110.800107.7S787Q785-S787 VanDerWaalsContact C-N 3.32Å; Q785-S787 PolarHBondContact O-N 3.32Å
786L32.4Very low31.5Very low168 Ų168119.1 Ų119.188%0.8867%0.67SS**THydrogen-bonded Turntrans62.135.8-172.9135.1167.8000113.8S784S784-L786 PolarHBondContact O-N 3.46Å
787S33.3Very low31.6Very low53 Ų53120.2 Ų120.237%0.37168%0.675SS.*  trans-135.6112.4149.1-41.30000109.6S784 Q785S784-S787 WeakPolarHBondContact CB-OG 3.42Å; S784-S787 PolarHBondContact O-N 3.37Å; S784-S787 PolarHBondContact OG-OG 2.92Å; Q785-S787 VanDerWaalsContact C-N 3.32Å; Q785-S787 PolarHBondContact O-N 3.32Å
788L23.9Very low31.7Very low129 Ų129119.6 Ų119.668%0.67568%0.677SS**  cis57.5116.411.5-103.7-164000115.9
789H28.4Very low31.3Very low159 Ų159118.4 Ų118.474%0.73668%0.677SS**  trans60.3177.9174-48.5-55.6000111.8
790T29.9Very low30.6Very low115 Ų115121 Ų12171%0.70668%0.682SS**  cis-134.6141.49.329.70000107
791D32.3Very low29.9Very low116 Ų116121.1 Ų121.162%0.6268%0.682SS**SBendcis-152175.722.3-82.8-45.9000110.4L793D791-L793 WeakPolarHBondContact OD1-CD1 3.03Å
792N35.6Very low29.4Very low135 Ų135121.5 Ų121.572%0.72268%0.679SS**  cis-126132.77.2-96.9-76.4000108.4
793L33.7Very low29.4Very low118 Ų118125.5 Ų125.562%0.61869%0.688SS**  67.5140.586.8-90.676.1000114.2D791D791-L793 WeakPolarHBondContact OD1-CD1 3.03Å
794S30.1Very low29.3Very low86 Ų86125.8 Ų125.860%0.60169%0.686SS**  cis-165132.84.444.20000114.6
795Q32.8Very low29.5Very low168 Ų168130 Ų13079%0.78570%0.698SS**  66.3155.3128.6-59.7170.318.300120.4
796S27.9Very low29.4Very low104 Ų104128.6 Ų128.673%0.72769%0.692SS**  cis-169.1-151.6-23.9-83.30000105.7
797I31Very low29.3Very low141 Ų141127 Ų12772%0.72368%0.684SS**  cis-163.2157.42.8-152.4176.9000110.6
798T29.3Very low29.1Very low122 Ų122129 Ų12975%0.74870%0.698SS**  trans62156.7163.754.30000120.1
799S25Very low29.4Very low87 Ų87132.6 Ų132.661%0.60871%0.708SS**  cis-177.5163.1-25.457.80000112.7
800F24.4Very low29.3Very low187 Ų187133.5 Ų133.582%0.8272%0.717SS**  trans75.5121.1152.7-82.8-70.7000123.7
801C23.1Very low29.1Very low103 Ų103135.7 Ų135.770%0.69672%0.719SS**  trans67.8136.1130.5-89.80000127.1
802H27.2Very low28.8Very low149 Ų149136.9 Ų136.969%0.6973%0.725SS**  trans68.4125.3139.2-99.5-91.3000124.7
803H29.5Very low28.3Very low170 Ų170136 Ų13679%0.78772%0.724SS**  trans60.3166.6137.5-81.818.9000119.7
804S26.6Very low27.9Very low79 Ų79139.7 Ų139.755%0.55273%0.731SS**  cis-168149-25.1178.60000110.5
805Q30.7Very low27.6Very low154 Ų154142.5 Ų142.572%0.7274%0.74SS**  trans58.2127.1152.2-78.4164.3-27.600123.9
806Q30.3Very low27.8Very low158 Ų158142.1 Ų142.174%0.73874%0.738SS**  trans63.5155130.7-61.5179.10.100119.5
807N30Very low28Very low133 Ų133142.1 Ų142.171%0.71174%0.735SS**  cis-157.8166.510.4-138.8-21.7000114.4
808S29.2Very low27.9Very low95 Ų95143.9 Ų143.966%0.66474%0.74SS**  trans48.5101.5149.963.30000123.9
809K30.2Very low27.8Very low205 Ų205142.6 Ų142.689%0.89174%0.736SS**  50.398.9112.8-166.2179.3-172.81760120.4
810L26.3Very low28Very low179 Ų179144.1 Ų144.194%0.93774%0.737SS**  trans-160.2179.7142.9-117.1170.4000112.2
811H26.7Very low28.1Very low160 Ų160143.4 Ų143.474%0.74173%0.734SS**  trans-93.7154.5-166.3-140.6-112.8000113.7
812L25.6Very low28.4Very low141 Ų141143.9 Ų143.974%0.73874%0.737SS**  trans67.5118.1165.6-72.9151000119.8
813V25.8Very low28.5Very low116 Ų116142 Ų14270%0.70374%0.741SS**  60.3114.8129.5172.20000119.8
814Y24.6Very low28.8Very low197 Ų197139.5 Ų139.577%0.77374%0.74SS**  trans57.2134.8153.7-83.9-119000117.7
815N24.6Very low28.9Very low145 Ų145141.8 Ų141.878%0.77575%0.75SS**  -164.1167.791.1-108.1-60.7000116.9
816Q36.4Very low28.5Very low160 Ų160140.2 Ų140.275%0.74875%0.751SS**  trans-75.4160.6169.5-54.4166.2-36.600112.2
817P31.8Very low28.3Very low103 Ų103138.2 Ų138.267%0.66975%0.753SS**  trans-114.2155.613434.4-26.5000109.7
818H28.2Very low28.3Very low179 Ų179136.8 Ų136.883%0.82975%0.753SS**  cis-164.8154.3-15.7-88.2-45.8000103.2
819S27.8Very low28.2Very low95 Ų95138.5 Ų138.566%0.66475%0.754SS**  cis-162.7-175.1-6.955.50000104.8
820N29Very low28.6Very low119 Ų119134.1 Ų134.164%0.63675%0.747SS**  cis-170.7165.920.9-139.7-20.8000109.8
821F27.8Very low28.8Very low172 Ų172132.9 Ų132.975%0.75474%0.736SS**  trans57.2123.2158.9-69.1-64.6000123.5
822C28Very low28.9Very low112 Ų112130.2 Ų130.276%0.75774%0.735SS**  trans64.9111.5131.9-67.50000122.7
823S29.6Very low29.2Very low111 Ų111128.3 Ų128.378%0.77673%0.734SS**  trans-53.2156.2133.5-15.70000110.9
824P35Very low29.5Very low117 Ų117127.4 Ų127.476%0.7673%0.733SS**  -149.6-143.56341.7-20.1000113.2
825V29Very low29.7Very low126 Ų126125 Ų12576%0.76473%0.733SS**  trans78.1110.1178.6-168.60000112.8
826V23.7Very low30Very low122 Ų122124.7 Ų124.774%0.73973%0.731SS**  cis98.5127.533.6173.10000112.9
827C24.7Very low29.5Very low115 Ų115124.9 Ų124.978%0.77774%0.736SS**  trans68.8136.9171-73.50000116.5
828S31.6Very low29.3Very low103 Ų103125.8 Ų125.872%0.7274%0.744SS**  cis-146.1159.50.4-450000108.4
829L25.7Very low29.3Very low131 Ų131120.3 Ų120.369%0.68674%0.736SS**  cis60.6138.237.9-64.5166.1000112.4E831L829-E831 HydrophobicContact CD2-CG 4.03Å
830P39.4Very low29.4Very low114 Ų114123.7 Ų123.774%0.7475%0.746SS**  cis-102.3156.339.13.220.2000113.3
831E30Very low29.4Very low153 Ų153125.9 Ų125.972%0.71576%0.755SS**  cis76.914348.9-61.4169-175.800113.9L829L829-E831 HydrophobicContact CD2-CG 4.03Å
832S29.1Very low29.4Very low103 Ų103124.1 Ų124.172%0.7275%0.753SS**  cis-155.1158-10.650.70000108.2
833S30.8Very low29.4Very low102 Ų102125 Ų12571%0.71375%0.75SS**  167.7164.87154.40000106.7
834S32.1Very low29.3Very low97 Ų97125.1 Ų125.168%0.67875%0.746SS**  cis-139.4136.66-57.30000107
835L30.5Very low28.8Very low146 Ų146124.9 Ų124.976%0.76474%0.743SS**  59.5138.969.4-61.3173.2000114.3
836N29.5Very low28.7Very low138 Ų138124.6 Ų124.674%0.73874%0.741SS**  cis-170168.6-26.9-139.7-5.3000109.4
837L26Very low28.8Very low165 Ų165125.6 Ų125.686%0.86474%0.736SS**  trans-133.586.8155-143.977.2000108.2
838C28.1Very low28.8Very low121 Ų121123.3 Ų123.382%0.81872%0.721SS**  82.6169.8103.8-153.20000112.1
839G29.1Very low28.5Very low65 Ų65122.2 Ų122.267%0.6771%0.71SS**  trans-166.7176.3-172.100000117.4
840N29.5Very low28.6Very low165 Ų165118.3 Ų118.388%0.88269%0.694SS**  trans68.6130.1171.9-78.4-10.7000120.3
841M28.3Very low28Very low166 Ų166119.8 Ų119.882%0.81870%0.695SS**  trans85.1124.1156.9-63.3-156.273.100121.6
842L28.2Very low28.2Very low135 Ų135118.3 Ų118.371%0.70770%0.699SS**  trans84.1101151.2-67165000121.2
843N27Very low28Very low131 Ų131118.1 Ų118.170%0.70170%0.697SS**  93.6125.4121.8-82.28.2000123.4
844T27.7Very low27.8Very low112 Ų112120.2 Ų120.269%0.68770%0.701SS**  trans73.191.4134.555.30000122.2
845T25.1Very low27.5Very low113 Ų113120.8 Ų120.869%0.69371%0.705SS**  56.4130.911456.50000122.8
846T26.5Very low27.3Very low120 Ų120119.2 Ų119.274%0.73671%0.705SS**  trans69.8153.9144.157.90000118.3
847K26.6Very low27.7Very low143 Ų143120.4 Ų120.462%0.62271%0.71SS**  cis-153.3131.3-5-128172.3-179.3-179.70112.3
848S24.2Very low27.9Very low66 Ų66117.7 Ų117.746%0.46270%0.702SS.*  trans38.8130.5138.161.50000122L1738 C1739S848-L1738 CarbonylContact O-C 3.17Å; S848-C1739 WeakPolarHBondContact O-CA 3.4Å; S848-C1739 PolarHBondContact O-N 3.02Å
849T26Very low27.9Very low81 Ų81119.6 Ų119.650%0.49770%0.697SS.*  trans159.8-123.6138.672.70000122.1S1737 L1738 C1739T849-S1737 VanDerWaalsContact CB-C 3.4Å; T849-S1737 WeakPolarHBondContact CB-O 3.07Å; T849-S1737 PolarHBondContact OG1-OG 2.9Å; T849-L1738 VanDerWaalsContact CB-N 3.3Å; T849-L1738 WeakPolarHBondContact OG1-CA 3.46Å; T849-L1738 PolarHBondContact OG1-N 3.37Å; T849-C1739 WeakPolarHBondContact CA-SG 2.84Å; T849-C1739 PolarHBondContact N-SG 3.41Å; T849-C1739 VanDerWaalsContact N-SG 3.44Å
850S25.9Very low27.8Very low49 Ų49122.1 Ų122.134%0.34370%0.695SS.*  -116.6159.7-120.758.60000123.1S1737 C1739S850-S1737 VanDerWaalsContact CA-O 3.26Å; S850-S1737 WeakPolarHBondContact CA-O 3.06Å; S850-S1737 WeakPolarHBondContact CB-O 3.26Å; S850-C1739 PolarHBondContact N-SG 2.75Å
851N28.8Very low27.7Very low145 Ų145121.2 Ų121.278%0.77568%0.684SS**  trans-38.6161.1139.3-85.917.3000114.5
852P32.2Very low27.9Very low122 Ų122118.6 Ų118.679%0.79267%0.673SS**  cis-136.9-166.936.544.3-26.6000116.3
853S26.3Very low27.7Very low98 Ų98118.7 Ų118.769%0.68567%0.668SS**  trans-74.5158.4-179.253.10000115.8
854N26.2Very low27.9Very low147 Ų147119 Ų11979%0.78667%0.67SS**  trans74.7124.2156.1-67.8-1000120.7
855S25.9Very low27.7Very low108 Ų108118.5 Ų118.576%0.75566%0.663SS**  trans75.3135.4136.964.70000121.7
856C25.7Very low28.4Very low114 Ų114117.1 Ų117.177%0.7766%0.657SS**  trans67.472.6147.5-63.40000119.7P858C856-P858 WeakPolarHBondContact O-CD 3.47Å
857L37.8Very low28.3Very low163 Ų163116.1 Ų116.185%0.85365%0.654SS**  7112.4126.5-67166.7000117.9
858P31.5Very low28.4Very low107 Ų107117.5 Ų117.570%0.69566%0.66SS**SBendtrans-129.9121.2152.932.7-16.8000111.1C856C856-P858 WeakPolarHBondContact O-CD 3.47Å
859F28.1Very low29.1Very low162 Ų162121.1 Ų121.171%0.71167%0.674SS**  cis-126.1159.5-4.6-81.1-104.2000108F861F859-F861 HydrophobicContact CB-CD2 4.35Å; F859-F861 AromaticContact CD1-CD2 3.95Å; F859-F861 HydrophobicContact CD1-CD2 3.95Å; F859-F861 AromaticContact CD1-CE2 3.63Å; F859-F861 HydrophobicContact CD1-CE2 3.63Å; F859-F861 HydrophobicContact CE1-CE2 4.08Å
860N25.8Very low29Very low117 Ų117123.6 Ų123.663%0.62668%0.684SS**  59.7153.850.6-86-48.9000113.7
861F28.1Very low29Very low146 Ų146126.6 Ų126.664%0.6470%0.696SS**  trans63.696.5-167.8-51.2-73.9000112.3F859F859-F861 HydrophobicContact CB-CD2 4.35Å; F859-F861 AromaticContact CD1-CD2 3.95Å; F859-F861 HydrophobicContact CD1-CD2 3.95Å; F859-F861 AromaticContact CD1-CE2 3.63Å; F859-F861 HydrophobicContact CD1-CE2 3.63Å; F859-F861 HydrophobicContact CE1-CE2 4.08Å
862D31.8Very low28.9Very low112 Ų112127 Ų12760%0.59970%0.699SS**  cis-123.8124.311.6-87.6-6.8000109.6N865D862-N865 PolarHBondContact OD1-ND2 2.66Å; D862-N865 PolarHBondContact OD2-ND2 3.15Å
863K25.1Very low29Very low136 Ų136124.8 Ų124.859%0.59170%0.697SS**SBendcis60.2132.942.1-151.1-169.1-175.6-172.50111.7N865K863-N865 PolarHBondContact O-N 3.29Å
864N31.2Very low29.5Very low139 Ų139127.8 Ų127.874%0.74370%0.704SS**  trans-50.7116.3158.7-65.2-29.7000108.6S866N864-S866 VanDerWaalsContact C-OG 3.28Å; N864-S866 PolarHBondContact O-OG 3.46Å
865N23.4Very low29.8Very low101 Ų101126.9 Ų126.954%0.5470%0.699SS.*  trans-129.389.3159.4-88.6-24.4000103.8D862 K863D862-N865 PolarHBondContact OD1-ND2 2.66Å; D862-N865 PolarHBondContact OD2-ND2 3.15Å; K863-N865 PolarHBondContact O-N 3.29Å
866S40.1Very low30.2Very low83 Ų83127.3 Ų127.358%0.5869%0.693SS**  cis5531.727.4104.20000113.9N864 F868N864-S866 VanDerWaalsContact C-OG 3.28Å; N864-S866 PolarHBondContact O-OG 3.46Å; S866-F868 PolarHBondContact O-N 3.11Å
867C22.8Very low30.6Very low100 Ų100128.7 Ų128.768%0.67669%0.688SS**  -45.8119.8119.6-70.30000107.7
868F30Very low30.1Very low171 Ų171126.7 Ų126.775%0.7568%0.678SS**  cis-152.7171.96-106.8-67.8000109.2S866S866-F868 PolarHBondContact O-N 3.11Å
869L38.8Very low30Very low143 Ų143131.7 Ų131.775%0.74968%0.684SS**  trans53.2100.8150.1-66.4165.2000115.2
870N23Very low30Very low132 Ų132128.4 Ų128.471%0.70668%0.682SS**  49.6129.753.9-131.277.1000111.9
871D26.1Very low30Very low112 Ų112130.4 Ų130.460%0.59969%0.691SS**  trans72.690.7164.1-56.7-45000119.8
872N27.7Very low30.1Very low155 Ų155130 Ų13083%0.82970%0.701SS**  92.5121.6121.1-59.8-38.4000121.9
873G33.8Very low29.9Very low74 Ų74130.1 Ų130.176%0.76371%0.71SS**  trans104.3128.3159.900000114.1
874I36.3Very low29.9Very low161 Ų161128.9 Ų128.983%0.82672%0.719SS**SBendcis-152.5141.8-0-62.4-179.2000104.7
875N33.7Very low29.8Very low128 Ų128127.6 Ų127.668%0.68472%0.716SS**  cis-138.4157.715.8-123.5-3000107.5
876N34.1Very low29.9Very low117 Ų117130.4 Ų130.463%0.62673%0.725SS**  48.7127.674.1-56.7-35.2000115.2
877H32.9Very low29.3Very low143 Ų143132.6 Ų132.666%0.66273%0.731SS**  cis-140.2148.8-2.5-100.8-84000107.5Y879H877-Y879 AromaticContact ND1-CE2 3.94Å
878L27.8Very low29.5Very low122 Ų122133.8 Ų133.864%0.63973%0.731SS**  cis77.39918.4-154.6-171.7000115.4
879Y29.3Very low29.5Very low211 Ų211132.9 Ų132.983%0.82773%0.728SS**  trans-168.9157.8141.8-101.8-66.8000111.7H877H877-Y879 AromaticContact ND1-CE2 3.94Å
880S28Very low28.9Very low94 Ų94135 Ų13566%0.65773%0.728SS**  -165.8155.8-84179.10000110.6
881L26.9Very low29.3Very low158 Ų158135 Ų13583%0.82772%0.723SS**  trans-66.4162170.4-68.4148000113.6
882T28.5Very low29.5Very low137 Ų137136.8 Ų136.884%0.8473%0.728SS**  trans173.2156.3141.3340000109.6
883S27.7Very low29.5Very low115 Ų115136.6 Ų136.680%0.80473%0.727SS**  cis-164-179.5-20-93.90000109.4
884S27Very low29.3Very low110 Ų110140.5 Ų140.577%0.76973%0.728SS**  trans-131.6-179.9-159.354.60000117.2
885V27.9Very low29.2Very low112 Ų112137.5 Ų137.568%0.67972%0.72SS**  trans72.8112.7163.1-1350000117.7
886H25Very low28.9Very low160 Ų160139 Ų13974%0.74172%0.722SS**  -171.6161.583.2-104.882.9000116.1
887D27.4Very low28.7Very low129 Ų129140.5 Ų140.569%0.6973%0.726SS**  trans78.7130.5146.8-74.6-25.2000125.4
888N28.4Very low28.5Very low126 Ų126141 Ų14167%0.67473%0.732SS**  trans81.9113.4143.3-71.3-38000124
889H29.8Very low28.4Very low152 Ų152144.3 Ų144.370%0.70474%0.741SS**  101.7125.4118.1-91.2-12.6000123.5
890Y26.4Very low28.3Very low187 Ų187138.6 Ų138.673%0.73374%0.737SS**  trans66.2148.9155-77.8-104.7000118.1
891H29.8Very low28.7Very low133 Ų133139.3 Ų139.362%0.61674%0.74SS**  cis-169152.4-18.7-146.1-129.5000111.7
892Q31.5Very low28.5Very low148 Ų148139.7 Ų139.769%0.69274%0.742SS**  trans58.8145.8163.9-72.3156.2-5100119.4
893N27.8Very low28.5Very low152 Ų152140.3 Ų140.381%0.81374%0.738SS**  cis94.3146.616.1-74-30.5000118.7
894I28.8Very low28.5Very low155 Ų155141.1 Ų141.180%0.79574%0.738SS**  trans107.5139.2153.4-79.6155.7000119.2
895P34.8Very low29Very low99 Ų99141.2 Ų141.264%0.64374%0.736SS**  trans-148-172.7-137.942.2-19.5000118.7
896Q27.4Very low29.3Very low158 Ų158141.2 Ų141.274%0.73874%0.738SS**  trans71.1149.9140-93.1-176.71600124
897Q28.8Very low29.6Very low149 Ų149141.4 Ų141.470%0.69674%0.744SS**  112.5131.6128.2-98.3175.258.100123.1
898I29.5Very low29.5Very low154 Ų154143 Ų14379%0.7975%0.751SS**  trans98.2135.8142.2-70.5164.2000121.7
899K26.5Very low29.6Very low192 Ų192142.3 Ų142.384%0.83575%0.754SS**  trans-84.9144.5-172.3-68.8172.5166179.10115.8
900A26Very low29.7Very low90 Ų90140.5 Ų140.574%0.74476%0.759SS**  trans64.5177.2130.200000119.8
901P37.6Very low29.7Very low110 Ų110139.5 Ų139.571%0.71477%0.765SS**  -135.5-170.2-77.141.6-25.4000115
902L22.7Very low29.8Very low165 Ų165138.1 Ų138.186%0.86477%0.768SS**  trans96.1153.7163.6-65.1154.6000120
903I28.4Very low29.6Very low151 Ų151135.4 Ų135.477%0.77477%0.765SS**  trans85.990.3165.1-43.7-173.4000119.1
904V27.5Very low29.7Very low131 Ų131135.3 Ų135.379%0.79476%0.764SS**  45.7134.9120.6-176.60000120.6
905P37.3Very low29.6Very low112 Ų112132 Ų13273%0.72775%0.754SS**  trans-96-176.4-167.143.3-40.8000114.6
906P34.5Very low29.4Very low112 Ų112134.7 Ų134.773%0.72776%0.764SS**  -150.9-17291.236-14.7000116.1
907L29.7Very low29.4Very low165 Ų165135.7 Ų135.786%0.86477%0.768SS**  trans10194.8161.7-58.3171.4000119.8
908L26.1Very low29.5Very low161 Ų161134.5 Ų134.584%0.84377%0.773SS**  trans-64.5173.1142.3-91.695.8000110.9
909P31.6Very low29.2Very low113 Ų113132.9 Ų132.973%0.73476%0.758SS**  cis-145.2172.127.843.5-24.7000118.5
910S31.1Very low29.5Very low114 Ų114128.8 Ų128.880%0.79775%0.751SS**  163.7101.212265.90000114
911L26.6Very low29.4Very low165 Ų165132 Ų13286%0.86475%0.75SS**  trans-76175.3149.9-91.3155.9000108.8
912P31.9Very low28.7Very low105 Ų105133.7 Ų133.768%0.68275%0.747SS**  cis-153.5-178.635.841-17.5000119.7
913S27.5Very low28.8Very low90 Ų90131 Ų13163%0.62974%0.738SS**  trans47.6138.7141.362.80000120.9
914L29.6Very low28.5Very low151 Ų151131.1 Ų131.179%0.79174%0.739SS**  cis-156133.249.8-92.793000107.6
915S26.8Very low28.4Very low84 Ų84133 Ų13359%0.58774%0.74SS**  78.1105.257.779.10000115.6
916N30.7Very low28Very low157 Ų157134.6 Ų134.684%0.8474%0.737SS**  173.3133.5114.3-82.9-3.1000113.9
917H26.7Very low27.5Very low179 Ų179136.7 Ų136.783%0.82974%0.741SS**  trans-71.9160.1163.2-87.7-72.9000110.7
918P31.5Very low27.4Very low123 Ų123134.5 Ų134.580%0.79973%0.728SS**  -151.4166.774.442-22000118.5
919Y23.5Very low27.3Very low120 Ų120134.3 Ų134.347%0.47173%0.728SS.*  trans-73.3174.6158.5-104.7-109.4000111.2S1059 I1060Y919-S1059 WeakPolarHBondContact CE2-O 3.34Å; Y919-S1059 PolarHBondContact OH-O 3.25Å; Y919-I1060 VanDerWaalsContact OH-CB 3.23Å; Y919-I1060 WeakPolarHBondContact OH-CB 3.32Å; Y919-I1060 WeakPolarHBondContact OH-CG2 3.49Å; Y919-I1060 PolarHBondContact OH-O 3.39Å
920P31Very low27.1Very low107 Ų107135.3 Ų135.370%0.69573%0.732SS**  cis-140.7170.711.642.5-23.9000118.5
921Q24.8Very low27Very low156 Ų156134.6 Ų134.673%0.72972%0.723SS**  trans50133141.3-71.1-173.78.800125.3
922F23.2Very low27.2Very low146 Ų146132.9 Ų132.964%0.6472%0.72SS**  trans95.7107.8141.4-79.8-53.6000123.7
923T23.8Very low27.1Very low110 Ų110132.7 Ų132.768%0.67572%0.721SS**  trans82.7125.3141.760.60000123.1
924N23.8Very low27.3Very low152 Ų152136.3 Ų136.381%0.81373%0.728SS**  trans78.7164.1144.3-65.6-20.7000120.3
925E25.2Very low27.3Very low171 Ų171135.2 Ų135.280%0.79973%0.727SS**  trans70.4147.3-178.8-64.6178.9-164.200115.2
926H29.2Very low27.4Very low146 Ų146140.7 Ų140.768%0.67674%0.743SS**  cis-144.5127.9-3.9-136.4-59.2000111.4
927L24.1Very low27.2Very low155 Ų155141.4 Ų141.481%0.81274%0.744SS**  trans-82128.5150.4174.675.3000106.9
928M26.7Very low27.1Very low119 Ų119141.1 Ų141.159%0.58675%0.745SS**  trans179.2112.7143.9-99.7-61.7169.700110.2T930 T931M928-T930 PolarHBondContact O-N 3.46Å; M928-T931 HydrophobicContact CE-CG2 4.36Å; M928-T931 HydrophobicContact SD-CG2 4.16Å
929N24.1Very low27.1Very low158 Ų158141 Ų14185%0.84574%0.742SS**SBendtrans-70.1121.4145.2-98.3-30.9000106.5T931N929-T931 PolarHBondContact O-N 3.38Å
930T26.8Very low27.3Very low133 Ų133141.9 Ų141.982%0.81676%0.755SS**  trans-37.1121.2-172.952.10000114.8M928M928-T930 PolarHBondContact O-N 3.46Å
931T30.1Very low27.1Very low100 Ų100141.3 Ų141.361%0.61375%0.753SS**  trans-79.2123163.837.90000110.2M928 N929M928-T931 HydrophobicContact CE-CG2 4.36Å; M928-T931 HydrophobicContact SD-CG2 4.16Å; N929-T931 PolarHBondContact O-N 3.38Å
932T30.8Very low27.1Very low129 Ų129139.8 Ų139.879%0.79176%0.755SS**  trans49.6132.7150.456.30000120.3
933S29.8Very low27.2Very low100 Ų100137.9 Ų137.970%0.69976%0.759SS**  cis-169.8166.8-4.653.30000110.3
934H30.6Very low27.3Very low167 Ų167138.7 Ų138.777%0.77376%0.764SS**  trans6884172.2-77.7-83.8000118.9
935T29.8Very low27.5Very low127 Ų127138.7 Ų138.778%0.77976%0.762SS**  trans72.3128.1138.345.40000121.4
936Q30.2Very low27.5Very low199 Ų199137.8 Ų137.893%0.9377%0.768SS**  trans81.3165.2170.2-61.3-172.2-28.100117
937M24.9Very low27.4Very low173 Ų173133.6 Ų133.685%0.85276%0.764SS**  trans-99.8168.4-154.6-63.316261.200113.7
938M25.9Very low27.4Very low173 Ų173131.8 Ų131.885%0.85277%0.765SS**  trans104127.8157.6-66.3-171.3166.400119.8
939V31.5Very low27.4Very low120 Ų120132 Ų13273%0.72777%0.773SS**  trans84.4110.5136170.80000121.4
940N27.1Very low27.3Very low139 Ų139131.4 Ų131.474%0.74377%0.77SS**  trans60.1124133.5-63.915000125.6
941S25.8Very low27.2Very low94 Ų94130 Ų13066%0.65777%0.765SS**  84.2111.3119.9-61.40000124.7
942T26Very low27.2Very low125 Ų125132.1 Ų132.177%0.76777%0.771SS**  64.8129.2125.362.40000124.5
943S25.7Very low27Very low106 Ų106132.2 Ų132.274%0.74177%0.767SS**  97.7117.5125.467.50000124.1
944V26.1Very low26.9Very low127 Ų127135.7 Ų135.777%0.7777%0.772SS**  78.9102.1124.1179.60000122.5
945I26.2Very low26.6Very low151 Ų151132.3 Ų132.377%0.77477%0.767SS**  trans52.1107.4131.1-51.2176.1000121.5
946V27.2Very low26.5Very low152 Ų152133.7 Ų133.792%0.92177%0.77SS**  trans-149.3143.6134.4-175.10000107.5
947G26Very low26.9Very low58 Ų58129.5 Ų129.560%0.59876%0.76SS**  cis160.5155.6-9.300000113.2
948S24.2Very low26.9Very low117 Ų117126.2 Ų126.282%0.81875%0.75SS**  trans72.5138166.8-65.20000122.3
949T25.6Very low27.1Very low124 Ų124125 Ų12576%0.76175%0.747SS**  trans64.8118.7153.7500000122.6
950N23.8Very low26.9Very low146 Ų146126.9 Ų126.978%0.78175%0.745SS**  trans49.8128.9137.5-60.7-7.8000121.7
951S23.8Very low27Very low102 Ų102127 Ų12771%0.71374%0.744SS**  125.8131.6129.1-530000117.4
952I29.4Very low27.1Very low145 Ų145128.3 Ų128.374%0.74474%0.744SS**  trans77.1113.7137.7-68.9166.7000120
953N28.4Very low27.1Very low132 Ų132127.7 Ų127.771%0.70674%0.741SS**  trans51.1122.4136.7-56.32.4000120.2
954Q26.2Very low27.1Very low172 Ų172130.3 Ų130.380%0.80474%0.741SS**  62.592.874.4-71.7-171.4-11.100115.4
955S25.6Very low27.2Very low97 Ų97128.5 Ų128.568%0.67873%0.734SS**  32.3126.9124.758.70000121
956N26.2Very low27.4Very low155 Ų155127.2 Ų127.283%0.82973%0.733SS**  -168.8159.2107-99.1-7.9000114
957P38.9Very low27.3Very low111 Ų111126.4 Ų126.472%0.72172%0.719SS**  trans-97.7175.9170.540.1-35000113
958T25.9Very low27.4Very low104 Ų104130.7 Ų130.764%0.63872%0.722SS**  trans-150.2147.5161.838.60000111.2
959D29.2Very low27.5Very low149 Ų149130.1 Ų130.180%0.79771%0.709SS**  trans-89-176.1-172.9-41.3-92.2000114.4
960F28.4Very low27.5Very low158 Ų158134.7 Ų134.769%0.69371%0.713SS**  trans-174.3134.7140.8-103.5-55.2000114.8L78L78-F960 HydrophobicContact CD1-CE1 3.88Å; L78-F960 HydrophobicContact CD1-CZ 4.19Å
961I29.3Very low28Very low141 Ų141131.3 Ų131.372%0.72371%0.712SS**  trans67.5144.6138.9-90.8164.9000118.5
962D26.5Very low28.3Very low122 Ų122135.1 Ų135.165%0.65272%0.719SS**  cis-161.1-173.54.3-134.3-21.1000114.1
963T27.3Very low28.4Very low113 Ų113133 Ų13369%0.69372%0.716SS**  trans9.1164149.957.60000122.4
964E24.1Very low28.5Very low160 Ų160136.4 Ų136.475%0.74873%0.728SS**  cis165174.4-13.8-169.6-158.3-119.600105
965S28.5Very low28.8Very low89 Ų89132 Ų13262%0.62273%0.729SS**  trans65.2177153.3-80.60000116.5
966V30.3Very low29Very low125 Ų125131.6 Ų131.676%0.75874%0.74SS**  cis-151.7172.6-32.2129.90000108.5
967E26Very low29.1Very low135 Ų135128.3 Ų128.363%0.63174%0.743SS**  trans-48.1163.1173.3-42.8-17797.300118.4
968K28.8Very low28.7Very low148 Ų148128.6 Ų128.664%0.64375%0.747SS**  trans74.5119.9135.2-82.9162.7-169.2154.20122
969D25.8Very low28.9Very low105 Ų105128 Ų12856%0.56175%0.748SS**  83.7109.8121.3-74.4-9.8000122.5
970R24.8Very low28.9Very low220 Ų220129.3 Ų129.383%0.8375%0.749SS**  71.6103.1118.6-65.7170.6164.1117.71.1119
971G33.9Very low28.8Very low74 Ų74126.4 Ų126.476%0.76375%0.748SS**  trans154.9143.4133.500000112.9
972E31.6Very low28.5Very low183 Ų183128.3 Ų128.386%0.85575%0.754SS**  cis-151.2112.6-11.5-98174.7169.700104
973S30.3Very low28.6Very low99 Ų99128.8 Ų128.869%0.69276%0.761SS**  77.1135.888.569.70000115.9
974E30.9Very low28.6Very low204 Ų204128.2 Ų128.295%0.95376%0.762SS**  trans79.2135.2170.2-46.9-162.5160.300117.6
975G32Very low28.7Very low81 Ų81127 Ų12784%0.83577%0.769SS**  trans170.1-52.6-177.400000115.4
976G30.3Very low28.6Very low88 Ų88125.9 Ų125.991%0.90777%0.772SS**  trans85.9157172.700000116.9
977G29.4Very low28.5Very low86 Ų86131.9 Ų131.989%0.88778%0.783SS**  trans136.864.8172.500000117.6
978S29.8Very low28.7Very low116 Ų116129 Ų12981%0.81179%0.789SS**  trans-73.5162.3166.149.80000112.3
979S30.5Very low28.8Very low93 Ų93125.5 Ų125.565%0.6580%0.796SS**  cis-173.7171.9-8.746.10000109.7
980E28.6Very low29.1Very low176 Ų176127.4 Ų127.482%0.82281%0.811SS**  trans17.8151.2138.9-65.7158.1-16300121.9
981S26.3Very low29.4Very low97 Ų97125.9 Ų125.968%0.67881%0.805SS**  cis175.2136.2-2848.90000110.2
982E23.8Very low29.4Very low181 Ų181129.1 Ų129.185%0.84681%0.81SS**  trans69.1158.2159.7-61.1-169.2156.700122.5
983V28.5Very low29.4Very low131 Ų131123.4 Ų123.479%0.79480%0.8SS**  trans93.2109.1162.3-167.70000120.3
984S26.1Very low29.5Very low101 Ų101125.2 Ų125.271%0.70680%0.802SS**  trans7895149.5-66.10000124.1
985C25.9Very low29.7Very low135 Ų135123.2 Ų123.291%0.91280%0.798SS**  57.5124.6116.5-55.10000124
986G26.8Very low29.5Very low66 Ų66127.2 Ų127.268%0.6880%0.799SS**  trans135.9127.513200000119.1
987Y29.5Very low29.4Very low250 Ų250134.1 Ų134.198%0.9880%0.798SS**  trans64.4141.2168.2-60.4-93000118.2
988G28.5Very low29.4Very low74 Ų74135.1 Ų135.176%0.76379%0.791SS**  cis149.8115-10.400000115.1
989G32.6Very low29.5Very low76 Ų76133 Ų13378%0.78478%0.781SS**  trans83.3164.4161.100000119.5
990V32Very low29.6Very low144 Ų144135.4 Ų135.487%0.87379%0.787SS**  cis-152.3153.5-7.1174.90000112.1
991R30.6Very low29.7Very low189 Ų189133.1 Ų133.171%0.71378%0.78SS**  trans-37.5156.3177.1-60.2172.8170.2165.5-3.7123.1
992T32.9Very low30Very low142 Ų142136.2 Ų136.287%0.87178%0.784SS**  trans179164136.417.30000108.6
993G32.9Very low30.3Very low62 Ų62131.9 Ų131.964%0.63977%0.773SS**  cis154.4153.3-2.800000110
994D32.6Very low30.4Very low137 Ų137130.6 Ų130.673%0.73377%0.77SS**  cis-166.7168.7-4.5-65.5-57.8000111
995N33.8Very low30.6Very low162 Ų162132.4 Ų132.487%0.86677%0.772SS**  trans95.6157.1160.3-61.1-71.7000123
996L28.7Very low30.8Very low166 Ų166132 Ų13287%0.86976%0.76SS**  trans-130.4170.4-171-56.2103.1000114.8
997R28.5Very low30.8Very low232 Ų232134.8 Ų134.888%0.87576%0.76SS**  trans100.2148.2132.1-150.1176.4174.5172.8-1.4120.6
998S29.6Very low30.6Very low107 Ų107128.4 Ų128.475%0.74875%0.747SS**  trans77.2149.3161.8-61.30000118.9
999A30.8Very low30.8Very low73 Ų73135.3 Ų135.360%0.60375%0.752SS**  cis-171.4178.9-18.800000110.4
1000D32.1Very low30.3Very low142 Ų142136.3 Ų136.376%0.75975%0.746SS**  trans71.8151154.1-64.7-47.4000120.9
1001N30.4Very low30.2Very low128 Ų128135.7 Ų135.768%0.68474%0.743SS**  cis-169.1-178.9-33.5-134.1-53.6000111.4
1002H33.6Very low30.2Very low163 Ų163131.9 Ų131.976%0.75574%0.741SS**  trans80.591.8158.5-74.1-64.9000125.1
1003S29.4Very low30Very low90 Ų90131.8 Ų131.863%0.62974%0.735SS**  50.2140.8109.966.40000126.5
1004S31.7Very low30.1Very low103 Ų103135.7 Ų135.772%0.7274%0.742SS**  trans82.5156.314583.70000120.1
1005N30.7Very low30.2Very low140 Ų140134.2 Ų134.275%0.74974%0.737SS**  cis-166.4146.8-24.2-106.2-4.3000112.8
1006N28.7Very low30Very low125 Ų125133.1 Ų133.167%0.66873%0.731SS**  trans50.4120.6141.4-65.8-4.6000125.6
1007N27.6Very low30Very low126 Ų126131.9 Ų131.967%0.67473%0.726SS**  89.8111.1117.7-66.4-3.3000126.1
1008T25.9Very low30.2Very low116 Ų116124 Ų12471%0.71272%0.717SS**  80.4166.8124.763.30000123.5
1009Y30.7Very low30.2Very low219 Ų219124 Ų12486%0.85972%0.717SS**  trans84.5115.4-171.3-63.5-77.3000115.5
1010S23.9Very low29.9Very low96 Ų96131.6 Ų131.667%0.67174%0.737SS**  cis118.8147.33.3-62.60000113.2
1011T30Very low29.6Very low132 Ų132127.7 Ų127.781%0.8173%0.73SS**  trans75.7141.3177.671.90000116.5
1012T30.1Very low29.3Very low108 Ų108129.2 Ų129.266%0.66374%0.738SS**  cis-157.6150.9-4.16.90000113.3
1013N27.4Very low28.9Very low140 Ų140128.6 Ų128.675%0.74974%0.737SS**  trans54.4110.3147.3-58.3-12.4000121.1
1014N35Very low28.6Very low145 Ų145131.1 Ų131.178%0.77574%0.743SS**  -157.412990.5-124.5-4000113.9
1015T34.9Very low28.3Very low105 Ų105133.1 Ų133.164%0.64475%0.746SS**  trans41.6106.8158.954.80000119.6
1016N29.4Very low28.1Very low139 Ų139134.4 Ų134.474%0.74375%0.747SS**  74.7132.863.1-64.511.5000113
1017N30.6Very low28.1Very low141 Ų141135.8 Ų135.875%0.75475%0.754SS**  cis-144.7160.2-5-82.6-24.9000106.7
1018G31.3Very low28.1Very low67 Ų67136.8 Ų136.869%0.69176%0.759SS**  cis95.614434.500000110
1019S30.7Very low28.2Very low107 Ų107136 Ų13675%0.74875%0.754SS**  cis-163.3161.9-2-63.20000108.7G1021S1019-G1021 PolarHBondContact O-N 3.06Å; S1019-G1021 VanDerWaalsContact O-N 3.14Å
1020F23.2Very low28.1Very low231 Ų231131.4 Ų131.4100%1.01374%0.744SS**  trans-80.183.6149.6-109.2-80.3000108.2
1021G27.6Very low28.6Very low61 Ų61134.7 Ų134.763%0.62975%0.746SS**  trans-97.4146.5175.100000111.2S1019S1019-G1021 PolarHBondContact O-N 3.06Å; S1019-G1021 VanDerWaalsContact O-N 3.14Å
1022L23.8Very low28.7Very low159 Ų159137 Ų13783%0.83275%0.745SS**  trans-80.5159.4-174.4-81161.6000114
1023M23.9Very low28.7Very low150 Ų150140.4 Ų140.474%0.73975%0.747SS**  trans71.3102.7152.3-69.5162-175.500119.8
1024N22.9Very low28.8Very low143 Ų143137 Ų13777%0.76575%0.745SS**  53.8119.3118.3-53.3-13.2000119.7
1025N26.2Very low28.5Very low145 Ų145134.6 Ų134.678%0.77574%0.738SS**  -160.5153103.5-109.9-17.7000115
1026E26Very low28.3Very low167 Ų167136.4 Ų136.478%0.7874%0.739SS**  trans46.996.7151-60.3-176.3135.100119.9
1027L28.4Very low28.3Very low154 Ų154135 Ų13581%0.80673%0.731SS**SBend-161.2129.195.5-132.376.2000112.7
1028L28.8Very low28.1Very low148 Ų148134.4 Ų134.478%0.77573%0.727SS**  trans54.5131.5167.9-84.271.8000118.7
1029T28.6Very low27.8Very low99 Ų99139.2 Ų139.261%0.60773%0.732SS**  cis175.2144.8-26.421.50000107.1
1030N28.6Very low27.6Very low122 Ų122141.6 Ų141.665%0.65274%0.735SS**  trans64154.4150.5-66.6-42.1000115.9
1031K33.4Very low28.1Very low165 Ų165135.2 Ų135.272%0.71772%0.717SS**  cis-175.8161.7-2.5-108.9169.3-170.8160.10104.9
1032K32.4Very low28.1Very low181 Ų181138.6 Ų138.679%0.78772%0.72SS**  cis-160.9151.4-14.6-151.3-174.7-178.6-164.10108.4
1033Y30.5Very low28.3Very low179 Ų179137.6 Ų137.670%0.70272%0.716SS**  trans-32.6156.7140.2-86.2-102.4000115.3
1034G28.9Very low28.4Very low69 Ų69136.8 Ų136.871%0.71172%0.715SS**  cis-168.6-155.815.800000114.3
1035C29.4Very low28.8Very low94 Ų94139.7 Ų139.764%0.63572%0.716SS**SBendcis-151.9165.89.3-100.60000108.8
1036H29.5Very low28.9Very low143 Ų143139.6 Ų139.666%0.66272%0.715SS**  cis-158.2148.813.5-122.3-42.1000110.3
1037I28.9Very low29.1Very low109 Ų109138.3 Ų138.356%0.55972%0.719SS**  trans68.8126.2138.5-78.5165.2000120.3
1038D26.9Very low29.3Very low129 Ų129134.4 Ų134.469%0.6972%0.715SS**  trans58.1132.8151.6-49.40.7000118
1039E26Very low29.3Very low169 Ų169134.4 Ų134.479%0.7972%0.716SS**  64112.355.9-59-175.317300110.6
1040I25.1Very low29.4Very low156 Ų156136.6 Ų136.680%0.872%0.724SS**  58.3125.767.3-59.7175.5000109.6
1041P35.5Very low29.5Very low98 Ų98137.2 Ų137.264%0.63673%0.732SS**  cis-143.3-156.514.629.1-1000115.5
1042D26.1Very low29.1Very low132 Ų132137.5 Ų137.571%0.70674%0.742SS**  trans94.2127.8140.6-66.7-15.2000123.6
1043D29Very low29Very low137 Ų137132.2 Ų132.273%0.73374%0.739SS**  trans70.5112.6141.1-61.3-5.6000124.4
1044D26.1Very low28.8Very low134 Ų134131 Ų13172%0.71774%0.744SS**  trans38.5120.1134.4-65.7-11.5000121.4
1045Y30.3Very low28.7Very low204 Ų204134.7 Ų134.780%0.875%0.748SS**  172.2124.398.7-103.4-85.3000112.7
1046L28Very low28.4Very low142 Ų142135.2 Ų135.274%0.74375%0.752SS**  trans70.3136.1152.3-71.3159.8000123
1047T30.2Very low28.2Very low141 Ų141134.6 Ų134.687%0.86576%0.758SS**  trans64.8120.5149.150.20000120.2
1048G32.6Very low28.1Very low71 Ų71135.9 Ų135.973%0.73277%0.766SS**  trans157.270.9169.100000114.7
1049D30.3Very low28.1Very low149 Ų149132.8 Ų132.880%0.79776%0.755SS**  trans26.4130.2152.7-48-18.3000122.2
1050D30.7Very low28.2Very low144 Ų144130 Ų13077%0.7774%0.744SS**  trans67.663.4140-56.8-10.1000122.2
1051T30.5Very low28.4Very low135 Ų135128.8 Ų128.883%0.82874%0.739SS**  50.2101129.759.80000121.4
1052D24.6Very low28Very low171 Ų171129.7 Ų129.791%0.91474%0.738SS**  trans-92.6167.4146.1-78.9-56.8000111.1
1053G30.7Very low28Very low71 Ų71129.3 Ų129.373%0.73274%0.736SS**  trans-175.745.1-174.400000120.4
1054D26.6Very low28Very low152 Ų152130.4 Ų130.481%0.81374%0.737SS**  trans46.6143.7145.8-57-22.3000126.1
1055D26Very low28.2Very low147 Ų147131.2 Ų131.279%0.78674%0.736SS**  trans62.2104.7143.2-81-2.5000125.2
1056C23.8Very low28.2Very low106 Ų106127.6 Ų127.672%0.71673%0.731SS**  45.7124.8114.3-73.60000124.3
1057T25Very low28.3Very low130 Ų130125.1 Ų125.180%0.79872%0.721SS**  trans81.994.113853.10000122.6
1058D25.3Very low28.4Very low136 Ų136123.2 Ų123.273%0.72771%0.706SS**  85.7124.6116.7-146.1-17.1000121.6
1059S28.5Very low28.5Very low64 Ų64127.8 Ų127.845%0.44870%0.702SS.*  trans90130.1148.8-80.30000123.2Y919Y919-S1059 WeakPolarHBondContact CE2-O 3.34Å; Y919-S1059 PolarHBondContact OH-O 3.25Å
1060I26.8Very low28.4Very low110 Ų110126.1 Ų126.156%0.56469%0.694SS**  trans79.6111.2132.1-70.4171.9000120.7Y919Y919-I1060 VanDerWaalsContact OH-CB 3.23Å; Y919-I1060 WeakPolarHBondContact OH-CB 3.32Å; Y919-I1060 WeakPolarHBondContact OH-CG2 3.49Å; Y919-I1060 PolarHBondContact OH-O 3.39Å
1061L29.5Very low28.4Very low131 Ų131127.3 Ų127.369%0.68669%0.694SS**  56.4147.6121.8-48.7-171.9000120.4
1062D26.8Very low28.4Very low117 Ų117125.7 Ų125.763%0.62668%0.684SS**  cis-169.2-178.5-5.4-104.5-10.8000110.1
1063D27.5Very low28.7Very low124 Ų124124 Ų12466%0.66368%0.675SS**  trans71.8111.1156.8-56.9-17.2000118.3
1064E27.6Very low28.8Very low160 Ų160129.3 Ų129.375%0.74868%0.681SS**  98.6147.568.6-84.2174.7-179.100111.3
1065E30.7Very low29.2Very low151 Ų151129 Ų12971%0.70667%0.669SS**  cis-156-170.84.6-139.8172.5179.300111.6
1066D30.6Very low29.4Very low127 Ų127127.6 Ų127.668%0.67966%0.662SS**  trans79.1112.1161-69.7-26.6000121.2
1067T30.7Very low29.6Very low90 Ų90128.2 Ų128.255%0.55266%0.658SS**  cis94.1150.936.4750000113.4
1068D30.9Very low29.8Very low101 Ų101126 Ų12654%0.5464%0.641SS.*  cis-161.1-168.4-11.5-115.1-14.6000112.9
1069Y34.5Very low30Very low167 Ų167123.8 Ų123.866%0.65563%0.629SS**  trans107.9123.1140.8-57.4-68.2000115.6
1070D29.9Very low30.1Very low115 Ų115126.7 Ų126.762%0.61564%0.64SS**  cis166.5170.9-7.5-1077.2000103.1
1071E29.4Very low30.2Very low168 Ų168128 Ų12879%0.78565%0.648SS**  cis-144.6126.835.1-96.8-172.7116.500112.1
1072V31.7Very low30.1Very low102 Ų102128.2 Ų128.262%0.61865%0.65SS**  52.8142.9128.4-55.80000122.3
1073D30.7Very low30.3Very low135 Ų135127.7 Ų127.772%0.72265%0.651SS**  cis-135.9145.1-3.6-95.6-34.6000110
1074E32.8Very low30.3Very low183 Ų183129.8 Ų129.886%0.85566%0.657SS**  trans-57.4139-171.7-54.3173.4123.400113.6
1075Y34.3Very low30.4Very low145 Ų145129.2 Ų129.257%0.56966%0.659SS**  cis59.715536.5-66.7-86.5000114.8
1076D29.4Very low30.3Very low117 Ų117128.3 Ų128.363%0.62666%0.659SS**  -159.5174.5-56.7-100.5-15.9000106.4
1077N29.2Very low30.2Very low119 Ų119128.8 Ų128.864%0.63666%0.66SS**  56.115551.1-80.249.6000111.4
1078D28.9Very low30.3Very low84 Ų84132.5 Ų132.545%0.44968%0.677SS.*  cis-157.3157.1-17.8-85.3-14.1000104.5
1079D30.2Very low30.3Very low89 Ų89134.3 Ų134.348%0.47669%0.686SS.*  cis-165.2163.5-11.9-98.6-28.2000107.9N555N555-D1079 PolarHBondContact ND2-OD2 3.14Å
1080D29.8Very low30.5Very low125 Ų125131.7 Ų131.767%0.66869%0.69SS**  trans54.2152142.2-59.9-23.2000125.5
1081D29.2Very low30.6Very low139 Ų139131 Ų13174%0.74369%0.686SS**  trans50.6172.1138.2-52.9-20.8000122.1
1082D28.2Very low30.7Very low135 Ų135132.6 Ų132.672%0.72269%0.685SS**  cis-158.1-177.7-1.7-144.7-21.3000114.1
1083T29.6Very low30.6Very low105 Ų105133.5 Ų133.564%0.64469%0.686SS**  trans78106.315150.50000122.8
1084E27.5Very low30.6Very low169 Ų169135.1 Ų135.179%0.7969%0.687SS**  21.9141.2120.9-56.1-177.314200121.9
1085N31.1Very low30.5Very low148 Ų148132 Ų13279%0.79168%0.676SS**  -175.2110.9116.8-103.6-87.3000113.6
1086D28.3Very low30.2Very low131 Ų131132.3 Ų132.370%0.70169%0.688SS**  55125.5129.7-80.115.1000126.7
1087I27.7Very low30.1Very low137 Ų137135 Ų13570%0.70370%0.696SS**  trans77.7115.3132-61.5166.7000120.3
1088D32.9Very low30Very low168 Ų168137.3 Ų137.390%0.89870%0.703SS**  -154.8132.3118-113.5-21.6000110.3
1089D30.8Very low29.9Very low140 Ų140138.1 Ų138.175%0.74971%0.708SS**  trans-145138.3-175.3-177.727.8000108.1
1090P38.7Very low29.8Very low111 Ų111142.5 Ų142.572%0.72172%0.718SS**  -156.4163.6104.939.5-20.8000116.6
1091D31.4Very low29.7Very low101 Ų101144.3 Ų144.354%0.5472%0.722SS.*  158.3115.494-159.125.6000114
1092R31.2Very low29.6Very low202 Ų202144.5 Ų144.576%0.76272%0.723SS**  trans80.8141.1163.3-57.3168.2-143.9-179.913.2121
1093N30.3Very low29.8Very low121 Ų121145.2 Ų145.265%0.64773%0.727SS**  cis-174.1135.5-25.3-108.45.1000110.3
1094F31.8Very low29.6Very low169 Ų169148.3 Ų148.374%0.74173%0.734SS**  trans51.2147.2138.4-66.5-118.9000121.6
1095D29.1Very low29.8Very low117 Ų117146.8 Ų146.863%0.62673%0.731SS**  cis-172.1154.9-21.2-101.7-0.8000109.7
1096D29.8Very low29.6Very low152 Ų152145.4 Ų145.481%0.81373%0.733SS**  trans61.6-178.5144.9-64.5-6.4000125.1
1097E25.9Very low29.8Very low172 Ų172143 Ų14380%0.80474%0.738SS**  trans-100.7164-141-60.5-179.9125.900118.7
1098E27.1Very low29.7Very low168 Ų168144.6 Ų144.679%0.78575%0.749SS**  trans61.6155.4143.2-79.3-165.1161.500124.9
1099D27.3Very low29.5Very low102 Ų102139.9 Ų139.955%0.54574%0.739SS.*  trans87.3120150.8-89.5-31.9000124.5
1100R29.2Very low29.5Very low180 Ų180139.5 Ų139.568%0.67975%0.747SS**  trans68.9109143.7-62.8-175-16180.626.4123.2
1101E26.7Very low29.1Very low163 Ų163137.8 Ų137.876%0.76275%0.749SS**  58.4136.6112.4-66.3173.8146.300122.9
1102D28.2Very low29Very low144 Ų144139.9 Ų139.977%0.7776%0.758SS**  trans89.8140.1148.6-61.7-13.2000124.7
1103D30.9Very low29Very low149 Ų149136 Ų13680%0.79776%0.758SS**  trans61.388.3154.7-68.7-3.7000123.8
1104E26.8Very low28.9Very low170 Ų170135 Ų13579%0.79476%0.759SS**  48.4146.2112.5-131.1-171.4-136.600123.8
1105L30.5Very low28.9Very low137 Ų137135 Ų13572%0.71777%0.765SS**  trans87.8109.4156.4-58.7172000122.1
1106S27.3Very low28.9Very low120 Ų120133.2 Ų133.284%0.83978%0.775SS**  59.6125.3128.4-55.40000122
1107G31.6Very low28.9Very low79 Ų79129.6 Ų129.681%0.81477%0.773SS**  trans-179.971.5166.800000116.3
1108D27.5Very low29.2Very low172 Ų172126.7 Ų126.792%0.9278%0.779SS**  trans-70.6125.2179.9-81.7-59.6000114.9
1109G28.4Very low29.3Very low68 Ų68122.9 Ų122.970%0.70179%0.785SS**  74.915011000000121.9
1110C29.4Very low29.5Very low133 Ų133122 Ų12290%0.89980%0.799SS**  trans-157.9129153.6-1020000110.8
1111G30.5Very low29.5Very low74 Ų74124.3 Ų124.376%0.76381%0.808SS**  trans-176.79.7-17500000118.4
1112I30.2Very low29.5Very low145 Ų145122.7 Ų122.774%0.74481%0.805SS**  trans-10.6132.2160.813.9173.2000116.4
1113T30.6Very low29.5Very low122 Ų122123 Ų12375%0.74881%0.805SS**  cis-156.4135.248.745.20000112
1114S28.6Very low29.4Very low98 Ų98123.8 Ų123.869%0.68581%0.808SS**  74.914985.6-39.40000115
1115I30.6Very low29.4Very low169 Ų169124 Ų12487%0.86781%0.809SS**  cis-149.6138.624.1-59.5167.1000112.4
1116G29.7Very low29.4Very low80 Ų80125.2 Ų125.283%0.82582%0.815SS**  trans80152.9151.800000119.3
1117G30.2Very low29.4Very low76 Ų76123.6 Ų123.678%0.78480%0.804SS**  cis170.6137.4-11.600000114.9
1118A32.8Very low29.2Very low111 Ų111129.2 Ų129.292%0.91781%0.809SS**  trans56.2127167.200000120
1119G27.9Very low29.3Very low89 Ų89123.7 Ų123.792%0.91879%0.793SS**  trans-90-178.9-174.200000117.2
1120G31.1Very low29.2Very low82 Ų82127.3 Ų127.385%0.84580%0.802SS**  trans-159.6162.4-178.600000112.9
1121R30.1Very low29.3Very low230 Ų230123.8 Ų123.887%0.86879%0.788SS**  trans-90158.5-170.7-71.2-177-176.4135.6-2114.6
1122D27.4Very low29.3Very low129 Ų129128.7 Ų128.769%0.6979%0.791SS**  trans45.9130.7135.8-56.2-30.3000122.3
1123I27.4Very low29.1Very low150 Ų150125.9 Ų125.977%0.76978%0.784SS**  trans65.6102.7141.1-61.7163000117.7
1124L28.6Very low28.9Very low165 Ų165124 Ų12486%0.86478%0.775SS**  -167156.7112.4-108.3165.9000112.5
1125E27.4Very low28.9Very low175 Ų175127.7 Ų127.782%0.81878%0.78SS**  trans-78.7163166.3-62.8173110.300111.2
1126L30.1Very low28.8Very low162 Ų162124.4 Ų124.485%0.84877%0.767SS**  trans146.993.8159.7-82.2165.6000105.8
1127S26.5Very low28.7Very low86 Ų86126.2 Ų126.260%0.60177%0.766SS**  67.5123.97776.90000113.8
1128E29Very low28.6Very low198 Ų198126.9 Ų126.993%0.92576%0.759SS**  trans68.4144.9170.1-55.1173.8-174.100115.7
1129G27.9Very low28.4Very low56 Ų56127.6 Ų127.658%0.57775%0.752SS**  cis143.5131.9-5.700000112.1
1130T27.4Very low28.4Very low144 Ų144127.7 Ų127.788%0.88374%0.738SS**  trans63.2165.2-179.3770000114.7
1131G31.8Very low28.4Very low59 Ų59127.8 Ų127.861%0.60873%0.726SS**  cis-125.6154.8-9.500000110.5
1132H29.3Very low28.3Very low177 Ų177126.1 Ų126.182%0.81972%0.721SS**  65.4137.856.7-70.3-132.8000113.2
1133S26.7Very low28.6Very low85 Ų85126.8 Ų126.859%0.59472%0.72SS**  cis-175.2-178.4-12.457.80000109.5
1134S26.5Very low28.8Very low82 Ų82125.9 Ų125.957%0.57371%0.71SS**  trans64.1169.6156.340.70000115.5
1135F29.4Very low28.5Very low177 Ų177122.6 Ų122.678%0.77670%0.701SS**  cis-134.7124.225.9-87.2-106.8000111.6
1136T27.6Very low28.6Very low99 Ų99120.4 Ų120.461%0.60769%0.691SS**  68.8143.882.476.80000116.7
1137C28Very low28.2Very low118 Ų118122.3 Ų122.380%0.79769%0.688SS**  -166.6150.9118.4-96.80000107.9
1138S27.6Very low27.9Very low91 Ų91124.6 Ų124.664%0.63669%0.69SS**  cis-170.9170-13-1130000105.7
1139T29.4Very low28Very low125 Ų125120.9 Ų120.977%0.76769%0.685SS**  cis-160161.6125.50000104.8
1140S28.1Very low27.8Very low91 Ų91125 Ų12564%0.63669%0.69SS**  cis-173.5155.93.643.60000108.9
1141S30.3Very low27.6Very low84 Ų84121.4 Ų121.459%0.58767%0.67SS**  trans64.8161.2143-690000118.1
1142Y28.3Very low27.4Very low195 Ų195124 Ų12477%0.76567%0.67SS**  cis-152.9158-20.2-100.1-45.2000102.6
1143H32.6Very low27.6Very low143 Ų143122.4 Ų122.466%0.66266%0.663SS**  cis-162.9-158.519.3-138.5-45.4000108.4
1144K32Very low27.8Very low131 Ų131123.6 Ų123.657%0.5767%0.667SS**  trans20.6126.7146.1-72.4166.3154.9-78.70119.3E1146K1144-E1146 IonicContact NZ-OE1 2.89Å; K1144-E1146 PolarHBondContact NZ-OE1 3.4Å; K1144-E1146 IonicContact NZ-OE2 2.67Å; K1144-E1146 PolarHBondContact NZ-OE2 3.08Å
1145S23.5Very low28.1Very low97 Ų97124.6 Ų124.668%0.67867%0.674SS**  cis62.2160.144.289.30000114.9
1146E27.8Very low28Very low128 Ų128120.4 Ų120.460%0.59867%0.672SS**  trans63.7114.3-169.9-63.8121.9131.900112.7K1144K1144-E1146 IonicContact NZ-OE1 2.89Å; K1144-E1146 PolarHBondContact NZ-OE1 3.4Å; K1144-E1146 IonicContact NZ-OE2 2.67Å; K1144-E1146 PolarHBondContact NZ-OE2 3.08Å
1147Y22Very low28.1Very low202 Ų202121.2 Ų121.279%0.79268%0.677SS**  71.4151.869.5-95.4-101.8000113.9
1148E21.5Very low28.3Very low134 Ų134121 Ų12163%0.62667%0.672SS**  trans51.595.4166.4-77.5126.5-148.400114.4E1150E1148-E1150 HydrophobicContact CB-CG 4.29Å; E1148-E1150 PolarHBondContact O-N 3.25Å
1149S30.5Very low28.2Very low120 Ų120120.7 Ų120.784%0.83967%0.67SS**  cis46.821.837.9104.10000113.8
1150E22.9Very low28.3Very low143 Ų143122 Ų12267%0.66867%0.667SS**  trans-78.6122.5148.4-82.1-83.6128.600106.6E1148E1148-E1150 HydrophobicContact CB-CG 4.29Å; E1148-E1150 PolarHBondContact O-N 3.25Å
1151S23.3Very low28.3Very low68 Ų68124 Ų12448%0.47667%0.67SS.*  72135.179.1120.20000111
1152N28Very low28.3Very low113 Ų113126.1 Ų126.160%0.60468%0.675SS**  cis-155.8166.510.7-106.6-31.5000109.4
1153H33.7Very low28.3Very low145 Ų145120.8 Ų120.867%0.67166%0.662SS**  cis-154.416414.5-129.3-15.9000110.9
1154T30Very low27.8Very low110 Ų110120.1 Ų120.168%0.67567%0.669SS**  trans10.8124.7149.6580000117.7
1155S32.6Very low27.6Very low103 Ų103120.2 Ų120.272%0.7267%0.674SS**  -159.314861.9-64.30000109.3
1156A27.9Very low27.5Very low88 Ų88120.6 Ų120.673%0.72768%0.677SS**  56.9136.159.900000111.7
1157T30.5Very low27.4Very low116 Ų116120.1 Ų120.171%0.71268%0.683SS**  cis-142.5177.721.650.80000112.3
1158T31.8Very low27.4Very low113 Ų113114.9 Ų114.969%0.69368%0.676SS**  trans57.7109.4147.347.10000117.3
1159S25.5Very low27.5Very low85 Ų85114.7 Ų114.759%0.59468%0.684SS**  58.3144.375.583.30000112.9
1160H30.5Very low27.3Very low153 Ų153114.5 Ų114.571%0.70868%0.678SS**  cis-176.3152.146.1-131.2-45.7000108.8
1161L29.7Very low27.3Very low133 Ų133112 Ų11270%0.69668%0.676SS**  trans70.7153.3156.4-51165000114.9
1162N29Very low27.4Very low129 Ų129114.4 Ų114.469%0.6969%0.688SS**  cis-159.2165.2-8.1-124.41000113.2
1163T28.3Very low27.3Very low82 Ų82114.4 Ų114.450%0.50369%0.692SS.*  trans37.3119.3145.8-220000118.5I1165T1163-I1165 HydrophobicContact CG2-CD1 3.85Å; T1163-I1165 HydrophobicContact CG2-CG1 4.21Å
1164T23.1Very low27.1Very low130 Ų130112.7 Ų112.780%0.79869%0.692SS**  43.8163.471.555.50000116.3
1165I27.4Very low27Very low132 Ų132113.7 Ų113.768%0.67769%0.693SS**  trans79.7113.2-167.8-52.5159.8000110T1163T1163-I1165 HydrophobicContact CG2-CD1 3.85Å; T1163-I1165 HydrophobicContact CG2-CG1 4.21Å
1166S21.8Very low26.9Very low106 Ų106114.7 Ų114.774%0.74169%0.691SS**  cis74.9157.743.3-46.80000113.5
1167T26.1Very low26.9Very low118 Ų118116.8 Ų116.872%0.72469%0.69SS**  trans57.5106.4175.753.60000116.3
1168S22.4Very low26.9Very low92 Ų92119.2 Ų119.264%0.64369%0.692SS**  75.4142.868.674.70000115.6
1169T23.3Very low26.9Very low130 Ų130118.8 Ų118.880%0.79869%0.694SS**  trans72.7149.1174.572.90000115.1
1170T25.4Very low27.1Very low116 Ų116118.7 Ų118.771%0.71270%0.698SS**  cis-157.2163.28-13.70000112.9
1171S23.2Very low27.1Very low90 Ų90118.4 Ų118.463%0.62970%0.702SS**  trans7.7151.9141.266.70000121.9
1172T25.9Very low27Very low119 Ų119121 Ų12173%0.7371%0.707SS**  cis-177.1-179.84.4240000111.5
1173T24.7Very low26.8Very low113 Ų113120.5 Ų120.569%0.69371%0.709SS**  trans76.6100.3142.537.20000122.3
1174T30.4Very low26.8Very low109 Ų109123 Ų12367%0.66972%0.719SS**  40.2124.9118.360.60000122
1175N27.7Very low27Very low131 Ų131122 Ų12270%0.70171%0.709SS**  171.6134.6102.5-91.5-40.3000116.1
1176N29.8Very low26.9Very low124 Ų124125.6 Ų125.666%0.66372%0.715SS**  trans31.3127.5135.1-45.7-17.8000121.8
1177N27.7Very low27Very low132 Ų132124.9 Ų124.971%0.70671%0.711SS**  166.9148.997.6-89.9-54.6000115.1
1178H31.9Very low27Very low167 Ų167123.4 Ų123.477%0.77371%0.705SS**  trans62.9152.9160-62.7-39.2000118.5
1179S31.7Very low27Very low104 Ų104126 Ų12673%0.72771%0.711SS**  cis-176.6159.9-17.2-91.90000107.3
1180A28.6Very low27.1Very low82 Ų82125.2 Ų125.268%0.67870%0.703SS**  cis-173.3-169.3-17.900000107.6
1181N30.8Very low26.9Very low147 Ų147126 Ų12679%0.78670%0.698SS**  trans71.6144.3175-71.1-38.1000117.6
1182K28.9Very low26.9Very low187 Ų187124.3 Ų124.381%0.81368%0.681SS**  cis-158.1152.3-25-151170.5-174.2172.60112.6
1183V23.7Very low26.8Very low119 Ų119121.1 Ų121.172%0.72166%0.66SS**  trans-66.7154175.4-167.30000113.7
1184N27.4Very low26.7Very low134 Ų134118.4 Ų118.472%0.71764%0.638SS**  trans137.8138.1150-71.9-4.7000110.5
1185N28.2Very low26.5Very low109 Ų109115.8 Ų115.858%0.58362%0.62SS**  cis-165.7144.218.6-120.9-0.5000112.2
1186Y26.2Very low26.4Very low208 Ų208114 Ų11482%0.81661%0.611SS**  trans57.7165.6159.9-57.1-61.3000120.1
1187S23.6Very low26.2Very low92 Ų92114 Ų11464%0.64361%0.611SS**  cis-172.5148-38.5-177.10000111.1
1188S25.6Very low26Very low87 Ų87112.9 Ų112.961%0.60861%0.613SS**  trans54.7111.1147.7550000122
1189N23.2Very low25.6Very low145 Ų145110.5 Ų110.578%0.77561%0.611SS**  82.2126.8121.3-6211.3000122.6
1190N23.6Very low25.3Very low115 Ų115112 Ų11262%0.61562%0.615SS**  trans71.6121.1140.2-7652.8000120.5
1191E22.3Very low25.1Very low132 Ų132115.3 Ų115.362%0.61762%0.617SS**  trans77118.3138.2-66175.5-153.400116.1
1192I23.7Very low24.9Very low54 Ų54113.4 Ų113.428%0.27762%0.621SS.*  cis-177.6-151.86.1-134170.3000109.2N337 Y338 S339 Q340N337-I1192 VanDerWaalsContact C-CG2 3.43Å; N337-I1192 WeakPolarHBondContact O-CG2 3.47Å; Y338-I1192 WeakPolarHBondContact O-CG2 3.33Å; S339-I1192 VanDerWaalsContact C-CG1 3.5Å; S339-I1192 WeakPolarHBondContact O-CG1 3.49Å; S339-I1192 WeakPolarHBondContact O-CG2 3.4Å; Q340-I1192 VanDerWaalsContact C-CD1 3.44Å; Q340-I1192 HydrophobicContact CB-CG1 4.29Å; Q340-I1192 WeakPolarHBondContact O-CD1 3.33Å; Q340-I1192 WeakPolarHBondContact O-CG1 3.41Å
1193L22.3Very low24.6Very low53 Ų53110.6 Ų110.628%0.27762%0.615SS.*  trans90.5-174.5162.2-161.759.4000117.3N337 Y338 S339 R1269 D1270N337-L1193 HydrophobicContact CB-CB 3.79Å; N337-L1193 HydrophobicContact CB-CD2 3.58Å; N337-L1193 HydrophobicContact CB-CG 4.37Å; N337-L1193 VanDerWaalsContact OD1-CD2 3.28Å; N337-L1193 WeakPolarHBondContact OD1-CD2 3.39Å; Y338-L1193 WeakPolarHBondContact O-CA 3.12Å; Y338-L1193 WeakPolarHBondContact O-CB 3.36Å; Y338-L1193 WeakPolarHBondContact O-CD1 3.28Å; S339-L1193 PolarHBondContact O-N 2.97Å; S339-L1193 VanDerWaalsContact O-N 3.15Å; L1193-R1269 WeakPolarHBondContact CD2-O 3.4Å; L1193-D1270 HydrophobicContact CD1-CB 4.03Å
1194F23.3Very low24.5Very low55 Ų55108.6 Ų108.624%0.24162%0.619CS.*  -143.3-161.8-119.8-158.62.2000113.8R1269 D1270 E1271 Q1602F1194-R1269 PolarHBondContact O-NE 3.35Å; F1194-R1269 PolarHBondContact O-NH2 2.63Å; F1194-D1270 HydrophobicContact CB-CB 3.76Å; F1194-D1270 WeakPolarHBondContact CB-OD2 3.4Å; F1194-D1270 WeakPolarHBondContact CD1-OD2 3.31Å; F1194-D1270 HydrophobicContact CD2-CB 4.24Å; F1194-D1270 VanDerWaalsContact CD2-OD2 3.31Å; F1194-D1270 WeakPolarHBondContact CD2-OD2 3.49Å; F1194-D1270 HydrophobicContact CG-CB 4.23Å; F1194-D1270 WeakPolarHBondContact CG-OD2 3.38Å; F1194-E1271 HydrophobicContact CD2-CB 4.34Å; F1194-E1271 HydrophobicContact CE2-CB 3.93Å; F1194-E1271 HydrophobicContact CZ-CB 4.38Å; F1194-Q1602 VanDerWaalsContact CE1-NE2 3.3Å
1195N25.7Very low24.4Very low54 Ų54110.3 Ų110.329%0.28962%0.62SS.*  trans-64-178-172.5-75.1-27000113.7R1269 D1270 E1271N1195-R1269 VanDerWaalsContact C-CZ 3.48Å; N1195-R1269 WeakPolarHBondContact O-CB 3.38Å; N1195-R1269 WeakPolarHBondContact O-CD 3.42Å; N1195-R1269 WeakPolarHBondContact O-CG 3.4Å; N1195-R1269 VanDerWaalsContact O-CZ 3.28Å; N1195-R1269 PolarHBondContact O-NE 2.91Å; N1195-R1269 PolarHBondContact O-NH2 2.69Å; N1195-D1270 VanDerWaalsContact CA-OD2 3.28Å; N1195-D1270 WeakPolarHBondContact CA-OD2 3.45Å; N1195-D1270 WeakPolarHBondContact CB-OD2 3.5Å; N1195-D1270 PolarHBondContact N-OD2 2.88Å; N1195-E1271 WeakPolarHBondContact CB-OE2 3.49Å; N1195-E1271 PolarHBondContact ND2-OE2 3.18Å
1196N26.9Very low24.2Very low93 Ų93116.8 Ų116.850%0.49764%0.636SS.*  cis-151.1176.9-26.1-113.3-35.8000107
1197N25.8Very low24.1Very low125 Ų125115 Ų11567%0.66863%0.633SS**  cis-155.3153.9-32.9-161.9-78000107.3T1199N1197-T1199 PolarHBondContact OD1-N 2.82Å
1198S22.1Very low24.2Very low108 Ų108113.1 Ų113.176%0.75563%0.628SS**  trans-160.589.3159.2660000114.4
1199T23.9Very low24.3Very low117 Ų117114.6 Ų114.672%0.71863%0.625SS**  trans21.2126136.957.10000121.2N1197N1197-T1199 PolarHBondContact OD1-N 2.82Å
1200T25.3Very low24.8Very low135 Ų135111 Ų11183%0.82861%0.605SS**  trans-131.9111.4134.837.10000107.4
1201H24.7Very low25.1Very low153 Ų153109.5 Ų109.571%0.70859%0.594SS**  79.399.691.2-96.3-58000115.9N1203H1201-N1203 PolarHBondContact CE1-OD1 3.27Å; H1201-N1203 PolarHBondContact ND1-OD1 3.35Å
1202A26Very low25.4Very low106 Ų106106.5 Ų106.588%0.87658%0.584SS**  trans-139.2127.1145.700000107.1
1203N24.1Very low25.5Very low129 Ų129106.1 Ų106.169%0.6958%0.584SS**  trans-102.8137.7-166.3-68.3-21.1000112.5H1201H1201-N1203 PolarHBondContact CE1-OD1 3.27Å; H1201-N1203 PolarHBondContact ND1-OD1 3.35Å
1204G21.7Very low25.5Very low77 Ų77107.3 Ų107.379%0.79460%0.597SS**  trans-159.637.9-178.600000114.7R1206G1204-R1206 PolarHBondContact O-N 3.09Å
1205F24.1Very low25.7Very low170 Ų170109.2 Ų109.275%0.74661%0.613SS**  trans-78119.4-174.6-83.1-81.6000113.7F1207F1205-F1207 HydrophobicContact CB-CD2 4.32Å; F1205-F1207 AromaticContact CD1-CD2 3.84Å; F1205-F1207 HydrophobicContact CD1-CD2 3.84Å; F1205-F1207 AromaticContact CD1-CE2 3.38Å; F1205-F1207 HydrophobicContact CD1-CE2 3.38Å; F1205-F1207 HydrophobicContact CD1-CZ 4.23Å; F1205-F1207 AromaticContact CE1-CE2 3.73Å; F1205-F1207 HydrophobicContact CE1-CE2 3.73Å; F1205-F1207 HydrophobicContact CE1-CZ 4.23Å; F1205-F1207 HydrophobicContact CG-CD2 4.4Å; F1205-F1207 HydrophobicContact CG-CE2 4.17Å
1206R24.6Very low25.8Very low245 Ų245114.5 Ų114.593%0.92564%0.636SS**  trans-105.2105.4154.6-82.8-168.8172.8-158.3-0.2109.8G1204G1204-R1206 PolarHBondContact O-N 3.09Å
1207F24.3Very low25.8Very low171 Ų171118.8 Ų118.875%0.7565%0.653SS**  trans-89.2111.9173.5-97.3-79.9000111.5F1205F1205-F1207 HydrophobicContact CB-CD2 4.32Å; F1205-F1207 AromaticContact CD1-CD2 3.84Å; F1205-F1207 HydrophobicContact CD1-CD2 3.84Å; F1205-F1207 AromaticContact CD1-CE2 3.38Å; F1205-F1207 HydrophobicContact CD1-CE2 3.38Å; F1205-F1207 HydrophobicContact CD1-CZ 4.23Å; F1205-F1207 AromaticContact CE1-CE2 3.73Å; F1205-F1207 HydrophobicContact CE1-CE2 3.73Å; F1205-F1207 HydrophobicContact CE1-CZ 4.23Å; F1205-F1207 HydrophobicContact CG-CD2 4.4Å; F1205-F1207 HydrophobicContact CG-CE2 4.17Å
1208G24.9Very low26Very low52 Ų52116.9 Ų116.954%0.53664%0.643SS.*  trans-159.28.2169.200000113.8T1212G1208-T1212 PolarHBondContact O-OG1 3.38Å
1209Q28.6Very low26.5Very low117 Ų117120.4 Ų120.455%0.54764%0.641SS.*  trans-110.281.7-166.1-71.5-169.4-8.700112.6T1212 T1213Q1209-T1212 WeakPolarHBondContact CA-OG1 3.25Å; Q1209-T1213 HydrophobicContact CB-CG2 3.68Å; Q1209-T1213 HydrophobicContact CG-CG2 3.58Å
1210I32.4Very low26.8Very low69 Ų69120.2 Ų120.235%0.35463%0.63SS.*SBendtrans-125.1-36.1161.4-62.7-176.9000111.1
1211F30.3Very low27.1Very low85 Ų85116.7 Ų116.737%0.37361%0.608SS.*SBendtrans-115.5-6.1174-72.1-74.6000115.2W1391 E1421F1211-W1391 HydrophobicContact CD1-CB 4.14Å; F1211-W1391 AromaticContact CD1-CD1 3.68Å; F1211-W1391 AromaticContact CD1-CG 3.84Å; F1211-W1391 HydrophobicContact CD1-CG 3.84Å; F1211-W1391 HydrophobicContact CE1-CG 4.42Å; F1211-E1421 WeakPolarHBondContact CE1-OE2 3.47Å; F1211-E1421 HydrophobicContact CZ-CG 4.48Å; F1211-E1421 VanDerWaalsContact CZ-OE2 3.28Å; F1211-E1421 WeakPolarHBondContact CZ-OE2 3.43Å
1212T28.3Very low27.6Very low69 Ų69113.7 Ų113.742%0.42360%0.6SS.*  trans-99.83.4-168.656.30000115.1G1208 Q1209 S1214G1208-T1212 PolarHBondContact O-OG1 3.38Å; Q1209-T1212 WeakPolarHBondContact CA-OG1 3.25Å; T1212-S1214 PolarHBondContact O-N 2.97Å
1213T25.7Very low28Very low45 Ų45113.5 Ų113.528%0.27658%0.581SS.*SBendtrans-86.343.4-175.6480000114.4Q1209Q1209-T1213 HydrophobicContact CB-CG2 3.68Å; Q1209-T1213 HydrophobicContact CG-CG2 3.58Å
1214S24Very low28.6Very low79 Ų79112.1 Ų112.155%0.55258%0.577SS**SBendtrans-159.8138.6156.8-168.50000108.8T1212T1212-S1214 PolarHBondContact O-N 2.97Å
1215V27.1Very low29.2Very low95 Ų95111.8 Ų111.858%0.57656%0.56SS**SBendtrans69.1118.7-167.7-168.30000113.1
1216E26.2Very low29.8Very low165 Ų165109.7 Ų109.777%0.77155%0.552SS**  trans-85.3155.3170.9-63.8173.1128.600110.1
1217H27.3Very low30.6Very low182 Ų182104.4 Ų104.484%0.84354%0.536SS*.  trans7687.8179.8-44.884.8000116.6
1218D30.5Very low31Very low86 Ų86101.6 Ų101.646%0.4652%0.524SS..  -155.5137.6112-150-30.1000111.1K1220D1218-K1220 PolarHBondContact OD1-N 2.78Å
1219Y32.5Very low31.7Very low181 Ų181101 Ų10171%0.7151%0.508SS*.SBendtrans-81.5-23.5-179.141.4-86.7000112.2V1221 V1222Y1219-V1221 VanDerWaalsContact C-N 3.29Å; Y1219-V1221 PolarHBondContact O-N 2.79Å; Y1219-V1222 PolarHBondContact O-N 2.7Å
1220K29.4Very low32.1Very low114 Ų11499.5 Ų99.550%0.49651%0.508SS..Hα-helixtrans-64.6-28.1-176.1-64.5169.4-175.2167.20113.8D1218 V1222 E1223 V1224D1218-K1220 PolarHBondContact OD1-N 2.78Å; K1220-V1222 VanDerWaalsContact C-N 3.32Å; K1220-V1222 PolarHBondContact O-N 3.37Å; K1220-E1223 PolarHBondContact O-N 3.08Å; K1220-V1224 PolarHBondContact O-N 2.85Å
1221V33Very low32.5Very low61 Ų61100.6 Ų100.637%0.3751%0.51SS..Hα-helixtrans-63.5-36.9-178.7-177.90000111.9Y1219 E1223 V1224 V1225Y1219-V1221 VanDerWaalsContact C-N 3.29Å; Y1219-V1221 PolarHBondContact O-N 2.79Å; V1221-E1223 VanDerWaalsContact C-N 3.33Å; V1221-E1223 PolarHBondContact O-N 3.03Å; V1221-V1224 PolarHBondContact O-N 3.02Å; V1221-V1225 WeakPolarHBondContact O-CG2 3.39Å; V1221-V1225 PolarHBondContact O-N 2.92Å; V1221-V1225 VanDerWaalsContact O-N 3.15Å
1222V34.6Very low32.8Very low89 Ų8999.1 Ų99.154%0.53951%0.506SS..Hα-helixtrans-64.3-39.4-179.3-179.10000111.3Y1219 K1220 V1225 Q1226Y1219-V1222 PolarHBondContact O-N 2.7Å; K1220-V1222 VanDerWaalsContact C-N 3.32Å; K1220-V1222 PolarHBondContact O-N 3.37Å; V1222-V1225 PolarHBondContact O-N 3.42Å; V1222-Q1226 WeakPolarHBondContact O-CB 3.28Å; V1222-Q1226 WeakPolarHBondContact O-CG 3.41Å; V1222-Q1226 PolarHBondContact O-N 3.48Å
1223E35Very low33.5Very low103 Ų10399 Ų9948%0.48150%0.5SS..Hα-helixtrans-67.6-40.3-179-162.3-16715500112.1K1220 V1221 Q1226 K1227K1220-E1223 PolarHBondContact O-N 3.08Å; V1221-E1223 VanDerWaalsContact C-N 3.33Å; V1221-E1223 PolarHBondContact O-N 3.03Å; E1223-Q1226 PolarHBondContact O-N 3.23Å; E1223-K1227 WeakPolarHBondContact O-CG 3.44Å; E1223-K1227 PolarHBondContact O-N 2.82Å; E1223-K1227 VanDerWaalsContact O-N 3.14Å; E1223-K1227 VanDerWaalsContact OE1-CE 3.28Å; E1223-K1227 WeakPolarHBondContact OE1-CE 3.27Å; E1223-K1227 IonicContact OE1-NZ 2.98Å; E1223-K1227 PolarHBondContact OE1-NZ 3.45Å
1224V36Very low34.4Very low99 Ų99104.6 Ų104.660%0.652%0.516SS*.Hα-helixtrans-64.4-45.2176177.90000110.8K1220 V1221 Q1226 K1227 F1228K1220-V1224 PolarHBondContact O-N 2.85Å; V1221-V1224 PolarHBondContact O-N 3.02Å; V1224-Q1226 PolarHBondContact O-N 3.27Å; V1224-K1227 PolarHBondContact O-N 2.92Å; V1224-F1228 PolarHBondContact O-N 3.36Å
1225V35.3Very low35Very low71 Ų71103.7 Ų103.743%0.4351%0.509SS..Hα-helixtrans-61.3-45.1176.7171.80000111.1V1221 V1222 K1227 F1228 I1229V1221-V1225 WeakPolarHBondContact O-CG2 3.39Å; V1221-V1225 PolarHBondContact O-N 2.92Å; V1221-V1225 VanDerWaalsContact O-N 3.15Å; V1222-V1225 PolarHBondContact O-N 3.42Å; V1225-K1227 VanDerWaalsContact C-N 3.3Å; V1225-K1227 PolarHBondContact O-N 3.05Å; V1225-F1228 PolarHBondContact O-N 3.14Å; V1225-F1228 VanDerWaalsContact O-N 3.12Å; V1225-I1229 WeakPolarHBondContact O-CG1 3.39Å; V1225-I1229 PolarHBondContact O-N 3.32Å
1226Q36.1Very low35.6Very low125 Ų125100.9 Ų100.958%0.58449%0.491SS*.Hα-helixtrans-61-36178.9-78.5-178.1-19.700113.2V1222 E1223 V1224 F1228V1222-Q1226 WeakPolarHBondContact O-CB 3.28Å; V1222-Q1226 WeakPolarHBondContact O-CG 3.41Å; V1222-Q1226 PolarHBondContact O-N 3.48Å; E1223-Q1226 PolarHBondContact O-N 3.23Å; V1224-Q1226 PolarHBondContact O-N 3.27Å; Q1226-F1228 VanDerWaalsContact C-N 3.28Å; Q1226-F1228 PolarHBondContact O-N 3.45Å
1227K40.2Very low36.4Very low135 Ų13596.8 Ų96.859%0.58748%0.481SS*.Hα-helixtrans-70.6-18.6177.1-71.8172.5-175173.30114E1223 V1224 V1225E1223-K1227 WeakPolarHBondContact O-CG 3.44Å; E1223-K1227 PolarHBondContact O-N 2.82Å; E1223-K1227 VanDerWaalsContact O-N 3.14Å; E1223-K1227 VanDerWaalsContact OE1-CE 3.28Å; E1223-K1227 WeakPolarHBondContact OE1-CE 3.27Å; E1223-K1227 IonicContact OE1-NZ 2.98Å; E1223-K1227 PolarHBondContact OE1-NZ 3.45Å; V1224-K1227 PolarHBondContact O-N 2.92Å; V1225-K1227 VanDerWaalsContact C-N 3.3Å; V1225-K1227 PolarHBondContact O-N 3.05Å
1228F33.9Very low37.2Very low111 Ų11192.4 Ų92.449%0.48746%0.46SS..Hα-helixtrans-94.6-30.7-174.8-133.3-87.5000114.6V1224 V1225 Q1226 P1230 K1231 L1232V1224-F1228 PolarHBondContact O-N 3.36Å; V1225-F1228 PolarHBondContact O-N 3.14Å; V1225-F1228 VanDerWaalsContact O-N 3.12Å; Q1226-F1228 VanDerWaalsContact C-N 3.28Å; Q1226-F1228 PolarHBondContact O-N 3.45Å; F1228-P1230 VanDerWaalsContact C-N 3.34Å; F1228-K1231 PolarHBondContact O-N 2.93Å; F1228-K1231 VanDerWaalsContact O-N 3.13Å; F1228-L1232 PolarHBondContact O-N 2.87Å
1229I39.3Very low37.6Very low40 Ų4091.3 Ų91.321%0.20545%0.454CS..Hα-helixtrans-50.6-42.7-179.2-57.6154.7000113.2V1225 K1231 L1232 K1233 H1495V1225-I1229 WeakPolarHBondContact O-CG1 3.39Å; V1225-I1229 PolarHBondContact O-N 3.32Å; I1229-K1231 PolarHBondContact O-N 3.1Å; I1229-L1232 PolarHBondContact O-N 3.46Å; I1229-K1233 HydrophobicContact CG2-CD 4.25Å; I1229-K1233 HydrophobicContact CG2-CG 4.4Å; I1229-K1233 PolarHBondContact O-N 3.3Å; I1229-H1495 WeakPolarHBondContact CD1-CE1 3.11Å; I1229-H1495 WeakPolarHBondContact CD1-NE2 3.34Å
1230P37.6Very low37.9Very low85 Ų8586.4 Ų86.455%0.55245%0.445SS*.Hα-helixtrans-66.3-36.1-178.4-21.234.6000113.3F1228 R1234F1228-P1230 VanDerWaalsContact C-N 3.34Å; P1230-R1234 WeakPolarHBondContact O-CB 3.3Å; P1230-R1234 PolarHBondContact O-N 2.92Å; P1230-R1234 VanDerWaalsContact O-N 3.09Å
1231K40.2Very low38.7Very low93 Ų9384.4 Ų84.440%0.40445%0.446SS..Hα-helixtrans-67-43.4178.2-62.7-160.5179.4-160.60111T189 F1228 I1229 R1234 S1235T189-K1231 PolarHBondContact OG1-NZ 2.96Å; F1228-K1231 PolarHBondContact O-N 2.93Å; F1228-K1231 VanDerWaalsContact O-N 3.13Å; I1229-K1231 PolarHBondContact O-N 3.1Å; K1231-R1234 WeakPolarHBondContact O-CB 3.14Å; K1231-R1234 PolarHBondContact O-N 2.93Å; K1231-S1235 PolarHBondContact O-N 3.42Å; K1231-S1235 VanDerWaalsContact O-N 3.15Å; K1231-S1235 PolarHBondContact O-OG 3.46Å
1232L37.6Very low39.2Very low53 Ų5386 Ų8628%0.27745%0.448SS..Hα-helixtrans-67.3-42.9179.8-148.8169.8000111.5F1228 I1229 R1234 S1235 L1236 V1498F1228-L1232 PolarHBondContact O-N 2.87Å; I1229-L1232 PolarHBondContact O-N 3.46Å; L1232-R1234 VanDerWaalsContact C-N 3.26Å; L1232-R1234 PolarHBondContact O-N 3.34Å; L1232-S1235 PolarHBondContact O-N 3.39Å; L1232-L1236 HydrophobicContact CD2-CD1 3.4Å; L1232-L1236 VanDerWaalsContact CD2-CD1 3.4Å; L1232-L1236 HydrophobicContact CD2-CG 4.03Å; L1232-L1236 PolarHBondContact O-N 3.12Å; L1232-V1498 HydrophobicContact CD1-CG1 4.43Å; L1232-V1498 HydrophobicContact CD2-CG1 3.63Å; L1232-V1498 HydrophobicContact CD2-CG2 4.43Å
1233K41.5Very low39.4Very low67 Ų6785.5 Ų85.529%0.29144%0.442SS..Hα-helixtrans-58.2-36.2171.3-78-172.9177.2-178.80112.5I1229 S1237 L1493 V1498I1229-K1233 HydrophobicContact CG2-CD 4.25Å; I1229-K1233 HydrophobicContact CG2-CG 4.4Å; I1229-K1233 PolarHBondContact O-N 3.3Å; K1233-S1237 WeakPolarHBondContact O-CB 3.45Å; K1233-S1237 PolarHBondContact O-N 3.42Å; K1233-L1493 PolarHBondContact NZ-O 3.32Å; K1233-V1498 HydrophobicContact CG-CG2 4.1Å
1234R44.5Very low39.7Very low162 Ų16288.8 Ų88.861%0.61146%0.455SS*.Hα-helixtrans-66.4-51.8178.5-178.2170.9-179.6143.48.1112.4P1230 K1231 L1232 L1236 S1237 E1238P1230-R1234 WeakPolarHBondContact O-CB 3.3Å; P1230-R1234 PolarHBondContact O-N 2.92Å; P1230-R1234 VanDerWaalsContact O-N 3.09Å; K1231-R1234 WeakPolarHBondContact O-CB 3.14Å; K1231-R1234 PolarHBondContact O-N 2.93Å; L1232-R1234 VanDerWaalsContact C-N 3.26Å; L1232-R1234 PolarHBondContact O-N 3.34Å; R1234-L1236 VanDerWaalsContact C-N 3.3Å; R1234-L1236 PolarHBondContact O-N 3.18Å; R1234-S1237 WeakPolarHBondContact O-CB 3.31Å; R1234-S1237 PolarHBondContact O-N 3.27Å; R1234-S1237 VanDerWaalsContact O-N 3.13Å; R1234-E1238 HydrophobicContact CG-CG 4.48Å; R1234-E1238 WeakPolarHBondContact CG-OE1 3.5Å; R1234-E1238 IonicContact CZ-OE1 3.33Å; R1234-E1238 IonicContact NE-OE1 2.71Å; R1234-E1238 PolarHBondContact NE-OE1 3.06Å; R1234-E1238 IonicContact NH2-OE1 3.2Å; R1234-E1238 PolarHBondContact NH2-OE1 2.78Å; R1234-E1238 WeakPolarHBondContact O-CG 3.28Å; R1234-E1238 PolarHBondContact O-N 2.93Å
1235S37.3Very low40Very low60 Ų6087.9 Ų87.942%0.4245%0.452SS..Hα-helixtrans-63.1-34.8-179.6-570000112.9K1231 L1232 L1239K1231-S1235 PolarHBondContact O-N 3.42Å; K1231-S1235 VanDerWaalsContact O-N 3.15Å; K1231-S1235 PolarHBondContact O-OG 3.46Å; L1232-S1235 PolarHBondContact O-N 3.39Å; S1235-L1239 WeakPolarHBondContact O-CB 3.44Å; S1235-L1239 PolarHBondContact O-N 3.32Å
1236L39.5Very low39.7Very low36 Ų3689.5 Ų89.519%0.18845%0.454CS..Hα-helixtrans-70.2-38.7173.2-73.2170.9000112.5L1232 R1234 E1238 L1239 C1240 V1498 E1501L1232-L1236 HydrophobicContact CD2-CD1 3.4Å; L1232-L1236 VanDerWaalsContact CD2-CD1 3.4Å; L1232-L1236 HydrophobicContact CD2-CG 4.03Å; L1232-L1236 PolarHBondContact O-N 3.12Å; R1234-L1236 VanDerWaalsContact C-N 3.3Å; R1234-L1236 PolarHBondContact O-N 3.18Å; L1236-E1238 VanDerWaalsContact C-N 3.34Å; L1236-E1238 PolarHBondContact O-N 3.22Å; L1236-L1239 PolarHBondContact O-N 2.84Å; L1236-C1240 VanDerWaalsContact O-CB 3.26Å; L1236-C1240 WeakPolarHBondContact O-CB 3.36Å; L1236-C1240 PolarHBondContact O-N 3.03Å; L1236-V1498 HydrophobicContact CD1-CB 4.31Å; L1236-V1498 HydrophobicContact CD1-CG1 3.95Å; L1236-V1498 HydrophobicContact CD1-CG2 4.13Å; L1236-E1501 WeakPolarHBondContact CB-OE2 3.32Å; L1236-E1501 WeakPolarHBondContact CD1-OE2 3.37Å
1237S43.5Very low39.5Very low80 Ų8089.1 Ų89.156%0.55946%0.456SS*.Hα-helixtrans-61.3-42.7172.2-174.80000111.8K1233 R1234 C1240 S1241K1233-S1237 WeakPolarHBondContact O-CB 3.45Å; K1233-S1237 PolarHBondContact O-N 3.42Å; R1234-S1237 WeakPolarHBondContact O-CB 3.31Å; R1234-S1237 PolarHBondContact O-N 3.27Å; R1234-S1237 VanDerWaalsContact O-N 3.13Å; S1237-C1240 PolarHBondContact O-N 3.41Å; S1237-S1241 WeakPolarHBondContact O-CB 3.37Å; S1237-S1241 PolarHBondContact O-N 3.19Å; S1237-S1241 PolarHBondContact O-OG 3.44Å
1238E42.8Very low39Very low89 Ų8987.5 Ų87.542%0.41646%0.459SS..Hα-helixtrans-63.5-47.7177.4-72.9163.6172.900110R1234 L1236 C1240 S1241 F1242R1234-E1238 HydrophobicContact CG-CG 4.48Å; R1234-E1238 WeakPolarHBondContact CG-OE1 3.5Å; R1234-E1238 IonicContact CZ-OE1 3.33Å; R1234-E1238 IonicContact NE-OE1 2.71Å; R1234-E1238 PolarHBondContact NE-OE1 3.06Å; R1234-E1238 IonicContact NH2-OE1 3.2Å; R1234-E1238 PolarHBondContact NH2-OE1 2.78Å; R1234-E1238 WeakPolarHBondContact O-CG 3.28Å; R1234-E1238 PolarHBondContact O-N 2.93Å; L1236-E1238 VanDerWaalsContact C-N 3.34Å; L1236-E1238 PolarHBondContact O-N 3.22Å; E1238-C1240 PolarHBondContact O-N 3.38Å; E1238-S1241 PolarHBondContact O-N 3.06Å; E1238-S1241 PolarHBondContact O-OG 3.23Å; E1238-F1242 WeakPolarHBondContact O-CB 3.37Å; E1238-F1242 PolarHBondContact O-N 3.28Å
1239L39.5Very low38.7Very low64 Ų6491.1 Ų91.134%0.33548%0.477SS..Hα-helixtrans-60.7-44.1174.6-173.669.4000113.3S1235 L1236 S1241 F1242 L1243S1235-L1239 WeakPolarHBondContact O-CB 3.44Å; S1235-L1239 PolarHBondContact O-N 3.32Å; L1236-L1239 PolarHBondContact O-N 2.84Å; L1239-S1241 VanDerWaalsContact C-N 3.34Å; L1239-S1241 PolarHBondContact O-N 3.47Å; L1239-F1242 WeakPolarHBondContact O-CB 3.48Å; L1239-F1242 PolarHBondContact O-N 3Å; L1239-L1243 HydrophobicContact CG-CD1 4.35Å; L1239-L1243 WeakPolarHBondContact O-CG 3.26Å; L1239-L1243 PolarHBondContact O-N 3.3Å
1240C39.8Very low38.1Very low77 Ų7796.7 Ų96.752%0.5251%0.507SS..Hα-helixtrans-66.1-38.2179.5-166.30000111.4L1236 S1237 E1238 K1244L1236-C1240 VanDerWaalsContact O-CB 3.26Å; L1236-C1240 WeakPolarHBondContact O-CB 3.36Å; L1236-C1240 PolarHBondContact O-N 3.03Å; S1237-C1240 PolarHBondContact O-N 3.41Å; E1238-C1240 PolarHBondContact O-N 3.38Å; C1240-K1244 WeakPolarHBondContact O-CB 3.39Å; C1240-K1244 PolarHBondContact O-N 3.49Å
1241S46.2Very low37.5Very low72 Ų7298.4 Ų98.450%0.50352%0.516SS..Hα-helixtrans-66.6-38173.173.30000112.6S1237 E1238 L1239 K1244 S1245S1237-S1241 WeakPolarHBondContact O-CB 3.37Å; S1237-S1241 PolarHBondContact O-N 3.19Å; S1237-S1241 PolarHBondContact O-OG 3.44Å; E1238-S1241 PolarHBondContact O-N 3.06Å; E1238-S1241 PolarHBondContact O-OG 3.23Å; L1239-S1241 VanDerWaalsContact C-N 3.34Å; L1239-S1241 PolarHBondContact O-N 3.47Å; S1241-K1244 PolarHBondContact O-N 3.41Å; S1241-S1245 WeakPolarHBondContact O-CB 3.47Å; S1241-S1245 PolarHBondContact O-N 3.45Å
1242F42.8Very low36.9Very low95 Ų9599.9 Ų99.942%0.41753%0.528SS..Hα-helixtrans-63.3-48.9175.3-179-105.3000111.8E1238 L1239 K1244 S1245 K1246E1238-F1242 WeakPolarHBondContact O-CB 3.37Å; E1238-F1242 PolarHBondContact O-N 3.28Å; L1239-F1242 WeakPolarHBondContact O-CB 3.48Å; L1239-F1242 PolarHBondContact O-N 3Å; F1242-K1244 VanDerWaalsContact C-N 3.27Å; F1242-K1244 PolarHBondContact O-N 3.43Å; F1242-S1245 PolarHBondContact O-N 2.66Å; F1242-S1245 PolarHBondContact O-OG 3.4Å; F1242-K1246 HydrophobicContact CE1-CD 4.14Å; F1242-K1246 HydrophobicContact CZ-CD 4.28Å; F1242-K1246 VanDerWaalsContact CZ-CE 3.43Å; F1242-K1246 PolarHBondContact O-N 3.07Å; F1242-K1246 VanDerWaalsContact O-N 3.12Å
1243L37.8Very low36.4Very low78 Ų78100.3 Ų100.341%0.40854%0.536SS..Hα-helixtrans-60-36.7175.4-70.7171000112.3L1239L1239-L1243 HydrophobicContact CG-CD1 4.35Å; L1239-L1243 WeakPolarHBondContact O-CG 3.26Å; L1239-L1243 PolarHBondContact O-N 3.3Å
1244K43.3Very low35.6Very low173 Ų173100.8 Ų100.875%0.75255%0.547SS*.Hα-helixtrans-72.5-26.7175.4-162.1170.9-174.1177.20113.2C1240 S1241 F1242C1240-K1244 WeakPolarHBondContact O-CB 3.39Å; C1240-K1244 PolarHBondContact O-N 3.49Å; S1241-K1244 PolarHBondContact O-N 3.41Å; F1242-K1244 VanDerWaalsContact C-N 3.27Å; F1242-K1244 PolarHBondContact O-N 3.43Å
1245S40.3Very low34.7Very low79 Ų7999.6 Ų99.655%0.55256%0.559SS**Hα-helixtrans-78.4-28.6175.974.60000114S1241 F1242 N1247S1241-S1245 WeakPolarHBondContact O-CB 3.47Å; S1241-S1245 PolarHBondContact O-N 3.45Å; F1242-S1245 PolarHBondContact O-N 2.66Å; F1242-S1245 PolarHBondContact O-OG 3.4Å; S1245-N1247 VanDerWaalsContact C-N 3.31Å; S1245-N1247 PolarHBondContact O-N 2.87Å
1246K30.9Very low34.1Very low105 Ų105100.5 Ų100.546%0.45757%0.569SS.*SBendtrans-75.5-9-179.8-88.3-168.6176.3-177.10114.9F1242 D1372F1242-K1246 HydrophobicContact CE1-CD 4.14Å; F1242-K1246 HydrophobicContact CZ-CD 4.28Å; F1242-K1246 VanDerWaalsContact CZ-CE 3.43Å; F1242-K1246 PolarHBondContact O-N 3.07Å; F1242-K1246 VanDerWaalsContact O-N 3.12Å; K1246-D1372 IonicContact NZ-OD1 3.94Å; K1246-D1372 IonicContact NZ-OD2 3.88Å; K1246-D1372 PolarHBondContact NZ-OD2 2.96Å
1247N31.9Very low33.4Very low117 Ų117105 Ų10563%0.62660%0.598SS**  trans-129.979178.8-76.5-68.5000111.9S1245S1245-N1247 VanDerWaalsContact C-N 3.31Å; S1245-N1247 PolarHBondContact O-N 2.87Å
1248P29.8Very low32.5Very low102 Ų102108 Ų10866%0.66261%0.607SS**  trans-77.2-19.6175.331.1-34.3000113.6L1250P1248-L1250 PolarHBondContact O-N 2.94Å; P1248-L1250 VanDerWaalsContact O-N 3.14Å
1249E26.3Very low31.5Very low186 Ų186111.5 Ų111.587%0.86963%0.627SS**  trans-9063.1-173.2-62.7-167.314900113.4
1250L27.4Very low30.9Very low157 Ų157113.4 Ų113.482%0.82265%0.646SS**  trans-15127.4170.4-117.1159.3000114.7P1248P1248-L1250 PolarHBondContact O-N 2.94Å; P1248-L1250 VanDerWaalsContact O-N 3.14Å
1251T25Very low30.2Very low121 Ų121114.5 Ų114.574%0.74266%0.655SS**  trans-137.582176.655.90000113.2
1252N26.4Very low29.3Very low125 Ų125115.7 Ų115.767%0.66866%0.663SS**  trans-170.595.4157.5-88.8-36.5000105.8N1474N1252-N1474 PolarHBondContact OD1-ND2 3.48Å
1253S28.1Very low28.4Very low61 Ų61116 Ų11643%0.42768%0.677SS.*  -170.4157.994.7177.30000110.2E1472 N1473S1253-E1472 WeakPolarHBondContact OG-CA 3.3Å; S1253-E1472 PolarHBondContact OG-N 3.47Å; S1253-E1472 PolarHBondContact OG-O 3.35Å; S1253-E1472 VanDerWaalsContact OG-O 3.09Å; S1253-N1473 PolarHBondContact OG-N 2.9Å
1254S25Very low27.7Very low77 Ų77116.7 Ų116.754%0.53869%0.688SS.*  trans-124.9143.2-175.2-610000113.9
1255T25.9Very low26.8Very low138 Ų138117 Ų11785%0.84769%0.69SS**  trans61.7148.5152.6520000119.4
1256A24.6Very low25.9Very low78 Ų78117.9 Ų117.965%0.64570%0.696SS**  cis-172.7-176.5-1500000109.3
1257T25.1Very low25.4Very low130 Ų130120 Ų12080%0.79871%0.711SS**  trans87.4131.1152.4-40.50000116.6
1258I23.8Very low25Very low143 Ų143117.2 Ų117.273%0.73370%0.701SS**  cis-170.2164.5-24.7-138.3164.5000108.8
1259L22.5Very low24.6Very low163 Ų163119.1 Ų119.185%0.85370%0.695SS**  trans65.1141173.1-75.5159.3000116.5
1260S25.3Very low24.5Very low104 Ų104113.5 Ų113.573%0.72767%0.671SS**  cis-146.4-163.9-258.20000108.3
1261S25.6Very low24.3Very low100 Ų100109.9 Ų109.970%0.69965%0.65SS**  cis-165.1158.19.1460000107.4
1262S26.6Very low24.2Very low98 Ų98110.8 Ų110.869%0.68565%0.649SS**  cis-170.1153.5-8.342.60000108.5
1263S25.5Very low24Very low101 Ų101111.9 Ų111.971%0.70665%0.653SS**  trans43.1117.3155.6540000119.7
1264S22.9Very low23.8Very low92 Ų92113.7 Ų113.764%0.64367%0.665SS**  cis54.6126.736.895.90000113.7
1265K23.5Very low23.6Very low181 Ų181118.7 Ų118.779%0.78768%0.68SS**  cis-139.5-170.420.9-47.8152.3-167.6154.10108.2
1266S21.1Very low23.4Very low97 Ų97117.2 Ų117.268%0.67867%0.674SS**  cis-170.6159.614.746.60000113.1
1267L22Very low23.5Very low148 Ų148121 Ų12178%0.77568%0.682SS**  trans77.1138.6146.6-77.7161.1000122.3
1268S21.6Very low23.5Very low59 Ų59120.3 Ų120.341%0.41367%0.674SS.*  trans57.6131159.720.20000122N337N337-S1268 PolarHBondContact OD1-OG 3.44Å
1269R22.9Very low23.6Very low143 Ų143119.3 Ų119.354%0.5467%0.674SS.*  26.3132.7110-56.8165.484.1120.9-4.2114L1193 F1194 N1195L1193-R1269 WeakPolarHBondContact CD2-O 3.4Å; F1194-R1269 PolarHBondContact O-NE 3.35Å; F1194-R1269 PolarHBondContact O-NH2 2.63Å; N1195-R1269 VanDerWaalsContact C-CZ 3.48Å; N1195-R1269 WeakPolarHBondContact O-CB 3.38Å; N1195-R1269 WeakPolarHBondContact O-CD 3.42Å; N1195-R1269 WeakPolarHBondContact O-CG 3.4Å; N1195-R1269 VanDerWaalsContact O-CZ 3.28Å; N1195-R1269 PolarHBondContact O-NE 2.91Å; N1195-R1269 PolarHBondContact O-NH2 2.69Å
1270D23.5Very low23.7Very low67 Ų67115.8 Ų115.836%0.35865%0.653SS.*  cis-169.2-151.923-156.931.7000116.8L1193 F1194 N1195L1193-D1270 HydrophobicContact CD1-CB 4.03Å; F1194-D1270 HydrophobicContact CB-CB 3.76Å; F1194-D1270 WeakPolarHBondContact CB-OD2 3.4Å; F1194-D1270 WeakPolarHBondContact CD1-OD2 3.31Å; F1194-D1270 HydrophobicContact CD2-CB 4.24Å; F1194-D1270 VanDerWaalsContact CD2-OD2 3.31Å; F1194-D1270 WeakPolarHBondContact CD2-OD2 3.49Å; F1194-D1270 HydrophobicContact CG-CB 4.23Å; F1194-D1270 WeakPolarHBondContact CG-OD2 3.38Å; N1195-D1270 VanDerWaalsContact CA-OD2 3.28Å; N1195-D1270 WeakPolarHBondContact CA-OD2 3.45Å; N1195-D1270 WeakPolarHBondContact CB-OD2 3.5Å; N1195-D1270 PolarHBondContact N-OD2 2.88Å
1271E23.2Very low23.7Very low82 Ų82116.7 Ų116.738%0.38366%0.657SS.*  trans-59.2131.9-168.5-71.4-174.689.400119.1F1194 N1195F1194-E1271 HydrophobicContact CD2-CB 4.34Å; F1194-E1271 HydrophobicContact CE2-CB 3.93Å; F1194-E1271 HydrophobicContact CZ-CB 4.38Å; N1195-E1271 WeakPolarHBondContact CB-OE2 3.49Å; N1195-E1271 PolarHBondContact ND2-OE2 3.18Å
1272I23.7Very low23.6Very low140 Ų140115.3 Ų115.372%0.71864%0.644SS**  63.9158.7128.6-44.3165.6000119.5
1273I22.7Very low23.4Very low147 Ų147117.6 Ų117.675%0.75465%0.648SS**  trans74.795.9173.1-46-174.1000113.5
1274S22.2Very low23.3Very low99 Ų99119.3 Ų119.369%0.69265%0.646SS**  cis76.6111.148.387.40000115.6
1275E22.3Very low23.3Very low182 Ų182122.1 Ų122.185%0.8565%0.647SS**  trans-172.6127.8131.6-98.7-171.3136.800107.1
1276C20.6Very low23.3Very low107 Ų107122.4 Ų122.472%0.72364%0.643SS**  77.887.571.8-670000114.4
1277I28Very low23.6Very low157 Ų157125.3 Ų125.381%0.80565%0.646SS**  trans-158.5111.5148.5-95.8147.4000103.3
1278N24.2Very low23.7Very low117 Ų117122.2 Ų122.263%0.62664%0.637SS**  60.7127.275.2-61.2-19.3000111.8
1279T26.6Very low23.8Very low121 Ų121124.5 Ų124.574%0.74265%0.653SS**  cis-158.3156.40.56.80000110.4
1280E23.3Very low24Very low89 Ų89124.6 Ų124.642%0.41667%0.669SS.*  trans-33.6162.3149.4-98.6-146.116300116.3T1824E1280-T1824 HydrophobicContact CG-CG2 4.39Å; E1280-T1824 WeakPolarHBondContact CG-OG1 3.41Å; E1280-T1824 WeakPolarHBondContact OE1-CB 3.13Å; E1280-T1824 PolarHBondContact OE1-OG1 3.44Å
1281P25.9Very low24.2Very low123 Ų123124.4 Ų124.480%0.79968%0.683SS**  -144.1169.452.241.1-22000119
1282V22.7Very low24.3Very low71 Ų71128 Ų12843%0.4371%0.705SS.*  trans-101.6154.6171.9-165.10000110.4
1283L23.4Very low24.4Very low147 Ų147130.7 Ų130.777%0.7771%0.712SS**  trans118.5119.4146.8-67.2176.4000119.3
1284M22.2Very low25.2Very low136 Ų136128.7 Ų128.767%0.6771%0.708SS**  trans69.9160.4143.8-53.4-111.1-92.900116
1285F24.8Very low25.3Very low152 Ų152131.7 Ų131.767%0.66772%0.717SS**  cis-116.8147.511.1-89.1-112.9000111
1286R23.4Very low25.4Very low186 Ų186127.9 Ų127.970%0.70271%0.71SS**  63.4134.581.7-123.7-177.1-172.9-1757.6110.6
1287E25.8Very low25.7Very low158 Ų158130 Ų13074%0.73871%0.713SS**  cis-151.2150.349.9-71-164.6130.100116.1
1288S25.1Very low25.6Very low83 Ų83129.9 Ų129.958%0.5871%0.713SS**  44.4112.3125-46.40000119.5
1289S23.7Very low25.9Very low107 Ų107129 Ų12975%0.74871%0.714SS**  59.1130.78180.90000113.8
1290V26.7Very low25.8Very low145 Ų145130.9 Ų130.988%0.87972%0.718SS**  cis-156.1158.436.6172.90000109.9
1291G26.9Very low25.8Very low64 Ų64131.5 Ų131.566%0.6673%0.732SS**  trans127.484.1144.700000120
1292N26.7Very low26Very low156 Ų156131 Ų13183%0.83473%0.73SS**  trans45.4123144.6-60-4.8000122.8
1293F26.2Very low26.2Very low198 Ų198132.2 Ų132.287%0.86874%0.741SS**  trans-20.4165.4148.4-61.1-86000119.6
1294P37.9Very low26.5Very low104 Ų104130.1 Ų130.168%0.67574%0.738SS**  cis-135.5176.7-26.837.2-21000113.4
1295N24.1Very low26.5Very low162 Ų162128.6 Ų128.687%0.86674%0.741SS**  -175.6163.3129.1-101.9-38000113.1
1296S25.5Very low26.5Very low103 Ų103129 Ų12972%0.7275%0.75SS**  trans-128.4173.9174.1-64.20000110.6
1297I27.3Very low26.4Very low151 Ų151125.3 Ų125.377%0.77475%0.747SS**  trans80.1126.5162.2-53.8151.8000117.4
1298L25.4Very low26.3Very low155 Ų155125.8 Ų125.881%0.81275%0.749SS**  trans-136.2156.7133-87.4178.1000107.5
1299P29.7Very low26.3Very low99 Ų99129.3 Ų129.364%0.64376%0.757SS**SBendcis-114.2179.85.841.1-31.2000114.6
1300L25Very low26.5Very low159 Ų159128.4 Ų128.483%0.83275%0.75SS**  trans7968.7166.1-54.3176000117.7
1301S24.4Very low26.6Very low102 Ų102129.7 Ų129.771%0.71375%0.747SS**  trans-36.2159.8131.218.30000114
1302P30Very low26.7Very low114 Ų114132.2 Ų132.274%0.7474%0.744SS**  -152.1-176.75439.9-17.2000119.7
1303S26.6Very low26.7Very low95 Ų95131.9 Ų131.966%0.66474%0.738SS**  trans66.4100148.349.40000121.7
1304S28.5Very low26.8Very low103 Ų103127.7 Ų127.772%0.7272%0.724SS**  36.4141.7110.663.40000122.7
1305S23.1Very low26.6Very low104 Ų104128.6 Ų128.673%0.72772%0.723SS**  trans66122148.253.90000120.7
1306L24.5Very low26.8Very low162 Ų162126.9 Ų126.985%0.84871%0.714SS**  trans-1.1137.6132.5-111.9167.3000117.1
1307V20.9Very low27Very low107 Ų107128.3 Ų128.365%0.64871%0.712SS**  trans71.7137.3167.7-171.20000113.6
1308H23.7Very low27Very low168 Ų168126.8 Ų126.878%0.77871%0.706SS**  cis-124.5168.5-14.2-100.5-57.3000105.3
1309E26.4Very low26.9Very low158 Ų158123.2 Ų123.274%0.73869%0.694SS**  cis-152.5168.820.6-143.1157.4136.600111.5
1310S27.2Very low26.6Very low87 Ų87126.5 Ų126.561%0.60870%0.7SS**  trans-71.7131.716949.60000111.9
1311Q29.4Very low26.5Very low173 Ų173123.6 Ų123.681%0.80869%0.689SS**  trans66.6179.5168.8-44.1178.518.800112.6
1312L27.5Very low26.5Very low116 Ų116127.4 Ų127.461%0.60769%0.693SS**  cis-134.8166.44.1-62.779000110.6
1313H28.2Very low26.4Very low150 Ų150127 Ų12769%0.69469%0.692SS**  trans70.2144.2146.1-69.9-15.8000117.5
1314N27.9Very low26.2Very low109 Ų109127.9 Ų127.958%0.58369%0.694SS**  cis-158.4170.7-8.8-124.15000112.8
1315N32.7Very low26.3Very low124 Ų124128.3 Ų128.366%0.66370%0.697SS**  trans78125.4165.3-52.9-14.8000115
1316D29.8Very low26.5Very low125 Ų125130 Ų13067%0.66869%0.693SS**  cis77.6140.740.1-59.5-25.6000111.9
1317I28.7Very low26.7Very low133 Ų133130.3 Ų130.368%0.68269%0.688SS**  cis-156.4175.7-3.4-123.4166.3000109.9
1318D26.6Very low27Very low119 Ų119131 Ų13164%0.63669%0.688SS**  trans19.3123.1163.3-69.7-49.6000120.2
1319S24.2Very low27.1Very low81 Ų81127.7 Ų127.757%0.56668%0.683SS**  71.9147.856.6102.10000115.3
1320Q23.5Very low27.1Very low167 Ų167125.7 Ų125.778%0.7868%0.682SS**  trans78.5133.4155.5-79.1-179.585.200122.3
1321V21.8Very low26.9Very low98 Ų98130.3 Ų130.359%0.59469%0.694SS**  trans99119.6130.4156.70000120.1
1322K24.6Very low26.6Very low183 Ų183127.6 Ų127.680%0.79669%0.694SS**  trans69.6152.7167.9-67151.1-1661630115.6
1323S28.1Very low26.4Very low104 Ų104127.6 Ų127.673%0.72770%0.704SS**  cis-147.8134.73.52.60000109.4
1324V23Very low26.6Very low114 Ų114126.5 Ų126.569%0.69171%0.708SS**  71.5101.780.8178.30000115.5
1325S30.2Very low26.7Very low112 Ų112126.9 Ų126.978%0.78372%0.716SS**  trans-168.7118.6136.5-4.70000106.7
1326H28Very low26.2Very low141 Ų141127 Ų12765%0.65372%0.715SS**  68.9125.166.6-72.1-10.1000112.6
1327F28.2Very low26.1Very low168 Ų168129.8 Ų129.874%0.73772%0.722SS**  cis-143.2165.69.5-66.3-76.4000108.7
1328D27.6Very low26.2Very low122 Ų122131.1 Ų131.165%0.65272%0.723SS**  cis-157.3159.5-7.9-110.5-22.8000107.8
1329S25.8Very low26.3Very low97 Ų97131.3 Ų131.368%0.67872%0.724SS**  68.4126.167.4-43.80000113.8
1330T25.8Very low26.5Very low117 Ų117133.4 Ų133.472%0.71873%0.728SS**  cis-147.3158.48.351.50000110.8
1331E22.5Very low26.8Very low183 Ų183134.5 Ų134.586%0.85573%0.731SS**  cis-169.2150.5-19.1-107-178.1-87.800107.9
1332S24Very low27.2Very low117 Ų117132.9 Ų132.982%0.81873%0.734SS**  trans-169.2111.6161.5-178.60000111.5
1333S22.9Very low27.3Very low115 Ų115132 Ų13280%0.80474%0.738SS**  trans-169.5124.2167.4-82.60000114.5
1334V33.5Very low27Very low128 Ų128131.7 Ų131.778%0.77673%0.734SS**  trans15.1140142-158.90000120.9
1335P28.7Very low27.1Very low116 Ų116135.4 Ų135.475%0.75374%0.742SS**  trans-137.2163.9135.237.5-25.3000114.1
1336I23.7Very low27.3Very low127 Ų127134.7 Ų134.765%0.65174%0.735SS**  cis-178.2170.3-29.1-102.6155.6000106.3
1337F27.6Very low27Very low183 Ų183134 Ų13480%0.80374%0.74SS**  trans86.4133.6172.9-64.4-52.2000117.5
1338K30.1Very low26.7Very low161 Ų161133.9 Ų133.970%0.775%0.746SS**  cis-148.8143.36-115.7-179.9-175.5178.30113
1339D29.2Very low26.5Very low123 Ų123132.3 Ų132.366%0.65875%0.745SS**  trans53140.9144-56.8-34.3000122
1340N28.5Very low26.4Very low125 Ų125134.1 Ų134.167%0.66875%0.752SS**  cis171.1137.7-16.1-117.7-76.2000104.5
1341K29.1Very low26.5Very low191 Ų191134.1 Ų134.183%0.8376%0.757SS**  cis-154.8-178.53.2-62.6-179.8-175.3-179.70107.5
1342G29.9Very low26.6Very low64 Ų64130.6 Ų130.666%0.6675%0.753SS**  cis136.2106.6-10.700000116
1343N26.3Very low26.9Very low163 Ų163130.4 Ų130.487%0.87275%0.748SS**  trans69.2156.9160.2-65.212.4000118.8
1344C22.6Very low27.1Very low98 Ų98130.9 Ų130.966%0.66275%0.752SS**  cis-163.1147.410.8-121.20000114.1
1345F24.2Very low26.8Very low192 Ų192131.3 Ų131.384%0.84276%0.755SS**  trans51.8-170.1153.8-73.3-84.2000120.5
1346P34.6Very low26.7Very low98 Ų98130.4 Ų130.464%0.63676%0.757SS**  -140.1-169.1-94.645.1-24.8000118.6
1347T22.5Very low26.8Very low125 Ų125130.4 Ų130.477%0.76775%0.754SS**  trans76.3137.9156.643.70000122.5
1348L22.4Very low26.8Very low166 Ų166128.3 Ų128.387%0.86975%0.75SS**  trans11143.4152.6-91.864.4000119.8
1349S22.3Very low26.8Very low89 Ų89127.9 Ų127.962%0.62276%0.756SS**  cis-170.2158.226.948.30000113.1
1350T23.8Very low26.5Very low135 Ų135127.8 Ų127.883%0.82875%0.751SS**  trans54.8135.9156.453.70000118.7
1351S28Very low26.4Very low117 Ų117126.1 Ų126.182%0.81874%0.742SS**  cis-150.2160.730.849.50000114.3
1352S25Very low26.4Very low110 Ų110121.9 Ų121.977%0.76974%0.737SS**  trans-86.5-178177.34.60000112.8
1353P30.8Very low26.3Very low112 Ų112121.1 Ų121.173%0.72772%0.724SS**  cis-135.6164.5-27.335.2-18.9000114
1354S25.5Very low26.4Very low125 Ų125117.9 Ų117.987%0.87471%0.71SS**  trans-166.2126.6145.9-81.40000108.8
1355T27.2Very low26.7Very low137 Ų137119.9 Ų119.984%0.8472%0.72SS**  trans-136.4106.5-171.3-57.70000111.8
1356A28.2Very low27.5Very low97 Ų97114.8 Ų114.880%0.80270%0.704SS**  trans-163.5133.5161.600000105.8
1357Q26.1Very low28.5Very low127 Ų127114.2 Ų114.259%0.59370%0.696SS**  cis-160175.6-3-159.7-177.17.200108.5C1808Q1357-C1808 PolarHBondContact NE2-O 2.98Å
1358I26.6Very low30.4Very low140 Ų140112.6 Ų112.672%0.71869%0.688SS**  trans68.8103.4163-49.8171.6000116.5
1359N30.1Very low32.1Very low152 Ų152109.8 Ų109.881%0.81367%0.666SS**  -157.8117.8102.6-146.13.4000110.6
1360E23.1Very low34.2Very low121 Ų121107.2 Ų107.257%0.56565%0.645SS**  trans-94119.8177.4-67.7-171.1150.600110.3T1809E1360-T1809 WeakPolarHBondContact OE1-CG2 3.41Å; E1360-T1809 PolarHBondContact OE1-OG1 2.77Å
1361N26Very low36.6Very low89 Ų89102.7 Ų102.748%0.47662%0.616SS.*  trans-168.298.3161.7-104.7-45.4000109.5V1695 I1696N1361-V1695 HydrophobicContact CB-CB 4.47Å; N1361-I1696 PolarHBondContact OD1-O 3.33Å
1362S28.9Very low38.8Very low103 Ų10399.8 Ų99.872%0.7259%0.591SS**  trans-153.4112173.9-76.10000108.8
1363A27.4Very low41.2Very low47 Ų4795.3 Ų95.339%0.38856%0.559SS.*  trans-70.4146.2-173.800000112.5T1365 V1695 I1696A1363-T1365 PolarHBondContact O-N 3.18Å; A1363-V1695 HydrophobicContact CB-CG1 3.94Å; A1363-I1696 HydrophobicContact CB-CB 4.04Å; A1363-I1696 HydrophobicContact CB-CD1 4.16Å; A1363-I1696 HydrophobicContact CB-CG2 4.3Å
1364T28.5Very low43.7Very low95 Ų9590 Ų9058%0.58352%0.524SS*.  trans-71.9106.7169.642.90000110.6T1366T1364-T1366 PolarHBondContact O-N 1.91Å
1365T28.7Very low46.4Very low141 Ų14186.7 Ų86.787%0.86550%0.501SS*.  trans-69.792176.8-46.10000110.7A1363 N1367A1363-T1365 PolarHBondContact O-N 3.18Å; T1365-N1367 PolarHBondContact O-N 2.89Å
1366T42.2Very low48.9Very low84 Ų8481.7 Ų81.752%0.51547%0.471SS..  trans-65.3116.2178.448.90000111.2T1364 P1368T1364-T1366 PolarHBondContact O-N 1.91Å; T1366-P1368 VanDerWaalsContact O-CD 3.26Å; T1366-P1368 WeakPolarHBondContact O-CD 3.46Å
1367N55.7Low51.4Low87 Ų8777.2 Ų77.247%0.46543%0.434SS..  trans-68.8110.7173.5-179-13.4000110.1T1365 Y1369 L1370T1365-N1367 PolarHBondContact O-N 2.89Å; N1367-Y1369 PolarHBondContact O-N 3.46Å; N1367-Y1369 WeakPolarHBondContact OD1-CB 3.35Å; N1367-Y1369 PolarHBondContact OD1-N 2.94Å; N1367-Y1369 VanDerWaalsContact OD1-N 3.15Å; N1367-L1370 HydrophobicContact CB-CD1 4.43Å; N1367-L1370 HydrophobicContact CB-CG 4.46Å; N1367-L1370 PolarHBondContact O-N 3.45Å; N1367-L1370 VanDerWaalsContact O-N 3.16Å
1368P61Low54.3Low90 Ų9071.4 Ų71.458%0.58441%0.407SS*.Hα-helixtrans-65.8-26.9-17227.4-35.3000112.9T1366 L1370 D1371 D1372T1366-P1368 VanDerWaalsContact O-CD 3.26Å; T1366-P1368 WeakPolarHBondContact O-CD 3.46Å; P1368-L1370 VanDerWaalsContact C-N 3.31Å; P1368-L1370 PolarHBondContact O-N 3.39Å; P1368-D1371 PolarHBondContact O-N 2.87Å; P1368-D1372 PolarHBondContact O-N 3.47Å
1369Y58.8Low57Low108 Ų10868.1 Ų68.142%0.42440%0.397SS..Hα-helixtrans-63.6-36.2177.3177.8-103.1000112.3N1367 D1371 L1373N1367-Y1369 PolarHBondContact O-N 3.46Å; N1367-Y1369 WeakPolarHBondContact OD1-CB 3.35Å; N1367-Y1369 PolarHBondContact OD1-N 2.94Å; N1367-Y1369 VanDerWaalsContact OD1-N 3.15Å; Y1369-D1371 VanDerWaalsContact C-N 3.34Å; Y1369-L1373 VanDerWaalsContact O-CB 3.26Å; Y1369-L1373 WeakPolarHBondContact O-CB 3.44Å; Y1369-L1373 PolarHBondContact O-N 3.04Å
1370L66Low59.5Low35 Ų3561.9 Ų61.918%0.18336%0.363CS..Hα-helixtrans-74.8-24.5178.4-67.3-177.9000112.8N1367 P1368 L1373 L1374 N1512 L1513N1367-L1370 HydrophobicContact CB-CD1 4.43Å; N1367-L1370 HydrophobicContact CB-CG 4.46Å; N1367-L1370 PolarHBondContact O-N 3.45Å; N1367-L1370 VanDerWaalsContact O-N 3.16Å; P1368-L1370 VanDerWaalsContact C-N 3.31Å; P1368-L1370 PolarHBondContact O-N 3.39Å; L1370-L1373 HydrophobicContact CD2-CD2 4.41Å; L1370-L1374 WeakPolarHBondContact O-CB 3.22Å; L1370-L1374 PolarHBondContact O-N 3.45Å; L1370-N1512 HydrophobicContact CD2-CB 4.05Å; L1370-L1513 HydrophobicContact CD2-CD2 4.31Å
1371D74.7Confident62.6Low40 Ų4056.3 Ų56.321%0.21434%0.337CS..Hα-helixtrans-84.9-36.6177.2-67.9-31.6000111.7P1368 Y1369 L1373 L1374 S1375 R1645 K1650P1368-D1371 PolarHBondContact O-N 2.87Å; Y1369-D1371 VanDerWaalsContact C-N 3.34Å; D1371-L1373 VanDerWaalsContact C-N 3.33Å; D1371-L1373 PolarHBondContact O-N 2.92Å; D1371-L1374 PolarHBondContact O-N 3.12Å; D1371-S1375 WeakPolarHBondContact O-CB 3.48Å; D1371-S1375 PolarHBondContact O-N 3.27Å; D1371-R1645 IonicContact OD1-NH1 3.59Å; D1371-K1650 WeakPolarHBondContact OD1-CD 3.4Å; D1371-K1650 IonicContact OD1-NZ 2.89Å; D1371-K1650 PolarHBondContact OD1-NZ 3.39Å; D1371-K1650 IonicContact OD2-NZ 1.91Å; D1371-K1650 PolarHBondContact OD2-NZ 3.47Å
1372D75.2Confident65.6Low56 Ų5652.7 Ų52.730%0.29932%0.318SS..Hα-helixtrans-58.1-44.5166-80.7-7.1000111K1246 P1368 S1376K1246-D1372 IonicContact NZ-OD1 3.94Å; K1246-D1372 IonicContact NZ-OD2 3.88Å; K1246-D1372 PolarHBondContact NZ-OD2 2.96Å; P1368-D1372 PolarHBondContact O-N 3.47Å; D1372-S1376 WeakPolarHBondContact O-CB 3.43Å; D1372-S1376 PolarHBondContact O-N 3.47Å; D1372-S1376 PolarHBondContact O-OG 2.91Å
1373L75.2Confident68.2Low16 Ų1650.4 Ų50.48%0.08430%0.299CS..Hα-helixtrans-64.6-43.9177-172.475.8000112Y1369 L1370 D1371 S1376 L1377 L1505 L1509 N1512Y1369-L1373 VanDerWaalsContact O-CB 3.26Å; Y1369-L1373 WeakPolarHBondContact O-CB 3.44Å; Y1369-L1373 PolarHBondContact O-N 3.04Å; L1370-L1373 HydrophobicContact CD2-CD2 4.41Å; D1371-L1373 VanDerWaalsContact C-N 3.33Å; D1371-L1373 PolarHBondContact O-N 2.92Å; L1373-S1376 PolarHBondContact O-N 2.9Å; L1373-L1377 PolarHBondContact O-N 2.91Å; L1373-L1505 HydrophobicContact CD1-CD1 3.59Å; L1373-L1509 HydrophobicContact CD2-CD1 4.48Å; L1373-L1509 HydrophobicContact CG-CD1 4.32Å; L1373-N1512 HydrophobicContact CD2-CB 4.37Å; L1373-N1512 WeakPolarHBondContact CD2-ND2 3.48Å
1374L82.4Confident71Confident1 Ų149.7 Ų49.71%0.00529%0.291CS..Hα-helixtrans-62.8-44.8177.417463.2000111.7L1370 D1371 L1377 C1378 L1513 F1641 R1645 K1650L1370-L1374 WeakPolarHBondContact O-CB 3.22Å; L1370-L1374 PolarHBondContact O-N 3.45Å; D1371-L1374 PolarHBondContact O-N 3.12Å; L1374-L1377 PolarHBondContact O-N 3.34Å; L1374-C1378 PolarHBondContact O-N 3.14Å; L1374-C1378 PolarHBondContact O-SG 3.21Å; L1374-L1513 HydrophobicContact CD1-CD1 4.43Å; L1374-F1641 HydrophobicContact CD1-CE1 3.89Å; L1374-F1641 HydrophobicContact CD1-CZ 4.31Å; L1374-R1645 HydrophobicContact CD1-CB 4.43Å; L1374-R1645 HydrophobicContact CD1-CG 4.27Å; L1374-R1645 HydrophobicContact CD2-CB 3.89Å; L1374-R1645 HydrophobicContact CD2-CG 3.76Å; L1374-K1650 HydrophobicContact CD2-CB 3.83Å; L1374-K1650 HydrophobicContact CD2-CD 4.35Å
1375S82.8Confident73.9Confident55 Ų5545.1 Ų45.139%0.38526%0.264SS..Hα-helixtrans-61.2-45.3177.3-172.20000111.3D1371 L1377 C1378 S1379D1371-S1375 WeakPolarHBondContact O-CB 3.48Å; D1371-S1375 PolarHBondContact O-N 3.27Å; S1375-L1377 VanDerWaalsContact C-N 3.3Å; S1375-L1377 PolarHBondContact O-N 2.96Å; S1375-C1378 PolarHBondContact O-N 3.25Å; S1375-S1379 PolarHBondContact O-N 3.05Å; S1375-S1379 VanDerWaalsContact O-N 3.08Å
1376S78.5Confident76.8Confident31 Ų3140.7 Ų40.722%0.21723%0.232CC..Hα-helixtrans-56.9-42.3175.7-57.70000112.1D1372 L1373 L1380D1372-S1376 WeakPolarHBondContact O-CB 3.43Å; D1372-S1376 PolarHBondContact O-N 3.47Å; D1372-S1376 PolarHBondContact O-OG 2.91Å; L1373-S1376 PolarHBondContact O-N 2.9Å; S1376-L1380 PolarHBondContact O-N 3.03Å; S1376-L1380 VanDerWaalsContact O-N 3.1Å
1377L81.6Confident78.8Confident3 Ų341.7 Ų41.72%0.01623%0.227CC..Hα-helixtrans-75.4-35.1177.4-178.6115.5000113.2L1373 L1374 S1375 S1379 L1380 L1381 L1505 I1506 L1509 L1642L1373-L1377 PolarHBondContact O-N 2.91Å; L1374-L1377 PolarHBondContact O-N 3.34Å; S1375-L1377 VanDerWaalsContact C-N 3.3Å; S1375-L1377 PolarHBondContact O-N 2.96Å; L1377-S1379 VanDerWaalsContact C-N 3.28Å; L1377-S1379 PolarHBondContact O-N 3.24Å; L1377-L1380 CarbonylContact O-C 3.56Å; L1377-L1380 PolarHBondContact O-N 3.21Å; L1377-L1380 VanDerWaalsContact O-N 3.17Å; L1377-L1381 HydrophobicContact CD2-CD1 3.5Å; L1377-L1381 HydrophobicContact CD2-CG 4.06Å; L1377-L1381 HydrophobicContact CG-CD1 4.12Å; L1377-L1381 HydrophobicContact CG-CG 4.11Å; L1377-L1381 WeakPolarHBondContact O-CB 3.2Å; L1377-L1381 WeakPolarHBondContact O-CG 3.33Å; L1377-L1381 PolarHBondContact O-N 3Å; L1377-L1505 HydrophobicContact CB-CD2 4.26Å; L1377-I1506 HydrophobicContact CD1-CG1 4.01Å; L1377-L1509 HydrophobicContact CB-CD1 3.56Å; L1377-L1509 HydrophobicContact CD1-CB 3.86Å; L1377-L1509 HydrophobicContact CD1-CD1 3.84Å; L1377-L1509 HydrophobicContact CD1-CD2 3.77Å; L1377-L1509 HydrophobicContact CD1-CG 3.99Å; L1377-L1509 HydrophobicContact CD2-CD1 3.64Å; L1377-L1509 HydrophobicContact CD2-CD2 3.49Å; L1377-L1509 VanDerWaalsContact CD2-CD2 3.49Å; L1377-L1509 HydrophobicContact CD2-CG 4.11Å; L1377-L1509 HydrophobicContact CG-CD1 3.83Å; L1377-L1509 HydrophobicContact CG-CD2 4.15Å; L1377-L1509 HydrophobicContact CG-CG 4.41Å; L1377-L1642 HydrophobicContact CD2-CD2 4.16Å
1378C87Confident80.4Confident5 Ų538 Ų383%0.03421%0.208CC..Hα-helixtrans-60.1-42.9174.6-66.50000110.7L1374 S1375 L1381 E1382 L1657L1374-C1378 PolarHBondContact O-N 3.14Å; L1374-C1378 PolarHBondContact O-SG 3.21Å; S1375-C1378 PolarHBondContact O-N 3.25Å; C1378-L1381 PolarHBondContact O-N 3.16Å; C1378-E1382 WeakPolarHBondContact O-CG 3.39Å; C1378-E1382 PolarHBondContact O-N 3.31Å; C1378-L1657 HydrophobicContact CB-CD2 4.03Å
1379S83.8Confident81.7Confident72 Ų7236.2 Ų36.250%0.50320%0.195SC..Hα-helixtrans-60.4-43.2172.3-176.70000112.9S1375 L1377 T1383S1375-S1379 PolarHBondContact O-N 3.05Å; S1375-S1379 VanDerWaalsContact O-N 3.08Å; L1377-S1379 VanDerWaalsContact C-N 3.28Å; L1377-S1379 PolarHBondContact O-N 3.24Å; S1379-T1383 WeakPolarHBondContact O-CB 3.42Å; S1379-T1383 PolarHBondContact O-N 3.48Å; S1379-T1383 PolarHBondContact O-OG1 2.99Å
1380L82.7Confident83Confident20 Ų2035.3 Ų35.311%0.10520%0.197CC..Hα-helixtrans-63.6-43.6174.517660.5000112.4S1376 L1377 T1383 C1384 I1502 L1505 I1506S1376-L1380 PolarHBondContact O-N 3.03Å; S1376-L1380 VanDerWaalsContact O-N 3.1Å; L1377-L1380 CarbonylContact O-C 3.56Å; L1377-L1380 PolarHBondContact O-N 3.21Å; L1377-L1380 VanDerWaalsContact O-N 3.17Å; L1380-T1383 WeakPolarHBondContact O-CB 3.38Å; L1380-T1383 PolarHBondContact O-N 3.3Å; L1380-C1384 PolarHBondContact O-N 3.24Å; L1380-C1384 PolarHBondContact O-SG 3.5Å; L1380-I1502 HydrophobicContact CD1-CB 4.48Å; L1380-I1502 HydrophobicContact CD1-CD1 4.02Å; L1380-I1502 HydrophobicContact CD1-CG1 3.76Å; L1380-I1502 HydrophobicContact CD1-CG2 4.19Å; L1380-I1502 HydrophobicContact CD2-CB 4.43Å; L1380-I1502 HydrophobicContact CD2-CG1 4.42Å; L1380-I1502 HydrophobicContact CD2-CG2 4.08Å; L1380-L1505 HydrophobicContact CB-CD2 4.27Å; L1380-L1505 HydrophobicContact CD2-CB 4.4Å; L1380-L1505 HydrophobicContact CD2-CD2 3.78Å; L1380-I1506 HydrophobicContact CD2-CD1 4.12Å; L1380-I1506 HydrophobicContact CD2-CG1 3.98Å
1381L87.5Confident84Confident4 Ų434.8 Ų34.82%0.02119%0.193CC..Hα-helixtrans-68.9-39.3179.8-74.2178.9000112L1377 C1378 T1383 C1384 L1385 I1418 L1642 L1657L1377-L1381 HydrophobicContact CD2-CD1 3.5Å; L1377-L1381 HydrophobicContact CD2-CG 4.06Å; L1377-L1381 HydrophobicContact CG-CD1 4.12Å; L1377-L1381 HydrophobicContact CG-CG 4.11Å; L1377-L1381 WeakPolarHBondContact O-CB 3.2Å; L1377-L1381 WeakPolarHBondContact O-CG 3.33Å; L1377-L1381 PolarHBondContact O-N 3Å; C1378-L1381 PolarHBondContact O-N 3.16Å; L1381-T1383 VanDerWaalsContact C-N 3.31Å; L1381-T1383 PolarHBondContact O-N 3.41Å; L1381-C1384 PolarHBondContact O-N 3.09Å; L1381-L1385 WeakPolarHBondContact O-CB 3.19Å; L1381-L1385 VanDerWaalsContact O-CG 3.25Å; L1381-L1385 WeakPolarHBondContact O-CG 3.44Å; L1381-L1385 PolarHBondContact O-N 2.62Å; L1381-I1418 HydrophobicContact CD2-CD1 4.15Å; L1381-I1418 HydrophobicContact CD2-CG2 3.88Å; L1381-L1642 HydrophobicContact CD1-CD1 3.55Å; L1381-L1642 HydrophobicContact CD1-CD2 4.1Å; L1381-L1642 HydrophobicContact CD1-CG 4.47Å; L1381-L1657 HydrophobicContact CB-CD1 4.14Å; L1381-L1657 HydrophobicContact CB-CD2 4.08Å; L1381-L1657 HydrophobicContact CD1-CD1 4.32Å; L1381-L1657 HydrophobicContact CD1-CD2 4.29Å
1382E88.2Confident84.5Confident13 Ų1333 Ų336%0.06118%0.184CC..Hα-helixtrans-57.3-46.5168.8-76.2-179.8-146.300110.8S184 C1378 C1384 L1385 F1386 S1655 L1657S184-E1382 WeakPolarHBondContact CB-OE2 3.4Å; S184-E1382 PolarHBondContact OG-OE2 2.94Å; C1378-E1382 WeakPolarHBondContact O-CG 3.39Å; C1378-E1382 PolarHBondContact O-N 3.31Å; E1382-C1384 PolarHBondContact O-N 3.05Å; E1382-L1385 WeakPolarHBondContact O-CB 3.5Å; E1382-L1385 PolarHBondContact O-N 3.3Å; E1382-F1386 VanDerWaalsContact O-CD2 3.23Å; E1382-F1386 WeakPolarHBondContact O-CD2 3.25Å; E1382-F1386 PolarHBondContact O-N 2.74Å; E1382-S1655 WeakPolarHBondContact OE1-CB 3.39Å; E1382-L1657 HydrophobicContact CG-CB 3.79Å
1383T85.2Confident84.9Confident55 Ų5533.4 Ų33.434%0.33719%0.194SC..Hα-helixtrans-60.2-44.9177.2-58.40000112S1379 L1380 L1381 F1386 Y1387S1379-T1383 WeakPolarHBondContact O-CB 3.42Å; S1379-T1383 PolarHBondContact O-N 3.48Å; S1379-T1383 PolarHBondContact O-OG1 2.99Å; L1380-T1383 WeakPolarHBondContact O-CB 3.38Å; L1380-T1383 PolarHBondContact O-N 3.3Å; L1381-T1383 VanDerWaalsContact C-N 3.31Å; L1381-T1383 PolarHBondContact O-N 3.41Å; T1383-F1386 PolarHBondContact O-N 3.31Å; T1383-Y1387 HydrophobicContact CG2-CD2 3.99Å; T1383-Y1387 HydrophobicContact CG2-CE2 3.64Å; T1383-Y1387 VanDerWaalsContact O-CD2 3.24Å; T1383-Y1387 WeakPolarHBondContact O-CD2 3.24Å; T1383-Y1387 PolarHBondContact O-N 3.39Å; T1383-Y1387 VanDerWaalsContact O-N 3.13Å
1384C85.9Confident85.4Confident32 Ų3237.5 Ų37.522%0.21621%0.213CC..Hα-helixtrans-65.8-35.2175.5-70.30000112.7L1380 L1381 E1382 Y1387 L1388 I1418L1380-C1384 PolarHBondContact O-N 3.24Å; L1380-C1384 PolarHBondContact O-SG 3.5Å; L1381-C1384 PolarHBondContact O-N 3.09Å; E1382-C1384 PolarHBondContact O-N 3.05Å; C1384-Y1387 PolarHBondContact O-N 3.39Å; C1384-L1388 VanDerWaalsContact O-CB 3.32Å; C1384-L1388 WeakPolarHBondContact O-CB 3.38Å; C1384-L1388 PolarHBondContact O-N 3.31Å; C1384-I1418 HydrophobicContact CB-CD1 3.75Å; C1384-I1418 HydrophobicContact CB-CG1 4.09Å
1385L89.9Confident85.6Confident0 Ų038.1 Ų38.10%022%0.216CC..Hα-helixtrans-66.3-38.3174.4-77.4168.6000111.9L1381 E1382 L1388 V1389 W1414 I1418 L1656 L1657 M1660L1381-L1385 WeakPolarHBondContact O-CB 3.19Å; L1381-L1385 VanDerWaalsContact O-CG 3.25Å; L1381-L1385 WeakPolarHBondContact O-CG 3.44Å; L1381-L1385 PolarHBondContact O-N 2.62Å; E1382-L1385 WeakPolarHBondContact O-CB 3.5Å; E1382-L1385 PolarHBondContact O-N 3.3Å; L1385-L1388 HydrophobicContact CD2-CD2 4.39Å; L1385-L1388 PolarHBondContact O-N 2.67Å; L1385-V1389 WeakPolarHBondContact O-CG2 3.33Å; L1385-V1389 PolarHBondContact O-N 2.63Å; L1385-W1414 HydrophobicContact CD2-CB 3.76Å; L1385-W1414 HydrophobicContact CD2-CD2 4Å; L1385-W1414 HydrophobicContact CD2-CE3 3.83Å; L1385-W1414 HydrophobicContact CD2-CG 4.01Å; L1385-W1414 HydrophobicContact CG-CE3 4.48Å; L1385-I1418 HydrophobicContact CD2-CD1 4.2Å; L1385-I1418 HydrophobicContact CG-CD1 4.14Å; L1385-L1656 HydrophobicContact CB-CD2 3.78Å; L1385-L1656 HydrophobicContact CB-CG 4.27Å; L1385-L1656 HydrophobicContact CD1-CG 4.44Å; L1385-L1657 HydrophobicContact CD1-CB 4.17Å; L1385-L1657 HydrophobicContact CD1-CD1 3.84Å; L1385-M1660 HydrophobicContact CD1-CB 4.31Å; L1385-M1660 HydrophobicContact CD1-CG 4.02Å; L1385-M1660 HydrophobicContact CD2-CG 4.05Å
1386F87.7Confident85.6Confident47 Ų4740.2 Ų40.221%0.20622%0.22CC..Hα-helixtrans-63-49.6172.2-82.5-71.1000111.7S183 E1382 T1383 L1388 V1389 D1390 L1656S183-F1386 WeakPolarHBondContact OG-CZ 3.22Å; E1382-F1386 VanDerWaalsContact O-CD2 3.23Å; E1382-F1386 WeakPolarHBondContact O-CD2 3.25Å; E1382-F1386 PolarHBondContact O-N 2.74Å; T1383-F1386 PolarHBondContact O-N 3.31Å; F1386-L1388 VanDerWaalsContact C-N 3.27Å; F1386-L1388 PolarHBondContact O-N 3.49Å; F1386-V1389 PolarHBondContact O-N 3.26Å; F1386-V1389 VanDerWaalsContact O-N 3.14Å; F1386-D1390 PolarHBondContact O-N 3.36Å; F1386-L1656 HydrophobicContact CD1-CD2 4.16Å; F1386-L1656 HydrophobicContact CD2-CD2 3.91Å; F1386-L1656 HydrophobicContact CE1-CD2 3.94Å; F1386-L1656 HydrophobicContact CE2-CB 4.22Å; F1386-L1656 HydrophobicContact CE2-CD2 3.66Å; F1386-L1656 HydrophobicContact CG-CD2 4.12Å; F1386-L1656 HydrophobicContact CZ-CB 4.3Å; F1386-L1656 HydrophobicContact CZ-CD2 3.64Å
1387Y85.5Confident85.7Confident105 Ų10540.5 Ų40.541%0.41222%0.222SC..Hα-helixtrans-60.9-33.9175.9-73.7-59.9000113.3T1383 C1384 W1391T1383-Y1387 HydrophobicContact CG2-CD2 3.99Å; T1383-Y1387 HydrophobicContact CG2-CE2 3.64Å; T1383-Y1387 VanDerWaalsContact O-CD2 3.24Å; T1383-Y1387 WeakPolarHBondContact O-CD2 3.24Å; T1383-Y1387 PolarHBondContact O-N 3.39Å; T1383-Y1387 VanDerWaalsContact O-N 3.13Å; C1384-Y1387 PolarHBondContact O-N 3.39Å; Y1387-W1391 VanDerWaalsContact O-CB 3.27Å; Y1387-W1391 WeakPolarHBondContact O-CB 3.41Å; Y1387-W1391 PolarHBondContact O-N 2.9Å
1388L88.5Confident85.9Confident11 Ų1141 Ų416%0.05822%0.224CC..Hα-helixtrans-64.3-44.8174.2179.164.7000111.8C1384 L1385 F1386 W1391 M1392 L1410 W1414 I1417C1384-L1388 VanDerWaalsContact O-CB 3.32Å; C1384-L1388 WeakPolarHBondContact O-CB 3.38Å; C1384-L1388 PolarHBondContact O-N 3.31Å; L1385-L1388 HydrophobicContact CD2-CD2 4.39Å; L1385-L1388 PolarHBondContact O-N 2.67Å; F1386-L1388 VanDerWaalsContact C-N 3.27Å; F1386-L1388 PolarHBondContact O-N 3.49Å; L1388-W1391 HydrophobicContact CD1-CE3 4.1Å; L1388-W1391 HydrophobicContact CD1-CZ3 4.42Å; L1388-M1392 VanDerWaalsContact O-CG 3.32Å; L1388-M1392 WeakPolarHBondContact O-CG 3.07Å; L1388-M1392 PolarHBondContact O-N 3.37Å; L1388-L1410 HydrophobicContact CD2-CD1 3.58Å; L1388-L1410 HydrophobicContact CG-CD1 4.12Å; L1388-W1414 HydrophobicContact CD2-CB 3.76Å; L1388-I1417 HydrophobicContact CD1-CB 4.12Å; L1388-I1417 HydrophobicContact CD1-CD1 4.03Å; L1388-I1417 HydrophobicContact CD1-CG2 3.59Å
1389V88.1Confident85.7Confident52 Ų5245.7 Ų45.732%0.31524%0.244SC..Hα-helixtrans-64.2-46.7176.4170.60000111.1L1385 F1386 W1391 M1392 A1393 L1410L1385-V1389 WeakPolarHBondContact O-CG2 3.33Å; L1385-V1389 PolarHBondContact O-N 2.63Å; F1386-V1389 PolarHBondContact O-N 3.26Å; F1386-V1389 VanDerWaalsContact O-N 3.14Å; V1389-W1391 PolarHBondContact O-N 2.68Å; V1389-M1392 HydrophobicContact CG2-CE 4.49Å; V1389-M1392 PolarHBondContact O-N 3.45Å; V1389-A1393 PolarHBondContact O-N 3.13Å; V1389-L1410 HydrophobicContact CG2-CD2 3.71Å
1390D86.5Confident85.8Confident88 Ų8846.6 Ų46.647%0.47125%0.246SC..Hα-helixtrans-63.8-39.7179.2-73.4-15.4000111.9F1386 A1393 Q1394F1386-D1390 PolarHBondContact O-N 3.36Å; D1390-A1393 PolarHBondContact O-N 3.46Å; D1390-Q1394 PolarHBondContact O-N 3.46Å; D1390-Q1394 PolarHBondContact O-NE2 3.39Å
1391W86.8Confident85.9Confident24 Ų2445.9 Ų45.99%0.09124%0.242CC..Hα-helixtrans-61.7-47.6173.4173.766000111.3F1211 Y1387 L1388 V1389 A1393 Q1394 I1395 K1552 F1553 L1556F1211-W1391 HydrophobicContact CD1-CB 4.14Å; F1211-W1391 AromaticContact CD1-CD1 3.68Å; F1211-W1391 AromaticContact CD1-CG 3.84Å; F1211-W1391 HydrophobicContact CD1-CG 3.84Å; F1211-W1391 HydrophobicContact CE1-CG 4.42Å; Y1387-W1391 VanDerWaalsContact O-CB 3.27Å; Y1387-W1391 WeakPolarHBondContact O-CB 3.41Å; Y1387-W1391 PolarHBondContact O-N 2.9Å; L1388-W1391 HydrophobicContact CD1-CE3 4.1Å; L1388-W1391 HydrophobicContact CD1-CZ3 4.42Å; V1389-W1391 PolarHBondContact O-N 2.68Å; W1391-A1393 VanDerWaalsContact C-N 3.31Å; W1391-A1393 PolarHBondContact O-N 3.49Å; W1391-Q1394 WeakPolarHBondContact O-CB 3.38Å; W1391-Q1394 PolarHBondContact O-N 3.28Å; W1391-Q1394 VanDerWaalsContact O-N 3.11Å; W1391-I1395 HydrophobicContact CD2-CD1 4.14Å; W1391-I1395 HydrophobicContact CE3-CD1 4.05Å; W1391-I1395 HydrophobicContact CH2-CD1 3.82Å; W1391-I1395 HydrophobicContact CZ2-CD1 3.89Å; W1391-I1395 HydrophobicContact CZ3-CD1 3.9Å; W1391-I1395 PolarHBondContact O-N 3.41Å; W1391-K1552 HydrophobicContact CH2-CB 4.25Å; W1391-F1553 HydrophobicContact CH2-CD2 4.38Å; W1391-F1553 HydrophobicContact CH2-CE1 4.42Å; W1391-F1553 HydrophobicContact CH2-CE2 4.23Å; W1391-F1553 HydrophobicContact CH2-CZ 4.24Å; W1391-F1553 HydrophobicContact CZ2-CD2 4.23Å; W1391-F1553 HydrophobicContact CZ2-CE1 4.37Å; W1391-F1553 AromaticContact CZ2-CE2 3.7Å; W1391-F1553 HydrophobicContact CZ2-CE2 3.7Å; W1391-F1553 AromaticContact CZ2-CZ 3.77Å; W1391-F1553 HydrophobicContact CZ2-CZ 3.77Å; W1391-L1556 HydrophobicContact CH2-CD2 4.46Å; W1391-L1556 HydrophobicContact CZ3-CD2 4.02Å
1392M86.4Confident85.9Confident4 Ų447.8 Ų47.82%0.0226%0.255CS..Hα-helixtrans-64.4-33.5179-71.8-172-48.600113.6L1388 V1389 Q1394 I1395 F1398 L1410 L1556L1388-M1392 VanDerWaalsContact O-CG 3.32Å; L1388-M1392 WeakPolarHBondContact O-CG 3.07Å; L1388-M1392 PolarHBondContact O-N 3.37Å; V1389-M1392 HydrophobicContact CG2-CE 4.49Å; V1389-M1392 PolarHBondContact O-N 3.45Å; M1392-Q1394 PolarHBondContact O-N 3.01Å; M1392-I1395 HydrophobicContact CB-CD1 4.38Å; M1392-I1395 HydrophobicContact CG-CD1 4.2Å; M1392-I1395 WeakPolarHBondContact O-CB 3.42Å; M1392-I1395 PolarHBondContact O-N 3.26Å; M1392-I1395 VanDerWaalsContact O-N 3.15Å; M1392-F1398 HydrophobicContact CB-CD1 3.91Å; M1392-F1398 HydrophobicContact CB-CE1 3.79Å; M1392-F1398 HydrophobicContact CB-CG 4.49Å; M1392-F1398 HydrophobicContact CB-CZ 4.28Å; M1392-F1398 HydrophobicContact CE-CE1 4.25Å; M1392-F1398 HydrophobicContact CE-CZ 4.1Å; M1392-F1398 WeakPolarHBondContact O-CD1 3.4Å; M1392-F1398 HydrophobicContact SD-CE1 4.2Å; M1392-F1398 HydrophobicContact SD-CE2 4.17Å; M1392-F1398 HydrophobicContact SD-CZ 3.76Å; M1392-L1410 HydrophobicContact CE-CB 3.94Å; M1392-L1410 HydrophobicContact CE-CD1 3.67Å; M1392-L1410 HydrophobicContact CE-CD2 3.82Å; M1392-L1410 HydrophobicContact CE-CG 3.98Å; M1392-L1410 HydrophobicContact SD-CD1 4.49Å; M1392-L1556 HydrophobicContact CG-CD2 3.84Å; M1392-L1556 HydrophobicContact SD-CD1 3.5Å; M1392-L1556 WeakPolarHBondContact SD-CD1 3.27Å; M1392-L1556 HydrophobicContact SD-CD2 3.75Å; M1392-L1556 HydrophobicContact SD-CG 4.3Å
1393A83.4Confident85.8Confident64 Ų6451.9 Ų51.953%0.52928%0.281SS..Hα-helixtrans-62.2-27.517500000112.8V1389 D1390 W1391V1389-A1393 PolarHBondContact O-N 3.13Å; D1390-A1393 PolarHBondContact O-N 3.46Å; W1391-A1393 VanDerWaalsContact C-N 3.31Å; W1391-A1393 PolarHBondContact O-N 3.49Å
1394Q85.8Confident85.7Confident102 Ų10253 Ų5348%0.47728%0.282SS..Hα-helixtrans-80.8-20.5176.7-66.8163.170.800113D1390 W1391 M1392 E1396D1390-Q1394 PolarHBondContact O-N 3.46Å; D1390-Q1394 PolarHBondContact O-NE2 3.39Å; W1391-Q1394 WeakPolarHBondContact O-CB 3.38Å; W1391-Q1394 PolarHBondContact O-N 3.28Å; W1391-Q1394 VanDerWaalsContact O-N 3.11Å; M1392-Q1394 PolarHBondContact O-N 3.01Å; Q1394-E1396 PolarHBondContact O-N 3.42Å; Q1394-E1396 VanDerWaalsContact O-N 3.16Å
1395I85.8Confident85.8Confident14 Ų1451.5 Ų51.57%0.07227%0.272CS..  trans-69.8111.6-179.1-58.8170000110W1391 M1392 S1397 F1398 K1399 F1553 L1556W1391-I1395 HydrophobicContact CD2-CD1 4.14Å; W1391-I1395 HydrophobicContact CE3-CD1 4.05Å; W1391-I1395 HydrophobicContact CH2-CD1 3.82Å; W1391-I1395 HydrophobicContact CZ2-CD1 3.89Å; W1391-I1395 HydrophobicContact CZ3-CD1 3.9Å; W1391-I1395 PolarHBondContact O-N 3.41Å; M1392-I1395 HydrophobicContact CB-CD1 4.38Å; M1392-I1395 HydrophobicContact CG-CD1 4.2Å; M1392-I1395 WeakPolarHBondContact O-CB 3.42Å; M1392-I1395 PolarHBondContact O-N 3.26Å; M1392-I1395 VanDerWaalsContact O-N 3.15Å; I1395-S1397 VanDerWaalsContact C-N 3.31Å; I1395-S1397 PolarHBondContact O-N 3.23Å; I1395-F1398 HydrophobicContact CB-CB 3.75Å; I1395-F1398 HydrophobicContact CG2-CB 3.87Å; I1395-F1398 WeakPolarHBondContact O-CA 3.32Å; I1395-F1398 WeakPolarHBondContact O-CB 3.36Å; I1395-F1398 PolarHBondContact O-N 3.32Å; I1395-K1399 PolarHBondContact O-N 3.44Å; I1395-K1399 VanDerWaalsContact O-N 3.15Å; I1395-F1553 HydrophobicContact CD1-CE1 3.67Å; I1395-F1553 HydrophobicContact CD1-CZ 3.97Å; I1395-F1553 HydrophobicContact CG1-CE1 4.11Å; I1395-F1553 HydrophobicContact CG1-CZ 4.1Å; I1395-F1553 HydrophobicContact CG2-CE1 3.76Å; I1395-F1553 HydrophobicContact CG2-CZ 4.27Å; I1395-L1556 HydrophobicContact CD1-CD2 4.08Å
1396E83.9Confident85.7Confident99 Ų9953.9 Ų53.946%0.46328%0.282SS..Hα-helixtrans-53.2-46.4177.3-163.557.7-13000112.6Q1394 F1398 K1399Q1394-E1396 PolarHBondContact O-N 3.42Å; Q1394-E1396 VanDerWaalsContact O-N 3.16Å; E1396-F1398 PolarHBondContact O-N 3.06Å; E1396-F1398 VanDerWaalsContact O-N 3.08Å; E1396-K1399 WeakPolarHBondContact O-CB 3.2Å; E1396-K1399 PolarHBondContact O-N 2.92Å; E1396-K1399 VanDerWaalsContact O-N 3.15Å; E1396-K1399 IonicContact OE1-NZ 3.08Å; E1396-K1399 WeakPolarHBondContact OE2-CE 3.36Å; E1396-K1399 IonicContact OE2-NZ 2.78Å; E1396-K1399 PolarHBondContact OE2-NZ 3.02Å
1397S80.8Confident85.6Confident37 Ų3753.3 Ų53.326%0.25928%0.281SS..Hα-helixtrans-61.7-14.1174.9-470000114.8I1395 Y1572 I1576I1395-S1397 VanDerWaalsContact C-N 3.31Å; I1395-S1397 PolarHBondContact O-N 3.23Å; S1397-Y1572 WeakPolarHBondContact O-CE1 3.44Å; S1397-Y1572 PolarHBondContact O-OH 3.42Å; S1397-I1576 WeakPolarHBondContact O-CD1 3.48Å
1398F84Confident85.6Confident12 Ų1248.7 Ų48.75%0.05326%0.263CS..Hα-helixtrans-96.5-32.3177.2-161.2-109.1000110.8M1392 I1395 E1396 V1400 L1401 K1406 L1409 L1556 F1557M1392-F1398 HydrophobicContact CB-CD1 3.91Å; M1392-F1398 HydrophobicContact CB-CE1 3.79Å; M1392-F1398 HydrophobicContact CB-CG 4.49Å; M1392-F1398 HydrophobicContact CB-CZ 4.28Å; M1392-F1398 HydrophobicContact CE-CE1 4.25Å; M1392-F1398 HydrophobicContact CE-CZ 4.1Å; M1392-F1398 WeakPolarHBondContact O-CD1 3.4Å; M1392-F1398 HydrophobicContact SD-CE1 4.2Å; M1392-F1398 HydrophobicContact SD-CE2 4.17Å; M1392-F1398 HydrophobicContact SD-CZ 3.76Å; I1395-F1398 HydrophobicContact CB-CB 3.75Å; I1395-F1398 HydrophobicContact CG2-CB 3.87Å; I1395-F1398 WeakPolarHBondContact O-CA 3.32Å; I1395-F1398 WeakPolarHBondContact O-CB 3.36Å; I1395-F1398 PolarHBondContact O-N 3.32Å; E1396-F1398 PolarHBondContact O-N 3.06Å; E1396-F1398 VanDerWaalsContact O-N 3.08Å; F1398-V1400 PolarHBondContact O-N 3.48Å; F1398-V1400 VanDerWaalsContact O-N 3.16Å; F1398-L1401 HydrophobicContact CD2-CD1 3.92Å; F1398-L1401 HydrophobicContact CE2-CD1 4.19Å; F1398-L1401 PolarHBondContact O-N 3.26Å; F1398-L1401 VanDerWaalsContact O-N 3.08Å; F1398-K1406 HydrophobicContact CD1-CD 4.27Å; F1398-K1406 HydrophobicContact CD1-CG 3.98Å; F1398-K1406 HydrophobicContact CE1-CB 3.73Å; F1398-K1406 HydrophobicContact CE1-CD 4.08Å; F1398-K1406 HydrophobicContact CE1-CG 3.57Å; F1398-K1406 HydrophobicContact CE2-CB 4.44Å; F1398-K1406 HydrophobicContact CE2-CG 4.3Å; F1398-K1406 HydrophobicContact CZ-CB 3.64Å; F1398-K1406 HydrophobicContact CZ-CG 3.77Å; F1398-K1406 WeakPolarHBondContact O-CE 3.25Å; F1398-L1409 HydrophobicContact CE2-CB 4.47Å; F1398-L1409 HydrophobicContact CE2-CD1 4.23Å; F1398-L1556 HydrophobicContact CE2-CD1 4.4Å; F1398-L1556 HydrophobicContact CE2-CD2 4.48Å; F1398-F1557 HydrophobicContact CB-CZ 4.4Å; F1398-F1557 HydrophobicContact CD2-CE1 4.3Å; F1398-F1557 AromaticContact CD2-CZ 3.84Å; F1398-F1557 HydrophobicContact CD2-CZ 3.84Å
1399K84.4Confident85.6Confident105 Ų10548.2 Ų48.246%0.45726%0.26SS..Hα-helixtrans-51.8-39.8178.9-65.3179.3-169.9168.80112.9I1395 E1396 L1401 K1406I1395-K1399 PolarHBondContact O-N 3.44Å; I1395-K1399 VanDerWaalsContact O-N 3.15Å; E1396-K1399 WeakPolarHBondContact O-CB 3.2Å; E1396-K1399 PolarHBondContact O-N 2.92Å; E1396-K1399 VanDerWaalsContact O-N 3.15Å; E1396-K1399 IonicContact OE1-NZ 3.08Å; E1396-K1399 WeakPolarHBondContact OE2-CE 3.36Å; E1396-K1399 IonicContact OE2-NZ 2.78Å; E1396-K1399 PolarHBondContact OE2-NZ 3.02Å; K1399-L1401 VanDerWaalsContact C-N 3.31Å; K1399-L1401 PolarHBondContact O-N 3.12Å; K1399-K1406 PolarHBondContact O-NZ 3.04Å
1400V85.6Confident85.7Confident91 Ų9146.2 Ų46.255%0.55225%0.248SC*.THydrogen-bonded Turntrans-66.9-23-178.1-175.60000114.1F1398 Y1572F1398-V1400 PolarHBondContact O-N 3.48Å; F1398-V1400 VanDerWaalsContact O-N 3.16Å; V1400-Y1572 HydrophobicContact CB-CE1 4.2Å; V1400-Y1572 WeakPolarHBondContact CB-OH 3.3Å; V1400-Y1572 HydrophobicContact CG1-CE1 4.4Å; V1400-Y1572 HydrophobicContact CG1-CE2 4.43Å
1401L85Confident85.7Confident4 Ų443 Ų432%0.02123%0.231CC..SBendtrans-71.5147.2-179.7-72.2173.7000112.3F1398 K1399 D1405 K1406 L1409 F1557 N1569 Y1572F1398-L1401 HydrophobicContact CD2-CD1 3.92Å; F1398-L1401 HydrophobicContact CE2-CD1 4.19Å; F1398-L1401 PolarHBondContact O-N 3.26Å; F1398-L1401 VanDerWaalsContact O-N 3.08Å; K1399-L1401 VanDerWaalsContact C-N 3.31Å; K1399-L1401 PolarHBondContact O-N 3.12Å; L1401-D1405 HydrophobicContact CB-CB 4.46Å; L1401-D1405 HydrophobicContact CD2-CB 4.32Å; L1401-K1406 HydrophobicContact CB-CG 3.76Å; L1401-K1406 WeakPolarHBondContact O-CE 3.19Å; L1401-K1406 PolarHBondContact O-NZ 3.15Å; L1401-L1409 HydrophobicContact CD1-CD1 3.68Å; L1401-F1557 HydrophobicContact CD1-CE1 4.08Å; L1401-N1569 HydrophobicContact CD2-CB 3.57Å; L1401-Y1572 HydrophobicContact CD2-CD1 3.79Å; L1401-Y1572 HydrophobicContact CD2-CE1 4.19Å; L1401-Y1572 HydrophobicContact CG-CD1 4.32Å; L1401-Y1572 HydrophobicContact CG-CE1 4.23Å
1402P86.8Confident85.6Confident44 Ų4442.2 Ų42.229%0.28623%0.229SC..  trans-65.8157.1169.530.6-35.9000110.8E1404 D1405 K1406P1402-E1404 VanDerWaalsContact C-N 3.25Å; P1402-E1404 PolarHBondContact O-N 3.21Å; P1402-D1405 HydrophobicContact CG-CB 3.78Å; P1402-D1405 PolarHBondContact O-N 2.9Å; P1402-K1406 WeakPolarHBondContact O-CG 3.34Å; P1402-K1406 PolarHBondContact O-N 3.16Å
1403V85.7Confident85.8Confident100 Ų10042 Ų4261%0.60623%0.228SC*.Hα-helixtrans-60.3-34.1-174.6-179.30000112.5M1407V1403-M1407 WeakPolarHBondContact O-CG 3.28Å; V1403-M1407 PolarHBondContact O-N 3.12Å
1404E83.5Confident86.2Confident78 Ų7839 Ų3936%0.36420%0.203SC..Hα-helixtrans-65.3-51.7175.8-175.754.2-148.200111.3P1402 K1406 M1407 Q1408 T1567 R1667P1402-E1404 VanDerWaalsContact C-N 3.25Å; P1402-E1404 PolarHBondContact O-N 3.21Å; E1404-K1406 VanDerWaalsContact C-N 3.29Å; E1404-K1406 PolarHBondContact O-N 2.71Å; E1404-M1407 PolarHBondContact O-N 2.91Å; E1404-Q1408 WeakPolarHBondContact O-CG 3.41Å; E1404-Q1408 PolarHBondContact O-N 2.81Å; E1404-Q1408 PolarHBondContact OE1-NE2 3.35Å; E1404-T1567 HydrophobicContact CB-CG2 4.34Å; E1404-T1567 HydrophobicContact CG-CG2 3.75Å; E1404-R1667 IonicContact OE1-NH2 3.87Å
1405D87.1Confident86.5Confident0 Ų034.1 Ų34.10%018%0.18CC..Hα-helixtrans-59-39.7177.2-6911.4000111.5L1401 P1402 M1407 Q1408 L1409 L1566 T1567 S1568 N1569L1401-D1405 HydrophobicContact CB-CB 4.46Å; L1401-D1405 HydrophobicContact CD2-CB 4.32Å; P1402-D1405 HydrophobicContact CG-CB 3.78Å; P1402-D1405 PolarHBondContact O-N 2.9Å; D1405-M1407 PolarHBondContact O-N 2.9Å; D1405-Q1408 PolarHBondContact O-N 3.44Å; D1405-L1409 WeakPolarHBondContact O-CG 3.36Å; D1405-L1409 PolarHBondContact O-N 3Å; D1405-L1566 HydrophobicContact CB-CD2 3.95Å; D1405-T1567 WeakPolarHBondContact OD1-CB 3.4Å; D1405-T1567 PolarHBondContact OD1-N 3.44Å; D1405-T1567 PolarHBondContact OD1-OG1 3.02Å; D1405-S1568 PolarHBondContact OD2-N 3.2Å; D1405-N1569 PolarHBondContact OD2-N 3.15Å
1406K87.7Confident86.8Confident51 Ų5134.1 Ų34.122%0.22218%0.179CC..Hα-helixtrans-57-47.3172.8-71.4171.2170.3143.10111.9F1398 K1399 L1401 P1402 E1404 L1410F1398-K1406 HydrophobicContact CD1-CD 4.27Å; F1398-K1406 HydrophobicContact CD1-CG 3.98Å; F1398-K1406 HydrophobicContact CE1-CB 3.73Å; F1398-K1406 HydrophobicContact CE1-CD 4.08Å; F1398-K1406 HydrophobicContact CE1-CG 3.57Å; F1398-K1406 HydrophobicContact CE2-CB 4.44Å; F1398-K1406 HydrophobicContact CE2-CG 4.3Å; F1398-K1406 HydrophobicContact CZ-CB 3.64Å; F1398-K1406 HydrophobicContact CZ-CG 3.77Å; F1398-K1406 WeakPolarHBondContact O-CE 3.25Å; K1399-K1406 PolarHBondContact O-NZ 3.04Å; L1401-K1406 HydrophobicContact CB-CG 3.76Å; L1401-K1406 WeakPolarHBondContact O-CE 3.19Å; L1401-K1406 PolarHBondContact O-NZ 3.15Å; P1402-K1406 WeakPolarHBondContact O-CG 3.34Å; P1402-K1406 PolarHBondContact O-N 3.16Å; E1404-K1406 VanDerWaalsContact C-N 3.29Å; E1404-K1406 PolarHBondContact O-N 2.71Å; K1406-L1410 WeakPolarHBondContact O-CB 3.49Å; K1406-L1410 PolarHBondContact O-N 3.1Å; K1406-L1410 VanDerWaalsContact O-N 3.16Å
1407M86.4Confident87.2Confident34 Ų3429.6 Ų29.617%0.16716%0.159CC..Hα-helixtrans-68.7-36.5178.2-72.3-164.27400112.4R180 V1403 E1404 D1405 L1410 N1411R180-M1407 PolarHBondContact NH1-SD 3.4Å; V1403-M1407 WeakPolarHBondContact O-CG 3.28Å; V1403-M1407 PolarHBondContact O-N 3.12Å; E1404-M1407 PolarHBondContact O-N 2.91Å; D1405-M1407 PolarHBondContact O-N 2.9Å; M1407-L1410 PolarHBondContact O-N 3.14Å; M1407-N1411 VanDerWaalsContact O-CB 3.26Å; M1407-N1411 WeakPolarHBondContact O-CB 3.31Å; M1407-N1411 PolarHBondContact O-N 3.34Å; M1407-N1411 PolarHBondContact O-ND2 3.45Å; M1407-N1411 PolarHBondContact O-OD1 3.5Å
1408Q86Confident87.7Confident9 Ų928.5 Ų28.54%0.04215%0.15CC..Hα-helixtrans-65.1-43.9177.7-68-162.635.400112.6E1404 D1405 S1412 T1564 F1565 L1566 R1667E1404-Q1408 WeakPolarHBondContact O-CG 3.41Å; E1404-Q1408 PolarHBondContact O-N 2.81Å; E1404-Q1408 PolarHBondContact OE1-NE2 3.35Å; D1405-Q1408 PolarHBondContact O-N 3.44Å; Q1408-S1412 WeakPolarHBondContact O-CB 3.47Å; Q1408-S1412 PolarHBondContact O-N 2.98Å; Q1408-T1564 HydrophobicContact CB-CG2 4.38Å; Q1408-F1565 PolarHBondContact NE2-O 3.13Å; Q1408-F1565 VanDerWaalsContact NE2-O 3.17Å; Q1408-F1565 VanDerWaalsContact OE1-C 3.28Å; Q1408-F1565 PolarHBondContact OE1-O 3.47Å; Q1408-F1565 VanDerWaalsContact OE1-O 3.04Å; Q1408-L1566 HydrophobicContact CB-CD2 4.12Å; Q1408-R1667 VanDerWaalsContact CD-NH1 3.3Å
1409L88.3Confident88Confident0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-63.5-41.6175.4-66.1-179.6000111.8F1398 L1401 D1405 S1412 S1413 L1556 F1557 L1566F1398-L1409 HydrophobicContact CE2-CB 4.47Å; F1398-L1409 HydrophobicContact CE2-CD1 4.23Å; L1401-L1409 HydrophobicContact CD1-CD1 3.68Å; D1405-L1409 WeakPolarHBondContact O-CG 3.36Å; D1405-L1409 PolarHBondContact O-N 3Å; L1409-S1412 PolarHBondContact O-OG 3.4Å; L1409-S1413 VanDerWaalsContact O-CB 3.31Å; L1409-S1413 WeakPolarHBondContact O-CB 3.31Å; L1409-S1413 PolarHBondContact O-N 2.91Å; L1409-S1413 VanDerWaalsContact O-N 3.11Å; L1409-S1413 PolarHBondContact O-OG 3.01Å; L1409-L1556 HydrophobicContact CB-CD1 4.1Å; L1409-L1556 WeakPolarHBondContact CD2-O 3.16Å; L1409-F1557 HydrophobicContact CD1-CD1 4.14Å; L1409-F1557 HydrophobicContact CD1-CE1 4.33Å; L1409-L1566 HydrophobicContact CD2-CD1 4.26Å; L1409-L1566 HydrophobicContact CD2-CD2 4.02Å; L1409-L1566 HydrophobicContact CG-CD2 4.11Å
1410L89.2Confident88.3Confident11 Ų1123.2 Ų23.26%0.05813%0.127CC..Hα-helixtrans-62.9-54.4175.1174.453.1000112L1388 V1389 M1392 K1406 M1407 S1412 S1413 W1414 M1660L1388-L1410 HydrophobicContact CD2-CD1 3.58Å; L1388-L1410 HydrophobicContact CG-CD1 4.12Å; V1389-L1410 HydrophobicContact CG2-CD2 3.71Å; M1392-L1410 HydrophobicContact CE-CB 3.94Å; M1392-L1410 HydrophobicContact CE-CD1 3.67Å; M1392-L1410 HydrophobicContact CE-CD2 3.82Å; M1392-L1410 HydrophobicContact CE-CG 3.98Å; M1392-L1410 HydrophobicContact SD-CD1 4.49Å; K1406-L1410 WeakPolarHBondContact O-CB 3.49Å; K1406-L1410 PolarHBondContact O-N 3.1Å; K1406-L1410 VanDerWaalsContact O-N 3.16Å; M1407-L1410 PolarHBondContact O-N 3.14Å; L1410-S1412 PolarHBondContact O-N 2.92Å; L1410-S1413 PolarHBondContact O-N 3.29Å; L1410-S1413 VanDerWaalsContact O-N 3.12Å; L1410-W1414 HydrophobicContact CD1-CB 4.01Å; L1410-W1414 WeakPolarHBondContact O-CB 3.48Å; L1410-W1414 PolarHBondContact O-N 3.3Å; L1410-M1660 HydrophobicContact CD1-SD 4.41Å; L1410-M1660 HydrophobicContact CD2-CE 3.43Å; L1410-M1660 VanDerWaalsContact CD2-CE 3.43Å; L1410-M1660 HydrophobicContact CD2-SD 4.14Å; L1410-M1660 HydrophobicContact CG-CE 3.9Å; L1410-M1660 HydrophobicContact CG-SD 3.89Å
1411N86.5Confident88.4Confident20 Ų2020.8 Ų20.811%0.10711%0.109CC..Hα-helixtrans-56.3-38.8-178.7-67.6-10.4000110.8M1407 W1414 M1660 T1663 K1664M1407-N1411 VanDerWaalsContact O-CB 3.26Å; M1407-N1411 WeakPolarHBondContact O-CB 3.31Å; M1407-N1411 PolarHBondContact O-N 3.34Å; M1407-N1411 PolarHBondContact O-ND2 3.45Å; M1407-N1411 PolarHBondContact O-OD1 3.5Å; N1411-W1414 VanDerWaalsContact O-CD1 3.27Å; N1411-M1660 PolarHBondContact OD1-SD 2.91Å; N1411-T1663 PolarHBondContact ND2-OG1 2.92Å; N1411-K1664 WeakPolarHBondContact O-CD 3.09Å; N1411-K1664 WeakPolarHBondContact O-CE 3.43Å; N1411-K1664 PolarHBondContact O-NZ 3.25Å
1412S86Confident88.4Confident7 Ų720.9 Ų20.95%0.04911%0.11CC..Hα-helixtrans-73.2-36.1179.286.30000113.3Q1408 L1409 L1410 K1561 T1564 K1664Q1408-S1412 WeakPolarHBondContact O-CB 3.47Å; Q1408-S1412 PolarHBondContact O-N 2.98Å; L1409-S1412 PolarHBondContact O-OG 3.4Å; L1410-S1412 PolarHBondContact O-N 2.92Å; S1412-K1561 VanDerWaalsContact O-CE 3.3Å; S1412-K1561 WeakPolarHBondContact O-CE 3.26Å; S1412-K1561 PolarHBondContact O-NZ 3.13Å; S1412-T1564 VanDerWaalsContact CB-CG2 3.49Å; S1412-K1664 VanDerWaalsContact O-CE 3.32Å; S1412-K1664 WeakPolarHBondContact O-CE 3.26Å; S1412-K1664 PolarHBondContact O-NZ 2.91Å
1413S90.2Very high88.5Confident0 Ų018.8 Ų18.80%010%0.096CC..Hα-helixtrans-105-19-16664.60000116.7L1409 L1410 S1415 E1416 I1417 L1556L1409-S1413 VanDerWaalsContact O-CB 3.31Å; L1409-S1413 WeakPolarHBondContact O-CB 3.31Å; L1409-S1413 PolarHBondContact O-N 2.91Å; L1409-S1413 VanDerWaalsContact O-N 3.11Å; L1409-S1413 PolarHBondContact O-OG 3.01Å; L1410-S1413 PolarHBondContact O-N 3.29Å; L1410-S1413 VanDerWaalsContact O-N 3.12Å; S1413-S1415 VanDerWaalsContact C-N 3.33Å; S1413-S1415 PolarHBondContact O-N 3.28Å; S1413-S1415 VanDerWaalsContact O-N 3.07Å; S1413-E1416 PolarHBondContact O-N 2.71Å; S1413-I1417 PolarHBondContact O-N 3.47Å; S1413-I1417 VanDerWaalsContact O-N 3.16Å; S1413-I1417 WeakPolarHBondContact OG-CD1 3.32Å; S1413-L1556 WeakPolarHBondContact OG-CD1 3.41Å
1414W92.1Very high88.6Confident1 Ų114.2 Ų14.20%0.0047%0.068CC..Hα-helixtrans-48.7-45.2-165.969-97.8000116L1385 L1388 L1410 N1411 I1417 I1418 E1639 L1642 L1657 M1660 L1661L1385-W1414 HydrophobicContact CD2-CB 3.76Å; L1385-W1414 HydrophobicContact CD2-CD2 4Å; L1385-W1414 HydrophobicContact CD2-CE3 3.83Å; L1385-W1414 HydrophobicContact CD2-CG 4.01Å; L1385-W1414 HydrophobicContact CG-CE3 4.48Å; L1388-W1414 HydrophobicContact CD2-CB 3.76Å; L1410-W1414 HydrophobicContact CD1-CB 4.01Å; L1410-W1414 WeakPolarHBondContact O-CB 3.48Å; L1410-W1414 PolarHBondContact O-N 3.3Å; N1411-W1414 VanDerWaalsContact O-CD1 3.27Å; W1414-I1417 PolarHBondContact O-N 3.09Å; W1414-I1418 HydrophobicContact CE3-CD1 4.03Å; W1414-I1418 HydrophobicContact CZ3-CD1 4.47Å; W1414-I1418 WeakPolarHBondContact O-CG1 3.24Å; W1414-I1418 PolarHBondContact O-N 3.48Å; W1414-E1639 HydrophobicContact CH2-CG 4.41Å; W1414-E1639 HydrophobicContact CZ2-CG 4.03Å; W1414-L1642 HydrophobicContact CH2-CD1 4.2Å; W1414-L1657 HydrophobicContact CH2-CD1 3.8Å; W1414-L1657 HydrophobicContact CZ3-CD1 4.08Å; W1414-M1660 HydrophobicContact CD2-CB 4.42Å; W1414-M1660 HydrophobicContact CZ2-CB 4.37Å; W1414-M1660 PolarHBondContact NE1-O 2.89Å; W1414-L1661 HydrophobicContact CH2-CD2 4.08Å; W1414-L1661 HydrophobicContact CH2-CG 4.41Å; W1414-L1661 HydrophobicContact CZ2-CD2 3.81Å; W1414-L1661 HydrophobicContact CZ2-CG 4.09Å
1415S90.8Very high88.6Confident0 Ų011.3 Ų11.30%05%0.054CC..Hα-helixtrans-66.8-39.1-176.848.50000112.9S1413 L1419 E1639 K1664S1413-S1415 VanDerWaalsContact C-N 3.33Å; S1413-S1415 PolarHBondContact O-N 3.28Å; S1413-S1415 VanDerWaalsContact O-N 3.07Å; S1415-L1419 WeakPolarHBondContact O-CB 3.49Å; S1415-L1419 PolarHBondContact O-N 2.99Å; S1415-E1639 WeakPolarHBondContact CB-OE1 3.38Å; S1415-E1639 PolarHBondContact OG-OE1 3.27Å; S1415-K1664 PolarHBondContact OG-NZ 3.05Å
1416E92.7Very high88.4Confident13 Ų1311.9 Ų11.96%0.0616%0.057CC..Hα-helixtrans-71.9-34.4175.9-71.1169-165.100111.6S1413 L1419 L1420 V1555 K1561 I1631 K1632 A1635S1413-E1416 PolarHBondContact O-N 2.71Å; E1416-L1419 PolarHBondContact O-N 2.92Å; E1416-L1420 VanDerWaalsContact O-CB 3.31Å; E1416-L1420 WeakPolarHBondContact O-CB 3.28Å; E1416-L1420 WeakPolarHBondContact O-CG 3.31Å; E1416-L1420 PolarHBondContact O-N 3.35Å; E1416-V1555 HydrophobicContact CB-CG1 3.74Å; E1416-V1555 WeakPolarHBondContact OE2-CG1 3.44Å; E1416-K1561 VanDerWaalsContact OE1-CE 3.28Å; E1416-K1561 WeakPolarHBondContact OE1-CE 3.41Å; E1416-K1561 IonicContact OE1-NZ 2.75Å; E1416-K1561 PolarHBondContact OE1-NZ 3.11Å; E1416-K1561 IonicContact OE2-NZ 3.75Å; E1416-K1561 PolarHBondContact OE2-NZ 3.1Å; E1416-I1631 HydrophobicContact CB-CG2 3.99Å; E1416-I1631 HydrophobicContact CG-CG2 4.04Å; E1416-K1632 VanDerWaalsContact OE1-CA 3.28Å; E1416-K1632 WeakPolarHBondContact OE1-CA 3.3Å; E1416-K1632 VanDerWaalsContact OE1-CB 3.24Å; E1416-K1632 WeakPolarHBondContact OE1-CB 3.26Å; E1416-K1632 VanDerWaalsContact OE1-CG 3.29Å; E1416-K1632 WeakPolarHBondContact OE1-CG 3.28Å; E1416-A1635 HydrophobicContact CB-CB 4.31Å; E1416-A1635 HydrophobicContact CG-CB 3.42Å; E1416-A1635 VanDerWaalsContact CG-CB 3.42Å
1417I92.8Very high88.2Confident5 Ų510.2 Ų10.23%0.0265%0.051CC..Hα-helixtrans-71.4-41.4177.2-57.3170.5000110.7L1388 S1413 W1414 L1419 L1420 E1421 K1552 V1555 L1556L1388-I1417 HydrophobicContact CD1-CB 4.12Å; L1388-I1417 HydrophobicContact CD1-CD1 4.03Å; L1388-I1417 HydrophobicContact CD1-CG2 3.59Å; S1413-I1417 PolarHBondContact O-N 3.47Å; S1413-I1417 VanDerWaalsContact O-N 3.16Å; S1413-I1417 WeakPolarHBondContact OG-CD1 3.32Å; W1414-I1417 PolarHBondContact O-N 3.09Å; I1417-L1419 VanDerWaalsContact C-N 3.35Å; I1417-L1420 PolarHBondContact O-N 3.03Å; I1417-E1421 PolarHBondContact O-N 3.01Å; I1417-K1552 HydrophobicContact CG2-CB 4.34Å; I1417-K1552 HydrophobicContact CG2-CG 4.23Å; I1417-V1555 HydrophobicContact CG1-CG1 3.87Å; I1417-L1556 HydrophobicContact CD1-CB 3.89Å; I1417-L1556 HydrophobicContact CD1-CD1 4.17Å
1418I90.4Very high87.8Confident14 Ų149.9 Ų9.97%0.0725%0.051CC..Hα-helixtrans-63.3-41.5173.3-68.8178.2000110.9L1381 C1384 L1385 W1414 E1421 F1422L1381-I1418 HydrophobicContact CD2-CD1 4.15Å; L1381-I1418 HydrophobicContact CD2-CG2 3.88Å; C1384-I1418 HydrophobicContact CB-CD1 3.75Å; C1384-I1418 HydrophobicContact CB-CG1 4.09Å; L1385-I1418 HydrophobicContact CD2-CD1 4.2Å; L1385-I1418 HydrophobicContact CG-CD1 4.14Å; W1414-I1418 HydrophobicContact CE3-CD1 4.03Å; W1414-I1418 HydrophobicContact CZ3-CD1 4.47Å; W1414-I1418 WeakPolarHBondContact O-CG1 3.24Å; W1414-I1418 PolarHBondContact O-N 3.48Å; I1418-E1421 PolarHBondContact O-N 3.23Å; I1418-F1422 PolarHBondContact O-N 3.11Å
1419L89.8Confident87Confident5 Ų512.6 Ų12.63%0.0266%0.063CC..Hα-helixtrans-66.5-39.8176.4-171.762.2000111.9S1415 E1416 I1417 E1421 F1422 I1423 L1510 L1531 I1631 L1634 A1635S1415-L1419 WeakPolarHBondContact O-CB 3.49Å; S1415-L1419 PolarHBondContact O-N 2.99Å; E1416-L1419 PolarHBondContact O-N 2.92Å; I1417-L1419 VanDerWaalsContact C-N 3.35Å; L1419-E1421 VanDerWaalsContact C-N 3.3Å; L1419-E1421 PolarHBondContact O-N 3.44Å; L1419-F1422 HydrophobicContact CD1-CD1 4.12Å; L1419-F1422 WeakPolarHBondContact O-CB 3.28Å; L1419-F1422 PolarHBondContact O-N 2.96Å; L1419-I1423 HydrophobicContact CG-CD1 4.01Å; L1419-I1423 WeakPolarHBondContact O-CD1 3.29Å; L1419-I1423 VanDerWaalsContact O-CG1 3.25Å; L1419-I1423 WeakPolarHBondContact O-CG1 3.33Å; L1419-I1423 PolarHBondContact O-N 2.81Å; L1419-L1510 HydrophobicContact CD1-CD1 4.34Å; L1419-L1531 HydrophobicContact CD1-CD1 4.31Å; L1419-I1631 HydrophobicContact CD2-CG2 4.39Å; L1419-L1634 HydrophobicContact CD2-CB 3.52Å; L1419-L1634 HydrophobicContact CD2-CD1 4.39Å; L1419-A1635 HydrophobicContact CD2-CB 4.48Å
1420L91.7Very high85.9Confident0 Ų012.9 Ų12.90%07%0.065CC..Hα-helixtrans-60.8-36171.1-89168000112.6E1416 I1417 H1424 F1548 L1551 K1552 V1555 L1628 I1631E1416-L1420 VanDerWaalsContact O-CB 3.31Å; E1416-L1420 WeakPolarHBondContact O-CB 3.28Å; E1416-L1420 WeakPolarHBondContact O-CG 3.31Å; E1416-L1420 PolarHBondContact O-N 3.35Å; I1417-L1420 PolarHBondContact O-N 3.03Å; L1420-H1424 WeakPolarHBondContact O-CB 3.44Å; L1420-H1424 PolarHBondContact O-N 2.81Å; L1420-F1548 HydrophobicContact CD2-CD1 4.45Å; L1420-L1551 HydrophobicContact CD1-CB 4.19Å; L1420-L1551 HydrophobicContact CD2-CB 4.17Å; L1420-L1551 HydrophobicContact CD2-CD1 4.23Å; L1420-K1552 HydrophobicContact CB-CG 4.26Å; L1420-K1552 HydrophobicContact CD1-CG 4.34Å; L1420-V1555 HydrophobicContact CD1-CB 4.41Å; L1420-V1555 HydrophobicContact CD1-CG2 3.93Å; L1420-L1628 HydrophobicContact CD1-CD2 4.45Å; L1420-I1631 HydrophobicContact CD2-CD1 3.69Å; L1420-I1631 HydrophobicContact CG-CD1 4.14Å; L1420-I1631 HydrophobicContact CG-CG2 4.39Å
1421E87.8Confident84.5Confident40 Ų4013.5 Ų13.519%0.1877%0.068CC..Hα-helixtrans-68.1-42.3174.9-159.968.2-97.300111.8F1211 I1417 I1418 L1419 H1424 F1425 K1552F1211-E1421 WeakPolarHBondContact CE1-OE2 3.47Å; F1211-E1421 HydrophobicContact CZ-CG 4.48Å; F1211-E1421 VanDerWaalsContact CZ-OE2 3.28Å; F1211-E1421 WeakPolarHBondContact CZ-OE2 3.43Å; I1417-E1421 PolarHBondContact O-N 3.01Å; I1418-E1421 PolarHBondContact O-N 3.23Å; L1419-E1421 VanDerWaalsContact C-N 3.3Å; L1419-E1421 PolarHBondContact O-N 3.44Å; E1421-H1424 PolarHBondContact O-N 2.99Å; E1421-H1424 IonicContact OE1-CE1 2.71Å; E1421-H1424 PolarHBondContact OE1-CE1 2.92Å; E1421-H1424 IonicContact OE1-CG 3.47Å; E1421-H1424 IonicContact OE1-ND1 2.62Å; E1421-H1424 PolarHBondContact OE1-ND1 2.84Å; E1421-H1424 IonicContact OE1-NE2 2.68Å; E1421-H1424 IonicContact OE2-CE1 2.66Å; E1421-F1425 PolarHBondContact O-N 2.63Å; E1421-K1552 IonicContact OE1-NZ 3.26Å; E1421-K1552 PolarHBondContact OE1-NZ 3.5Å; E1421-K1552 WeakPolarHBondContact OE2-CE 3.4Å; E1421-K1552 IonicContact OE2-NZ 2.77Å; E1421-K1552 PolarHBondContact OE2-NZ 3.13Å
1422F85.8Confident82.6Confident6 Ų616.4 Ų16.43%0.0268%0.084CC..Hα-helixtrans-59-48.2172.7166.9-94.5000111.8I1418 L1419 F1425 Y1426 C1503 I1506 E1507 L1531 L1535I1418-F1422 PolarHBondContact O-N 3.11Å; L1419-F1422 HydrophobicContact CD1-CD1 4.12Å; L1419-F1422 WeakPolarHBondContact O-CB 3.28Å; L1419-F1422 PolarHBondContact O-N 2.96Å; F1422-F1425 PolarHBondContact O-N 3.12Å; F1422-Y1426 HydrophobicContact CZ-CD2 4.07Å; F1422-Y1426 WeakPolarHBondContact O-CB 3.32Å; F1422-Y1426 PolarHBondContact O-N 3.16Å; F1422-C1503 HydrophobicContact CD2-CB 4.08Å; F1422-C1503 WeakPolarHBondContact CD2-SG 3.48Å; F1422-C1503 HydrophobicContact CE2-CB 3.82Å; F1422-C1503 WeakPolarHBondContact CE2-O 3.24Å; F1422-I1506 HydrophobicContact CB-CD1 4.32Å; F1422-I1506 HydrophobicContact CB-CG2 4.4Å; F1422-I1506 HydrophobicContact CD1-CG2 4.29Å; F1422-I1506 HydrophobicContact CD2-CB 3.63Å; F1422-I1506 HydrophobicContact CD2-CD1 4.04Å; F1422-I1506 HydrophobicContact CD2-CG1 4.44Å; F1422-I1506 HydrophobicContact CD2-CG2 3.42Å; F1422-I1506 VanDerWaalsContact CD2-CG2 3.42Å; F1422-I1506 HydrophobicContact CE2-CB 3.81Å; F1422-I1506 HydrophobicContact CE2-CG2 3.68Å; F1422-I1506 HydrophobicContact CG-CB 4.43Å; F1422-I1506 HydrophobicContact CG-CG2 3.77Å; F1422-I1506 HydrophobicContact CZ-CG2 4.23Å; F1422-E1507 HydrophobicContact CE2-CB 4.38Å; F1422-E1507 HydrophobicContact CZ-CB 4.23Å; F1422-L1531 HydrophobicContact CE1-CD1 4.14Å; F1422-L1531 HydrophobicContact CE1-CD2 4.41Å; F1422-L1535 HydrophobicContact CE1-CD1 4.33Å; F1422-L1535 HydrophobicContact CE1-CD2 4.39Å
1423I87.7Confident80.6Confident0 Ų017.6 Ų17.60%09%0.094CC..Hα-helixtrans-61.3-47.8177.1-66.9156000110.4L1419 F1425 Y1426 V1427 L1534 L1535 F1538 F1548 I1631L1419-I1423 HydrophobicContact CG-CD1 4.01Å; L1419-I1423 WeakPolarHBondContact O-CD1 3.29Å; L1419-I1423 VanDerWaalsContact O-CG1 3.25Å; L1419-I1423 WeakPolarHBondContact O-CG1 3.33Å; L1419-I1423 PolarHBondContact O-N 2.81Å; I1423-F1425 PolarHBondContact O-N 3.21Å; I1423-Y1426 PolarHBondContact O-N 3.06Å; I1423-Y1426 VanDerWaalsContact O-N 3.15Å; I1423-V1427 HydrophobicContact CG2-CG2 4.25Å; I1423-V1427 VanDerWaalsContact O-CG2 3.3Å; I1423-V1427 WeakPolarHBondContact O-CG2 3.49Å; I1423-V1427 PolarHBondContact O-N 3.07Å; I1423-L1534 HydrophobicContact CD1-CD2 3.36Å; I1423-L1534 HydrophobicContact CG1-CD2 4.01Å; I1423-L1535 HydrophobicContact CB-CD2 4.33Å; I1423-L1535 HydrophobicContact CG1-CD2 4.12Å; I1423-L1535 HydrophobicContact CG2-CD2 4.23Å; I1423-F1538 HydrophobicContact CG2-CB 4.04Å; I1423-F1538 HydrophobicContact CG2-CD1 4.24Å; I1423-F1538 HydrophobicContact CG2-CD2 3.91Å; I1423-F1538 HydrophobicContact CG2-CE2 4.47Å; I1423-F1538 HydrophobicContact CG2-CG 3.79Å; I1423-F1548 HydrophobicContact CG2-CE1 3.87Å; I1423-F1548 HydrophobicContact CG2-CZ 4.22Å; I1423-I1631 HydrophobicContact CD1-CD1 4.03Å; I1423-I1631 HydrophobicContact CD1-CG1 3.79Å
1424H88.7Confident78.5Confident5 Ų522.8 Ų22.82%0.02312%0.116CC..Hα-helixtrans-56.3-48.9178.8172.8-134.9000111.6L1420 E1421 T1428 F1548 K1552L1420-H1424 WeakPolarHBondContact O-CB 3.44Å; L1420-H1424 PolarHBondContact O-N 2.81Å; E1421-H1424 PolarHBondContact O-N 2.99Å; E1421-H1424 IonicContact OE1-CE1 2.71Å; E1421-H1424 PolarHBondContact OE1-CE1 2.92Å; E1421-H1424 IonicContact OE1-CG 3.47Å; E1421-H1424 IonicContact OE1-ND1 2.62Å; E1421-H1424 PolarHBondContact OE1-ND1 2.84Å; E1421-H1424 IonicContact OE1-NE2 2.68Å; E1421-H1424 IonicContact OE2-CE1 2.66Å; H1424-T1428 WeakPolarHBondContact O-CB 3.48Å; H1424-T1428 WeakPolarHBondContact O-CG2 3.19Å; H1424-T1428 PolarHBondContact O-N 3.27Å; H1424-T1428 PolarHBondContact O-OG1 3.26Å; H1424-F1548 HydrophobicContact CB-CB 4.33Å; H1424-F1548 HydrophobicContact CB-CD1 3.77Å; H1424-F1548 HydrophobicContact CB-CD2 4.36Å; H1424-F1548 HydrophobicContact CB-CE1 4.09Å; H1424-F1548 HydrophobicContact CB-CG 3.91Å; H1424-F1548 HydrophobicContact CB-CZ 4.49Å; H1424-F1548 AromaticContact CD2-CD2 3.38Å; H1424-F1548 WeakPolarHBondContact CD2-CD2 3.22Å; H1424-F1548 AromaticContact CD2-CG 3.52Å; H1424-F1548 AromaticContact CG-CG 3.91Å; H1424-K1552 PolarHBondContact CE1-NZ 3.35Å
1425F83.6Confident75.8Confident16 Ų1629.6 Ų29.67%0.0714%0.142CC..Hα-helixtrans-65.3-40.4175.3-175.2-90000112.4E1421 F1422 I1423 V1427 T1428 H1429 L1430 S1499 C1503E1421-F1425 PolarHBondContact O-N 2.63Å; F1422-F1425 PolarHBondContact O-N 3.12Å; I1423-F1425 PolarHBondContact O-N 3.21Å; F1425-V1427 PolarHBondContact O-N 3.35Å; F1425-T1428 PolarHBondContact O-N 3.25Å; F1425-T1428 PolarHBondContact O-OG1 2.85Å; F1425-H1429 HydrophobicContact CD1-CB 4.23Å; F1425-H1429 HydrophobicContact CD2-CB 4.01Å; F1425-H1429 AromaticContact CD2-CD2 3.25Å; F1425-H1429 WeakPolarHBondContact CD2-CD2 3.33Å; F1425-H1429 AromaticContact CD2-CG 3.82Å; F1425-H1429 HydrophobicContact CE1-CB 3.78Å; F1425-H1429 HydrophobicContact CE2-CB 3.49Å; F1425-H1429 VanDerWaalsContact CE2-CB 3.49Å; F1425-H1429 AromaticContact CE2-CD2 3.2Å; F1425-H1429 WeakPolarHBondContact CE2-CD2 3.44Å; F1425-H1429 AromaticContact CE2-CG 3.34Å; F1425-H1429 AromaticContact CE2-NE2 3.96Å; F1425-H1429 HydrophobicContact CG-CB 4.36Å; F1425-H1429 HydrophobicContact CZ-CB 3.37Å; F1425-H1429 AromaticContact CZ-CG 3.77Å; F1425-H1429 WeakPolarHBondContact O-CB 3.29Å; F1425-H1429 PolarHBondContact O-N 3.41Å; F1425-L1430 HydrophobicContact CD1-CD1 4.3Å; F1425-L1430 HydrophobicContact CE1-CD1 4.26Å; F1425-L1430 HydrophobicContact CE1-CG 4.43Å; F1425-S1499 WeakPolarHBondContact CD2-OG 3.37Å; F1425-S1499 VanDerWaalsContact CE1-C 3.5Å; F1425-S1499 VanDerWaalsContact CE1-O 3.27Å; F1425-S1499 WeakPolarHBondContact CE1-O 3.45Å; F1425-S1499 WeakPolarHBondContact CE2-OG 3.39Å; F1425-S1499 WeakPolarHBondContact CG-OG 3.41Å; F1425-S1499 VanDerWaalsContact CZ-CB 3.41Å; F1425-C1503 HydrophobicContact CD1-CB 4.23Å; F1425-C1503 WeakPolarHBondContact CD1-SG 3.46Å
1426Y82.3Confident73.1Confident12 Ų1233.8 Ų33.85%0.04717%0.168CC..Iπ-helixtrans-59.6-48.4179.8-164.7-71.4000111.6F1422 I1423 L1430 N1431 K1434 E1507 L1535F1422-Y1426 HydrophobicContact CZ-CD2 4.07Å; F1422-Y1426 WeakPolarHBondContact O-CB 3.32Å; F1422-Y1426 PolarHBondContact O-N 3.16Å; I1423-Y1426 PolarHBondContact O-N 3.06Å; I1423-Y1426 VanDerWaalsContact O-N 3.15Å; Y1426-L1430 HydrophobicContact CD1-CB 4.3Å; Y1426-L1430 HydrophobicContact CD2-CB 4.37Å; Y1426-L1430 HydrophobicContact CD2-CD1 3.66Å; Y1426-L1430 HydrophobicContact CE1-CB 4.49Å; Y1426-L1430 HydrophobicContact CE2-CD1 4.06Å; Y1426-L1430 HydrophobicContact CG-CB 4.22Å; Y1426-L1430 HydrophobicContact CG-CD1 4.16Å; Y1426-L1430 WeakPolarHBondContact O-CB 3.44Å; Y1426-L1430 PolarHBondContact O-N 3.3Å; Y1426-N1431 PolarHBondContact O-N 3.07Å; Y1426-K1434 PolarHBondContact OH-NZ 2.97Å; Y1426-E1507 WeakPolarHBondContact CE2-OE2 3.39Å; Y1426-L1535 HydrophobicContact CD1-CD1 4.17Å; Y1426-L1535 HydrophobicContact CD1-CD2 3.85Å; Y1426-L1535 HydrophobicContact CD1-CG 4.45Å; Y1426-L1535 HydrophobicContact CD2-CD1 3.94Å; Y1426-L1535 HydrophobicContact CD2-CD2 4.25Å; Y1426-L1535 HydrophobicContact CE1-CD1 4.18Å; Y1426-L1535 HydrophobicContact CE2-CD1 3.93Å; Y1426-L1535 HydrophobicContact CG-CD1 4.07Å; Y1426-L1535 HydrophobicContact CG-CD2 3.67Å; Y1426-L1535 HydrophobicContact CG-CG 4.48Å
1427V83Confident70.3Confident16 Ų1636.6 Ų36.610%0.09718%0.183CC..Iπ-helixtrans-66.4-42.2-179.81750000111.4I1423 F1425 F1538 Q1539 F1548I1423-V1427 HydrophobicContact CG2-CG2 4.25Å; I1423-V1427 VanDerWaalsContact O-CG2 3.3Å; I1423-V1427 WeakPolarHBondContact O-CG2 3.49Å; I1423-V1427 PolarHBondContact O-N 3.07Å; F1425-V1427 PolarHBondContact O-N 3.35Å; V1427-F1538 HydrophobicContact CG2-CB 3.87Å; V1427-Q1539 HydrophobicContact CB-CG 4.47Å; V1427-Q1539 HydrophobicContact CG1-CG 4.24Å; V1427-Q1539 HydrophobicContact CG2-CG 3.97Å; V1427-F1548 HydrophobicContact CB-CE2 4.49Å; V1427-F1548 HydrophobicContact CB-CZ 4.28Å; V1427-F1548 HydrophobicContact CG1-CE2 4.42Å; V1427-F1548 HydrophobicContact CG2-CZ 4.27Å
1428T79Confident67.4Low28 Ų2840.6 Ų40.617%0.17221%0.208CC..Iπ-helixtrans-82.8-32.1-173.853.90000114.7H1424 F1425 N1432H1424-T1428 WeakPolarHBondContact O-CB 3.48Å; H1424-T1428 WeakPolarHBondContact O-CG2 3.19Å; H1424-T1428 PolarHBondContact O-N 3.27Å; H1424-T1428 PolarHBondContact O-OG1 3.26Å; F1425-T1428 PolarHBondContact O-N 3.25Å; F1425-T1428 PolarHBondContact O-OG1 2.85Å; T1428-N1432 PolarHBondContact O-ND2 2.64Å
1429H69.5Low64.6Low65 Ų6546 Ų4630%0.30124%0.236SC..Iπ-helixtrans-116.9-51.4-173.4-69.3-80.4000113.7F1425 N1432 A1433F1425-H1429 HydrophobicContact CD1-CB 4.23Å; F1425-H1429 HydrophobicContact CD2-CB 4.01Å; F1425-H1429 AromaticContact CD2-CD2 3.25Å; F1425-H1429 WeakPolarHBondContact CD2-CD2 3.33Å; F1425-H1429 AromaticContact CD2-CG 3.82Å; F1425-H1429 HydrophobicContact CE1-CB 3.78Å; F1425-H1429 HydrophobicContact CE2-CB 3.49Å; F1425-H1429 VanDerWaalsContact CE2-CB 3.49Å; F1425-H1429 AromaticContact CE2-CD2 3.2Å; F1425-H1429 WeakPolarHBondContact CE2-CD2 3.44Å; F1425-H1429 AromaticContact CE2-CG 3.34Å; F1425-H1429 AromaticContact CE2-NE2 3.96Å; F1425-H1429 HydrophobicContact CG-CB 4.36Å; F1425-H1429 HydrophobicContact CZ-CB 3.37Å; F1425-H1429 AromaticContact CZ-CG 3.77Å; F1425-H1429 WeakPolarHBondContact O-CB 3.29Å; F1425-H1429 PolarHBondContact O-N 3.41Å; H1429-N1432 PolarHBondContact O-N 2.87Å; H1429-A1433 PolarHBondContact O-N 3.3Å
1430L64.4Low61.8Low7 Ų749.6 Ų49.64%0.03725%0.254CS..Iπ-helixtrans-65.7-43.5-177.7-94.7151.8000112.6F1425 Y1426 A1433 K1434 M1500 C1503F1425-L1430 HydrophobicContact CD1-CD1 4.3Å; F1425-L1430 HydrophobicContact CE1-CD1 4.26Å; F1425-L1430 HydrophobicContact CE1-CG 4.43Å; Y1426-L1430 HydrophobicContact CD1-CB 4.3Å; Y1426-L1430 HydrophobicContact CD2-CB 4.37Å; Y1426-L1430 HydrophobicContact CD2-CD1 3.66Å; Y1426-L1430 HydrophobicContact CE1-CB 4.49Å; Y1426-L1430 HydrophobicContact CE2-CD1 4.06Å; Y1426-L1430 HydrophobicContact CG-CB 4.22Å; Y1426-L1430 HydrophobicContact CG-CD1 4.16Å; Y1426-L1430 WeakPolarHBondContact O-CB 3.44Å; Y1426-L1430 PolarHBondContact O-N 3.3Å; L1430-A1433 PolarHBondContact O-N 2.82Å; L1430-K1434 WeakPolarHBondContact O-CG 3.49Å; L1430-K1434 PolarHBondContact O-N 2.98Å; L1430-K1434 VanDerWaalsContact O-N 3.12Å; L1430-M1500 HydrophobicContact CD2-CE 3.42Å; L1430-M1500 VanDerWaalsContact CD2-CE 3.42Å; L1430-M1500 HydrophobicContact CD2-SD 3.54Å; L1430-M1500 VanDerWaalsContact CD2-SD 3.54Å; L1430-M1500 HydrophobicContact CG-CE 4.18Å; L1430-M1500 HydrophobicContact CG-SD 3.68Å; L1430-C1503 HydrophobicContact CD1-CB 3.48Å; L1430-C1503 VanDerWaalsContact CD1-CB 3.48Å
1431N60.3Low59Low24 Ų2453.9 Ų53.913%0.12828%0.281CS..Hα-helixtrans-67.6-37.9179.4-162.924.9000112.5Y1426 K1434 R1435 Q1539Y1426-N1431 PolarHBondContact O-N 3.07Å; N1431-K1434 PolarHBondContact O-N 3.05Å; N1431-R1435 PolarHBondContact O-N 3.11Å; N1431-Q1539 WeakPolarHBondContact ND2-CG 3.43Å; N1431-Q1539 PolarHBondContact ND2-OE1 3.18Å; N1431-Q1539 PolarHBondContact OD1-OE1 3.02Å
1432N47Very low56.1Low81 Ų8157.9 Ų57.943%0.43330%0.303SS..Hα-helixtrans-66.8-38.9176.4-77.2-34.7000112T1428 H1429 K1434 R1435 T1436T1428-N1432 PolarHBondContact O-ND2 2.64Å; H1429-N1432 PolarHBondContact O-N 2.87Å; N1432-K1434 VanDerWaalsContact C-N 3.34Å; N1432-K1434 PolarHBondContact O-N 2.69Å; N1432-R1435 PolarHBondContact O-N 2.74Å; N1432-T1436 PolarHBondContact O-N 3.17Å; N1432-T1436 PolarHBondContact O-OG1 2.73Å
1433A42.6Very low53.4Low32 Ų3261.1 Ų61.126%0.26433%0.327SS..Hα-helixtrans-62.6-37.3172.500000113H1429 L1430 T1436 N1437 M1500H1429-A1433 PolarHBondContact O-N 3.3Å; L1430-A1433 PolarHBondContact O-N 2.82Å; A1433-T1436 WeakPolarHBondContact CA-OG1 3.48Å; A1433-T1436 PolarHBondContact O-OG1 3.31Å; A1433-N1437 PolarHBondContact O-N 3.42Å; A1433-N1437 PolarHBondContact O-ND2 3.11Å; A1433-M1500 HydrophobicContact CB-CE 4.49Å
1434K45.6Very low50.6Low108 Ų10865.6 Ų65.647%0.4735%0.346SS..Hα-helixtrans-66.2-38.9173.9-70.7174.8-179.2-179.80111.9Y1426 L1430 N1431 N1432 T1438Y1426-K1434 PolarHBondContact OH-NZ 2.97Å; L1430-K1434 WeakPolarHBondContact O-CG 3.49Å; L1430-K1434 PolarHBondContact O-N 2.98Å; L1430-K1434 VanDerWaalsContact O-N 3.12Å; N1431-K1434 PolarHBondContact O-N 3.05Å; N1432-K1434 VanDerWaalsContact C-N 3.34Å; N1432-K1434 PolarHBondContact O-N 2.69Å; K1434-T1438 PolarHBondContact O-N 2.84Å; K1434-T1438 PolarHBondContact O-OG1 2.99Å
1435R35.4Very low47.7Very low145 Ų14575.4 Ų75.455%0.54738%0.383SS..Hα-helixtrans-68.6-42.6175.3-79.2-179.5166.7172.2-4.7113.7N1431 N1432 N1437 T1438 I1439N1431-R1435 PolarHBondContact O-N 3.11Å; N1432-R1435 PolarHBondContact O-N 2.74Å; R1435-N1437 VanDerWaalsContact C-N 3.28Å; R1435-N1437 PolarHBondContact O-N 3.01Å; R1435-T1438 WeakPolarHBondContact CA-OG1 3.47Å; R1435-T1438 PolarHBondContact O-N 2.77Å; R1435-T1438 PolarHBondContact O-OG1 3.04Å; R1435-T1438 VanDerWaalsContact O-OG1 3.06Å; R1435-I1439 PolarHBondContact O-N 3.35Å
1436T34.9Very low44.8Very low88 Ų8885.8 Ų85.854%0.5442%0.422SS..Hα-helixtrans-62.8-37.6176.849.20000111.9N1432 A1433 T1438 I1439 L1440N1432-T1436 PolarHBondContact O-N 3.17Å; N1432-T1436 PolarHBondContact O-OG1 2.73Å; A1433-T1436 WeakPolarHBondContact CA-OG1 3.48Å; A1433-T1436 PolarHBondContact O-OG1 3.31Å; T1436-T1438 VanDerWaalsContact C-N 3.33Å; T1436-T1438 PolarHBondContact O-N 3.13Å; T1436-I1439 PolarHBondContact O-N 2.79Å; T1436-L1440 PolarHBondContact O-N 2.9Å; T1436-L1440 VanDerWaalsContact O-N 3.1Å
1437N33.7Very low42Very low72 Ų7290.5 Ų90.539%0.38546%0.455SS..Hα-helixtrans-70.5-24.3178-73.6-17.4000113.8A1433 R1435 T1441A1433-N1437 PolarHBondContact O-N 3.42Å; A1433-N1437 PolarHBondContact O-ND2 3.11Å; R1435-N1437 VanDerWaalsContact C-N 3.28Å; R1435-N1437 PolarHBondContact O-N 3.01Å; N1437-T1441 PolarHBondContact O-OG1 3.15Å
1438T32.3Very low39.2Very low88 Ų8899 Ų9954%0.5449%0.491SS..Hα-helixtrans-81.6-31.1174.222.60000112.9K1434 R1435 T1436 L1440 T1441K1434-T1438 PolarHBondContact O-N 2.84Å; K1434-T1438 PolarHBondContact O-OG1 2.99Å; R1435-T1438 WeakPolarHBondContact CA-OG1 3.47Å; R1435-T1438 PolarHBondContact O-N 2.77Å; R1435-T1438 PolarHBondContact O-OG1 3.04Å; R1435-T1438 VanDerWaalsContact O-OG1 3.06Å; T1436-T1438 VanDerWaalsContact C-N 3.33Å; T1436-T1438 PolarHBondContact O-N 3.13Å; T1438-L1440 VanDerWaalsContact C-N 3.35Å; T1438-T1441 WeakPolarHBondContact CA-OG1 3.43Å; T1438-T1441 PolarHBondContact O-N 3.37Å; T1438-T1441 PolarHBondContact O-OG1 3.35Å
1439I32.2Very low36.5Very low128 Ų128105.6 Ų105.666%0.65653%0.525SS*.Hα-helixtrans-72.7-30.4173.2-63.8168.6000111.2R1435 T1436 T1441 S1443R1435-I1439 PolarHBondContact O-N 3.35Å; T1436-I1439 PolarHBondContact O-N 2.79Å; I1439-T1441 VanDerWaalsContact C-N 3.31Å; I1439-T1441 PolarHBondContact O-N 3.43Å; I1439-S1443 PolarHBondContact O-OG 3.08Å
1440L30.9Very low34.3Very low80 Ų80106.7 Ų106.742%0.41955%0.546SS..Hα-helixtrans-76.6-12.5176.4-149.970.3000114T1436 T1438 S1443 L1454T1436-L1440 PolarHBondContact O-N 2.9Å; T1436-L1440 VanDerWaalsContact O-N 3.1Å; T1438-L1440 VanDerWaalsContact C-N 3.35Å; L1440-S1443 WeakPolarHBondContact CA-OG 3.43Å; L1440-S1443 PolarHBondContact O-OG 3.26Å; L1440-L1454 HydrophobicContact CD2-CD1 3.71Å
1441T31.5Very low32.3Very low90 Ų90115.6 Ų115.655%0.55259%0.59SS**Hα-helixtrans-84.5-33.3176.538.80000114.4N1437 T1438 I1439N1437-T1441 PolarHBondContact O-OG1 3.15Å; T1438-T1441 WeakPolarHBondContact CA-OG1 3.43Å; T1438-T1441 PolarHBondContact O-N 3.37Å; T1438-T1441 PolarHBondContact O-OG1 3.35Å; I1439-T1441 VanDerWaalsContact C-N 3.31Å; I1439-T1441 PolarHBondContact O-N 3.43Å
1442D28.4Very low30.6Very low124 Ų124119.4 Ų119.466%0.66361%0.61SS**Hα-helixtrans-81.4-29.9177.1-102.6-45.3000113.1K1444 R1445D1442-K1444 PolarHBondContact O-N 3.38Å; D1442-R1445 PolarHBondContact O-N 2.82Å
1443S28.8Very low29.9Very low75 Ų75119.8 Ų119.852%0.52462%0.617SS.*G310 helixtrans-67.1-21173.642.20000113.3I1439 L1440 R1445I1439-S1443 PolarHBondContact O-OG 3.08Å; L1440-S1443 WeakPolarHBondContact CA-OG 3.43Å; L1440-S1443 PolarHBondContact O-OG 3.26Å; S1443-R1445 PolarHBondContact O-N 2.84Å
1444K27.9Very low28.9Very low93 Ų93124.6 Ų124.640%0.40464%0.637SS.*G310 helixtrans-78.7-7.9179.2-92.5-174170.6-170.60116.3D1442 R1446 D1452D1442-K1444 PolarHBondContact O-N 3.38Å; K1444-R1446 PolarHBondContact O-N 3.18Å; K1444-D1452 WeakPolarHBondContact CE-OD1 3.44Å; K1444-D1452 IonicContact NZ-OD1 3.28Å; K1444-D1452 PolarHBondContact NZ-OD1 3.45Å; K1444-D1452 IonicContact NZ-OD2 3.71Å; K1444-D1452 PolarHBondContact NZ-OD2 3.17Å
1445R27.9Very low27.9Very low212 Ų212126.1 Ų126.180%0.865%0.65SS**G310 helixtrans-79.33.1178.3-78.9-177.4168.3176.6-1.5114.9D1442 S1443D1442-R1445 PolarHBondContact O-N 2.82Å; S1443-R1445 PolarHBondContact O-N 2.84Å
1446R22.6Very low27.4Very low233 Ų233126.1 Ų126.188%0.87967%0.666SS**G310 helixtrans-130.828.2-174.3-142.9-179.2-167.3169.94.8116.9K1444K1444-R1446 PolarHBondContact O-N 3.18Å
1447C23.2Very low26.8Very low111 Ų111125.9 Ų125.975%0.7567%0.667SS**  trans-140.2118.8154.7-88.30000109.8
1448K24.4Very low26.3Very low196 Ų196128 Ų12885%0.85269%0.688SS**  trans-88146.5159-81.5-173172.4-175.30107.5
1449N23.8Very low25.8Very low165 Ų165129 Ų12988%0.88270%0.698SS**SBendtrans7753.8171.2-46.1-8.4000116.1
1450A22.6Very low25.4Very low89 Ų89128.4 Ų128.474%0.73670%0.696SS**SBendtrans-136.3149.7150.300000108.6
1451M23.3Very low25Very low194 Ų194131.7 Ų131.796%0.95671%0.707SS**  trans-72.6145.2-177.1-79.7-65.7-168.900112.2
1452D24.2Very low24.7Very low104 Ų104132.7 Ų132.756%0.55672%0.715SS**  trans-132.1165.6-176.4-140.115.3000107.5K1444K1444-D1452 WeakPolarHBondContact CE-OD1 3.44Å; K1444-D1452 IonicContact NZ-OD1 3.28Å; K1444-D1452 PolarHBondContact NZ-OD1 3.45Å; K1444-D1452 IonicContact NZ-OD2 3.71Å; K1444-D1452 PolarHBondContact NZ-OD2 3.17Å
1453P32.6Very low24.4Very low88 Ų88135.5 Ų135.557%0.57173%0.726SS**  cis-137.7175.1-2.642.8-26.8000116.2N1455P1453-N1455 PolarHBondContact O-N 2.97Å
1454L21.6Very low24.3Very low134 Ų134137.8 Ų137.870%0.70273%0.733SS**  trans-45.5126.1144.3-69.5136.7000111.2L1440L1440-L1454 HydrophobicContact CD2-CD1 3.71Å
1455N23.6Very low24Very low139 Ų139137.8 Ų137.874%0.74375%0.75SS**  trans-141.256.6173.7-165.916.7000114.1P1453P1453-N1455 PolarHBondContact O-N 2.97Å
1456V24.3Very low23.8Very low146 Ų146134.8 Ų134.889%0.88575%0.75SS**SBendtrans-142.657.3170.6-163.30000111.5
1457C23.3Very low23.9Very low82 Ų82128.7 Ų128.755%0.55474%0.741SS**SBendtrans-159.333.6166.7-154.70000114.8
1458S22.8Very low23.9Very low117 Ų117131.4 Ų131.482%0.81875%0.746SS**SBendtrans-149.345.8-179.1-66.90000113.9
1459S23Very low23.9Very low109 Ų109128.9 Ų128.976%0.76274%0.742SS**  trans-15780.8174.259.70000112.5
1460L23Very low23.9Very low115 Ų115126 Ų12660%0.60273%0.733SS**SBendtrans-167.241.4156.1-110.4168.9000113.7
1461F22.3Very low24Very low149 Ų149126.9 Ų126.965%0.65473%0.726SS**  trans-136.6113.7159-88.8-71.5000109.1
1462P25.5Very low24Very low111 Ų111123.1 Ų123.172%0.72171%0.706SS**  trans-129.891.2153.634.1-19.1000110.2N1464P1462-N1464 PolarHBondContact O-N 3.38Å
1463M21.4Very low24.2Very low183 Ų183122.7 Ų122.790%0.90170%0.703SS**  trans-78.4106.6144-88.4-168.4150.900106.2
1464N26.5Very low23.8Very low124 Ų124123.6 Ų123.666%0.66370%0.704SS**  trans-99.6123.4179.1-171.87.1000109.8P1462P1462-N1464 PolarHBondContact O-N 3.38Å
1465A22.1Very low24.3Very low92 Ų92122 Ų12276%0.7670%0.701SS**  trans-114.296.7164.700000108.1
1466N23.2Very low24.3Very low150 Ų150122.8 Ų122.880%0.80271%0.705SS**  trans44.898.1167-63.4-10.3000117.7
1467P24.9Very low24.2Very low105 Ų105120.2 Ų120.268%0.68270%0.698SS**  trans-74.9137165.632.1-32.3000111.1
1468I24.1Very low24.2Very low167 Ų167120.8 Ų120.886%0.85671%0.709SS**  trans-93100.8167.8-62.2179.5000109.4
1469N24.3Very low24.2Very low143 Ų143121.2 Ų121.277%0.76571%0.707SS**  trans61.8127.6150-141.110.8000121.8
1470C22.7Very low24.1Very low104 Ų104121.6 Ų121.670%0.70371%0.705SS**  trans-45.4173.2165.6-45.60000115.9
1471N24.4Very low24.2Very low109 Ų109121.5 Ų121.558%0.58371%0.709SS**  cis-149.9-165.23.2-135.63.5000108.3
1472E24.6Very low24.2Very low115 Ų115119.6 Ų119.654%0.53771%0.71SS.*  cis-163.7176.58-137.3158.2-102.800107.3S1253S1253-E1472 WeakPolarHBondContact OG-CA 3.3Å; S1253-E1472 PolarHBondContact OG-N 3.47Å; S1253-E1472 PolarHBondContact OG-O 3.35Å; S1253-E1472 VanDerWaalsContact OG-O 3.09Å
1473N27.3Very low24.1Very low95 Ų95121.5 Ų121.551%0.50871%0.714SS.*  cis-153.1-144.917.3-159-74.8000111.2S1253S1253-N1473 PolarHBondContact OG-N 2.9Å
1474N25.7Very low24.3Very low107 Ų107120 Ų12057%0.57271%0.71SS**  trans-141.4-152.8-172.3-140.4-12.3000109.4N1252N1252-N1474 PolarHBondContact OD1-ND2 3.48Å
1475P31.5Very low24.2Very low100 Ų100119.7 Ų119.765%0.64971%0.712SS**  cis-138.3168.1-8.643.1-24000119.3
1476L23.5Very low24.4Very low156 Ų156121.8 Ų121.882%0.81772%0.716SS**  trans65.9117140.8-97.170.3000126.6
1477A22.9Very low24.3Very low91 Ų91121.1 Ų121.175%0.75272%0.717SS**  72.6153.4112.700000126.9
1478A22.2Very low24.3Very low95 Ų95123.2 Ų123.279%0.78573%0.728SS**  trans75.4148.3167.300000117.8
1479T23.1Very low24.2Very low126 Ų126120 Ų12077%0.77372%0.721SS**  cis-150.1176.76.4-220000112
1480T21.8Very low24.1Very low117 Ų117118.9 Ų118.972%0.71872%0.724SS**  trans-21154.6166.151.10000118.9
1481T23.4Very low24.1Very low113 Ų113118.6 Ų118.669%0.69372%0.723SS**  -17214950-28.80000114.2
1482T23.7Very low24Very low109 Ų109121.6 Ų121.667%0.66974%0.739SS**  trans54.8125.2149.542.20000125.1
1483N23.8Very low24Very low150 Ų150122.6 Ų122.680%0.80275%0.747SS**  trans92.4149130.4-66.1-5.6000122.3
1484N24.3Very low23.9Very low153 Ų153121.4 Ų121.482%0.81875%0.746SS**  trans-108155.5-172.6-34.7-59.5000112
1485T23.8Very low24Very low116 Ų116122 Ų12271%0.71275%0.745SS**  -146.8155.6126.612.70000110
1486T26.6Very low24.3Very low137 Ų137120.1 Ų120.184%0.8473%0.734SS**  trans-116.4137.7177.549.90000110
1487T22.8Very low24.8Very low135 Ų135115.2 Ų115.283%0.82871%0.713SS**  trans-124.4134.5164.249.60000110S1489T1487-S1489 PolarHBondContact O-N 3.15Å
1488T23.5Very low25.4Very low149 Ų149112 Ų11291%0.91468%0.684SS**  trans-70.6119.5-173470000113.1
1489S21.8Very low26.7Very low99 Ų99108.9 Ų108.969%0.69266%0.657SS**  trans-150.6105.7161.657.60000112.5T1487 S1491T1487-S1489 PolarHBondContact O-N 3.15Å; S1489-S1491 PolarHBondContact O-N 3.2Å
1490S22.1Very low28.2Very low120 Ų120105.4 Ų105.484%0.83963%0.632SS**  trans16.187.3148.956.30000118.6
1491S22.6Very low29.5Very low98 Ų98103.6 Ų103.669%0.68562%0.616SS**  trans-107.694.4170.950.50000112.3S1489 L1493S1489-S1491 PolarHBondContact O-N 3.2Å; S1491-L1493 VanDerWaalsContact C-N 3.3Å; S1491-L1493 PolarHBondContact O-N 3.09Å
1492L23.5Very low30.9Very low173 Ų173100.3 Ų100.391%0.90659%0.593SS**  trans-69.876176.2-72.9161.3000111.8S1494L1492-S1494 VanDerWaalsContact C-N 3.32Å; L1492-S1494 PolarHBondContact O-N 3Å
1493L24.4Very low32.7Very low136 Ų13695.2 Ų95.271%0.71256%0.562SS**  trans-78.378.2-179-84158.8000112.7K1233 S1491K1233-L1493 PolarHBondContact NZ-O 3.32Å; S1491-L1493 VanDerWaalsContact C-N 3.3Å; S1491-L1493 PolarHBondContact O-N 3.09Å
1494S25Very low34.5Very low69 Ų6990.5 Ų90.548%0.48354%0.537SS..  trans-42.3161.5-174.954.90000117.8L1492 S1496L1492-S1494 VanDerWaalsContact C-N 3.32Å; L1492-S1494 PolarHBondContact O-N 3Å; S1494-S1496 PolarHBondContact O-N 3.18Å; S1494-S1496 PolarHBondContact OG-OG 3.44Å
1495H28.1Very low36.3Very low120 Ų12084.8 Ų84.856%0.55651%0.506SS*.THydrogen-bonded Turntrans-66.9-5.5175.2-78.4-110.1000114.9I1229 S1497I1229-H1495 WeakPolarHBondContact CD1-CE1 3.11Å; I1229-H1495 WeakPolarHBondContact CD1-NE2 3.34Å; H1495-S1497 PolarHBondContact O-N 3.07Å
1496S37.9Very low38.3Very low61 Ų6180 Ų8043%0.42748%0.476SS..Hα-helixtrans-71.8-24.3-165.245.40000115.6S1494S1494-S1496 PolarHBondContact O-N 3.18Å; S1494-S1496 PolarHBondContact OG-OG 3.44Å
1497S32.6Very low40.3Very low53 Ų5374.3 Ų74.337%0.37144%0.44SS..Hα-helixtrans-72.3-49.7-176.865.90000113H1495 S1499 M1500 E1501H1495-S1497 PolarHBondContact O-N 3.07Å; S1497-S1499 VanDerWaalsContact C-N 3.29Å; S1497-S1499 PolarHBondContact O-N 2.92Å; S1497-M1500 WeakPolarHBondContact O-CB 3.36Å; S1497-M1500 PolarHBondContact O-N 3.34Å; S1497-E1501 PolarHBondContact O-N 3.35Å
1498V35.9Very low42.3Very low23 Ų2369.4 Ų69.414%0.13941%0.409CS..Hα-helixtrans-53.1-46.6-176170.10000111.6L1232 K1233 L1236 M1500 E1501 I1502L1232-V1498 HydrophobicContact CD1-CG1 4.43Å; L1232-V1498 HydrophobicContact CD2-CG1 3.63Å; L1232-V1498 HydrophobicContact CD2-CG2 4.43Å; K1233-V1498 HydrophobicContact CG-CG2 4.1Å; L1236-V1498 HydrophobicContact CD1-CB 4.31Å; L1236-V1498 HydrophobicContact CD1-CG1 3.95Å; L1236-V1498 HydrophobicContact CD1-CG2 4.13Å; V1498-M1500 VanDerWaalsContact C-N 3.32Å; V1498-M1500 PolarHBondContact O-N 3.01Å; V1498-E1501 PolarHBondContact O-N 2.76Å; V1498-I1502 HydrophobicContact CG1-CD1 4.06Å; V1498-I1502 WeakPolarHBondContact O-CG1 3.3Å; V1498-I1502 PolarHBondContact O-N 3.24Å; V1498-I1502 VanDerWaalsContact O-N 3.1Å
1499S50.2Low43.9Very low30 Ų3062.4 Ų62.421%0.2137%0.365CS..Hα-helixtrans-79.5-17.1-175.7-1640000113.3F1425 S1497 C1503F1425-S1499 WeakPolarHBondContact CD2-OG 3.37Å; F1425-S1499 VanDerWaalsContact CE1-C 3.5Å; F1425-S1499 VanDerWaalsContact CE1-O 3.27Å; F1425-S1499 WeakPolarHBondContact CE1-O 3.45Å; F1425-S1499 WeakPolarHBondContact CE2-OG 3.39Å; F1425-S1499 WeakPolarHBondContact CG-OG 3.41Å; F1425-S1499 VanDerWaalsContact CZ-CB 3.41Å; S1497-S1499 VanDerWaalsContact C-N 3.29Å; S1497-S1499 PolarHBondContact O-N 2.92Å; S1499-C1503 PolarHBondContact O-N 3.38Å; S1499-C1503 VanDerWaalsContact O-N 3.1Å
1500M53.6Low45.9Very low53 Ų5358.1 Ų58.126%0.26134%0.335SS..Hα-helixtrans-66.5-42.8167.3-155.880.8160.600110.6L1430 A1433 S1497 V1498 C1503 N1504L1430-M1500 HydrophobicContact CD2-CE 3.42Å; L1430-M1500 VanDerWaalsContact CD2-CE 3.42Å; L1430-M1500 HydrophobicContact CD2-SD 3.54Å; L1430-M1500 VanDerWaalsContact CD2-SD 3.54Å; L1430-M1500 HydrophobicContact CG-CE 4.18Å; L1430-M1500 HydrophobicContact CG-SD 3.68Å; A1433-M1500 HydrophobicContact CB-CE 4.49Å; S1497-M1500 WeakPolarHBondContact O-CB 3.36Å; S1497-M1500 PolarHBondContact O-N 3.34Å; V1498-M1500 VanDerWaalsContact C-N 3.32Å; V1498-M1500 PolarHBondContact O-N 3.01Å; M1500-C1503 PolarHBondContact O-N 3.1Å; M1500-N1504 WeakPolarHBondContact O-CB 3.19Å; M1500-N1504 PolarHBondContact O-N 3.28Å; M1500-N1504 PolarHBondContact O-ND2 3.46Å
1501E49.7Very low47.8Very low79 Ų7953.4 Ų53.437%0.36930%0.3SS..Hα-helixtrans-69.7-38.7178.4-69.4163.3-151.400111.7L1236 S1497 V1498 N1504 L1505L1236-E1501 WeakPolarHBondContact CB-OE2 3.32Å; L1236-E1501 WeakPolarHBondContact CD1-OE2 3.37Å; S1497-E1501 PolarHBondContact O-N 3.35Å; V1498-E1501 PolarHBondContact O-N 2.76Å; E1501-N1504 PolarHBondContact O-N 2.83Å; E1501-L1505 WeakPolarHBondContact O-CB 3.45Å; E1501-L1505 PolarHBondContact O-N 3.36Å
1502I52.7Low49.4Very low44 Ų4451.1 Ų51.123%0.22628%0.28CS..Hα-helixtrans-56.4-50170.4-72175.2000111.3L1380 V1498 L1505 I1506L1380-I1502 HydrophobicContact CD1-CB 4.48Å; L1380-I1502 HydrophobicContact CD1-CD1 4.02Å; L1380-I1502 HydrophobicContact CD1-CG1 3.76Å; L1380-I1502 HydrophobicContact CD1-CG2 4.19Å; L1380-I1502 HydrophobicContact CD2-CB 4.43Å; L1380-I1502 HydrophobicContact CD2-CG1 4.42Å; L1380-I1502 HydrophobicContact CD2-CG2 4.08Å; V1498-I1502 HydrophobicContact CG1-CD1 4.06Å; V1498-I1502 WeakPolarHBondContact O-CG1 3.3Å; V1498-I1502 PolarHBondContact O-N 3.24Å; V1498-I1502 VanDerWaalsContact O-N 3.1Å; I1502-L1505 PolarHBondContact O-N 2.84Å; I1502-I1506 HydrophobicContact CG2-CD1 4.04Å; I1502-I1506 WeakPolarHBondContact O-CG1 3.38Å; I1502-I1506 PolarHBondContact O-N 3.43Å
1503C61.5Low50.8Low1 Ų143.5 Ų43.51%0.00724%0.24CC..Hα-helixtrans-69.8-38178.1-80.90000112.6F1422 F1425 L1430 S1499 M1500 L1505 I1506 E1507F1422-C1503 HydrophobicContact CD2-CB 4.08Å; F1422-C1503 WeakPolarHBondContact CD2-SG 3.48Å; F1422-C1503 HydrophobicContact CE2-CB 3.82Å; F1422-C1503 WeakPolarHBondContact CE2-O 3.24Å; F1425-C1503 HydrophobicContact CD1-CB 4.23Å; F1425-C1503 WeakPolarHBondContact CD1-SG 3.46Å; L1430-C1503 HydrophobicContact CD1-CB 3.48Å; L1430-C1503 VanDerWaalsContact CD1-CB 3.48Å; S1499-C1503 PolarHBondContact O-N 3.38Å; S1499-C1503 VanDerWaalsContact O-N 3.1Å; M1500-C1503 PolarHBondContact O-N 3.1Å; C1503-L1505 VanDerWaalsContact C-N 3.26Å; C1503-L1505 PolarHBondContact O-N 3.45Å; C1503-I1506 PolarHBondContact O-N 3.25Å; C1503-E1507 WeakPolarHBondContact O-CB 3.46Å; C1503-E1507 PolarHBondContact O-N 3Å
1504N61.7Low52.2Low51 Ų5138.3 Ų38.327%0.27321%0.213SC..Hα-helixtrans-62.4-34.6172.6-70.8-18000111.6M1500 E1501 N1508M1500-N1504 WeakPolarHBondContact O-CB 3.19Å; M1500-N1504 PolarHBondContact O-N 3.28Å; M1500-N1504 PolarHBondContact O-ND2 3.46Å; E1501-N1504 PolarHBondContact O-N 2.83Å; N1504-N1508 WeakPolarHBondContact O-CB 3.42Å; N1504-N1508 VanDerWaalsContact O-CG 3.25Å; N1504-N1508 PolarHBondContact O-N 3.11Å; N1504-N1508 PolarHBondContact O-ND2 3.43Å
1505L62.8Low53Low34 Ų3436.3 Ų36.318%0.17820%0.203CC..Hα-helixtrans-70-46.6176.3-16672.2000111.2L1373 L1377 L1380 E1501 I1502 C1503 L1509L1373-L1505 HydrophobicContact CD1-CD1 3.59Å; L1377-L1505 HydrophobicContact CB-CD2 4.26Å; L1380-L1505 HydrophobicContact CB-CD2 4.27Å; L1380-L1505 HydrophobicContact CD2-CB 4.4Å; L1380-L1505 HydrophobicContact CD2-CD2 3.78Å; E1501-L1505 WeakPolarHBondContact O-CB 3.45Å; E1501-L1505 PolarHBondContact O-N 3.36Å; I1502-L1505 PolarHBondContact O-N 2.84Å; C1503-L1505 VanDerWaalsContact C-N 3.26Å; C1503-L1505 PolarHBondContact O-N 3.45Å; L1505-L1509 WeakPolarHBondContact O-CB 3.39Å; L1505-L1509 PolarHBondContact O-N 2.95Å
1506I65.4Low53.5Low14 Ų1432 Ų327%0.07219%0.191CC..Hα-helixtrans-66.7-41.5178-66.8168.3000111.2L1377 L1380 F1422 I1502 C1503 L1509 L1510L1377-I1506 HydrophobicContact CD1-CG1 4.01Å; L1380-I1506 HydrophobicContact CD2-CD1 4.12Å; L1380-I1506 HydrophobicContact CD2-CG1 3.98Å; F1422-I1506 HydrophobicContact CB-CD1 4.32Å; F1422-I1506 HydrophobicContact CB-CG2 4.4Å; F1422-I1506 HydrophobicContact CD1-CG2 4.29Å; F1422-I1506 HydrophobicContact CD2-CB 3.63Å; F1422-I1506 HydrophobicContact CD2-CD1 4.04Å; F1422-I1506 HydrophobicContact CD2-CG1 4.44Å; F1422-I1506 HydrophobicContact CD2-CG2 3.42Å; F1422-I1506 VanDerWaalsContact CD2-CG2 3.42Å; F1422-I1506 HydrophobicContact CE2-CB 3.81Å; F1422-I1506 HydrophobicContact CE2-CG2 3.68Å; F1422-I1506 HydrophobicContact CG-CB 4.43Å; F1422-I1506 HydrophobicContact CG-CG2 3.77Å; F1422-I1506 HydrophobicContact CZ-CG2 4.23Å; I1502-I1506 HydrophobicContact CG2-CD1 4.04Å; I1502-I1506 WeakPolarHBondContact O-CG1 3.38Å; I1502-I1506 PolarHBondContact O-N 3.43Å; C1503-I1506 PolarHBondContact O-N 3.25Å; I1506-L1509 PolarHBondContact O-N 2.82Å; I1506-L1510 HydrophobicContact CG2-CD1 3.67Å; I1506-L1510 HydrophobicContact CG2-CG 4.3Å; I1506-L1510 WeakPolarHBondContact O-CB 3.47Å; I1506-L1510 VanDerWaalsContact O-CG 3.27Å; I1506-L1510 WeakPolarHBondContact O-CG 3.19Å; I1506-L1510 PolarHBondContact O-N 2.98Å
1507E68.6Low53.5Low18 Ų1834.2 Ų34.28%0.08420%0.202CC..Hα-helixtrans-65.6-48.9176.3-173.1-179.2159.500111.1F1422 Y1426 C1503 L1509 L1510 N1511F1422-E1507 HydrophobicContact CE2-CB 4.38Å; F1422-E1507 HydrophobicContact CZ-CB 4.23Å; Y1426-E1507 WeakPolarHBondContact CE2-OE2 3.39Å; C1503-E1507 WeakPolarHBondContact O-CB 3.46Å; C1503-E1507 PolarHBondContact O-N 3Å; E1507-L1509 VanDerWaalsContact C-N 3.25Å; E1507-L1509 PolarHBondContact O-N 2.81Å; E1507-L1510 PolarHBondContact O-N 3.3Å; E1507-N1511 WeakPolarHBondContact O-CB 3.41Å; E1507-N1511 PolarHBondContact O-N 3.36Å; E1507-N1511 PolarHBondContact O-ND2 2.89Å; E1507-N1511 VanDerWaalsContact O-ND2 3.11Å
1508N64Low53.6Low33 Ų3338.2 Ų38.218%0.17622%0.219CC..Hα-helixtrans-61.4-34.9174.9-78.7-49.1000112.1N1504 N1512N1504-N1508 WeakPolarHBondContact O-CB 3.42Å; N1504-N1508 VanDerWaalsContact O-CG 3.25Å; N1504-N1508 PolarHBondContact O-N 3.11Å; N1504-N1508 PolarHBondContact O-ND2 3.43Å; N1508-N1512 WeakPolarHBondContact O-CB 2.95Å; N1508-N1512 PolarHBondContact O-N 3.49Å; N1508-N1512 PolarHBondContact O-ND2 3.46Å; N1508-N1512 VanDerWaalsContact O-ND2 3.09Å
1509L58Low53.4Low2 Ų244.9 Ų44.91%0.0125%0.254CS..Hα-helixtrans-73.9-43.9178.6-169.6122.2000112.7L1373 L1377 L1505 I1506 E1507 N1511 N1512 L1513 L1638L1373-L1509 HydrophobicContact CD2-CD1 4.48Å; L1373-L1509 HydrophobicContact CG-CD1 4.32Å; L1377-L1509 HydrophobicContact CB-CD1 3.56Å; L1377-L1509 HydrophobicContact CD1-CB 3.86Å; L1377-L1509 HydrophobicContact CD1-CD1 3.84Å; L1377-L1509 HydrophobicContact CD1-CD2 3.77Å; L1377-L1509 HydrophobicContact CD1-CG 3.99Å; L1377-L1509 HydrophobicContact CD2-CD1 3.64Å; L1377-L1509 HydrophobicContact CD2-CD2 3.49Å; L1377-L1509 VanDerWaalsContact CD2-CD2 3.49Å; L1377-L1509 HydrophobicContact CD2-CG 4.11Å; L1377-L1509 HydrophobicContact CG-CD1 3.83Å; L1377-L1509 HydrophobicContact CG-CD2 4.15Å; L1377-L1509 HydrophobicContact CG-CG 4.41Å; L1505-L1509 WeakPolarHBondContact O-CB 3.39Å; L1505-L1509 PolarHBondContact O-N 2.95Å; I1506-L1509 PolarHBondContact O-N 2.82Å; E1507-L1509 VanDerWaalsContact C-N 3.25Å; E1507-L1509 PolarHBondContact O-N 2.81Å; L1509-N1511 VanDerWaalsContact C-N 3.27Å; L1509-N1511 PolarHBondContact O-N 3.37Å; L1509-N1512 PolarHBondContact O-N 2.77Å; L1509-L1513 HydrophobicContact CD1-CD1 3.29Å; L1509-L1513 HydrophobicContact CD1-CG 4.29Å; L1509-L1513 HydrophobicContact CD2-CD1 4.02Å; L1509-L1513 HydrophobicContact CG-CB 4.32Å; L1509-L1513 HydrophobicContact CG-CD1 3.42Å; L1509-L1513 VanDerWaalsContact CG-CD1 3.42Å; L1509-L1513 HydrophobicContact CG-CG 3.98Å; L1509-L1513 VanDerWaalsContact O-CB 3.3Å; L1509-L1513 WeakPolarHBondContact O-CB 3.4Å; L1509-L1513 PolarHBondContact O-N 2.84Å; L1509-L1638 HydrophobicContact CD2-CD1 4.36Å
1510L63.4Low52.5Low9 Ų949 Ų495%0.04728%0.281CS..Hα-helixtrans-63.5-36.1173.7-67.9167.9000110.7L1419 I1506 E1507 L1514 L1531 L1638L1419-L1510 HydrophobicContact CD1-CD1 4.34Å; I1506-L1510 HydrophobicContact CG2-CD1 3.67Å; I1506-L1510 HydrophobicContact CG2-CG 4.3Å; I1506-L1510 WeakPolarHBondContact O-CB 3.47Å; I1506-L1510 VanDerWaalsContact O-CG 3.27Å; I1506-L1510 WeakPolarHBondContact O-CG 3.19Å; I1506-L1510 PolarHBondContact O-N 2.98Å; E1507-L1510 PolarHBondContact O-N 3.3Å; L1510-L1514 HydrophobicContact CB-CD1 4.39Å; L1510-L1514 HydrophobicContact CD2-CD1 3.95Å; L1510-L1514 VanDerWaalsContact O-CB 3.3Å; L1510-L1514 WeakPolarHBondContact O-CB 3.05Å; L1510-L1514 VanDerWaalsContact O-CG 3.3Å; L1510-L1514 WeakPolarHBondContact O-CG 3.23Å; L1510-L1514 PolarHBondContact O-N 3.31Å; L1510-L1531 HydrophobicContact CB-CD2 3.95Å; L1510-L1531 HydrophobicContact CD1-CD1 4.14Å; L1510-L1531 HydrophobicContact CD1-CD2 3.58Å; L1510-L1531 HydrophobicContact CG-CD2 4.4Å; L1510-L1638 HydrophobicContact CD2-CD1 4.49Å
1511N62.6Low51.4Low20 Ų2050.6 Ų50.611%0.10731%0.312CS..Hα-helixtrans-64-45.3171.7-74.1-30.5000113E1507 L1509 K1528E1507-N1511 WeakPolarHBondContact O-CB 3.41Å; E1507-N1511 PolarHBondContact O-N 3.36Å; E1507-N1511 PolarHBondContact O-ND2 2.89Å; E1507-N1511 VanDerWaalsContact O-ND2 3.11Å; L1509-N1511 VanDerWaalsContact C-N 3.27Å; L1509-N1511 PolarHBondContact O-N 3.37Å; N1511-K1528 WeakPolarHBondContact OD1-CD 3.48Å; N1511-K1528 WeakPolarHBondContact OD1-CE 3.25Å; N1511-K1528 WeakPolarHBondContact OD1-CG 3.48Å; N1511-K1528 PolarHBondContact OD1-NZ 3.01Å
1512N55.4Low50.6Low51 Ų5149.6 Ų49.627%0.27332%0.323SS..Hα-helixtrans-85.3-38.1-172.2-70-24.4000113.2L1370 L1373 N1508 L1509 G1515 G1516L1370-N1512 HydrophobicContact CD2-CB 4.05Å; L1373-N1512 HydrophobicContact CD2-CB 4.37Å; L1373-N1512 WeakPolarHBondContact CD2-ND2 3.48Å; N1508-N1512 WeakPolarHBondContact O-CB 2.95Å; N1508-N1512 PolarHBondContact O-N 3.49Å; N1508-N1512 PolarHBondContact O-ND2 3.46Å; N1508-N1512 VanDerWaalsContact O-ND2 3.09Å; L1509-N1512 PolarHBondContact O-N 2.77Å; N1512-G1515 CarbonylContact O-C 3.55Å; N1512-G1515 PolarHBondContact O-N 3.24Å; N1512-G1516 PolarHBondContact O-N 3.19Å
1513L53.3Low50.2Low12 Ų1249.3 Ų49.36%0.06333%0.331CS..Hα-helixtrans-99.2-7.9-168.1-60.4-175000113.8L1370 L1374 L1509 G1515 F1641L1370-L1513 HydrophobicContact CD2-CD2 4.31Å; L1374-L1513 HydrophobicContact CD1-CD1 4.43Å; L1509-L1513 HydrophobicContact CD1-CD1 3.29Å; L1509-L1513 HydrophobicContact CD1-CG 4.29Å; L1509-L1513 HydrophobicContact CD2-CD1 4.02Å; L1509-L1513 HydrophobicContact CG-CB 4.32Å; L1509-L1513 HydrophobicContact CG-CD1 3.42Å; L1509-L1513 VanDerWaalsContact CG-CD1 3.42Å; L1509-L1513 HydrophobicContact CG-CG 3.98Å; L1509-L1513 VanDerWaalsContact O-CB 3.3Å; L1509-L1513 WeakPolarHBondContact O-CB 3.4Å; L1509-L1513 PolarHBondContact O-N 2.84Å; L1513-G1515 VanDerWaalsContact C-N 3.35Å; L1513-F1641 HydrophobicContact CB-CD1 4.22Å; L1513-F1641 HydrophobicContact CB-CD2 3.94Å; L1513-F1641 HydrophobicContact CB-CE1 3.91Å; L1513-F1641 HydrophobicContact CB-CE2 3.6Å; L1513-F1641 HydrophobicContact CB-CG 4.26Å; L1513-F1641 HydrophobicContact CB-CZ 3.61Å; L1513-F1641 HydrophobicContact CD1-CD1 4.38Å; L1513-F1641 HydrophobicContact CD1-CE1 3.4Å; L1513-F1641 HydrophobicContact CD1-CE2 4.14Å; L1513-F1641 HydrophobicContact CD1-CZ 3.27Å; L1513-F1641 HydrophobicContact CD2-CE2 4.15Å; L1513-F1641 HydrophobicContact CD2-CZ 3.93Å; L1513-F1641 HydrophobicContact CG-CE1 4.18Å; L1513-F1641 HydrophobicContact CG-CE2 4.15Å; L1513-F1641 HydrophobicContact CG-CZ 3.76Å; L1513-F1641 WeakPolarHBondContact O-CD2 3.33Å
1514L54.1Low49.6Very low28 Ų2854.2 Ų54.215%0.14735%0.354CS..SBendtrans-93-2.6156.1-47.8178.9000111.1L1510 L1527L1510-L1514 HydrophobicContact CB-CD1 4.39Å; L1510-L1514 HydrophobicContact CD2-CD1 3.95Å; L1510-L1514 VanDerWaalsContact O-CB 3.3Å; L1510-L1514 WeakPolarHBondContact O-CB 3.05Å; L1510-L1514 VanDerWaalsContact O-CG 3.3Å; L1510-L1514 WeakPolarHBondContact O-CG 3.23Å; L1510-L1514 PolarHBondContact O-N 3.31Å; L1514-L1527 HydrophobicContact CB-CB 3.98Å; L1514-L1527 HydrophobicContact CB-CD1 3.98Å; L1514-L1527 HydrophobicContact CD1-CB 3.72Å; L1514-L1527 HydrophobicContact CD1-CD1 4.31Å; L1514-L1527 HydrophobicContact CD1-CD2 4.39Å; L1514-L1527 HydrophobicContact CD1-CG 4.36Å; L1514-L1527 HydrophobicContact CD2-CD1 4.3Å; L1514-L1527 HydrophobicContact CG-CB 4.41Å; L1514-L1527 HydrophobicContact CG-CD1 4.4Å
1515G40.7Very low49.2Very low26 Ų2654.4 Ų54.427%0.26836%0.359SS..SBendtrans-109.4-4.8-174.800000116.7N1512 L1513 Q1524N1512-G1515 CarbonylContact O-C 3.55Å; N1512-G1515 PolarHBondContact O-N 3.24Å; L1513-G1515 VanDerWaalsContact C-N 3.35Å; G1515-Q1524 VanDerWaalsContact O-CD 3.22Å; G1515-Q1524 PolarHBondContact O-NE2 3.35Å; G1515-Q1524 PolarHBondContact O-OE1 2.84Å
1516G39.1Very low49.3Very low30 Ų3056.9 Ų56.931%0.30937%0.372SS..  trans-179.7105.717900000118.2N1512N1512-G1516 PolarHBondContact O-N 3.19Å
1517V38.7Very low49.5Very low107 Ų10757.2 Ų57.265%0.64837%0.374SS*.SBend-135.8150.4123.4-1690000105.5
1518D33.4Very low49.6Very low138 Ų13859.9 Ų59.974%0.73839%0.385SS*.SBendtrans-69.9163.6-157-51.6-85.7000116.6
1519N33.5Very low50.2Low162 Ų16263.4 Ų63.487%0.86640%0.401SS*.SBendtrans76.937.8166.1-58-28.8000119.6
1520C30.8Very low51.4Low116 Ų11666.2 Ų66.278%0.78441%0.413SS*.  trans-137.8120.3148.8-53.10000110.4
1521G30.2Very low52.3Low88 Ų8865.9 Ų65.991%0.90741%0.411SS*.  trans-78.7138.5177.700000113.1
1522G32.7Very low53.3Low58 Ų5867.2 Ų67.260%0.59842%0.418SS*.SBendtrans122.3-70.116900000114.9Q1524G1522-Q1524 VanDerWaalsContact C-N 3.25Å; G1522-Q1524 PolarHBondContact O-N 3.34Å
1523G44Very low54.7Low38 Ų3869 Ų6939%0.39243%0.427SS..THydrogen-bonded Turntrans-70.96.4-158.500000119.2
1524Q48.9Very low56.3Low104 Ų10468.5 Ų68.549%0.48643%0.425SS..Hα-helixtrans-75.1-37.4-174.1-67.5178.9-7.700113.2G1515 G1522G1515-Q1524 VanDerWaalsContact O-CD 3.22Å; G1515-Q1524 PolarHBondContact O-NE2 3.35Å; G1515-Q1524 PolarHBondContact O-OE1 2.84Å; G1522-Q1524 VanDerWaalsContact C-N 3.25Å; G1522-Q1524 PolarHBondContact O-N 3.34Å
1525S52.8Low58Low54 Ų5467.3 Ų67.338%0.37842%0.419SS..Hα-helixtrans-66.4-45.7174.238.40000111.4L1527 K1528 H1529S1525-L1527 PolarHBondContact O-N 2.75Å; S1525-K1528 PolarHBondContact O-N 2.86Å; S1525-K1528 VanDerWaalsContact O-N 3.15Å; S1525-H1529 PolarHBondContact O-CD2 3.11Å; S1525-H1529 PolarHBondContact O-N 3.14Å
1526D66.1Low60.1Low87 Ų8768.8 Ų68.847%0.46542%0.422SS..Hα-helixtrans-70.6-33.3-156.5-53.4-4.7000112.5K1530D1526-K1530 WeakPolarHBondContact O-CB 3.36Å; D1526-K1530 VanDerWaalsContact O-CG 3.32Å; D1526-K1530 WeakPolarHBondContact O-CG 3.44Å; D1526-K1530 PolarHBondContact O-N 3.11Å
1527L69.5Low62.4Low21 Ų2169.9 Ų69.911%0.1142%0.421CS..Hα-helixtrans-73.4-37.1177.1-76.5161.2000112.4L1514 S1525 L1531 F1633 L1634 Q1637L1514-L1527 HydrophobicContact CB-CB 3.98Å; L1514-L1527 HydrophobicContact CB-CD1 3.98Å; L1514-L1527 HydrophobicContact CD1-CB 3.72Å; L1514-L1527 HydrophobicContact CD1-CD1 4.31Å; L1514-L1527 HydrophobicContact CD1-CD2 4.39Å; L1514-L1527 HydrophobicContact CD1-CG 4.36Å; L1514-L1527 HydrophobicContact CD2-CD1 4.3Å; L1514-L1527 HydrophobicContact CG-CB 4.41Å; L1514-L1527 HydrophobicContact CG-CD1 4.4Å; S1525-L1527 PolarHBondContact O-N 2.75Å; L1527-L1531 PolarHBondContact O-N 3.41Å; L1527-L1531 VanDerWaalsContact O-N 3.11Å; L1527-F1633 HydrophobicContact CD2-CD1 4.31Å; L1527-F1633 HydrophobicContact CD2-CE1 3.48Å; L1527-F1633 VanDerWaalsContact CD2-CE1 3.48Å; L1527-F1633 HydrophobicContact CD2-CZ 4.03Å; L1527-L1634 HydrophobicContact CD2-CD2 4.12Å; L1527-Q1637 HydrophobicContact CD2-CB 4.26Å; L1527-Q1637 HydrophobicContact CD2-CG 3.91Å
1528K70.9Confident64.8Low74 Ų7464.8 Ų64.832%0.32239%0.39SS..Hα-helixtrans-67.7-41171.6177.6173.3-177.81650111.1N1511 S1525 N1532N1511-K1528 WeakPolarHBondContact OD1-CD 3.48Å; N1511-K1528 WeakPolarHBondContact OD1-CE 3.25Å; N1511-K1528 WeakPolarHBondContact OD1-CG 3.48Å; N1511-K1528 PolarHBondContact OD1-NZ 3.01Å; S1525-K1528 PolarHBondContact O-N 2.86Å; S1525-K1528 VanDerWaalsContact O-N 3.15Å; K1528-N1532 PolarHBondContact O-N 3.1Å; K1528-N1532 VanDerWaalsContact O-N 3.14Å; K1528-N1532 PolarHBondContact O-ND2 3.42Å
1529H76.4Confident67.3Low107 Ų10760.5 Ų60.550%0.49537%0.366SS..Hα-helixtrans-61.8-55.4174.2-72.7-60.8000110.7S1525 L1531 N1532 D1533S1525-H1529 PolarHBondContact O-CD2 3.11Å; S1525-H1529 PolarHBondContact O-N 3.14Å; H1529-L1531 VanDerWaalsContact C-N 3.27Å; H1529-L1531 PolarHBondContact O-N 3.1Å; H1529-L1531 VanDerWaalsContact O-N 3.11Å; H1529-N1532 CarbonylContact O-C 3.31Å; H1529-N1532 WeakPolarHBondContact O-CA 3.47Å; H1529-N1532 PolarHBondContact O-N 2.91Å; H1529-D1533 WeakPolarHBondContact O-CB 3.37Å; H1529-D1533 PolarHBondContact O-N 3.17Å; H1529-D1533 VanDerWaalsContact O-OD2 3.08Å
1530K82.5Confident69.6Low61 Ų6160.3 Ų60.327%0.26536%0.357SS..Hα-helixtrans-48.6-42.9175.5-80.9169.4167.9-75.70114D1526 L1534 E1630 F1633 L1634D1526-K1530 WeakPolarHBondContact O-CB 3.36Å; D1526-K1530 VanDerWaalsContact O-CG 3.32Å; D1526-K1530 WeakPolarHBondContact O-CG 3.44Å; D1526-K1530 PolarHBondContact O-N 3.11Å; K1530-L1534 WeakPolarHBondContact O-CB 3.36Å; K1530-L1534 PolarHBondContact O-N 2.56Å; K1530-E1630 IonicContact NZ-OE1 2.62Å; K1530-E1630 PolarHBondContact NZ-OE1 3.48Å; K1530-E1630 IonicContact NZ-OE2 3.95Å; K1530-E1630 PolarHBondContact NZ-OE2 2.95Å; K1530-F1633 HydrophobicContact CD-CD1 3.83Å; K1530-F1633 HydrophobicContact CD-CE1 3.5Å; K1530-L1634 HydrophobicContact CB-CD2 4.3Å
1531L83.6Confident72.3Confident2 Ų255.6 Ų55.61%0.0132%0.324CS..Hα-helixtrans-63.3-45.5175.3-17670000112.2L1419 F1422 L1510 L1527 H1529 L1535 L1634L1419-L1531 HydrophobicContact CD1-CD1 4.31Å; F1422-L1531 HydrophobicContact CE1-CD1 4.14Å; F1422-L1531 HydrophobicContact CE1-CD2 4.41Å; L1510-L1531 HydrophobicContact CB-CD2 3.95Å; L1510-L1531 HydrophobicContact CD1-CD1 4.14Å; L1510-L1531 HydrophobicContact CD1-CD2 3.58Å; L1510-L1531 HydrophobicContact CG-CD2 4.4Å; L1527-L1531 PolarHBondContact O-N 3.41Å; L1527-L1531 VanDerWaalsContact O-N 3.11Å; H1529-L1531 VanDerWaalsContact C-N 3.27Å; H1529-L1531 PolarHBondContact O-N 3.1Å; H1529-L1531 VanDerWaalsContact O-N 3.11Å; L1531-L1535 HydrophobicContact CG-CD1 4.26Å; L1531-L1535 WeakPolarHBondContact O-CB 3.2Å; L1531-L1535 WeakPolarHBondContact O-CG 3.4Å; L1531-L1535 PolarHBondContact O-N 3.3Å; L1531-L1634 HydrophobicContact CB-CD1 4.38Å; L1531-L1634 HydrophobicContact CD1-CD1 4.03Å
1532N81.9Confident74.9Confident48 Ų4857.2 Ų57.226%0.25731%0.308SS..Hα-helixtrans-72.2-34.5-179.8-77.5-81.9000112.7K1528 H1529 T1536K1528-N1532 PolarHBondContact O-N 3.1Å; K1528-N1532 VanDerWaalsContact O-N 3.14Å; K1528-N1532 PolarHBondContact O-ND2 3.42Å; H1529-N1532 CarbonylContact O-C 3.31Å; H1529-N1532 WeakPolarHBondContact O-CA 3.47Å; H1529-N1532 PolarHBondContact O-N 2.91Å; N1532-T1536 VanDerWaalsContact O-CB 3.28Å; N1532-T1536 WeakPolarHBondContact O-CB 3.36Å; N1532-T1536 PolarHBondContact O-N 3Å; N1532-T1536 PolarHBondContact O-OG1 3.48Å
1533D84.7Confident77.5Confident87 Ų8754.8 Ų54.847%0.46528%0.281SS..Hα-helixtrans-64.4-48.8174-64.3-36.5000109.7H1529 T1536 I1537H1529-D1533 WeakPolarHBondContact O-CB 3.37Å; H1529-D1533 PolarHBondContact O-N 3.17Å; H1529-D1533 VanDerWaalsContact O-OD2 3.08Å; D1533-T1536 CarbonylContact O-C 3.52Å; D1533-T1536 WeakPolarHBondContact O-CA 3.48Å; D1533-T1536 VanDerWaalsContact O-CB 3.3Å; D1533-T1536 WeakPolarHBondContact O-CB 3.5Å; D1533-T1536 PolarHBondContact O-N 2.9Å; D1533-I1537 VanDerWaalsContact O-CG1 3.31Å; D1533-I1537 WeakPolarHBondContact O-CG1 3.05Å; D1533-I1537 PolarHBondContact O-N 3.45Å
1534L88.5Confident79.4Confident3 Ų355.1 Ų55.12%0.01627%0.274CS..Hα-helixtrans-62.8-45.4176.3-170.6125.5000112I1423 K1530 T1536 I1537 F1538 E1627 E1630 I1631I1423-L1534 HydrophobicContact CD1-CD2 3.36Å; I1423-L1534 HydrophobicContact CG1-CD2 4.01Å; K1530-L1534 WeakPolarHBondContact O-CB 3.36Å; K1530-L1534 PolarHBondContact O-N 2.56Å; L1534-T1536 PolarHBondContact O-N 3.44Å; L1534-I1537 PolarHBondContact O-N 3.47Å; L1534-I1537 VanDerWaalsContact O-N 3.11Å; L1534-F1538 HydrophobicContact CD1-CE2 4.21Å; L1534-F1538 HydrophobicContact CD2-CD2 3.74Å; L1534-F1538 HydrophobicContact CD2-CE2 3.69Å; L1534-F1538 HydrophobicContact CG-CD2 3.83Å; L1534-F1538 HydrophobicContact CG-CE2 3.79Å; L1534-F1538 WeakPolarHBondContact O-CD2 3.05Å; L1534-F1538 PolarHBondContact O-N 2.89Å; L1534-E1627 HydrophobicContact CD1-CB 4.35Å; L1534-E1630 HydrophobicContact CD1-CB 3.43Å; L1534-E1630 VanDerWaalsContact CD1-CB 3.43Å; L1534-I1631 HydrophobicContact CD1-CG1 3.99Å; L1534-I1631 HydrophobicContact CD2-CD1 4.38Å; L1534-I1631 HydrophobicContact CD2-CG1 3.88Å
1535L88.8Confident81.3Confident3 Ų353.2 Ų53.22%0.01627%0.267CS..Hα-helixtrans-56.4-37.6171.2-75.2173.2000111.8F1422 I1423 Y1426 L1531 Q1539F1422-L1535 HydrophobicContact CE1-CD1 4.33Å; F1422-L1535 HydrophobicContact CE1-CD2 4.39Å; I1423-L1535 HydrophobicContact CB-CD2 4.33Å; I1423-L1535 HydrophobicContact CG1-CD2 4.12Å; I1423-L1535 HydrophobicContact CG2-CD2 4.23Å; Y1426-L1535 HydrophobicContact CD1-CD1 4.17Å; Y1426-L1535 HydrophobicContact CD1-CD2 3.85Å; Y1426-L1535 HydrophobicContact CD1-CG 4.45Å; Y1426-L1535 HydrophobicContact CD2-CD1 3.94Å; Y1426-L1535 HydrophobicContact CD2-CD2 4.25Å; Y1426-L1535 HydrophobicContact CE1-CD1 4.18Å; Y1426-L1535 HydrophobicContact CE2-CD1 3.93Å; Y1426-L1535 HydrophobicContact CG-CD1 4.07Å; Y1426-L1535 HydrophobicContact CG-CD2 3.67Å; Y1426-L1535 HydrophobicContact CG-CG 4.48Å; L1531-L1535 HydrophobicContact CG-CD1 4.26Å; L1531-L1535 WeakPolarHBondContact O-CB 3.2Å; L1531-L1535 WeakPolarHBondContact O-CG 3.4Å; L1531-L1535 PolarHBondContact O-N 3.3Å; L1535-Q1539 WeakPolarHBondContact O-CB 3.15Å; L1535-Q1539 WeakPolarHBondContact O-CG 3.15Å; L1535-Q1539 PolarHBondContact O-N 3.21Å; L1535-Q1539 VanDerWaalsContact O-N 3.12Å; L1535-Q1539 PolarHBondContact O-NE2 3.45Å
1536T85.4Confident83.1Confident56 Ų5655.3 Ų55.334%0.34427%0.269SS..Hα-helixtrans-70.6-36.8176.5-60.90000111.9N1532 D1533 L1534 Q1539 K1540N1532-T1536 VanDerWaalsContact O-CB 3.28Å; N1532-T1536 WeakPolarHBondContact O-CB 3.36Å; N1532-T1536 PolarHBondContact O-N 3Å; N1532-T1536 PolarHBondContact O-OG1 3.48Å; D1533-T1536 CarbonylContact O-C 3.52Å; D1533-T1536 WeakPolarHBondContact O-CA 3.48Å; D1533-T1536 VanDerWaalsContact O-CB 3.3Å; D1533-T1536 WeakPolarHBondContact O-CB 3.5Å; D1533-T1536 PolarHBondContact O-N 2.9Å; L1534-T1536 PolarHBondContact O-N 3.44Å; T1536-Q1539 PolarHBondContact O-N 3.46Å; T1536-K1540 HydrophobicContact CG2-CD 4.19Å; T1536-K1540 VanDerWaalsContact O-CG 3.28Å; T1536-K1540 WeakPolarHBondContact O-CG 3.4Å; T1536-K1540 PolarHBondContact O-N 2.86Å
1537I87Confident84.4Confident53 Ų5351.1 Ų51.127%0.27225%0.247SC..Hα-helixtrans-69.7-47.5177.1-65.4159.8000110.6D1533 L1534 Q1539 K1540 L1541 E1627D1533-I1537 VanDerWaalsContact O-CG1 3.31Å; D1533-I1537 WeakPolarHBondContact O-CG1 3.05Å; D1533-I1537 PolarHBondContact O-N 3.45Å; L1534-I1537 PolarHBondContact O-N 3.47Å; L1534-I1537 VanDerWaalsContact O-N 3.11Å; I1537-Q1539 PolarHBondContact O-N 2.63Å; I1537-K1540 PolarHBondContact O-N 2.66Å; I1537-L1541 HydrophobicContact CG2-CD1 3.66Å; I1537-L1541 HydrophobicContact CG2-CG 4.14Å; I1537-L1541 WeakPolarHBondContact O-CB 3.37Å; I1537-L1541 WeakPolarHBondContact O-CG 3.36Å; I1537-L1541 PolarHBondContact O-N 3.01Å; I1537-E1627 WeakPolarHBondContact CD1-OE2 3.41Å; I1537-E1627 VanDerWaalsContact CG2-CD 3.45Å; I1537-E1627 HydrophobicContact CG2-CG 3.83Å
1538F88.4Confident85.5Confident0 Ų050.1 Ų50.10%024%0.242CC..Hα-helixtrans-60.1-33.1174.3-84.7-85.6000112.9I1423 V1427 L1534 Q1542 L1543 F1548 L1551 E1627 I1631I1423-F1538 HydrophobicContact CG2-CB 4.04Å; I1423-F1538 HydrophobicContact CG2-CD1 4.24Å; I1423-F1538 HydrophobicContact CG2-CD2 3.91Å; I1423-F1538 HydrophobicContact CG2-CE2 4.47Å; I1423-F1538 HydrophobicContact CG2-CG 3.79Å; V1427-F1538 HydrophobicContact CG2-CB 3.87Å; L1534-F1538 HydrophobicContact CD1-CE2 4.21Å; L1534-F1538 HydrophobicContact CD2-CD2 3.74Å; L1534-F1538 HydrophobicContact CD2-CE2 3.69Å; L1534-F1538 HydrophobicContact CG-CD2 3.83Å; L1534-F1538 HydrophobicContact CG-CE2 3.79Å; L1534-F1538 WeakPolarHBondContact O-CD2 3.05Å; L1534-F1538 PolarHBondContact O-N 2.89Å; F1538-Q1542 PolarHBondContact O-N 2.71Å; F1538-L1543 HydrophobicContact CD1-CD1 3.84Å; F1538-L1543 HydrophobicContact CD1-CD2 3.81Å; F1538-L1543 HydrophobicContact CD1-CG 4.34Å; F1538-L1543 HydrophobicContact CE1-CD1 4.34Å; F1538-L1543 HydrophobicContact CE1-CD2 3.66Å; F1538-F1548 HydrophobicContact CB-CZ 4.39Å; F1538-F1548 AromaticContact CD1-CE1 3.55Å; F1538-F1548 HydrophobicContact CD1-CE1 3.55Å; F1538-F1548 AromaticContact CD1-CZ 3.64Å; F1538-F1548 HydrophobicContact CD1-CZ 3.64Å; F1538-F1548 AromaticContact CE1-CE1 3.87Å; F1538-F1548 HydrophobicContact CE1-CE1 3.87Å; F1538-F1548 HydrophobicContact CE1-CZ 4.38Å; F1538-F1548 HydrophobicContact CG-CE1 4.39Å; F1538-F1548 HydrophobicContact CG-CZ 4.34Å; F1538-L1551 HydrophobicContact CE1-CD1 3.68Å; F1538-L1551 HydrophobicContact CZ-CD1 4.17Å; F1538-E1627 HydrophobicContact CE2-CB 3.59Å; F1538-E1627 HydrophobicContact CE2-CG 4.09Å; F1538-E1627 HydrophobicContact CZ-CB 3.77Å; F1538-E1627 HydrophobicContact CZ-CG 4.43Å; F1538-I1631 HydrophobicContact CE2-CD1 3.68Å; F1538-I1631 HydrophobicContact CZ-CD1 3.59Å
1539Q85.7Confident86.5Confident49 Ų4947.4 Ų47.423%0.22923%0.231CC..Hα-helixtrans-68.7-41.2171.1-73.9170.841.300113V1427 N1431 L1535 T1536 I1537 Q1542V1427-Q1539 HydrophobicContact CB-CG 4.47Å; V1427-Q1539 HydrophobicContact CG1-CG 4.24Å; V1427-Q1539 HydrophobicContact CG2-CG 3.97Å; N1431-Q1539 WeakPolarHBondContact ND2-CG 3.43Å; N1431-Q1539 PolarHBondContact ND2-OE1 3.18Å; N1431-Q1539 PolarHBondContact OD1-OE1 3.02Å; L1535-Q1539 WeakPolarHBondContact O-CB 3.15Å; L1535-Q1539 WeakPolarHBondContact O-CG 3.15Å; L1535-Q1539 PolarHBondContact O-N 3.21Å; L1535-Q1539 VanDerWaalsContact O-N 3.12Å; L1535-Q1539 PolarHBondContact O-NE2 3.45Å; T1536-Q1539 PolarHBondContact O-N 3.46Å; I1537-Q1539 PolarHBondContact O-N 2.63Å; Q1539-Q1542 WeakPolarHBondContact O-CG 3.36Å; Q1539-Q1542 PolarHBondContact O-N 2.62Å
1540K83.8Confident87.3Confident157 Ų15742.5 Ų42.568%0.68321%0.209SC*.Hα-helixtrans-66-41.3177.1-76.3167.1177.1173.30112.3T1536 I1537 Q1542T1536-K1540 HydrophobicContact CG2-CD 4.19Å; T1536-K1540 VanDerWaalsContact O-CG 3.28Å; T1536-K1540 WeakPolarHBondContact O-CG 3.4Å; T1536-K1540 PolarHBondContact O-N 2.86Å; I1537-K1540 PolarHBondContact O-N 2.66Å; K1540-Q1542 PolarHBondContact O-N 3.33Å
1541L86Confident87.9Confident18 Ų1839.6 Ų39.69%0.09420%0.197CC..THydrogen-bonded Turntrans-72.6-13.5178.9-67.8171.5000113.7I1537 L1543 R1620 Q1623 I1624 E1627I1537-L1541 HydrophobicContact CG2-CD1 3.66Å; I1537-L1541 HydrophobicContact CG2-CG 4.14Å; I1537-L1541 WeakPolarHBondContact O-CB 3.37Å; I1537-L1541 WeakPolarHBondContact O-CG 3.36Å; I1537-L1541 PolarHBondContact O-N 3.01Å; L1541-L1543 HydrophobicContact CB-CD1 3.36Å; L1541-L1543 HydrophobicContact CD1-CD1 4.21Å; L1541-L1543 HydrophobicContact CG-CD1 4.44Å; L1541-L1543 PolarHBondContact O-N 3.46Å; L1541-R1620 PolarHBondContact O-NH2 2.8Å; L1541-Q1623 HydrophobicContact CD2-CB 4.15Å; L1541-I1624 HydrophobicContact CD1-CG1 4.02Å; L1541-E1627 HydrophobicContact CD1-CG 4.41Å
1542Q85.1Confident88.3Confident122 Ų12239.7 Ų39.757%0.5720%0.197SC*.THydrogen-bonded Turntrans49.450.1177.6-58.1-175.925.200113.7F1538 Q1539 K1540 D1544 F1591F1538-Q1542 PolarHBondContact O-N 2.71Å; Q1539-Q1542 WeakPolarHBondContact O-CG 3.36Å; Q1539-Q1542 PolarHBondContact O-N 2.62Å; K1540-Q1542 PolarHBondContact O-N 3.33Å; Q1542-D1544 PolarHBondContact O-N 3.36Å; Q1542-F1591 HydrophobicContact CB-CE2 4.21Å; Q1542-F1591 HydrophobicContact CB-CZ 3.99Å
1543L87.7Confident88.9Confident7 Ų737.7 Ų37.74%0.03719%0.186CC..  trans-65.1134.4178.2-76.676.7000110.9F1538 L1541 E1547 F1548 L1551 I1624F1538-L1543 HydrophobicContact CD1-CD1 3.84Å; F1538-L1543 HydrophobicContact CD1-CD2 3.81Å; F1538-L1543 HydrophobicContact CD1-CG 4.34Å; F1538-L1543 HydrophobicContact CE1-CD1 4.34Å; F1538-L1543 HydrophobicContact CE1-CD2 3.66Å; L1541-L1543 HydrophobicContact CB-CD1 3.36Å; L1541-L1543 HydrophobicContact CD1-CD1 4.21Å; L1541-L1543 HydrophobicContact CG-CD1 4.44Å; L1541-L1543 PolarHBondContact O-N 3.46Å; L1543-E1547 WeakPolarHBondContact CA-OE2 3.23Å; L1543-E1547 HydrophobicContact CB-CB 4.18Å; L1543-E1547 HydrophobicContact CD2-CB 4.19Å; L1543-E1547 HydrophobicContact CG-CB 4.21Å; L1543-F1548 HydrophobicContact CB-CD2 3.75Å; L1543-F1548 HydrophobicContact CB-CE2 3.5Å; L1543-F1548 VanDerWaalsContact CB-CE2 3.5Å; L1543-F1548 HydrophobicContact CB-CG 4.5Å; L1543-F1548 HydrophobicContact CB-CZ 4.04Å; L1543-F1548 WeakPolarHBondContact O-CE2 3.42Å; L1543-L1551 HydrophobicContact CD2-CD1 3.57Å; L1543-I1624 HydrophobicContact CD1-CD1 4.31Å; L1543-I1624 HydrophobicContact CD1-CG1 4.14Å; L1543-I1624 HydrophobicContact CD2-CG1 4.5Å; L1543-I1624 HydrophobicContact CD2-CG2 4.15Å; L1543-I1624 HydrophobicContact CG-CD1 4.24Å; L1543-I1624 HydrophobicContact CG-CG1 4.43Å
1544D84.8Confident89.3Confident44 Ų4434 Ų3424%0.23517%0.166CC..  trans-89.5167.317172.460.4000112.9Q1542 K1546 E1547 F1548 R1587Q1542-D1544 PolarHBondContact O-N 3.36Å; D1544-K1546 PolarHBondContact O-N 3.32Å; D1544-K1546 WeakPolarHBondContact OD1-CA 3.4Å; D1544-K1546 VanDerWaalsContact OD1-CB 3.31Å; D1544-K1546 WeakPolarHBondContact OD1-CB 3.36Å; D1544-K1546 PolarHBondContact OD1-N 3.28Å; D1544-E1547 WeakPolarHBondContact O-CA 3.38Å; D1544-E1547 PolarHBondContact O-N 3.16Å; D1544-E1547 PolarHBondContact OD1-N 2.96Å; D1544-F1548 PolarHBondContact O-N 3.29Å; D1544-R1587 VanDerWaalsContact CG-NE 3.3Å; D1544-R1587 VanDerWaalsContact CG-NH2 3.32Å; D1544-R1587 IonicContact OD1-CZ 3.86Å; D1544-R1587 IonicContact OD1-NE 2.68Å; D1544-R1587 PolarHBondContact OD1-NE 3.41Å; D1544-R1587 IonicContact OD1-NH2 3.42Å; D1544-R1587 PolarHBondContact OD1-NH2 2.77Å; D1544-R1587 IonicContact OD2-CZ 2.63Å; D1544-R1587 IonicContact OD2-NE 3.84Å; D1544-R1587 PolarHBondContact OD2-NE 3.43Å; D1544-R1587 IonicContact OD2-NH2 2.66Å; D1544-R1587 PolarHBondContact OD2-NH2 3.17Å
1545N88.1Confident89.5Confident65 Ų6534.1 Ų34.135%0.34817%0.167SC..Hα-helixtrans-53.6-29.1-176.3-56.224.8000113.3T1549N1545-T1549 VanDerWaalsContact O-CB 3.31Å; N1545-T1549 WeakPolarHBondContact O-CB 3.12Å; N1545-T1549 PolarHBondContact O-N 3.48Å; N1545-T1549 PolarHBondContact O-OG1 3.06Å
1546K90.1Very high89.6Confident97 Ų9734 Ų3442%0.42217%0.166SC..Hα-helixtrans-80.4-33.6178.3-54.3-171.8-178.5-170.80111.4D1544 T1549 C1550 F1583D1544-K1546 PolarHBondContact O-N 3.32Å; D1544-K1546 WeakPolarHBondContact OD1-CA 3.4Å; D1544-K1546 VanDerWaalsContact OD1-CB 3.31Å; D1544-K1546 WeakPolarHBondContact OD1-CB 3.36Å; D1544-K1546 PolarHBondContact OD1-N 3.28Å; K1546-T1549 PolarHBondContact O-N 2.76Å; K1546-C1550 PolarHBondContact O-N 3.29Å; K1546-C1550 PolarHBondContact O-SG 2.95Å; K1546-F1583 HydrophobicContact CB-CE1 4.46Å
1547E92.8Very high89.8Confident0 Ų031.3 Ų31.30%015%0.15CC..Hα-helixtrans-67.3-45.7171.6-60.8-168.5133.700110.9L1543 D1544 T1549 C1550 L1551 L1584 R1587 R1620L1543-E1547 WeakPolarHBondContact CA-OE2 3.23Å; L1543-E1547 HydrophobicContact CB-CB 4.18Å; L1543-E1547 HydrophobicContact CD2-CB 4.19Å; L1543-E1547 HydrophobicContact CG-CB 4.21Å; D1544-E1547 WeakPolarHBondContact O-CA 3.38Å; D1544-E1547 PolarHBondContact O-N 3.16Å; D1544-E1547 PolarHBondContact OD1-N 2.96Å; E1547-T1549 VanDerWaalsContact C-N 3.32Å; E1547-T1549 PolarHBondContact O-N 2.9Å; E1547-C1550 WeakPolarHBondContact O-CB 3.16Å; E1547-C1550 PolarHBondContact O-N 3.45Å; E1547-C1550 VanDerWaalsContact O-N 3.14Å; E1547-L1551 PolarHBondContact O-N 3.48Å; E1547-L1584 HydrophobicContact CB-CD1 3.89Å; E1547-L1584 HydrophobicContact CG-CD1 3.98Å; E1547-R1587 HydrophobicContact CG-CB 4.25Å; E1547-R1587 HydrophobicContact CG-CG 3.74Å; E1547-R1587 WeakPolarHBondContact OE1-CG 3.45Å; E1547-R1620 IonicContact OE1-CZ 2.64Å; E1547-R1620 IonicContact OE1-NH1 3.94Å; E1547-R1620 PolarHBondContact OE1-NH1 2.71Å; E1547-R1620 IonicContact OE1-NH2 3.57Å; E1547-R1620 IonicContact OE2-CZ 3.67Å; E1547-R1620 IonicContact OE2-NH1 2.69Å; E1547-R1620 PolarHBondContact OE2-NH1 3.18Å; E1547-R1620 IonicContact OE2-NH2 2.71Å; E1547-R1620 PolarHBondContact OE2-NH2 3.19Å
1548F93.5Very high89.8Confident0 Ų031.1 Ų31.10%015%0.149CC..Hα-helixtrans-58.4-41.2170.4-83.1-71.3000112.7L1420 I1423 H1424 V1427 F1538 L1543 D1544 L1551 K1552L1420-F1548 HydrophobicContact CD2-CD1 4.45Å; I1423-F1548 HydrophobicContact CG2-CE1 3.87Å; I1423-F1548 HydrophobicContact CG2-CZ 4.22Å; H1424-F1548 HydrophobicContact CB-CB 4.33Å; H1424-F1548 HydrophobicContact CB-CD1 3.77Å; H1424-F1548 HydrophobicContact CB-CD2 4.36Å; H1424-F1548 HydrophobicContact CB-CE1 4.09Å; H1424-F1548 HydrophobicContact CB-CG 3.91Å; H1424-F1548 HydrophobicContact CB-CZ 4.49Å; H1424-F1548 AromaticContact CD2-CD2 3.38Å; H1424-F1548 WeakPolarHBondContact CD2-CD2 3.22Å; H1424-F1548 AromaticContact CD2-CG 3.52Å; H1424-F1548 AromaticContact CG-CG 3.91Å; V1427-F1548 HydrophobicContact CB-CE2 4.49Å; V1427-F1548 HydrophobicContact CB-CZ 4.28Å; V1427-F1548 HydrophobicContact CG1-CE2 4.42Å; V1427-F1548 HydrophobicContact CG2-CZ 4.27Å; F1538-F1548 HydrophobicContact CB-CZ 4.39Å; F1538-F1548 AromaticContact CD1-CE1 3.55Å; F1538-F1548 HydrophobicContact CD1-CE1 3.55Å; F1538-F1548 AromaticContact CD1-CZ 3.64Å; F1538-F1548 HydrophobicContact CD1-CZ 3.64Å; F1538-F1548 AromaticContact CE1-CE1 3.87Å; F1538-F1548 HydrophobicContact CE1-CE1 3.87Å; F1538-F1548 HydrophobicContact CE1-CZ 4.38Å; F1538-F1548 HydrophobicContact CG-CE1 4.39Å; F1538-F1548 HydrophobicContact CG-CZ 4.34Å; L1543-F1548 HydrophobicContact CB-CD2 3.75Å; L1543-F1548 HydrophobicContact CB-CE2 3.5Å; L1543-F1548 VanDerWaalsContact CB-CE2 3.5Å; L1543-F1548 HydrophobicContact CB-CG 4.5Å; L1543-F1548 HydrophobicContact CB-CZ 4.04Å; L1543-F1548 WeakPolarHBondContact O-CE2 3.42Å; D1544-F1548 PolarHBondContact O-N 3.29Å; F1548-L1551 PolarHBondContact O-N 3.35Å; F1548-K1552 WeakPolarHBondContact O-CG 3.42Å; F1548-K1552 PolarHBondContact O-N 3.31Å; F1548-K1552 VanDerWaalsContact O-N 3.08Å
1549T91.5Very high89Confident17 Ų1731.5 Ų31.510%0.10415%0.152CC..Hα-helixtrans-59.3-46.7173.6-62.80000111N1545 K1546 E1547 L1551 K1552 F1553N1545-T1549 VanDerWaalsContact O-CB 3.31Å; N1545-T1549 WeakPolarHBondContact O-CB 3.12Å; N1545-T1549 PolarHBondContact O-N 3.48Å; N1545-T1549 PolarHBondContact O-OG1 3.06Å; K1546-T1549 PolarHBondContact O-N 2.76Å; E1547-T1549 VanDerWaalsContact C-N 3.32Å; E1547-T1549 PolarHBondContact O-N 2.9Å; T1549-L1551 VanDerWaalsContact C-N 3.33Å; T1549-L1551 PolarHBondContact O-N 3.37Å; T1549-K1552 PolarHBondContact O-N 2.88Å; T1549-F1553 HydrophobicContact CG2-CD2 3.78Å; T1549-F1553 HydrophobicContact CG2-CE2 3.7Å; T1549-F1553 VanDerWaalsContact O-CD2 3.3Å; T1549-F1553 WeakPolarHBondContact O-CD2 3.38Å; T1549-F1553 PolarHBondContact O-N 3Å
1550C94.1Very high88.2Confident4 Ų433.8 Ų33.83%0.02717%0.165CC..Hα-helixtrans-59.9-39.2175.6-71.40000112.9K1546 E1547 F1553 I1554 F1583 L1584K1546-C1550 PolarHBondContact O-N 3.29Å; K1546-C1550 PolarHBondContact O-SG 2.95Å; E1547-C1550 WeakPolarHBondContact O-CB 3.16Å; E1547-C1550 PolarHBondContact O-N 3.45Å; E1547-C1550 VanDerWaalsContact O-N 3.14Å; C1550-F1553 PolarHBondContact O-N 2.98Å; C1550-I1554 WeakPolarHBondContact O-CB 3.47Å; C1550-I1554 WeakPolarHBondContact O-CD1 3.26Å; C1550-I1554 WeakPolarHBondContact O-CG1 3.43Å; C1550-I1554 PolarHBondContact O-N 2.88Å; C1550-F1583 WeakPolarHBondContact SG-CD1 3.46Å; C1550-L1584 HydrophobicContact CB-CB 4.22Å; C1550-L1584 HydrophobicContact CB-CD1 4.37Å
1551L94.4Very high87.5Confident0 Ų027.4 Ų27.40%014%0.137CC..Hα-helixtrans-62.7-44.7175.7-67.5179.8000112.1L1420 F1538 L1543 E1547 F1548 T1549 F1553 I1554 V1555 L1584 I1624 L1625 L1628L1420-L1551 HydrophobicContact CD1-CB 4.19Å; L1420-L1551 HydrophobicContact CD2-CB 4.17Å; L1420-L1551 HydrophobicContact CD2-CD1 4.23Å; F1538-L1551 HydrophobicContact CE1-CD1 3.68Å; F1538-L1551 HydrophobicContact CZ-CD1 4.17Å; L1543-L1551 HydrophobicContact CD2-CD1 3.57Å; E1547-L1551 PolarHBondContact O-N 3.48Å; F1548-L1551 PolarHBondContact O-N 3.35Å; T1549-L1551 VanDerWaalsContact C-N 3.33Å; T1549-L1551 PolarHBondContact O-N 3.37Å; L1551-F1553 VanDerWaalsContact C-N 3.28Å; L1551-F1553 PolarHBondContact O-N 2.84Å; L1551-I1554 PolarHBondContact O-N 3.48Å; L1551-V1555 WeakPolarHBondContact O-CB 3.31Å; L1551-V1555 WeakPolarHBondContact O-CG2 3.41Å; L1551-V1555 PolarHBondContact O-N 3Å; L1551-L1584 HydrophobicContact CD2-CD2 3.93Å; L1551-I1624 HydrophobicContact CD1-CG2 4.24Å; L1551-I1624 HydrophobicContact CD2-CG2 3.86Å; L1551-I1624 HydrophobicContact CG-CG2 4.43Å; L1551-L1625 HydrophobicContact CD2-CD2 4.23Å; L1551-L1628 HydrophobicContact CB-CD2 4.49Å; L1551-L1628 HydrophobicContact CD2-CD1 4.14Å; L1551-L1628 HydrophobicContact CD2-CD2 4.15Å; L1551-L1628 HydrophobicContact CD2-CG 4.32Å
1552K93.1Very high85.7Confident4 Ų434.8 Ų34.82%0.01717%0.171CC..Hα-helixtrans-57.4-41.9174.2-63.1170.2-168.7177.80111.5W1391 I1417 L1420 E1421 H1424 F1548 T1549 L1556W1391-K1552 HydrophobicContact CH2-CB 4.25Å; I1417-K1552 HydrophobicContact CG2-CB 4.34Å; I1417-K1552 HydrophobicContact CG2-CG 4.23Å; L1420-K1552 HydrophobicContact CB-CG 4.26Å; L1420-K1552 HydrophobicContact CD1-CG 4.34Å; E1421-K1552 IonicContact OE1-NZ 3.26Å; E1421-K1552 PolarHBondContact OE1-NZ 3.5Å; E1421-K1552 WeakPolarHBondContact OE2-CE 3.4Å; E1421-K1552 IonicContact OE2-NZ 2.77Å; E1421-K1552 PolarHBondContact OE2-NZ 3.13Å; H1424-K1552 PolarHBondContact CE1-NZ 3.35Å; F1548-K1552 WeakPolarHBondContact O-CG 3.42Å; F1548-K1552 PolarHBondContact O-N 3.31Å; F1548-K1552 VanDerWaalsContact O-N 3.08Å; T1549-K1552 PolarHBondContact O-N 2.88Å; K1552-L1556 VanDerWaalsContact O-CB 3.26Å; K1552-L1556 WeakPolarHBondContact O-CB 3.16Å; K1552-L1556 PolarHBondContact O-N 2.9Å
1553F93.4Very high84.1Confident5 Ų533.1 Ų33.12%0.02217%0.166CC..Hα-helixtrans-67.1-42174.5-86.2-75.1000113.6W1391 I1395 T1549 C1550 L1551 V1555 L1556 F1557 F1580W1391-F1553 HydrophobicContact CH2-CD2 4.38Å; W1391-F1553 HydrophobicContact CH2-CE1 4.42Å; W1391-F1553 HydrophobicContact CH2-CE2 4.23Å; W1391-F1553 HydrophobicContact CH2-CZ 4.24Å; W1391-F1553 HydrophobicContact CZ2-CD2 4.23Å; W1391-F1553 HydrophobicContact CZ2-CE1 4.37Å; W1391-F1553 AromaticContact CZ2-CE2 3.7Å; W1391-F1553 HydrophobicContact CZ2-CE2 3.7Å; W1391-F1553 AromaticContact CZ2-CZ 3.77Å; W1391-F1553 HydrophobicContact CZ2-CZ 3.77Å; I1395-F1553 HydrophobicContact CD1-CE1 3.67Å; I1395-F1553 HydrophobicContact CD1-CZ 3.97Å; I1395-F1553 HydrophobicContact CG1-CE1 4.11Å; I1395-F1553 HydrophobicContact CG1-CZ 4.1Å; I1395-F1553 HydrophobicContact CG2-CE1 3.76Å; I1395-F1553 HydrophobicContact CG2-CZ 4.27Å; T1549-F1553 HydrophobicContact CG2-CD2 3.78Å; T1549-F1553 HydrophobicContact CG2-CE2 3.7Å; T1549-F1553 VanDerWaalsContact O-CD2 3.3Å; T1549-F1553 WeakPolarHBondContact O-CD2 3.38Å; T1549-F1553 PolarHBondContact O-N 3Å; C1550-F1553 PolarHBondContact O-N 2.98Å; L1551-F1553 VanDerWaalsContact C-N 3.28Å; L1551-F1553 PolarHBondContact O-N 2.84Å; F1553-V1555 VanDerWaalsContact C-N 3.31Å; F1553-V1555 PolarHBondContact O-N 3.41Å; F1553-L1556 PolarHBondContact O-N 3.18Å; F1553-F1557 HydrophobicContact CD1-CD2 4.04Å; F1553-F1557 AromaticContact CD1-CE2 3.82Å; F1553-F1557 HydrophobicContact CD1-CE2 3.82Å; F1553-F1557 HydrophobicContact CE1-CE2 4.2Å; F1553-F1557 WeakPolarHBondContact O-CB 3.49Å; F1553-F1557 WeakPolarHBondContact O-CD2 3.21Å; F1553-F1557 PolarHBondContact O-N 3.37Å; F1553-F1580 HydrophobicContact CB-CB 4.24Å; F1553-F1580 HydrophobicContact CB-CD1 3.83Å; F1553-F1580 HydrophobicContact CB-CD2 3.61Å; F1553-F1580 HydrophobicContact CB-CE1 4.04Å; F1553-F1580 HydrophobicContact CB-CE2 3.82Å; F1553-F1580 HydrophobicContact CB-CG 3.62Å; F1553-F1580 HydrophobicContact CB-CZ 4.03Å; F1553-F1580 AromaticContact CD1-CD2 3.97Å; F1553-F1580 HydrophobicContact CD1-CD2 3.97Å; F1553-F1580 HydrophobicContact CD1-CE1 4.12Å; F1553-F1580 AromaticContact CD1-CE2 3.28Å; F1553-F1580 HydrophobicContact CD1-CE2 3.28Å; F1553-F1580 AromaticContact CD1-CZ 3.38Å; F1553-F1580 HydrophobicContact CD1-CZ 3.38Å; F1553-F1580 HydrophobicContact CD2-CD1 4.04Å; F1553-F1580 AromaticContact CD2-CE1 3.48Å; F1553-F1580 HydrophobicContact CD2-CE1 3.48Å; F1553-F1580 VanDerWaalsContact CD2-CE1 3.48Å; F1553-F1580 HydrophobicContact CD2-CE2 4.19Å; F1553-F1580 AromaticContact CD2-CZ 3.57Å; F1553-F1580 HydrophobicContact CD2-CZ 3.57Å; F1553-F1580 HydrophobicContact CE1-CE1 4.45Å; F1553-F1580 AromaticContact CE1-CE2 3.79Å; F1553-F1580 HydrophobicContact CE1-CE2 3.79Å; F1553-F1580 AromaticContact CE1-CZ 3.56Å; F1553-F1580 HydrophobicContact CE1-CZ 3.56Å; F1553-F1580 AromaticContact CE2-CE1 3.89Å; F1553-F1580 HydrophobicContact CE2-CE1 3.89Å; F1553-F1580 AromaticContact CE2-CZ 3.77Å; F1553-F1580 HydrophobicContact CE2-CZ 3.77Å; F1553-F1580 AromaticContact CG-CD1 3.97Å; F1553-F1580 HydrophobicContact CG-CD1 3.97Å; F1553-F1580 AromaticContact CG-CD2 3.89Å; F1553-F1580 HydrophobicContact CG-CD2 3.89Å; F1553-F1580 AromaticContact CG-CE1 3.63Å; F1553-F1580 HydrophobicContact CG-CE1 3.63Å; F1553-F1580 AromaticContact CG-CE2 3.52Å; F1553-F1580 HydrophobicContact CG-CE2 3.52Å; F1553-F1580 HydrophobicContact CG-CG 4.09Å; F1553-F1580 AromaticContact CG-CZ 3.39Å; F1553-F1580 HydrophobicContact CG-CZ 3.39Å; F1553-F1580 HydrophobicContact CZ-CE1 4.37Å; F1553-F1580 HydrophobicContact CZ-CE2 4.46Å; F1553-F1580 AromaticContact CZ-CZ 3.78Å; F1553-F1580 HydrophobicContact CZ-CZ 3.78Å
1554I92.8Very high82.9Confident9 Ų933.6 Ų33.65%0.04617%0.169CC..Hα-helixtrans-66.4-35.5179.7-71.3163.4000111.1C1550 L1551 Q1577 F1580 L1584 L1625 L1628C1550-I1554 WeakPolarHBondContact O-CB 3.47Å; C1550-I1554 WeakPolarHBondContact O-CD1 3.26Å; C1550-I1554 WeakPolarHBondContact O-CG1 3.43Å; C1550-I1554 PolarHBondContact O-N 2.88Å; L1551-I1554 PolarHBondContact O-N 3.48Å; I1554-Q1577 HydrophobicContact CG2-CG 4.39Å; I1554-Q1577 PolarHBondContact O-NE2 3.48Å; I1554-F1580 HydrophobicContact CD1-CB 4.41Å; I1554-F1580 HydrophobicContact CG1-CB 3.87Å; I1554-L1584 HydrophobicContact CD1-CB 4.48Å; I1554-L1584 HydrophobicContact CD1-CD2 3.79Å; I1554-L1625 HydrophobicContact CD1-CD2 4.4Å; I1554-L1625 HydrophobicContact CG2-CD2 4.46Å; I1554-L1628 HydrophobicContact CG2-CD1 4.25Å
1555V92.5Very high81.9Confident6 Ų639.2 Ų39.24%0.03619%0.192CC..Hα-helixtrans-71.9-46.6173.7165.50000111.7E1416 I1417 L1420 L1551 F1553 N1558 L1628E1416-V1555 HydrophobicContact CB-CG1 3.74Å; E1416-V1555 WeakPolarHBondContact OE2-CG1 3.44Å; I1417-V1555 HydrophobicContact CG1-CG1 3.87Å; L1420-V1555 HydrophobicContact CD1-CB 4.41Å; L1420-V1555 HydrophobicContact CD1-CG2 3.93Å; L1551-V1555 WeakPolarHBondContact O-CB 3.31Å; L1551-V1555 WeakPolarHBondContact O-CG2 3.41Å; L1551-V1555 PolarHBondContact O-N 3Å; F1553-V1555 VanDerWaalsContact C-N 3.31Å; F1553-V1555 PolarHBondContact O-N 3.41Å; V1555-N1558 WeakPolarHBondContact O-CB 3.17Å; V1555-N1558 PolarHBondContact O-N 2.94Å; V1555-L1628 HydrophobicContact CG2-CD1 4.3Å; V1555-L1628 HydrophobicContact CG2-CD2 3.79Å
1556L91.6Very high81.4Confident0 Ų037.1 Ų37.10%018%0.181CC..Hα-helixtrans-61.4-46178176.458.2000112W1391 M1392 I1395 F1398 L1409 S1413 I1417 K1552 F1553 N1558W1391-L1556 HydrophobicContact CH2-CD2 4.46Å; W1391-L1556 HydrophobicContact CZ3-CD2 4.02Å; M1392-L1556 HydrophobicContact CG-CD2 3.84Å; M1392-L1556 HydrophobicContact SD-CD1 3.5Å; M1392-L1556 WeakPolarHBondContact SD-CD1 3.27Å; M1392-L1556 HydrophobicContact SD-CD2 3.75Å; M1392-L1556 HydrophobicContact SD-CG 4.3Å; I1395-L1556 HydrophobicContact CD1-CD2 4.08Å; F1398-L1556 HydrophobicContact CE2-CD1 4.4Å; F1398-L1556 HydrophobicContact CE2-CD2 4.48Å; L1409-L1556 HydrophobicContact CB-CD1 4.1Å; L1409-L1556 WeakPolarHBondContact CD2-O 3.16Å; S1413-L1556 WeakPolarHBondContact OG-CD1 3.41Å; I1417-L1556 HydrophobicContact CD1-CB 3.89Å; I1417-L1556 HydrophobicContact CD1-CD1 4.17Å; K1552-L1556 VanDerWaalsContact O-CB 3.26Å; K1552-L1556 WeakPolarHBondContact O-CB 3.16Å; K1552-L1556 PolarHBondContact O-N 2.9Å; F1553-L1556 PolarHBondContact O-N 3.18Å; L1556-N1558 VanDerWaalsContact C-N 3.27Å; L1556-N1558 PolarHBondContact O-N 2.97Å
1557F90.3Very high80.2Confident0 Ų036.9 Ų36.90%019%0.187CC..THydrogen-bonded Turntrans-9238.7-179.5-70.5-89.5000112.3F1398 L1401 L1409 F1553 P1559 A1573 I1576 Q1577F1398-F1557 HydrophobicContact CB-CZ 4.4Å; F1398-F1557 HydrophobicContact CD2-CE1 4.3Å; F1398-F1557 AromaticContact CD2-CZ 3.84Å; F1398-F1557 HydrophobicContact CD2-CZ 3.84Å; L1401-F1557 HydrophobicContact CD1-CE1 4.08Å; L1409-F1557 HydrophobicContact CD1-CD1 4.14Å; L1409-F1557 HydrophobicContact CD1-CE1 4.33Å; F1553-F1557 HydrophobicContact CD1-CD2 4.04Å; F1553-F1557 AromaticContact CD1-CE2 3.82Å; F1553-F1557 HydrophobicContact CD1-CE2 3.82Å; F1553-F1557 HydrophobicContact CE1-CE2 4.2Å; F1553-F1557 WeakPolarHBondContact O-CB 3.49Å; F1553-F1557 WeakPolarHBondContact O-CD2 3.21Å; F1553-F1557 PolarHBondContact O-N 3.37Å; F1557-P1559 WeakPolarHBondContact O-CD 3.29Å; F1557-A1573 HydrophobicContact CD1-CB 4.43Å; F1557-I1576 HydrophobicContact CB-CG2 4.35Å; F1557-I1576 HydrophobicContact CD1-CB 4Å; F1557-I1576 HydrophobicContact CD1-CD1 4Å; F1557-I1576 HydrophobicContact CD1-CG2 3.82Å; F1557-I1576 HydrophobicContact CD2-CG2 3.78Å; F1557-I1576 HydrophobicContact CE1-CB 4.28Å; F1557-I1576 HydrophobicContact CE1-CD1 3.52Å; F1557-I1576 HydrophobicContact CE1-CG2 3.97Å; F1557-I1576 HydrophobicContact CE2-CG2 3.95Å; F1557-I1576 HydrophobicContact CG-CB 4.26Å; F1557-I1576 HydrophobicContact CG-CG2 3.71Å; F1557-I1576 HydrophobicContact CZ-CD1 4.1Å; F1557-I1576 HydrophobicContact CZ-CG2 4.03Å; F1557-Q1577 HydrophobicContact CB-CB 4.24Å; F1557-Q1577 WeakPolarHBondContact O-CB 3.27Å; F1557-Q1577 VanDerWaalsContact O-CG 3.32Å; F1557-Q1577 WeakPolarHBondContact O-CG 3.4Å; F1557-Q1577 PolarHBondContact O-NE2 2.87Å
1558N85.6Confident78.9Confident49 Ų4940.4 Ų40.426%0.26221%0.212SC..  trans-101.690.5173.4-170.8-1.2000112.2V1555 L1556 L1560V1555-N1558 WeakPolarHBondContact O-CB 3.17Å; V1555-N1558 PolarHBondContact O-N 2.94Å; L1556-N1558 VanDerWaalsContact C-N 3.27Å; L1556-N1558 PolarHBondContact O-N 2.97Å; N1558-L1560 VanDerWaalsContact C-N 3.25Å; N1558-L1560 PolarHBondContact O-N 3.14Å; N1558-L1560 PolarHBondContact OD1-N 3.18Å
1559P72.2Confident77.9Confident9 Ų942.7 Ų42.76%0.05822%0.224CC..THydrogen-bonded Turntrans-79.1-4-17935.3-38.8000114F1557 T1564 L1566 L1570 A1573 L1574F1557-P1559 WeakPolarHBondContact O-CD 3.29Å; P1559-T1564 PolarHBondContact O-OG1 2.87Å; P1559-T1564 VanDerWaalsContact O-OG1 3.13Å; P1559-L1566 HydrophobicContact CB-CD1 3.74Å; P1559-L1566 HydrophobicContact CB-CG 4.25Å; P1559-L1570 HydrophobicContact CB-CD1 3.55Å; P1559-L1570 HydrophobicContact CG-CD1 3.51Å; P1559-A1573 HydrophobicContact CG-CB 4.37Å; P1559-L1574 HydrophobicContact CG-CD2 3.7Å; P1559-L1574 HydrophobicContact CG-CG 3.95Å
1560L69.3Low77.5Confident97 Ų9744.8 Ų44.851%0.50823%0.234SC..THydrogen-bonded Turntrans-909.9177.3-59.9177.1000112V281 N1558V281-L1560 HydrophobicContact CB-CD1 4.04Å; V281-L1560 HydrophobicContact CG1-CD1 4.02Å; V281-L1560 HydrophobicContact CG2-CD1 3.99Å; N1558-L1560 VanDerWaalsContact C-N 3.25Å; N1558-L1560 PolarHBondContact O-N 3.14Å; N1558-L1560 PolarHBondContact OD1-N 3.18Å
1561K68.9Low77Confident22 Ų2247.2 Ų47.210%0.09625%0.251CS..SBendtrans-77126.8172-156.1166.9-174.5-1800108.3S1412 E1416 D1563 T1564S1412-K1561 VanDerWaalsContact O-CE 3.3Å; S1412-K1561 WeakPolarHBondContact O-CE 3.26Å; S1412-K1561 PolarHBondContact O-NZ 3.13Å; E1416-K1561 VanDerWaalsContact OE1-CE 3.28Å; E1416-K1561 WeakPolarHBondContact OE1-CE 3.41Å; E1416-K1561 IonicContact OE1-NZ 2.75Å; E1416-K1561 PolarHBondContact OE1-NZ 3.11Å; E1416-K1561 IonicContact OE2-NZ 3.75Å; E1416-K1561 PolarHBondContact OE2-NZ 3.1Å; K1561-D1563 PolarHBondContact O-N 2.87Å; K1561-T1564 PolarHBondContact O-N 3.17Å; K1561-T1564 VanDerWaalsContact O-N 3.15Å; K1561-T1564 PolarHBondContact O-OG1 2.85Å
1562H48.7Very low76.7Confident173 Ų17349.9 Ų49.980%0.80126%0.262SS*.THydrogen-bonded Turntrans-35123.1-168.6-52.1-60.8000113.1T1564H1562-T1564 PolarHBondContact O-N 3.17Å
1563D50.6Low76.4Confident88 Ų8849.7 Ų49.747%0.47126%0.261SS..THydrogen-bonded Turntrans66.517.1173.8-41.9-43.9000117.5K1561 F1565 R1667K1561-D1563 PolarHBondContact O-N 2.87Å; D1563-F1565 VanDerWaalsContact C-N 3.34Å; D1563-F1565 PolarHBondContact O-N 2.94Å; D1563-F1565 VanDerWaalsContact O-N 3.11Å; D1563-R1667 PolarHBondContact O-NH1 3.03Å
1564T62Low76.2Confident17 Ų1751.4 Ų51.410%0.10427%0.27CS..  trans-81.770.6167.547.50000113.8Q1408 S1412 P1559 K1561 H1562 L1566Q1408-T1564 HydrophobicContact CB-CG2 4.38Å; S1412-T1564 VanDerWaalsContact CB-CG2 3.49Å; P1559-T1564 PolarHBondContact O-OG1 2.87Å; P1559-T1564 VanDerWaalsContact O-OG1 3.13Å; K1561-T1564 PolarHBondContact O-N 3.17Å; K1561-T1564 VanDerWaalsContact O-N 3.15Å; K1561-T1564 PolarHBondContact O-OG1 2.85Å; H1562-T1564 PolarHBondContact O-N 3.17Å; T1564-L1566 VanDerWaalsContact C-N 3.34Å; T1564-L1566 PolarHBondContact O-N 3.42Å
1565F65Low76Confident161 Ų16157.7 Ų57.771%0.70630%0.297SS*.  trans-67.886.9169.4-66.9-83000111.9Q1408 D1563 T1567Q1408-F1565 PolarHBondContact NE2-O 3.13Å; Q1408-F1565 VanDerWaalsContact NE2-O 3.17Å; Q1408-F1565 VanDerWaalsContact OE1-C 3.28Å; Q1408-F1565 PolarHBondContact OE1-O 3.47Å; Q1408-F1565 VanDerWaalsContact OE1-O 3.04Å; D1563-F1565 VanDerWaalsContact C-N 3.34Å; D1563-F1565 PolarHBondContact O-N 2.94Å; D1563-F1565 VanDerWaalsContact O-N 3.11Å; F1565-T1567 PolarHBondContact O-N 2.58Å
1566L76Confident75.9Confident22 Ų2257.7 Ų57.712%0.11530%0.297CS..  trans-61.3125.9170.3-61.3-172.9000110.3D1405 Q1408 L1409 P1559 T1564 S1568 A1573D1405-L1566 HydrophobicContact CB-CD2 3.95Å; Q1408-L1566 HydrophobicContact CB-CD2 4.12Å; L1409-L1566 HydrophobicContact CD2-CD1 4.26Å; L1409-L1566 HydrophobicContact CD2-CD2 4.02Å; L1409-L1566 HydrophobicContact CG-CD2 4.11Å; P1559-L1566 HydrophobicContact CB-CD1 3.74Å; P1559-L1566 HydrophobicContact CB-CG 4.25Å; T1564-L1566 VanDerWaalsContact C-N 3.34Å; T1564-L1566 PolarHBondContact O-N 3.42Å; L1566-S1568 VanDerWaalsContact C-N 3.35Å; L1566-S1568 PolarHBondContact O-N 2.9Å; L1566-A1573 HydrophobicContact CD1-CB 3.72Å
1567T65.8Low75.8Confident91 Ų9159 Ų5956%0.55830%0.303SS*.SBendtrans-72.2-23.8-166.859.90000114.2E1404 D1405 F1565E1404-T1567 HydrophobicContact CB-CG2 4.34Å; E1404-T1567 HydrophobicContact CG-CG2 3.75Å; D1405-T1567 WeakPolarHBondContact OD1-CB 3.4Å; D1405-T1567 PolarHBondContact OD1-N 3.44Å; D1405-T1567 PolarHBondContact OD1-OG1 3.02Å; F1565-T1567 PolarHBondContact O-N 2.58Å
1568S64.9Low75.8Confident75 Ų7561 Ų6152%0.52432%0.323SS..SBendtrans-147-28.3-178.560.60000115D1405 L1566D1405-S1568 PolarHBondContact OD2-N 3.2Å; L1566-S1568 VanDerWaalsContact C-N 3.35Å; L1566-S1568 PolarHBondContact O-N 2.9Å
1569N72.8Confident76.1Confident47 Ų4765 Ų6525%0.25134%0.338SS..  trans-120.430.9-160-95.1-70.9000116.1L1401 D1405 S1571 Y1572 A1573L1401-N1569 HydrophobicContact CD2-CB 3.57Å; D1405-N1569 PolarHBondContact OD2-N 3.15Å; N1569-S1571 VanDerWaalsContact C-N 3.29Å; N1569-S1571 PolarHBondContact O-N 3.32Å; N1569-Y1572 WeakPolarHBondContact O-CB 3.22Å; N1569-Y1572 PolarHBondContact O-N 3.4Å; N1569-Y1572 WeakPolarHBondContact OD1-CB 3.22Å; N1569-A1573 PolarHBondContact O-N 2.77Å
1570L84Confident77.2Confident61 Ų6166.3 Ų66.332%0.31934%0.343SS..Hα-helixtrans-50.4-46.1173.1177.560.5000112.9I279 P1559 Y1572 A1573 L1574I279-L1570 HydrophobicContact CD1-CD2 4.28Å; I279-L1570 HydrophobicContact CD1-CG 4.29Å; P1559-L1570 HydrophobicContact CB-CD1 3.55Å; P1559-L1570 HydrophobicContact CG-CD1 3.51Å; L1570-Y1572 VanDerWaalsContact C-N 3.31Å; L1570-Y1572 PolarHBondContact O-N 2.85Å; L1570-A1573 PolarHBondContact O-N 3.35Å; L1570-L1574 HydrophobicContact CD1-CD1 3.99Å; L1570-L1574 HydrophobicContact CD1-CG 4.21Å; L1570-L1574 HydrophobicContact CG-CD1 4.11Å; L1570-L1574 WeakPolarHBondContact O-CG 3.47Å; L1570-L1574 PolarHBondContact O-N 3.11Å
1571S83.9Confident78.2Confident55 Ų5562.9 Ų62.939%0.38533%0.327SS..Hα-helixtrans-62.5-37.6178-1690000112.7N1569 K1575N1569-S1571 VanDerWaalsContact C-N 3.29Å; N1569-S1571 PolarHBondContact O-N 3.32Å; S1571-K1575 VanDerWaalsContact O-CB 3.23Å; S1571-K1575 WeakPolarHBondContact O-CB 3.42Å; S1571-K1575 PolarHBondContact O-N 2.87Å
1572Y87.5Confident79.3Confident56 Ų5667.7 Ų67.722%0.2235%0.35CS..Hα-helixtrans-73.1-41.8-179.8179.3-100.4000111.8S1397 V1400 L1401 N1569 L1570 K1575 I1576S1397-Y1572 WeakPolarHBondContact O-CE1 3.44Å; S1397-Y1572 PolarHBondContact O-OH 3.42Å; V1400-Y1572 HydrophobicContact CB-CE1 4.2Å; V1400-Y1572 WeakPolarHBondContact CB-OH 3.3Å; V1400-Y1572 HydrophobicContact CG1-CE1 4.4Å; V1400-Y1572 HydrophobicContact CG1-CE2 4.43Å; L1401-Y1572 HydrophobicContact CD2-CD1 3.79Å; L1401-Y1572 HydrophobicContact CD2-CE1 4.19Å; L1401-Y1572 HydrophobicContact CG-CD1 4.32Å; L1401-Y1572 HydrophobicContact CG-CE1 4.23Å; N1569-Y1572 WeakPolarHBondContact O-CB 3.22Å; N1569-Y1572 PolarHBondContact O-N 3.4Å; N1569-Y1572 WeakPolarHBondContact OD1-CB 3.22Å; L1570-Y1572 VanDerWaalsContact C-N 3.31Å; L1570-Y1572 PolarHBondContact O-N 2.85Å; Y1572-K1575 PolarHBondContact O-N 3.34Å; Y1572-I1576 HydrophobicContact CD1-CD1 3.68Å; Y1572-I1576 HydrophobicContact CE1-CD1 3.29Å; Y1572-I1576 HydrophobicContact CE1-CG1 4.44Å; Y1572-I1576 HydrophobicContact CE2-CD1 4.35Å; Y1572-I1576 HydrophobicContact CG-CD1 4.36Å; Y1572-I1576 WeakPolarHBondContact O-CG1 3.43Å; Y1572-I1576 PolarHBondContact O-N 3.37Å
1573A86.9Confident81.5Confident0 Ų063.9 Ų63.90%033%0.331CS..Hα-helixtrans-59.2-50173.200000111.5F1557 P1559 L1566 N1569 L1570 K1575 I1576 Q1577F1557-A1573 HydrophobicContact CD1-CB 4.43Å; P1559-A1573 HydrophobicContact CG-CB 4.37Å; L1566-A1573 HydrophobicContact CD1-CB 3.72Å; N1569-A1573 PolarHBondContact O-N 2.77Å; L1570-A1573 PolarHBondContact O-N 3.35Å; A1573-K1575 VanDerWaalsContact C-N 3.31Å; A1573-K1575 PolarHBondContact O-N 2.8Å; A1573-I1576 PolarHBondContact O-N 2.87Å; A1573-I1576 VanDerWaalsContact O-N 3.13Å; A1573-Q1577 PolarHBondContact O-N 3.25Å
1574L88.4Confident83.6Confident41 Ų4159.7 Ų59.722%0.21531%0.309CS..Hα-helixtrans-60.9-37.5175.3-69171.6000112.4I279 P1559 L1570 I1576 Q1577 G1578I279-L1574 HydrophobicContact CG1-CD1 4.34Å; P1559-L1574 HydrophobicContact CG-CD2 3.7Å; P1559-L1574 HydrophobicContact CG-CG 3.95Å; L1570-L1574 HydrophobicContact CD1-CD1 3.99Å; L1570-L1574 HydrophobicContact CD1-CG 4.21Å; L1570-L1574 HydrophobicContact CG-CD1 4.11Å; L1570-L1574 WeakPolarHBondContact O-CG 3.47Å; L1570-L1574 PolarHBondContact O-N 3.11Å; L1574-I1576 VanDerWaalsContact C-N 3.34Å; L1574-I1576 PolarHBondContact O-N 2.94Å; L1574-Q1577 PolarHBondContact O-N 3.06Å; L1574-G1578 PolarHBondContact O-N 2.9Å
1575K89.2Confident84.9Confident142 Ų14260.8 Ų60.862%0.61731%0.314SS*.Hα-helixtrans-65.8-33.6175.4-175.2176.7-177.1177.90112.6S1571 Y1572 A1573 K1579S1571-K1575 VanDerWaalsContact O-CB 3.23Å; S1571-K1575 WeakPolarHBondContact O-CB 3.42Å; S1571-K1575 PolarHBondContact O-N 2.87Å; Y1572-K1575 PolarHBondContact O-N 3.34Å; A1573-K1575 VanDerWaalsContact C-N 3.31Å; A1573-K1575 PolarHBondContact O-N 2.8Å; K1575-K1579 WeakPolarHBondContact O-CG 3.03Å; K1575-K1579 PolarHBondContact O-N 3.15Å
1576I89.6Confident86.1Confident6 Ų659.8 Ų59.83%0.03131%0.309CS..Hα-helixtrans-72.5-48.3172.8-69.5163.3000110.4S1397 F1557 Y1572 A1573 L1574 G1578 K1579 F1580S1397-I1576 WeakPolarHBondContact O-CD1 3.48Å; F1557-I1576 HydrophobicContact CB-CG2 4.35Å; F1557-I1576 HydrophobicContact CD1-CB 4Å; F1557-I1576 HydrophobicContact CD1-CD1 4Å; F1557-I1576 HydrophobicContact CD1-CG2 3.82Å; F1557-I1576 HydrophobicContact CD2-CG2 3.78Å; F1557-I1576 HydrophobicContact CE1-CB 4.28Å; F1557-I1576 HydrophobicContact CE1-CD1 3.52Å; F1557-I1576 HydrophobicContact CE1-CG2 3.97Å; F1557-I1576 HydrophobicContact CE2-CG2 3.95Å; F1557-I1576 HydrophobicContact CG-CB 4.26Å; F1557-I1576 HydrophobicContact CG-CG2 3.71Å; F1557-I1576 HydrophobicContact CZ-CD1 4.1Å; F1557-I1576 HydrophobicContact CZ-CG2 4.03Å; Y1572-I1576 HydrophobicContact CD1-CD1 3.68Å; Y1572-I1576 HydrophobicContact CE1-CD1 3.29Å; Y1572-I1576 HydrophobicContact CE1-CG1 4.44Å; Y1572-I1576 HydrophobicContact CE2-CD1 4.35Å; Y1572-I1576 HydrophobicContact CG-CD1 4.36Å; Y1572-I1576 WeakPolarHBondContact O-CG1 3.43Å; Y1572-I1576 PolarHBondContact O-N 3.37Å; A1573-I1576 PolarHBondContact O-N 2.87Å; A1573-I1576 VanDerWaalsContact O-N 3.13Å; L1574-I1576 VanDerWaalsContact C-N 3.34Å; L1574-I1576 PolarHBondContact O-N 2.94Å; I1576-G1578 VanDerWaalsContact C-N 3.3Å; I1576-G1578 PolarHBondContact O-N 3.06Å; I1576-K1579 WeakPolarHBondContact O-CB 3.21Å; I1576-K1579 PolarHBondContact O-N 3.08Å; I1576-F1580 HydrophobicContact CG2-CD2 3.82Å; I1576-F1580 HydrophobicContact CG2-CE2 3.7Å; I1576-F1580 WeakPolarHBondContact O-CD2 3.11Å; I1576-F1580 PolarHBondContact O-N 3.4Å
1577Q89.8Confident86.7Confident28 Ų2861.7 Ų61.713%0.13132%0.315CS..Hα-helixtrans-55.1-47.6177.8-155.7-172.12900110.8I1554 F1557 A1573 L1574 K1579 F1580 C1581I1554-Q1577 HydrophobicContact CG2-CG 4.39Å; I1554-Q1577 PolarHBondContact O-NE2 3.48Å; F1557-Q1577 HydrophobicContact CB-CB 4.24Å; F1557-Q1577 WeakPolarHBondContact O-CB 3.27Å; F1557-Q1577 VanDerWaalsContact O-CG 3.32Å; F1557-Q1577 WeakPolarHBondContact O-CG 3.4Å; F1557-Q1577 PolarHBondContact O-NE2 2.87Å; A1573-Q1577 PolarHBondContact O-N 3.25Å; L1574-Q1577 PolarHBondContact O-N 3.06Å; Q1577-K1579 VanDerWaalsContact C-N 3.32Å; Q1577-K1579 PolarHBondContact O-N 3.31Å; Q1577-F1580 PolarHBondContact O-N 3.4Å; Q1577-F1580 VanDerWaalsContact O-N 3.08Å; Q1577-C1581 PolarHBondContact O-N 3.02Å; Q1577-C1581 PolarHBondContact O-SG 3.4Å; Q1577-C1581 VanDerWaalsContact O-SG 3.33Å
1578G89.8Confident87.8Confident40 Ų4057.4 Ų57.441%0.41229%0.288SS..Hα-helixtrans-58.7-35.5176.100000114.4L1574 I1576 H1582L1574-G1578 PolarHBondContact O-N 2.9Å; I1576-G1578 VanDerWaalsContact C-N 3.3Å; I1576-G1578 PolarHBondContact O-N 3.06Å; G1578-H1582 WeakPolarHBondContact O-CB 3.18Å; G1578-H1582 PolarHBondContact O-N 3.15Å
1579K93.3Very high88.8Confident133 Ų13359.7 Ų59.758%0.57829%0.285SS*.Hα-helixtrans-64.1-43.7172.5-74.7175.4177.2-172.60111.8K1575 I1576 Q1577 H1582 F1583K1575-K1579 WeakPolarHBondContact O-CG 3.03Å; K1575-K1579 PolarHBondContact O-N 3.15Å; I1576-K1579 WeakPolarHBondContact O-CB 3.21Å; I1576-K1579 PolarHBondContact O-N 3.08Å; Q1577-K1579 VanDerWaalsContact C-N 3.32Å; Q1577-K1579 PolarHBondContact O-N 3.31Å; K1579-H1582 PolarHBondContact O-N 2.98Å; K1579-F1583 PolarHBondContact O-N 2.73Å
1580F93.7Very high89.4Confident37 Ų3765.2 Ų65.216%0.16230%0.302CS..Hα-helixtrans-72.3-38179.6-75.1-71.9000112.5F1553 I1554 I1576 Q1577 F1583 L1584F1553-F1580 HydrophobicContact CB-CB 4.24Å; F1553-F1580 HydrophobicContact CB-CD1 3.83Å; F1553-F1580 HydrophobicContact CB-CD2 3.61Å; F1553-F1580 HydrophobicContact CB-CE1 4.04Å; F1553-F1580 HydrophobicContact CB-CE2 3.82Å; F1553-F1580 HydrophobicContact CB-CG 3.62Å; F1553-F1580 HydrophobicContact CB-CZ 4.03Å; F1553-F1580 AromaticContact CD1-CD2 3.97Å; F1553-F1580 HydrophobicContact CD1-CD2 3.97Å; F1553-F1580 HydrophobicContact CD1-CE1 4.12Å; F1553-F1580 AromaticContact CD1-CE2 3.28Å; F1553-F1580 HydrophobicContact CD1-CE2 3.28Å; F1553-F1580 AromaticContact CD1-CZ 3.38Å; F1553-F1580 HydrophobicContact CD1-CZ 3.38Å; F1553-F1580 HydrophobicContact CD2-CD1 4.04Å; F1553-F1580 AromaticContact CD2-CE1 3.48Å; F1553-F1580 HydrophobicContact CD2-CE1 3.48Å; F1553-F1580 VanDerWaalsContact CD2-CE1 3.48Å; F1553-F1580 HydrophobicContact CD2-CE2 4.19Å; F1553-F1580 AromaticContact CD2-CZ 3.57Å; F1553-F1580 HydrophobicContact CD2-CZ 3.57Å; F1553-F1580 HydrophobicContact CE1-CE1 4.45Å; F1553-F1580 AromaticContact CE1-CE2 3.79Å; F1553-F1580 HydrophobicContact CE1-CE2 3.79Å; F1553-F1580 AromaticContact CE1-CZ 3.56Å; F1553-F1580 HydrophobicContact CE1-CZ 3.56Å; F1553-F1580 AromaticContact CE2-CE1 3.89Å; F1553-F1580 HydrophobicContact CE2-CE1 3.89Å; F1553-F1580 AromaticContact CE2-CZ 3.77Å; F1553-F1580 HydrophobicContact CE2-CZ 3.77Å; F1553-F1580 AromaticContact CG-CD1 3.97Å; F1553-F1580 HydrophobicContact CG-CD1 3.97Å; F1553-F1580 AromaticContact CG-CD2 3.89Å; F1553-F1580 HydrophobicContact CG-CD2 3.89Å; F1553-F1580 AromaticContact CG-CE1 3.63Å; F1553-F1580 HydrophobicContact CG-CE1 3.63Å; F1553-F1580 AromaticContact CG-CE2 3.52Å; F1553-F1580 HydrophobicContact CG-CE2 3.52Å; F1553-F1580 HydrophobicContact CG-CG 4.09Å; F1553-F1580 AromaticContact CG-CZ 3.39Å; F1553-F1580 HydrophobicContact CG-CZ 3.39Å; F1553-F1580 HydrophobicContact CZ-CE1 4.37Å; F1553-F1580 HydrophobicContact CZ-CE2 4.46Å; F1553-F1580 AromaticContact CZ-CZ 3.78Å; F1553-F1580 HydrophobicContact CZ-CZ 3.78Å; I1554-F1580 HydrophobicContact CD1-CB 4.41Å; I1554-F1580 HydrophobicContact CG1-CB 3.87Å; I1576-F1580 HydrophobicContact CG2-CD2 3.82Å; I1576-F1580 HydrophobicContact CG2-CE2 3.7Å; I1576-F1580 WeakPolarHBondContact O-CD2 3.11Å; I1576-F1580 PolarHBondContact O-N 3.4Å; Q1577-F1580 PolarHBondContact O-N 3.4Å; Q1577-F1580 VanDerWaalsContact O-N 3.08Å; F1580-F1583 PolarHBondContact O-N 3Å; F1580-L1584 WeakPolarHBondContact O-CB 3.37Å; F1580-L1584 PolarHBondContact O-N 3.44Å
1581C92.2Very high89.5Confident25 Ų2564.5 Ų64.517%0.16930%0.297CS..Hα-helixtrans-56.7-47.8168.3-700000111.6Q1577 F1583 L1584 L1585 Y1621Q1577-C1581 PolarHBondContact O-N 3.02Å; Q1577-C1581 PolarHBondContact O-SG 3.4Å; Q1577-C1581 VanDerWaalsContact O-SG 3.33Å; C1581-F1583 PolarHBondContact O-N 2.99Å; C1581-L1584 PolarHBondContact O-N 3.36Å; C1581-L1585 WeakPolarHBondContact O-CB 3.23Å; C1581-L1585 PolarHBondContact O-N 3.44Å; C1581-Y1621 WeakPolarHBondContact CB-OH 3.44Å; C1581-Y1621 WeakPolarHBondContact O-CE2 3.07Å
1582H91.8Very high89.4Confident123 Ų12362.8 Ų62.857%0.56928%0.283SS*.Hα-helixtrans-62.7-40.6175.8-179.491.7000112.5G1578 K1579 L1585 K1586G1578-H1582 WeakPolarHBondContact O-CB 3.18Å; G1578-H1582 PolarHBondContact O-N 3.15Å; K1579-H1582 PolarHBondContact O-N 2.98Å; H1582-L1585 PolarHBondContact O-N 2.96Å; H1582-K1586 WeakPolarHBondContact O-CB 3.28Å; H1582-K1586 PolarHBondContact O-N 3.09Å
1583F93.9Very high89Confident93 Ų9366.4 Ų66.441%0.40830%0.297SS..Hα-helixtrans-63.8-44.1175.9-173.4-78.2000111.6K1546 C1550 K1579 F1580 C1581 K1586 R1587K1546-F1583 HydrophobicContact CB-CE1 4.46Å; C1550-F1583 WeakPolarHBondContact SG-CD1 3.46Å; K1579-F1583 PolarHBondContact O-N 2.73Å; F1580-F1583 PolarHBondContact O-N 3Å; C1581-F1583 PolarHBondContact O-N 2.99Å; F1583-K1586 CarbonylContact O-C 2.87Å; F1583-K1586 PolarHBondContact O-N 3.39Å; F1583-R1587 WeakPolarHBondContact O-CB 3.4Å; F1583-R1587 PolarHBondContact O-N 2.97Å
1584L93.9Very high88.6Confident1 Ų170.7 Ų70.71%0.00532%0.319CS..Hα-helixtrans-62.3-44.3177.1-17762.5000111.3E1547 C1550 L1551 I1554 F1580 C1581 K1586 R1587 S1588 Y1621 I1624 L1625E1547-L1584 HydrophobicContact CB-CD1 3.89Å; E1547-L1584 HydrophobicContact CG-CD1 3.98Å; C1550-L1584 HydrophobicContact CB-CB 4.22Å; C1550-L1584 HydrophobicContact CB-CD1 4.37Å; L1551-L1584 HydrophobicContact CD2-CD2 3.93Å; I1554-L1584 HydrophobicContact CD1-CB 4.48Å; I1554-L1584 HydrophobicContact CD1-CD2 3.79Å; F1580-L1584 WeakPolarHBondContact O-CB 3.37Å; F1580-L1584 PolarHBondContact O-N 3.44Å; C1581-L1584 PolarHBondContact O-N 3.36Å; L1584-K1586 PolarHBondContact O-N 3.05Å; L1584-R1587 PolarHBondContact O-N 3.04Å; L1584-R1587 VanDerWaalsContact O-N 3.09Å; L1584-S1588 PolarHBondContact O-N 3.24Å; L1584-Y1621 HydrophobicContact CB-CE2 4.25Å; L1584-Y1621 HydrophobicContact CD2-CD2 4.38Å; L1584-Y1621 HydrophobicContact CD2-CE2 4.22Å; L1584-Y1621 HydrophobicContact CG-CD2 4.15Å; L1584-Y1621 HydrophobicContact CG-CE2 4.24Å; L1584-I1624 HydrophobicContact CD1-CG2 4.33Å; L1584-I1624 HydrophobicContact CD2-CG2 3.94Å; L1584-L1625 HydrophobicContact CD2-CD2 4.13Å
1585L90.7Very high87.8Confident40 Ų4072 Ų7221%0.20933%0.326CS..Hα-helixtrans-60.4-43.5172.8-178.864.4000111.9C1581 H1582 R1587 S1588 R1589 V1617 Y1621C1581-L1585 WeakPolarHBondContact O-CB 3.23Å; C1581-L1585 PolarHBondContact O-N 3.44Å; H1582-L1585 PolarHBondContact O-N 2.96Å; L1585-R1587 PolarHBondContact O-N 2.82Å; L1585-S1588 PolarHBondContact O-N 3.27Å; L1585-R1589 VanDerWaalsContact O-CG 3.3Å; L1585-R1589 WeakPolarHBondContact O-CG 3.39Å; L1585-R1589 PolarHBondContact O-N 3.08Å; L1585-V1617 HydrophobicContact CD1-CG1 3.75Å; L1585-Y1621 HydrophobicContact CB-CD2 3.79Å; L1585-Y1621 HydrophobicContact CB-CE2 3.85Å; L1585-Y1621 HydrophobicContact CB-CG 4.37Å; L1585-Y1621 HydrophobicContact CD1-CD1 4.17Å; L1585-Y1621 HydrophobicContact CD1-CD2 4.08Å; L1585-Y1621 HydrophobicContact CD1-CG 3.78Å
1586K89.6Confident86.7Confident139 Ų13967.3 Ų67.360%0.60431%0.307SS*.Hα-helixtrans-64.5-27.6174.8-172.5173.2-177.8174.30112.2H1582 F1583 L1584 R1590H1582-K1586 WeakPolarHBondContact O-CB 3.28Å; H1582-K1586 PolarHBondContact O-N 3.09Å; F1583-K1586 CarbonylContact O-C 2.87Å; F1583-K1586 PolarHBondContact O-N 3.39Å; L1584-K1586 PolarHBondContact O-N 3.05Å; K1586-R1590 PolarHBondContact O-N 3.29Å
1587R89Confident85.4Confident63 Ų6372.3 Ų72.324%0.23833%0.331CS..Hα-helixtrans-79.8-44.5176.6-161.6152.1-174.372.810.9112.3D1544 E1547 F1583 L1584 L1585 R1589 R1590 F1591D1544-R1587 VanDerWaalsContact CG-NE 3.3Å; D1544-R1587 VanDerWaalsContact CG-NH2 3.32Å; D1544-R1587 IonicContact OD1-CZ 3.86Å; D1544-R1587 IonicContact OD1-NE 2.68Å; D1544-R1587 PolarHBondContact OD1-NE 3.41Å; D1544-R1587 IonicContact OD1-NH2 3.42Å; D1544-R1587 PolarHBondContact OD1-NH2 2.77Å; D1544-R1587 IonicContact OD2-CZ 2.63Å; D1544-R1587 IonicContact OD2-NE 3.84Å; D1544-R1587 PolarHBondContact OD2-NE 3.43Å; D1544-R1587 IonicContact OD2-NH2 2.66Å; D1544-R1587 PolarHBondContact OD2-NH2 3.17Å; E1547-R1587 HydrophobicContact CG-CB 4.25Å; E1547-R1587 HydrophobicContact CG-CG 3.74Å; E1547-R1587 WeakPolarHBondContact OE1-CG 3.45Å; F1583-R1587 WeakPolarHBondContact O-CB 3.4Å; F1583-R1587 PolarHBondContact O-N 2.97Å; L1584-R1587 PolarHBondContact O-N 3.04Å; L1584-R1587 VanDerWaalsContact O-N 3.09Å; L1585-R1587 PolarHBondContact O-N 2.82Å; R1587-R1589 VanDerWaalsContact C-N 3.27Å; R1587-R1589 PolarHBondContact O-N 3.28Å; R1587-R1590 WeakPolarHBondContact O-CA 3.27Å; R1587-R1590 PolarHBondContact O-N 3.1Å; R1587-F1591 PolarHBondContact O-N 2.91Å
1588S88.2Confident83.7Confident0 Ų075 Ų750%035%0.352CS..Hα-helixtrans-56-39.5168.5-72.10000112.6L1584 L1585 R1590 F1591 L1592 R1620L1584-S1588 PolarHBondContact O-N 3.24Å; L1585-S1588 PolarHBondContact O-N 3.27Å; S1588-R1590 VanDerWaalsContact C-N 3.31Å; S1588-R1590 PolarHBondContact O-N 3.42Å; S1588-F1591 PolarHBondContact O-N 3.32Å; S1588-L1592 PolarHBondContact O-N 3.49Å; S1588-L1592 VanDerWaalsContact O-N 3.1Å; S1588-R1620 PolarHBondContact OG-NH1 3.01Å
1589R86.4Confident81.8Confident124 Ų12476.6 Ų76.647%0.46836%0.357SS..Hα-helixtrans-58-38.4170.9-76.7172.5-178-155.9-5.1113.5L1585 R1587 R1593 V1617L1585-R1589 VanDerWaalsContact O-CG 3.3Å; L1585-R1589 WeakPolarHBondContact O-CG 3.39Å; L1585-R1589 PolarHBondContact O-N 3.08Å; R1587-R1589 VanDerWaalsContact C-N 3.27Å; R1587-R1589 PolarHBondContact O-N 3.28Å; R1589-R1593 VanDerWaalsContact O-CG 3.26Å; R1589-R1593 WeakPolarHBondContact O-CG 3.47Å; R1589-R1593 PolarHBondContact O-N 2.94Å; R1589-V1617 HydrophobicContact CB-CG2 4.25Å; R1589-V1617 HydrophobicContact CG-CB 4.16Å; R1589-V1617 HydrophobicContact CG-CG1 3.38Å; R1589-V1617 HydrophobicContact CG-CG2 3.65Å
1590R86.1Confident79.4Confident162 Ų16276.5 Ų76.561%0.61136%0.359SS*.Hα-helixtrans-78-36.5178.4-173.6172.3179166.10.8112.1K1586 R1587 S1588 L1594K1586-R1590 PolarHBondContact O-N 3.29Å; R1587-R1590 WeakPolarHBondContact O-CA 3.27Å; R1587-R1590 PolarHBondContact O-N 3.1Å; S1588-R1590 VanDerWaalsContact C-N 3.31Å; S1588-R1590 PolarHBondContact O-N 3.42Å; R1590-L1594 HydrophobicContact CG-CD1 4.09Å; R1590-L1594 WeakPolarHBondContact O-CG 3.48Å; R1590-L1594 PolarHBondContact O-N 2.75Å; R1590-L1594 VanDerWaalsContact O-N 3.09Å
1591F84.9Confident76.9Confident47 Ų4780 Ų8021%0.20639%0.388CS..Hα-helixtrans-62.1-49.7178.1-177.3-93.8000111.6Q1542 R1587 S1588 R1593 L1594 I1595 R1620Q1542-F1591 HydrophobicContact CB-CE2 4.21Å; Q1542-F1591 HydrophobicContact CB-CZ 3.99Å; R1587-F1591 PolarHBondContact O-N 2.91Å; S1588-F1591 PolarHBondContact O-N 3.32Å; F1591-R1593 PolarHBondContact O-N 2.84Å; F1591-L1594 PolarHBondContact O-N 2.86Å; F1591-I1595 HydrophobicContact CD1-CD1 3.84Å; F1591-I1595 HydrophobicContact CE1-CD1 3.33Å; F1591-I1595 HydrophobicContact CE1-CG1 4.43Å; F1591-I1595 HydrophobicContact CZ-CD1 3.85Å; F1591-I1595 PolarHBondContact O-N 2.94Å; F1591-I1595 VanDerWaalsContact O-N 3.12Å; F1591-R1620 VanDerWaalsContact CD1-NE 3.25Å
1592L82.2Confident74.2Confident18 Ų1884.5 Ų84.59%0.09441%0.406CS..Hα-helixtrans-67.4-35.3179.5-72.4164.7000113.1S1588 I1595 N1596 L1616 V1617 R1620S1588-L1592 PolarHBondContact O-N 3.49Å; S1588-L1592 VanDerWaalsContact O-N 3.1Å; L1592-I1595 PolarHBondContact O-N 3.26Å; L1592-N1596 PolarHBondContact O-N 3.33Å; L1592-N1596 PolarHBondContact O-OD1 2.84Å; L1592-L1616 HydrophobicContact CD1-CB 3.98Å; L1592-L1616 WeakPolarHBondContact CD1-O 3.46Å; L1592-L1616 HydrophobicContact CD2-CB 4.46Å; L1592-V1617 HydrophobicContact CB-CG2 4.5Å; L1592-V1617 HydrophobicContact CD1-CB 4.36Å; L1592-V1617 HydrophobicContact CD1-CG2 3.66Å; L1592-R1620 HydrophobicContact CD1-CB 4.08Å
1593R80.1Confident71.4Confident133 Ų13387.9 Ų87.950%0.50242%0.419SS..Hα-helixtrans-59.2-48.4170.6-77.8177-177.1-165.8-2.8112.4R1589 F1591 I1595 N1596 E1597 N1613R1589-R1593 VanDerWaalsContact O-CG 3.26Å; R1589-R1593 WeakPolarHBondContact O-CG 3.47Å; R1589-R1593 PolarHBondContact O-N 2.94Å; F1591-R1593 PolarHBondContact O-N 2.84Å; R1593-I1595 VanDerWaalsContact C-N 3.27Å; R1593-I1595 PolarHBondContact O-N 3.48Å; R1593-N1596 PolarHBondContact O-N 2.81Å; R1593-N1596 VanDerWaalsContact O-N 3.13Å; R1593-E1597 WeakPolarHBondContact O-CB 3.09Å; R1593-E1597 VanDerWaalsContact O-CG 3.23Å; R1593-E1597 WeakPolarHBondContact O-CG 3.42Å; R1593-E1597 PolarHBondContact O-N 3.05Å; R1593-N1613 PolarHBondContact N-OD1 3.27Å
1594L77.9Confident68.6Low89 Ų8990 Ų9047%0.46643%0.434SS..Hα-helixtrans-62.3-33.1178.6-71.8166000112.6R1590 F1591 S1598R1590-L1594 HydrophobicContact CG-CD1 4.09Å; R1590-L1594 WeakPolarHBondContact O-CG 3.48Å; R1590-L1594 PolarHBondContact O-N 2.75Å; R1590-L1594 VanDerWaalsContact O-N 3.09Å; F1591-L1594 PolarHBondContact O-N 2.86Å; L1594-S1598 PolarHBondContact O-N 3.22Å; L1594-S1598 VanDerWaalsContact O-N 3.13Å; L1594-S1598 PolarHBondContact O-OG 2.88Å
1595I72.4Confident65.8Low70 Ų7097 Ų9736%0.35947%0.471SS..Hα-helixtrans-65.1-51.2171.7-71.5174.6000110.2F1591 L1592 R1593 E1597 S1598 S1599F1591-I1595 HydrophobicContact CD1-CD1 3.84Å; F1591-I1595 HydrophobicContact CE1-CD1 3.33Å; F1591-I1595 HydrophobicContact CE1-CG1 4.43Å; F1591-I1595 HydrophobicContact CZ-CD1 3.85Å; F1591-I1595 PolarHBondContact O-N 2.94Å; F1591-I1595 VanDerWaalsContact O-N 3.12Å; L1592-I1595 PolarHBondContact O-N 3.26Å; R1593-I1595 VanDerWaalsContact C-N 3.27Å; R1593-I1595 PolarHBondContact O-N 3.48Å; I1595-E1597 PolarHBondContact O-N 2.96Å; I1595-S1598 WeakPolarHBondContact O-CA 3.33Å; I1595-S1598 PolarHBondContact O-N 2.88Å; I1595-S1598 PolarHBondContact O-OG 3.47Å; I1595-S1599 PolarHBondContact O-N 2.98Å; I1595-S1599 PolarHBondContact O-OG 3.37Å; I1595-S1599 VanDerWaalsContact O-OG 3.08Å
1596N65.6Low63.4Low42 Ų42103.4 Ų103.423%0.22550%0.5CS..Hα-helixtrans-63.9-40.6-179.7-72.826.6000112.5L1592 R1593 S1598 S1599 E1600 N1613L1592-N1596 PolarHBondContact O-N 3.33Å; L1592-N1596 PolarHBondContact O-OD1 2.84Å; R1593-N1596 PolarHBondContact O-N 2.81Å; R1593-N1596 VanDerWaalsContact O-N 3.13Å; N1596-S1598 PolarHBondContact O-N 3.19Å; N1596-S1599 WeakPolarHBondContact O-CA 3.32Å; N1596-S1599 WeakPolarHBondContact O-CB 3.32Å; N1596-S1599 PolarHBondContact O-N 2.98Å; N1596-E1600 PolarHBondContact O-N 3.01Å; N1596-N1613 PolarHBondContact ND2-ND2 3.28Å; N1596-N1613 VanDerWaalsContact ND2-ND2 3.15Å
1597E61.8Low61Low112 Ų112106.6 Ų106.652%0.52351%0.508SS..Hα-helixtrans-58.7-32172.7-72162-155.100111.8R1593 I1595R1593-E1597 WeakPolarHBondContact O-CB 3.09Å; R1593-E1597 VanDerWaalsContact O-CG 3.23Å; R1593-E1597 WeakPolarHBondContact O-CG 3.42Å; R1593-E1597 PolarHBondContact O-N 3.05Å; I1595-E1597 PolarHBondContact O-N 2.96Å
1598S54.7Low58.8Low84 Ų84106.1 Ų106.159%0.58752%0.515SS*.Hα-helixtrans-78.2-24172.174.60000114L1594 I1595 N1596L1594-S1598 PolarHBondContact O-N 3.22Å; L1594-S1598 VanDerWaalsContact O-N 3.13Å; L1594-S1598 PolarHBondContact O-OG 2.88Å; I1595-S1598 WeakPolarHBondContact O-CA 3.33Å; I1595-S1598 PolarHBondContact O-N 2.88Å; I1595-S1598 PolarHBondContact O-OG 3.47Å; N1596-S1598 PolarHBondContact O-N 3.19Å
1599S49.1Very low57Low74 Ų74108.9 Ų108.952%0.51753%0.533SS..Hα-helixtrans-83.6-27.4179.1-57.40000113.8I1595 N1596 S1601 Q1602I1595-S1599 PolarHBondContact O-N 2.98Å; I1595-S1599 PolarHBondContact O-OG 3.37Å; I1595-S1599 VanDerWaalsContact O-OG 3.08Å; N1596-S1599 WeakPolarHBondContact O-CA 3.32Å; N1596-S1599 WeakPolarHBondContact O-CB 3.32Å; N1596-S1599 PolarHBondContact O-N 2.98Å; S1599-S1601 PolarHBondContact O-N 3.17Å; S1599-Q1602 PolarHBondContact O-N 3.36Å
1600E43Very low55.4Low131 Ų131108 Ų10861%0.61254%0.537SS*.THydrogen-bonded Turntrans-65.62179.6-76.4-178.6157.100114.4N1596 Q1602N1596-E1600 PolarHBondContact O-N 3.01Å; E1600-Q1602 PolarHBondContact O-N 3.49Å
1601S42Very low53.8Low110 Ų110105.5 Ų105.577%0.76953%0.533SS*.THydrogen-bonded Turntrans-75.4-3169.9-64.70000114.3S1599S1599-S1601 PolarHBondContact O-N 3.17Å
1602Q34Very low52.3Low119 Ų119107.8 Ų107.856%0.55655%0.547SS*.SBendtrans-121.7144.9167.8-63.2-165.2-1.300111.2F1194 S1599 E1600F1194-Q1602 VanDerWaalsContact CE1-NE2 3.3Å; S1599-Q1602 PolarHBondContact O-N 3.36Å; E1600-Q1602 PolarHBondContact O-N 3.49Å
1603K34.8Very low51.2Low195 Ų195107.7 Ų107.785%0.84855%0.546SS*.  trans-85.9139.5-159.4-88.6-174.6174-177.70114.7
1604L34Very low50.2Low136 Ų136105.9 Ų105.971%0.71255%0.55SS*.  trans53120.1156.5-76.979.4000115.3
1605D36.1Very low49.5Very low148 Ų148106.9 Ų106.979%0.79156%0.555SS**  -143.8172.678.1-140.5-25.9000115.1R1607D1605-R1607 PolarHBondContact O-N 2.93Å
1606H39Very low49.5Very low175 Ų175107 Ų10781%0.8156%0.556SS**  trans-74.193.7-168.3-75.8-92.2000114.6
1607R39.4Very low49.7Very low206 Ų206105.2 Ų105.278%0.77755%0.546SS*.  trans-143.8139.7154.5-155.4170.5-170.6162.55.7111.7D1605 P1609D1605-R1607 PolarHBondContact O-N 2.93Å; R1607-P1609 WeakPolarHBondContact O-CD 3.45Å
1608S43.5Very low50.1Low54 Ų54103.4 Ų103.438%0.37854%0.544SS..  trans-57.4115.4-175.5177.90000112N1610 E1611S1608-N1610 PolarHBondContact O-N 3.43Å; S1608-N1610 VanDerWaalsContact O-N 3.09Å; S1608-E1611 PolarHBondContact O-N 3.21Å; S1608-E1611 VanDerWaalsContact O-N 3.1Å
1609P49.2Very low51.2Low58 Ų58103.5 Ų103.538%0.37754%0.538SS..Hα-helixtrans-66.6-14.6-178.225.3-33.3000112.8R1607 N1613R1607-P1609 WeakPolarHBondContact O-CD 3.45Å; P1609-N1613 WeakPolarHBondContact O-CB 3.35Å; P1609-N1613 PolarHBondContact O-N 2.77Å; P1609-N1613 PolarHBondContact O-ND2 3.09Å
1610N53Low53Low104 Ų104100.6 Ų100.656%0.55652%0.516SS*.Hα-helixtrans-75.5-31.9174-76.8-49.6000113.3S1608 T1614S1608-N1610 PolarHBondContact O-N 3.43Å; S1608-N1610 VanDerWaalsContact O-N 3.09Å; N1610-T1614 WeakPolarHBondContact O-CB 3.49Å; N1610-T1614 PolarHBondContact O-N 3.06Å; N1610-T1614 PolarHBondContact O-OG1 3.06Å
1611E52.4Low55.3Low111 Ų11196.7 Ų96.752%0.51950%0.496SS..Hα-helixtrans-73.2-50.1-179.7-67.8-175.715600111.3S1608 N1613 T1614 I1615S1608-E1611 PolarHBondContact O-N 3.21Å; S1608-E1611 VanDerWaalsContact O-N 3.1Å; E1611-N1613 VanDerWaalsContact C-N 3.33Å; E1611-N1613 PolarHBondContact O-N 3.06Å; E1611-T1614 WeakPolarHBondContact O-CA 3.44Å; E1611-T1614 WeakPolarHBondContact O-CB 3.33Å; E1611-T1614 PolarHBondContact O-N 3.08Å; E1611-I1615 PolarHBondContact O-N 3.34Å; E1611-I1615 VanDerWaalsContact O-N 3.08Å
1612L53.3Low57.4Low95 Ų9592.6 Ų92.650%0.49747%0.471SS..Hα-helixtrans-62.5-41.2-179.2-169.963.4000111.4T1614 I1615 L1616L1612-T1614 VanDerWaalsContact C-N 3.26Å; L1612-T1614 PolarHBondContact O-N 2.81Å; L1612-I1615 PolarHBondContact O-N 2.62Å; L1612-L1616 HydrophobicContact CD1-CD1 3.66Å; L1612-L1616 HydrophobicContact CG-CD1 3.87Å; L1612-L1616 VanDerWaalsContact O-CD1 3.26Å; L1612-L1616 WeakPolarHBondContact O-CD1 3.35Å; L1612-L1616 PolarHBondContact O-N 3.49Å
1613N59.8Low59.9Low15 Ų1590.4 Ų90.48%0.0846%0.461CS..Hα-helixtrans-56.8-38.5169.4-94.7-67.5000112.6R1593 N1596 P1609 E1611 I1615 V1617R1593-N1613 PolarHBondContact N-OD1 3.27Å; N1596-N1613 PolarHBondContact ND2-ND2 3.28Å; N1596-N1613 VanDerWaalsContact ND2-ND2 3.15Å; P1609-N1613 WeakPolarHBondContact O-CB 3.35Å; P1609-N1613 PolarHBondContact O-N 2.77Å; P1609-N1613 PolarHBondContact O-ND2 3.09Å; E1611-N1613 VanDerWaalsContact C-N 3.33Å; E1611-N1613 PolarHBondContact O-N 3.06Å; N1613-I1615 VanDerWaalsContact C-N 3.3Å; N1613-I1615 PolarHBondContact O-N 3.19Å; N1613-V1617 VanDerWaalsContact O-CB 3.24Å; N1613-V1617 WeakPolarHBondContact O-CB 3.44Å; N1613-V1617 WeakPolarHBondContact O-CG2 3.11Å; N1613-V1617 PolarHBondContact O-N 2.9Å
1614T60.2Low62.6Low95 Ų9581.1 Ų81.158%0.58342%0.42SS*.Hα-helixtrans-71.5-25.6-179.5-600000112.3N1610 E1611 L1612 P1618N1610-T1614 WeakPolarHBondContact O-CB 3.49Å; N1610-T1614 PolarHBondContact O-N 3.06Å; N1610-T1614 PolarHBondContact O-OG1 3.06Å; E1611-T1614 WeakPolarHBondContact O-CA 3.44Å; E1611-T1614 WeakPolarHBondContact O-CB 3.33Å; E1611-T1614 PolarHBondContact O-N 3.08Å; L1612-T1614 VanDerWaalsContact C-N 3.26Å; L1612-T1614 PolarHBondContact O-N 2.81Å; T1614-P1618 WeakPolarHBondContact O-CD 3.41Å
1615I62.2Low65.2Low111 Ų11176.9 Ų76.957%0.56940%0.398SS*.Hα-helixtrans-83.2-43.2177.5-63.7167.8000112.2E1611 L1612 N1613 V1617 P1618E1611-I1615 PolarHBondContact O-N 3.34Å; E1611-I1615 VanDerWaalsContact O-N 3.08Å; L1612-I1615 PolarHBondContact O-N 2.62Å; N1613-I1615 VanDerWaalsContact C-N 3.3Å; N1613-I1615 PolarHBondContact O-N 3.19Å; I1615-V1617 VanDerWaalsContact C-N 3.32Å; I1615-V1617 PolarHBondContact O-N 3.45Å; I1615-P1618 WeakPolarHBondContact O-CD 3.25Å
1616L73Confident67.6Low73 Ų7375.7 Ų75.738%0.38239%0.391SS..Hα-helixtrans-75.6-18.2179.3-81.284000113.7L1592 L1612 D1619 R1620L1592-L1616 HydrophobicContact CD1-CB 3.98Å; L1592-L1616 WeakPolarHBondContact CD1-O 3.46Å; L1592-L1616 HydrophobicContact CD2-CB 4.46Å; L1612-L1616 HydrophobicContact CD1-CD1 3.66Å; L1612-L1616 HydrophobicContact CG-CD1 3.87Å; L1612-L1616 VanDerWaalsContact O-CD1 3.26Å; L1612-L1616 WeakPolarHBondContact O-CD1 3.35Å; L1612-L1616 PolarHBondContact O-N 3.49Å; L1616-D1619 PolarHBondContact O-N 3.18Å; L1616-R1620 PolarHBondContact O-N 2.88Å
1617V70.2Confident70Confident4 Ų468.7 Ų68.72%0.02436%0.359CS..Hα-helixtrans-66.9-49.1-178.7151.10000113.9L1585 R1589 L1592 N1613 I1615 D1619 Y1621L1585-V1617 HydrophobicContact CD1-CG1 3.75Å; R1589-V1617 HydrophobicContact CB-CG2 4.25Å; R1589-V1617 HydrophobicContact CG-CB 4.16Å; R1589-V1617 HydrophobicContact CG-CG1 3.38Å; R1589-V1617 HydrophobicContact CG-CG2 3.65Å; L1592-V1617 HydrophobicContact CB-CG2 4.5Å; L1592-V1617 HydrophobicContact CD1-CB 4.36Å; L1592-V1617 HydrophobicContact CD1-CG2 3.66Å; N1613-V1617 VanDerWaalsContact O-CB 3.24Å; N1613-V1617 WeakPolarHBondContact O-CB 3.44Å; N1613-V1617 WeakPolarHBondContact O-CG2 3.11Å; N1613-V1617 PolarHBondContact O-N 2.9Å; I1615-V1617 VanDerWaalsContact C-N 3.32Å; I1615-V1617 PolarHBondContact O-N 3.45Å; V1617-D1619 PolarHBondContact O-N 2.91Å; V1617-Y1621 VanDerWaalsContact O-CB 3.27Å; V1617-Y1621 WeakPolarHBondContact O-CB 3.48Å; V1617-Y1621 PolarHBondContact O-N 3.27Å; V1617-Y1621 VanDerWaalsContact O-N 3.14Å
1618P69.5Low72.4Confident74 Ų7460.2 Ų60.248%0.48133%0.329SS..Hα-helixtrans-57.8-35.9170.4-26.335.3000112.4T1614 I1615 G1622T1614-P1618 WeakPolarHBondContact O-CD 3.41Å; I1615-P1618 WeakPolarHBondContact O-CD 3.25Å; P1618-G1622 PolarHBondContact O-N 3.31Å
1619D78.6Confident74.4Confident86 Ų8660.8 Ų60.846%0.4634%0.337SS..Hα-helixtrans-67.4-56.6-179.8-176.431.1000112.1L1616 V1617 Y1621 G1622 Q1623L1616-D1619 PolarHBondContact O-N 3.18Å; V1617-D1619 PolarHBondContact O-N 2.91Å; D1619-Y1621 VanDerWaalsContact C-N 3.26Å; D1619-Y1621 PolarHBondContact O-N 3.44Å; D1619-G1622 CarbonylContact O-C 3.59Å; D1619-G1622 WeakPolarHBondContact O-CA 3.43Å; D1619-G1622 PolarHBondContact O-N 2.88Å; D1619-Q1623 WeakPolarHBondContact O-CG 3.49Å; D1619-Q1623 PolarHBondContact O-N 2.71Å; D1619-Q1623 PolarHBondContact OD1-NE2 2.85Å; D1619-Q1623 PolarHBondContact OD2-NE2 2.93Å
1620R87Confident76.2Confident12 Ų1261.2 Ų61.25%0.04533%0.334CS..Hα-helixtrans-57.6-39.5175.4-176.1179.3-177.4-94.56112.1L1541 E1547 S1588 F1591 L1592 L1616 I1624L1541-R1620 PolarHBondContact O-NH2 2.8Å; E1547-R1620 IonicContact OE1-CZ 2.64Å; E1547-R1620 IonicContact OE1-NH1 3.94Å; E1547-R1620 PolarHBondContact OE1-NH1 2.71Å; E1547-R1620 IonicContact OE1-NH2 3.57Å; E1547-R1620 IonicContact OE2-CZ 3.67Å; E1547-R1620 IonicContact OE2-NH1 2.69Å; E1547-R1620 PolarHBondContact OE2-NH1 3.18Å; E1547-R1620 IonicContact OE2-NH2 2.71Å; E1547-R1620 PolarHBondContact OE2-NH2 3.19Å; S1588-R1620 PolarHBondContact OG-NH1 3.01Å; F1591-R1620 VanDerWaalsContact CD1-NE 3.25Å; L1592-R1620 HydrophobicContact CD1-CB 4.08Å; L1616-R1620 PolarHBondContact O-N 2.88Å; R1620-I1624 HydrophobicContact CG-CD1 3.91Å; R1620-I1624 WeakPolarHBondContact O-CB 3.21Å; R1620-I1624 VanDerWaalsContact O-CG1 3.24Å; R1620-I1624 WeakPolarHBondContact O-CG1 3.47Å; R1620-I1624 PolarHBondContact O-N 3.15Å; R1620-I1624 VanDerWaalsContact O-N 3.09Å
1621Y90Very high78Confident49 Ų4956.3 Ų56.319%0.19231%0.308CS..Hα-helixtrans-65.3-40.9175.9172.7-98.2000112.2C1581 L1584 L1585 V1617 D1619 L1625C1581-Y1621 WeakPolarHBondContact CB-OH 3.44Å; C1581-Y1621 WeakPolarHBondContact O-CE2 3.07Å; L1584-Y1621 HydrophobicContact CB-CE2 4.25Å; L1584-Y1621 HydrophobicContact CD2-CD2 4.38Å; L1584-Y1621 HydrophobicContact CD2-CE2 4.22Å; L1584-Y1621 HydrophobicContact CG-CD2 4.15Å; L1584-Y1621 HydrophobicContact CG-CE2 4.24Å; L1585-Y1621 HydrophobicContact CB-CD2 3.79Å; L1585-Y1621 HydrophobicContact CB-CE2 3.85Å; L1585-Y1621 HydrophobicContact CB-CG 4.37Å; L1585-Y1621 HydrophobicContact CD1-CD1 4.17Å; L1585-Y1621 HydrophobicContact CD1-CD2 4.08Å; L1585-Y1621 HydrophobicContact CD1-CG 3.78Å; V1617-Y1621 VanDerWaalsContact O-CB 3.27Å; V1617-Y1621 WeakPolarHBondContact O-CB 3.48Å; V1617-Y1621 PolarHBondContact O-N 3.27Å; V1617-Y1621 VanDerWaalsContact O-N 3.14Å; D1619-Y1621 VanDerWaalsContact C-N 3.26Å; D1619-Y1621 PolarHBondContact O-N 3.44Å; Y1621-L1625 HydrophobicContact CD1-CD1 4.28Å; Y1621-L1625 HydrophobicContact CE1-CD1 3.61Å; Y1621-L1625 HydrophobicContact CE2-CD1 4.02Å; Y1621-L1625 VanDerWaalsContact CZ-CD1 3.46Å; Y1621-L1625 WeakPolarHBondContact O-CG 3.09Å; Y1621-L1625 PolarHBondContact O-N 3.3Å
1622G86.7Confident79.8Confident25 Ų2554.8 Ų54.826%0.25830%0.299SS..Hα-helixtrans-63.7-50.7175.100000112.1P1618 D1619 I1624 L1625 L1626P1618-G1622 PolarHBondContact O-N 3.31Å; D1619-G1622 CarbonylContact O-C 3.59Å; D1619-G1622 WeakPolarHBondContact O-CA 3.43Å; D1619-G1622 PolarHBondContact O-N 2.88Å; G1622-I1624 VanDerWaalsContact C-N 3.35Å; G1622-I1624 PolarHBondContact O-N 3.47Å; G1622-L1625 CarbonylContact O-C 3.53Å; G1622-L1625 PolarHBondContact O-N 2.81Å; G1622-L1626 WeakPolarHBondContact O-CG 3.47Å; G1622-L1626 PolarHBondContact O-N 3.2Å
1623Q86.2Confident81.4Confident72 Ų7253.9 Ų53.934%0.33629%0.291SS..Hα-helixtrans-52.2-50.8175.2-68.6169.920.600111.4L1541 D1619 L1625 L1626 E1627L1541-Q1623 HydrophobicContact CD2-CB 4.15Å; D1619-Q1623 WeakPolarHBondContact O-CG 3.49Å; D1619-Q1623 PolarHBondContact O-N 2.71Å; D1619-Q1623 PolarHBondContact OD1-NE2 2.85Å; D1619-Q1623 PolarHBondContact OD2-NE2 2.93Å; Q1623-L1625 PolarHBondContact O-N 2.72Å; Q1623-L1626 PolarHBondContact O-N 2.91Å; Q1623-L1626 VanDerWaalsContact O-N 3.14Å; Q1623-E1627 PolarHBondContact O-N 3.5Å
1624I90.9Very high82.6Confident0 Ų053.4 Ų53.40%029%0.289CS..Hα-helixtrans-58.9-32178.2-73.8172000113L1541 L1543 L1551 L1584 R1620 G1622L1541-I1624 HydrophobicContact CD1-CG1 4.02Å; L1543-I1624 HydrophobicContact CD1-CD1 4.31Å; L1543-I1624 HydrophobicContact CD1-CG1 4.14Å; L1543-I1624 HydrophobicContact CD2-CG1 4.5Å; L1543-I1624 HydrophobicContact CD2-CG2 4.15Å; L1543-I1624 HydrophobicContact CG-CD1 4.24Å; L1543-I1624 HydrophobicContact CG-CG1 4.43Å; L1551-I1624 HydrophobicContact CD1-CG2 4.24Å; L1551-I1624 HydrophobicContact CD2-CG2 3.86Å; L1551-I1624 HydrophobicContact CG-CG2 4.43Å; L1584-I1624 HydrophobicContact CD1-CG2 4.33Å; L1584-I1624 HydrophobicContact CD2-CG2 3.94Å; R1620-I1624 HydrophobicContact CG-CD1 3.91Å; R1620-I1624 WeakPolarHBondContact O-CB 3.21Å; R1620-I1624 VanDerWaalsContact O-CG1 3.24Å; R1620-I1624 WeakPolarHBondContact O-CG1 3.47Å; R1620-I1624 PolarHBondContact O-N 3.15Å; R1620-I1624 VanDerWaalsContact O-N 3.09Å; G1622-I1624 VanDerWaalsContact C-N 3.35Å; G1622-I1624 PolarHBondContact O-N 3.47Å
1625L89.4Confident84Confident48 Ų4848.9 Ų48.925%0.25126%0.261SS..Hα-helixtrans-85.7-27.8176.8-69.8-177.7000113.7L1551 I1554 L1584 Y1621 G1622 Q1623 E1627 L1628L1551-L1625 HydrophobicContact CD2-CD2 4.23Å; I1554-L1625 HydrophobicContact CD1-CD2 4.4Å; I1554-L1625 HydrophobicContact CG2-CD2 4.46Å; L1584-L1625 HydrophobicContact CD2-CD2 4.13Å; Y1621-L1625 HydrophobicContact CD1-CD1 4.28Å; Y1621-L1625 HydrophobicContact CE1-CD1 3.61Å; Y1621-L1625 HydrophobicContact CE2-CD1 4.02Å; Y1621-L1625 VanDerWaalsContact CZ-CD1 3.46Å; Y1621-L1625 WeakPolarHBondContact O-CG 3.09Å; Y1621-L1625 PolarHBondContact O-N 3.3Å; G1622-L1625 CarbonylContact O-C 3.53Å; G1622-L1625 PolarHBondContact O-N 2.81Å; Q1623-L1625 PolarHBondContact O-N 2.72Å; L1625-E1627 VanDerWaalsContact C-N 3.32Å; L1625-E1627 PolarHBondContact O-N 3.24Å; L1625-L1628 HydrophobicContact CD2-CD1 3.82Å; L1625-L1628 WeakPolarHBondContact O-CB 3.41Å; L1625-L1628 PolarHBondContact O-N 3.38Å
1626L87.4Confident85.2Confident123 Ų12348.3 Ų48.364%0.64426%0.255SS*.Hα-helixtrans-63.5-39.1176.4-75.5166.2000111.3G1622 Q1623 L1628 A1629G1622-L1626 WeakPolarHBondContact O-CG 3.47Å; G1622-L1626 PolarHBondContact O-N 3.2Å; Q1623-L1626 PolarHBondContact O-N 2.91Å; Q1623-L1626 VanDerWaalsContact O-N 3.14Å; L1626-L1628 PolarHBondContact O-N 2.89Å; L1626-L1628 VanDerWaalsContact O-N 3.09Å; L1626-A1629 VanDerWaalsContact O-CB 3.31Å; L1626-A1629 WeakPolarHBondContact O-CB 3.45Å; L1626-A1629 PolarHBondContact O-N 3.43Å
1627E89.2Confident85.8Confident28 Ų2847.2 Ų47.213%0.13125%0.248CC..Hα-helixtrans-59.6-21.5176.5-61.4-52.5120.600114L1534 I1537 F1538 L1541 Q1623 L1625 A1629 E1630 I1631L1534-E1627 HydrophobicContact CD1-CB 4.35Å; I1537-E1627 WeakPolarHBondContact CD1-OE2 3.41Å; I1537-E1627 VanDerWaalsContact CG2-CD 3.45Å; I1537-E1627 HydrophobicContact CG2-CG 3.83Å; F1538-E1627 HydrophobicContact CE2-CB 3.59Å; F1538-E1627 HydrophobicContact CE2-CG 4.09Å; F1538-E1627 HydrophobicContact CZ-CB 3.77Å; F1538-E1627 HydrophobicContact CZ-CG 4.43Å; L1541-E1627 HydrophobicContact CD1-CG 4.41Å; Q1623-E1627 PolarHBondContact O-N 3.5Å; L1625-E1627 VanDerWaalsContact C-N 3.32Å; L1625-E1627 PolarHBondContact O-N 3.24Å; E1627-A1629 PolarHBondContact O-N 3.47Å; E1627-E1630 PolarHBondContact O-N 3.43Å; E1627-I1631 PolarHBondContact O-N 3.01Å; E1627-I1631 VanDerWaalsContact O-N 3.07Å
1628L88.7Confident86.5Confident28 Ų2847.7 Ų47.715%0.14725%0.25CC..Hα-helixtrans-63.9-22.9174.1-64.7179.8000112.6L1420 L1551 I1554 V1555 L1625 L1626 I1631 K1632L1420-L1628 HydrophobicContact CD1-CD2 4.45Å; L1551-L1628 HydrophobicContact CB-CD2 4.49Å; L1551-L1628 HydrophobicContact CD2-CD1 4.14Å; L1551-L1628 HydrophobicContact CD2-CD2 4.15Å; L1551-L1628 HydrophobicContact CD2-CG 4.32Å; I1554-L1628 HydrophobicContact CG2-CD1 4.25Å; V1555-L1628 HydrophobicContact CG2-CD1 4.3Å; V1555-L1628 HydrophobicContact CG2-CD2 3.79Å; L1625-L1628 HydrophobicContact CD2-CD1 3.82Å; L1625-L1628 WeakPolarHBondContact O-CB 3.41Å; L1625-L1628 PolarHBondContact O-N 3.38Å; L1626-L1628 PolarHBondContact O-N 2.89Å; L1626-L1628 VanDerWaalsContact O-N 3.09Å; L1628-I1631 HydrophobicContact CD2-CD1 4.05Å; L1628-K1632 WeakPolarHBondContact O-CB 3.49Å; L1628-K1632 PolarHBondContact O-N 2.78Å
1629A86.6Confident87.3Confident66 Ų6644.8 Ų44.855%0.54523%0.23SC..Hα-helixtrans-69.6-40.7175.800000112.2L1626 E1627 K1632 F1633L1626-A1629 VanDerWaalsContact O-CB 3.31Å; L1626-A1629 WeakPolarHBondContact O-CB 3.45Å; L1626-A1629 PolarHBondContact O-N 3.43Å; E1627-A1629 PolarHBondContact O-N 3.47Å; A1629-K1632 WeakPolarHBondContact O-CB 3.3Å; A1629-K1632 PolarHBondContact O-N 2.9Å; A1629-F1633 PolarHBondContact O-N 2.93Å
1630E86.6Confident87.7Confident66 Ų6642.2 Ų42.231%0.30822%0.216SC..Hα-helixtrans-76.3-34.4176.8-72.7-70.1-175.600111.8K1530 L1534 E1627 K1632 F1633 L1634K1530-E1630 IonicContact NZ-OE1 2.62Å; K1530-E1630 PolarHBondContact NZ-OE1 3.48Å; K1530-E1630 IonicContact NZ-OE2 3.95Å; K1530-E1630 PolarHBondContact NZ-OE2 2.95Å; L1534-E1630 HydrophobicContact CD1-CB 3.43Å; L1534-E1630 VanDerWaalsContact CD1-CB 3.43Å; E1627-E1630 PolarHBondContact O-N 3.43Å; E1630-K1632 VanDerWaalsContact C-N 3.32Å; E1630-K1632 PolarHBondContact O-N 3.11Å; E1630-F1633 PolarHBondContact O-N 3.26Å; E1630-L1634 WeakPolarHBondContact O-CB 3.3Å; E1630-L1634 WeakPolarHBondContact O-CG 3.38Å; E1630-L1634 PolarHBondContact O-N 3.09Å
1631I90.3Very high87.6Confident1 Ų142.5 Ų42.51%0.00522%0.218CC..Hα-helixtrans-57.2-45.6167.2-74.4160.5000110.8E1416 L1419 L1420 I1423 L1534 F1538 E1627 L1628 F1633 L1634 A1635E1416-I1631 HydrophobicContact CB-CG2 3.99Å; E1416-I1631 HydrophobicContact CG-CG2 4.04Å; L1419-I1631 HydrophobicContact CD2-CG2 4.39Å; L1420-I1631 HydrophobicContact CD2-CD1 3.69Å; L1420-I1631 HydrophobicContact CG-CD1 4.14Å; L1420-I1631 HydrophobicContact CG-CG2 4.39Å; I1423-I1631 HydrophobicContact CD1-CD1 4.03Å; I1423-I1631 HydrophobicContact CD1-CG1 3.79Å; L1534-I1631 HydrophobicContact CD1-CG1 3.99Å; L1534-I1631 HydrophobicContact CD2-CD1 4.38Å; L1534-I1631 HydrophobicContact CD2-CG1 3.88Å; F1538-I1631 HydrophobicContact CE2-CD1 3.68Å; F1538-I1631 HydrophobicContact CZ-CD1 3.59Å; E1627-I1631 PolarHBondContact O-N 3.01Å; E1627-I1631 VanDerWaalsContact O-N 3.07Å; L1628-I1631 HydrophobicContact CD2-CD1 4.05Å; I1631-F1633 PolarHBondContact O-N 2.9Å; I1631-L1634 PolarHBondContact O-N 3.38Å; I1631-A1635 WeakPolarHBondContact O-CB 3.27Å; I1631-A1635 PolarHBondContact O-N 2.96Å
1632K89.2Confident87.4Confident80 Ų8040.2 Ų40.235%0.34821%0.209SC..Hα-helixtrans-61-41.1175171.7174.6178.8-1750112.5E1416 L1628 A1629 E1630 F1636E1416-K1632 VanDerWaalsContact OE1-CA 3.28Å; E1416-K1632 WeakPolarHBondContact OE1-CA 3.3Å; E1416-K1632 VanDerWaalsContact OE1-CB 3.24Å; E1416-K1632 WeakPolarHBondContact OE1-CB 3.26Å; E1416-K1632 VanDerWaalsContact OE1-CG 3.29Å; E1416-K1632 WeakPolarHBondContact OE1-CG 3.28Å; L1628-K1632 WeakPolarHBondContact O-CB 3.49Å; L1628-K1632 PolarHBondContact O-N 2.78Å; A1629-K1632 WeakPolarHBondContact O-CB 3.3Å; A1629-K1632 PolarHBondContact O-N 2.9Å; E1630-K1632 VanDerWaalsContact C-N 3.32Å; E1630-K1632 PolarHBondContact O-N 3.11Å; K1632-F1636 WeakPolarHBondContact O-CB 3.2Å; K1632-F1636 PolarHBondContact O-N 3.06Å
1633F87.2Confident87.5Confident75 Ų7539.5 Ų39.533%0.32920%0.199SC..Hα-helixtrans-63.7-50.9176.5177.2-106.8000111.9L1527 K1530 A1629 E1630 I1631 A1635 F1636 Q1637L1527-F1633 HydrophobicContact CD2-CD1 4.31Å; L1527-F1633 HydrophobicContact CD2-CE1 3.48Å; L1527-F1633 VanDerWaalsContact CD2-CE1 3.48Å; L1527-F1633 HydrophobicContact CD2-CZ 4.03Å; K1530-F1633 HydrophobicContact CD-CD1 3.83Å; K1530-F1633 HydrophobicContact CD-CE1 3.5Å; A1629-F1633 PolarHBondContact O-N 2.93Å; E1630-F1633 PolarHBondContact O-N 3.26Å; I1631-F1633 PolarHBondContact O-N 2.9Å; F1633-A1635 PolarHBondContact O-N 3.43Å; F1633-F1636 PolarHBondContact O-N 3.15Å; F1633-Q1637 HydrophobicContact CE1-CG 4.42Å; F1633-Q1637 HydrophobicContact CE2-CG 4.29Å; F1633-Q1637 HydrophobicContact CZ-CG 4.19Å; F1633-Q1637 VanDerWaalsContact O-CG 3.32Å; F1633-Q1637 WeakPolarHBondContact O-CG 3.3Å; F1633-Q1637 PolarHBondContact O-N 2.79Å; F1633-Q1637 VanDerWaalsContact O-N 3.08Å
1634L86.7Confident87.4Confident5 Ų540.6 Ų40.63%0.02621%0.206CC..Hα-helixtrans-62.6-40.3178.7-70.6168.6000112.1L1419 L1527 K1530 L1531 E1630 I1631 Q1637 L1638L1419-L1634 HydrophobicContact CD2-CB 3.52Å; L1419-L1634 HydrophobicContact CD2-CD1 4.39Å; L1527-L1634 HydrophobicContact CD2-CD2 4.12Å; K1530-L1634 HydrophobicContact CB-CD2 4.3Å; L1531-L1634 HydrophobicContact CB-CD1 4.38Å; L1531-L1634 HydrophobicContact CD1-CD1 4.03Å; E1630-L1634 WeakPolarHBondContact O-CB 3.3Å; E1630-L1634 WeakPolarHBondContact O-CG 3.38Å; E1630-L1634 PolarHBondContact O-N 3.09Å; I1631-L1634 PolarHBondContact O-N 3.38Å; L1634-Q1637 PolarHBondContact O-N 3.12Å; L1634-L1638 PolarHBondContact O-N 3.34Å
1635A89.2Confident87.1Confident0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-65.2-40.5176.100000112.9E1416 L1419 I1631 F1633 Q1637 L1638 E1639E1416-A1635 HydrophobicContact CB-CB 4.31Å; E1416-A1635 HydrophobicContact CG-CB 3.42Å; E1416-A1635 VanDerWaalsContact CG-CB 3.42Å; L1419-A1635 HydrophobicContact CD2-CB 4.48Å; I1631-A1635 WeakPolarHBondContact O-CB 3.27Å; I1631-A1635 PolarHBondContact O-N 2.96Å; F1633-A1635 PolarHBondContact O-N 3.43Å; A1635-Q1637 VanDerWaalsContact C-N 3.3Å; A1635-Q1637 PolarHBondContact O-N 3.39Å; A1635-L1638 PolarHBondContact O-N 2.7Å; A1635-E1639 WeakPolarHBondContact O-CG 3.42Å; A1635-E1639 PolarHBondContact O-N 2.87Å
1636F87.3Confident87Confident99 Ų9940.8 Ų40.843%0.43420%0.204SC..Hα-helixtrans-62.3-37173.2174.2-111.8000112.3K1632 F1633 E1639 N1640K1632-F1636 WeakPolarHBondContact O-CB 3.2Å; K1632-F1636 PolarHBondContact O-N 3.06Å; F1633-F1636 PolarHBondContact O-N 3.15Å; F1636-E1639 PolarHBondContact O-N 2.96Å; F1636-N1640 WeakPolarHBondContact CD1-ND2 3.26Å; F1636-N1640 WeakPolarHBondContact CE1-ND2 3.4Å; F1636-N1640 VanDerWaalsContact CZ-ND2 3.33Å; F1636-N1640 WeakPolarHBondContact CZ-ND2 3.29Å; F1636-N1640 VanDerWaalsContact O-CG 3.26Å; F1636-N1640 PolarHBondContact O-N 2.83Å; F1636-N1640 PolarHBondContact O-ND2 3.07Å
1637Q84.8Confident86.9Confident50 Ų5043.2 Ų43.223%0.23421%0.205CC..Hα-helixtrans-72.1-37177.3-63.8-72.55900112.4L1527 F1633 L1634 A1635 N1640 F1641L1527-Q1637 HydrophobicContact CD2-CB 4.26Å; L1527-Q1637 HydrophobicContact CD2-CG 3.91Å; F1633-Q1637 HydrophobicContact CE1-CG 4.42Å; F1633-Q1637 HydrophobicContact CE2-CG 4.29Å; F1633-Q1637 HydrophobicContact CZ-CG 4.19Å; F1633-Q1637 VanDerWaalsContact O-CG 3.32Å; F1633-Q1637 WeakPolarHBondContact O-CG 3.3Å; F1633-Q1637 PolarHBondContact O-N 2.79Å; F1633-Q1637 VanDerWaalsContact O-N 3.08Å; L1634-Q1637 PolarHBondContact O-N 3.12Å; A1635-Q1637 VanDerWaalsContact C-N 3.3Å; A1635-Q1637 PolarHBondContact O-N 3.39Å; Q1637-N1640 PolarHBondContact O-N 2.78Å; Q1637-N1640 PolarHBondContact OE1-ND2 3.28Å; Q1637-F1641 WeakPolarHBondContact O-CB 3.36Å; Q1637-F1641 PolarHBondContact O-N 2.64Å
1638L84.9Confident86.7Confident14 Ų1447.4 Ų47.47%0.07323%0.227CC..Hα-helixtrans-60.1-43.7169.3178.761.5000111.5L1509 L1510 L1634 A1635 F1641 L1642L1509-L1638 HydrophobicContact CD2-CD1 4.36Å; L1510-L1638 HydrophobicContact CD2-CD1 4.49Å; L1634-L1638 PolarHBondContact O-N 3.34Å; A1635-L1638 PolarHBondContact O-N 2.7Å; L1638-F1641 PolarHBondContact O-N 2.93Å; L1638-L1642 HydrophobicContact CD1-CD1 3.96Å; L1638-L1642 HydrophobicContact CD1-CG 4.23Å; L1638-L1642 HydrophobicContact CG-CD1 3.96Å; L1638-L1642 WeakPolarHBondContact O-CB 3.3Å; L1638-L1642 VanDerWaalsContact O-CG 3.26Å; L1638-L1642 WeakPolarHBondContact O-CG 3.35Å; L1638-L1642 PolarHBondContact O-N 2.67Å
1639E87.4Confident86.4Confident13 Ų1348.7 Ų48.76%0.06125%0.247CC..Hα-helixtrans-64-43.9174.7-74.7174-156.900113.3W1414 S1415 A1635 F1636 F1641 L1642 L1643 L1661 K1664 R1665W1414-E1639 HydrophobicContact CH2-CG 4.41Å; W1414-E1639 HydrophobicContact CZ2-CG 4.03Å; S1415-E1639 WeakPolarHBondContact CB-OE1 3.38Å; S1415-E1639 PolarHBondContact OG-OE1 3.27Å; A1635-E1639 WeakPolarHBondContact O-CG 3.42Å; A1635-E1639 PolarHBondContact O-N 2.87Å; F1636-E1639 PolarHBondContact O-N 2.96Å; E1639-F1641 VanDerWaalsContact C-N 3.31Å; E1639-F1641 PolarHBondContact O-N 3.45Å; E1639-L1642 PolarHBondContact O-N 2.86Å; E1639-L1643 VanDerWaalsContact O-CB 3.25Å; E1639-L1643 WeakPolarHBondContact O-CB 3.06Å; E1639-L1643 PolarHBondContact O-N 2.93Å; E1639-L1661 HydrophobicContact CB-CD2 4.44Å; E1639-L1661 HydrophobicContact CG-CD2 4.46Å; E1639-K1664 WeakPolarHBondContact OE1-CE 3.15Å; E1639-K1664 IonicContact OE1-NZ 2.86Å; E1639-K1664 PolarHBondContact OE1-NZ 3.23Å; E1639-K1664 WeakPolarHBondContact OE2-CD 3.43Å; E1639-K1664 IonicContact OE2-NZ 2.59Å; E1639-R1665 IonicContact OE2-NH2 3.98Å
1640N85.8Confident86.2Confident33 Ų3349 Ų4918%0.17624%0.236CC..Hα-helixtrans-57.2-48.9175.5-75.5-28.5000110.4F1636 Q1637 L1643 I1644 R1665F1636-N1640 WeakPolarHBondContact CD1-ND2 3.26Å; F1636-N1640 WeakPolarHBondContact CE1-ND2 3.4Å; F1636-N1640 VanDerWaalsContact CZ-ND2 3.33Å; F1636-N1640 WeakPolarHBondContact CZ-ND2 3.29Å; F1636-N1640 VanDerWaalsContact O-CG 3.26Å; F1636-N1640 PolarHBondContact O-N 2.83Å; F1636-N1640 PolarHBondContact O-ND2 3.07Å; Q1637-N1640 PolarHBondContact O-N 2.78Å; Q1637-N1640 PolarHBondContact OE1-ND2 3.28Å; N1640-L1643 PolarHBondContact O-N 2.91Å; N1640-I1644 WeakPolarHBondContact O-CD1 3.48Å; N1640-I1644 VanDerWaalsContact O-CG1 3.29Å; N1640-I1644 WeakPolarHBondContact O-CG1 3.25Å; N1640-I1644 PolarHBondContact O-N 2.78Å; N1640-R1665 VanDerWaalsContact OD1-CZ 3.26Å; N1640-R1665 PolarHBondContact OD1-NH1 3.49Å; N1640-R1665 PolarHBondContact OD1-NH2 2.65Å
1641F84.7Confident86.1Confident18 Ų1845.9 Ų45.98%0.07922%0.222CC..Hα-helixtrans-58.7-51.6178.9174.1-94.4000112L1374 L1513 Q1637 L1638 E1639 L1643 I1644 R1645L1374-F1641 HydrophobicContact CD1-CE1 3.89Å; L1374-F1641 HydrophobicContact CD1-CZ 4.31Å; L1513-F1641 HydrophobicContact CB-CD1 4.22Å; L1513-F1641 HydrophobicContact CB-CD2 3.94Å; L1513-F1641 HydrophobicContact CB-CE1 3.91Å; L1513-F1641 HydrophobicContact CB-CE2 3.6Å; L1513-F1641 HydrophobicContact CB-CG 4.26Å; L1513-F1641 HydrophobicContact CB-CZ 3.61Å; L1513-F1641 HydrophobicContact CD1-CD1 4.38Å; L1513-F1641 HydrophobicContact CD1-CE1 3.4Å; L1513-F1641 HydrophobicContact CD1-CE2 4.14Å; L1513-F1641 HydrophobicContact CD1-CZ 3.27Å; L1513-F1641 HydrophobicContact CD2-CE2 4.15Å; L1513-F1641 HydrophobicContact CD2-CZ 3.93Å; L1513-F1641 HydrophobicContact CG-CE1 4.18Å; L1513-F1641 HydrophobicContact CG-CE2 4.15Å; L1513-F1641 HydrophobicContact CG-CZ 3.76Å; L1513-F1641 WeakPolarHBondContact O-CD2 3.33Å; Q1637-F1641 WeakPolarHBondContact O-CB 3.36Å; Q1637-F1641 PolarHBondContact O-N 2.64Å; L1638-F1641 PolarHBondContact O-N 2.93Å; E1639-F1641 VanDerWaalsContact C-N 3.31Å; E1639-F1641 PolarHBondContact O-N 3.45Å; F1641-L1643 VanDerWaalsContact C-N 3.34Å; F1641-L1643 PolarHBondContact O-N 3.37Å; F1641-I1644 PolarHBondContact O-N 2.79Å; F1641-R1645 HydrophobicContact CE1-CG 3.76Å; F1641-R1645 HydrophobicContact CE2-CG 3.83Å; F1641-R1645 HydrophobicContact CZ-CG 3.27Å; F1641-R1645 PolarHBondContact O-N 3.46Å; F1641-R1645 VanDerWaalsContact O-N 3.11Å
1642L87.2Confident85.4Confident0 Ų049.1 Ų49.10%024%0.243CC..Hα-helixtrans-63.6-39.2-179.8-68.3166.9000111.7L1377 L1381 W1414 L1638 E1639 I1644 R1645 Y1646 I1651 L1657 L1661L1377-L1642 HydrophobicContact CD2-CD2 4.16Å; L1381-L1642 HydrophobicContact CD1-CD1 3.55Å; L1381-L1642 HydrophobicContact CD1-CD2 4.1Å; L1381-L1642 HydrophobicContact CD1-CG 4.47Å; W1414-L1642 HydrophobicContact CH2-CD1 4.2Å; L1638-L1642 HydrophobicContact CD1-CD1 3.96Å; L1638-L1642 HydrophobicContact CD1-CG 4.23Å; L1638-L1642 HydrophobicContact CG-CD1 3.96Å; L1638-L1642 WeakPolarHBondContact O-CB 3.3Å; L1638-L1642 VanDerWaalsContact O-CG 3.26Å; L1638-L1642 WeakPolarHBondContact O-CG 3.35Å; L1638-L1642 PolarHBondContact O-N 2.67Å; E1639-L1642 PolarHBondContact O-N 2.86Å; L1642-I1644 PolarHBondContact O-N 3.32Å; L1642-R1645 PolarHBondContact O-N 3.24Å; L1642-Y1646 WeakPolarHBondContact O-CB 3.5Å; L1642-Y1646 PolarHBondContact O-N 3.04Å; L1642-I1651 HydrophobicContact CB-CD1 4.17Å; L1642-I1651 HydrophobicContact CD2-CD1 3.99Å; L1642-I1651 VanDerWaalsContact O-CD1 3.27Å; L1642-I1651 WeakPolarHBondContact O-CD1 3.42Å; L1642-L1657 HydrophobicContact CD1-CD1 4.46Å; L1642-L1661 HydrophobicContact CB-CD1 3.86Å; L1642-L1661 HydrophobicContact CB-CD2 3.88Å
1643L88.2Confident84.4Confident11 Ų1150.5 Ų50.56%0.05825%0.254CS..Hα-helixtrans-65.6-36.2177-173.971.4000112.7E1639 N1640 F1641 Y1646 R1647 L1662E1639-L1643 VanDerWaalsContact O-CB 3.25Å; E1639-L1643 WeakPolarHBondContact O-CB 3.06Å; E1639-L1643 PolarHBondContact O-N 2.93Å; N1640-L1643 PolarHBondContact O-N 2.91Å; F1641-L1643 VanDerWaalsContact C-N 3.34Å; F1641-L1643 PolarHBondContact O-N 3.37Å; L1643-Y1646 PolarHBondContact O-N 3.24Å; L1643-R1647 WeakPolarHBondContact O-CG 3.15Å; L1643-R1647 PolarHBondContact O-N 3.22Å; L1643-L1662 HydrophobicContact CD1-CD2 4.18Å
1644I83.5Confident83.9Confident94 Ų9451.7 Ų51.748%0.48226%0.261SS..Hα-helixtrans-63.3-45.4173.3-69.8162.4000109.7N1640 F1641 L1642 Y1646 R1647 L1648N1640-I1644 WeakPolarHBondContact O-CD1 3.48Å; N1640-I1644 VanDerWaalsContact O-CG1 3.29Å; N1640-I1644 WeakPolarHBondContact O-CG1 3.25Å; N1640-I1644 PolarHBondContact O-N 2.78Å; F1641-I1644 PolarHBondContact O-N 2.79Å; L1642-I1644 PolarHBondContact O-N 3.32Å; I1644-Y1646 PolarHBondContact O-N 3.41Å; I1644-R1647 PolarHBondContact O-N 3.24Å; I1644-L1648 HydrophobicContact CG2-CD1 4.1Å; I1644-L1648 WeakPolarHBondContact O-CG 3.32Å; I1644-L1648 PolarHBondContact O-N 3.5Å
1645R85.2Confident83.8Confident13 Ų1351.6 Ų51.65%0.04926%0.26CS..Hα-helixtrans-67.8-33.7177.3-63.9-58.5177.3110.9-3.8113.3D1371 L1374 F1641 L1642 L1648 G1649 K1650 I1651D1371-R1645 IonicContact OD1-NH1 3.59Å; L1374-R1645 HydrophobicContact CD1-CB 4.43Å; L1374-R1645 HydrophobicContact CD1-CG 4.27Å; L1374-R1645 HydrophobicContact CD2-CB 3.89Å; L1374-R1645 HydrophobicContact CD2-CG 3.76Å; F1641-R1645 HydrophobicContact CE1-CG 3.76Å; F1641-R1645 HydrophobicContact CE2-CG 3.83Å; F1641-R1645 HydrophobicContact CZ-CG 3.27Å; F1641-R1645 PolarHBondContact O-N 3.46Å; F1641-R1645 VanDerWaalsContact O-N 3.11Å; L1642-R1645 PolarHBondContact O-N 3.24Å; R1645-L1648 CarbonylContact O-C 3.58Å; R1645-L1648 PolarHBondContact O-N 3.05Å; R1645-G1649 PolarHBondContact O-N 2.98Å; R1645-K1650 HydrophobicContact CB-CB 4.36Å; R1645-K1650 WeakPolarHBondContact O-CB 3.47Å; R1645-K1650 PolarHBondContact O-N 3.23Å; R1645-I1651 HydrophobicContact CB-CD1 4.19Å; R1645-I1651 HydrophobicContact CB-CG1 4.18Å
1646Y87.9Confident83.8Confident39 Ų3952.6 Ų52.615%0.15327%0.266CS..Hα-helixtrans-59.8-49.6169.2177.7-86.1000111.5L1642 L1643 I1644 L1648 G1649 I1651 L1662L1642-Y1646 WeakPolarHBondContact O-CB 3.5Å; L1642-Y1646 PolarHBondContact O-N 3.04Å; L1643-Y1646 PolarHBondContact O-N 3.24Å; I1644-Y1646 PolarHBondContact O-N 3.41Å; Y1646-L1648 PolarHBondContact O-N 3.16Å; Y1646-G1649 PolarHBondContact O-N 3.27Å; Y1646-I1651 HydrophobicContact CD2-CB 4.29Å; Y1646-I1651 HydrophobicContact CD2-CG2 4.48Å; Y1646-L1662 HydrophobicContact CD1-CD2 4.31Å; Y1646-L1662 HydrophobicContact CE1-CD1 4.14Å; Y1646-L1662 HydrophobicContact CE1-CD2 3.97Å; Y1646-L1662 HydrophobicContact CE1-CG 4.44Å; Y1646-L1662 HydrophobicContact CE2-CD1 4.41Å
1647R84.8Confident83.9Confident175 Ų17547.9 Ų47.966%0.6625%0.245SC*.Hα-helixtrans-62-27.5177.4-74.4175174-172.7-3.5113.4L1643 I1644 G1649L1643-R1647 WeakPolarHBondContact O-CG 3.15Å; L1643-R1647 PolarHBondContact O-N 3.22Å; I1644-R1647 PolarHBondContact O-N 3.24Å; R1647-G1649 VanDerWaalsContact C-N 3.27Å; R1647-G1649 PolarHBondContact O-N 2.93Å
1648L85.3Confident84.1Confident115 Ų11545.7 Ų45.760%0.60224%0.235SC*.THydrogen-bonded Turntrans-83.98.4173-66.1170.4000113.7I1644 R1645 Y1646 K1650I1644-L1648 HydrophobicContact CG2-CD1 4.1Å; I1644-L1648 WeakPolarHBondContact O-CG 3.32Å; I1644-L1648 PolarHBondContact O-N 3.5Å; R1645-L1648 CarbonylContact O-C 3.58Å; R1645-L1648 PolarHBondContact O-N 3.05Å; Y1646-L1648 PolarHBondContact O-N 3.16Å; L1648-K1650 HydrophobicContact CB-CG 4.35Å; L1648-K1650 PolarHBondContact O-N 3.33Å
1649G82.5Confident84.3Confident55 Ų5547.4 Ų47.457%0.56724%0.243SC*.THydrogen-bonded Turntrans709.9179.700000115R1645 Y1646 R1647 I1651R1645-G1649 PolarHBondContact O-N 2.98Å; Y1646-G1649 PolarHBondContact O-N 3.27Å; R1647-G1649 VanDerWaalsContact C-N 3.27Å; R1647-G1649 PolarHBondContact O-N 2.93Å; G1649-I1651 VanDerWaalsContact C-N 3.33Å
1650K82.1Confident84.4Confident72 Ų7247.1 Ų47.131%0.31324%0.242SC..  trans-87-0.3-176.8-62.5-167165.7-165.70114.2D1371 L1374 R1645 L1648D1371-K1650 WeakPolarHBondContact OD1-CD 3.4Å; D1371-K1650 IonicContact OD1-NZ 2.89Å; D1371-K1650 PolarHBondContact OD1-NZ 3.39Å; D1371-K1650 IonicContact OD2-NZ 1.91Å; D1371-K1650 PolarHBondContact OD2-NZ 3.47Å; L1374-K1650 HydrophobicContact CD2-CB 3.83Å; L1374-K1650 HydrophobicContact CD2-CD 4.35Å; R1645-K1650 HydrophobicContact CB-CB 4.36Å; R1645-K1650 WeakPolarHBondContact O-CB 3.47Å; R1645-K1650 PolarHBondContact O-N 3.23Å; L1648-K1650 HydrophobicContact CB-CG 4.35Å; L1648-K1650 PolarHBondContact O-N 3.33Å
1651I83.3Confident84.5Confident1 Ų145.8 Ų45.81%0.00523%0.234CC..SBendtrans-124.5132.6170.7-54-173000106.3L1642 R1645 Y1646 G1649 N1653 L1657L1642-I1651 HydrophobicContact CB-CD1 4.17Å; L1642-I1651 HydrophobicContact CD2-CD1 3.99Å; L1642-I1651 VanDerWaalsContact O-CD1 3.27Å; L1642-I1651 WeakPolarHBondContact O-CD1 3.42Å; R1645-I1651 HydrophobicContact CB-CD1 4.19Å; R1645-I1651 HydrophobicContact CB-CG1 4.18Å; Y1646-I1651 HydrophobicContact CD2-CB 4.29Å; Y1646-I1651 HydrophobicContact CD2-CG2 4.48Å; G1649-I1651 VanDerWaalsContact C-N 3.33Å; I1651-N1653 PolarHBondContact O-N 3.23Å; I1651-L1657 HydrophobicContact CG2-CD2 4.38Å
1652P76Confident84.6Confident70 Ų7048.3 Ų48.346%0.45525%0.248SC..  trans-58.8126.8-178.521.5-32.3000111.8E1654 S1655P1652-E1654 PolarHBondContact O-N 3.24Å; P1652-S1655 PolarHBondContact O-OG 3.09Å
1653N68Low84.2Confident108 Ų10850.5 Ų50.558%0.57826%0.261SS*.SBendtrans-57.2-7-172.3-72.5-9.2000116.5I1651I1651-N1653 PolarHBondContact O-N 3.23Å
1654E76.9Confident83.1Confident101 Ų10152.1 Ų52.147%0.47227%0.268SS..SBendtrans-147.860.7-167.4-142.9178.7-52.600107.7R182 P1652 S1658R182-E1654 WeakPolarHBondContact CB-O 3.35Å; R182-E1654 VanDerWaalsContact CD-O 3.3Å; R182-E1654 WeakPolarHBondContact CD-O 3.42Å; R182-E1654 HydrophobicContact CG-CB 4.28Å; R182-E1654 HydrophobicContact CG-CG 3.96Å; R182-E1654 WeakPolarHBondContact CG-OE2 3.43Å; R182-E1654 IonicContact CZ-OE1 3.7Å; R182-E1654 IonicContact CZ-OE2 2.67Å; R182-E1654 IonicContact NE-OE1 2.78Å; R182-E1654 IonicContact NE-OE2 2.79Å; R182-E1654 PolarHBondContact NE-OE2 3.49Å; R182-E1654 IonicContact NH2-OE1 3.91Å; R182-E1654 PolarHBondContact NH2-OE1 2.95Å; R182-E1654 IonicContact NH2-OE2 2.64Å; R182-E1654 PolarHBondContact NH2-OE2 3.45Å; P1652-E1654 PolarHBondContact O-N 3.24Å; E1654-S1658 PolarHBondContact N-OG 3.27Å
1655S85.7Confident82Confident2 Ų251.2 Ų51.21%0.01426%0.259CS..SBendtrans-122157.917851.30000110.1E1382 P1652 L1657 S1658 E1659E1382-S1655 WeakPolarHBondContact OE1-CB 3.39Å; P1652-S1655 PolarHBondContact O-OG 3.09Å; S1655-L1657 PolarHBondContact O-N 2.92Å; S1655-S1658 PolarHBondContact N-OG 3.06Å; S1655-S1658 PolarHBondContact O-N 3.09Å; S1655-S1658 PolarHBondContact O-OG 3.23Å; S1655-S1658 WeakPolarHBondContact OG-CB 3.09Å; S1655-S1658 PolarHBondContact OG-N 2.91Å; S1655-S1658 PolarHBondContact OG-OG 3.39Å; S1655-E1659 PolarHBondContact O-N 3.34Å
1656L88.3Confident80.2Confident22 Ų2255 Ų5512%0.11529%0.287CS..Hα-helixtrans-57.4-36.4172.1-178.361.6000111L1385 F1386 E1659 M1660L1385-L1656 HydrophobicContact CB-CD2 3.78Å; L1385-L1656 HydrophobicContact CB-CG 4.27Å; L1385-L1656 HydrophobicContact CD1-CG 4.44Å; F1386-L1656 HydrophobicContact CD1-CD2 4.16Å; F1386-L1656 HydrophobicContact CD2-CD2 3.91Å; F1386-L1656 HydrophobicContact CE1-CD2 3.94Å; F1386-L1656 HydrophobicContact CE2-CB 4.22Å; F1386-L1656 HydrophobicContact CE2-CD2 3.66Å; F1386-L1656 HydrophobicContact CG-CD2 4.12Å; F1386-L1656 HydrophobicContact CZ-CB 4.3Å; F1386-L1656 HydrophobicContact CZ-CD2 3.64Å; L1656-E1659 PolarHBondContact O-N 3.14Å; L1656-M1660 HydrophobicContact CD1-CE 3.78Å; L1656-M1660 HydrophobicContact CD1-CG 4.44Å; L1656-M1660 WeakPolarHBondContact O-CB 3.49Å; L1656-M1660 WeakPolarHBondContact O-CG 3.19Å; L1656-M1660 PolarHBondContact O-N 2.78Å
1657L90.7Very high77.9Confident0 Ų058.1 Ų58.10%030%0.298CS..Hα-helixtrans-62.8-42.3174.5-177.159.7000112.2C1378 L1381 E1382 L1385 W1414 L1642 I1651 S1655 M1660 L1661C1378-L1657 HydrophobicContact CB-CD2 4.03Å; L1381-L1657 HydrophobicContact CB-CD1 4.14Å; L1381-L1657 HydrophobicContact CB-CD2 4.08Å; L1381-L1657 HydrophobicContact CD1-CD1 4.32Å; L1381-L1657 HydrophobicContact CD1-CD2 4.29Å; E1382-L1657 HydrophobicContact CG-CB 3.79Å; L1385-L1657 HydrophobicContact CD1-CB 4.17Å; L1385-L1657 HydrophobicContact CD1-CD1 3.84Å; W1414-L1657 HydrophobicContact CH2-CD1 3.8Å; W1414-L1657 HydrophobicContact CZ3-CD1 4.08Å; L1642-L1657 HydrophobicContact CD1-CD1 4.46Å; I1651-L1657 HydrophobicContact CG2-CD2 4.38Å; S1655-L1657 PolarHBondContact O-N 2.92Å; L1657-M1660 PolarHBondContact O-N 2.81Å; L1657-L1661 HydrophobicContact CD1-CD1 4.19Å; L1657-L1661 HydrophobicContact CD1-CG 4.43Å; L1657-L1661 HydrophobicContact CG-CD1 3.96Å; L1657-L1661 WeakPolarHBondContact O-CB 3.48Å; L1657-L1661 WeakPolarHBondContact O-CD1 3.37Å; L1657-L1661 VanDerWaalsContact O-CG 3.27Å; L1657-L1661 WeakPolarHBondContact O-CG 3.35Å; L1657-L1661 PolarHBondContact O-N 3.5Å
1658S88.9Confident75.4Confident3 Ų354.3 Ų54.32%0.02130%0.295CS..Hα-helixtrans-68.6-39.217565.50000113.1E1654 S1655 M1660 L1661 L1662E1654-S1658 PolarHBondContact N-OG 3.27Å; S1655-S1658 PolarHBondContact N-OG 3.06Å; S1655-S1658 PolarHBondContact O-N 3.09Å; S1655-S1658 PolarHBondContact O-OG 3.23Å; S1655-S1658 WeakPolarHBondContact OG-CB 3.09Å; S1655-S1658 PolarHBondContact OG-N 2.91Å; S1655-S1658 PolarHBondContact OG-OG 3.39Å; S1658-M1660 VanDerWaalsContact C-N 3.29Å; S1658-M1660 PolarHBondContact O-N 3.22Å; S1658-L1661 PolarHBondContact O-N 3.45Å; S1658-L1662 WeakPolarHBondContact O-CB 3.36Å; S1658-L1662 VanDerWaalsContact O-CG 3.28Å; S1658-L1662 WeakPolarHBondContact O-CG 3.26Å; S1658-L1662 PolarHBondContact O-N 3.22Å
1659E88.2Confident72.5Confident51 Ų5154.6 Ų54.624%0.23831%0.306CS..Hα-helixtrans-57.1-44173.1-70.6-170-150.100110.6G181 S1655 L1656 T1663G181-E1659 PolarHBondContact N-OE1 2.93Å; S1655-E1659 PolarHBondContact O-N 3.34Å; L1656-E1659 PolarHBondContact O-N 3.14Å; E1659-T1663 WeakPolarHBondContact O-CB 3.43Å; E1659-T1663 VanDerWaalsContact O-CG2 3.23Å; E1659-T1663 WeakPolarHBondContact O-CG2 3.37Å; E1659-T1663 PolarHBondContact O-N 3.15Å; E1659-T1663 VanDerWaalsContact O-N 3.15Å; E1659-T1663 PolarHBondContact O-OG1 2.65Å
1660M89Confident69.8Low7 Ų758.9 Ų58.93%0.03432%0.315CS..Hα-helixtrans-71.3-29.2179.1-68.2-68.2157.400114.7L1385 L1410 N1411 W1414 L1656 L1657 S1658L1385-M1660 HydrophobicContact CD1-CB 4.31Å; L1385-M1660 HydrophobicContact CD1-CG 4.02Å; L1385-M1660 HydrophobicContact CD2-CG 4.05Å; L1410-M1660 HydrophobicContact CD1-SD 4.41Å; L1410-M1660 HydrophobicContact CD2-CE 3.43Å; L1410-M1660 VanDerWaalsContact CD2-CE 3.43Å; L1410-M1660 HydrophobicContact CD2-SD 4.14Å; L1410-M1660 HydrophobicContact CG-CE 3.9Å; L1410-M1660 HydrophobicContact CG-SD 3.89Å; N1411-M1660 PolarHBondContact OD1-SD 2.91Å; W1414-M1660 HydrophobicContact CD2-CB 4.42Å; W1414-M1660 HydrophobicContact CZ2-CB 4.37Å; W1414-M1660 PolarHBondContact NE1-O 2.89Å; L1656-M1660 HydrophobicContact CD1-CE 3.78Å; L1656-M1660 HydrophobicContact CD1-CG 4.44Å; L1656-M1660 WeakPolarHBondContact O-CB 3.49Å; L1656-M1660 WeakPolarHBondContact O-CG 3.19Å; L1656-M1660 PolarHBondContact O-N 2.78Å; L1657-M1660 PolarHBondContact O-N 2.81Å; S1658-M1660 VanDerWaalsContact C-N 3.29Å; S1658-M1660 PolarHBondContact O-N 3.22Å
1661L89.1Confident67.1Low5 Ų560.9 Ų60.93%0.02634%0.336CS..Hα-helixtrans-77.5-39.3175.7-75.9163.1000112.2W1414 E1639 L1642 L1657 S1658W1414-L1661 HydrophobicContact CH2-CD2 4.08Å; W1414-L1661 HydrophobicContact CH2-CG 4.41Å; W1414-L1661 HydrophobicContact CZ2-CD2 3.81Å; W1414-L1661 HydrophobicContact CZ2-CG 4.09Å; E1639-L1661 HydrophobicContact CB-CD2 4.44Å; E1639-L1661 HydrophobicContact CG-CD2 4.46Å; L1642-L1661 HydrophobicContact CB-CD1 3.86Å; L1642-L1661 HydrophobicContact CB-CD2 3.88Å; L1657-L1661 HydrophobicContact CD1-CD1 4.19Å; L1657-L1661 HydrophobicContact CD1-CG 4.43Å; L1657-L1661 HydrophobicContact CG-CD1 3.96Å; L1657-L1661 WeakPolarHBondContact O-CB 3.48Å; L1657-L1661 WeakPolarHBondContact O-CD1 3.37Å; L1657-L1661 VanDerWaalsContact O-CG 3.27Å; L1657-L1661 WeakPolarHBondContact O-CG 3.35Å; L1657-L1661 PolarHBondContact O-N 3.5Å; S1658-L1661 PolarHBondContact O-N 3.45Å
1662L85.3Confident64.6Low70 Ų7065 Ų6537%0.36636%0.36SS..Hα-helixtrans-82-44.3-173.5-66.8174.6000113.2L1643 Y1646 S1658 K1664 R1665 S1666L1643-L1662 HydrophobicContact CD1-CD2 4.18Å; Y1646-L1662 HydrophobicContact CD1-CD2 4.31Å; Y1646-L1662 HydrophobicContact CE1-CD1 4.14Å; Y1646-L1662 HydrophobicContact CE1-CD2 3.97Å; Y1646-L1662 HydrophobicContact CE1-CG 4.44Å; Y1646-L1662 HydrophobicContact CE2-CD1 4.41Å; S1658-L1662 WeakPolarHBondContact O-CB 3.36Å; S1658-L1662 VanDerWaalsContact O-CG 3.28Å; S1658-L1662 WeakPolarHBondContact O-CG 3.26Å; S1658-L1662 PolarHBondContact O-N 3.22Å; L1662-K1664 PolarHBondContact O-N 3.35Å; L1662-K1664 VanDerWaalsContact O-N 3.09Å; L1662-R1665 PolarHBondContact O-N 3.42Å; L1662-S1666 PolarHBondContact O-N 3.39Å
1663T78.6Confident62.3Low46 Ų4669.7 Ų69.728%0.28238%0.376SS..THydrogen-bonded Turntrans-55.7-29.7179.546.40000113.3N1411 E1659 S1666N1411-T1663 PolarHBondContact ND2-OG1 2.92Å; E1659-T1663 WeakPolarHBondContact O-CB 3.43Å; E1659-T1663 VanDerWaalsContact O-CG2 3.23Å; E1659-T1663 WeakPolarHBondContact O-CG2 3.37Å; E1659-T1663 PolarHBondContact O-N 3.15Å; E1659-T1663 VanDerWaalsContact O-N 3.15Å; E1659-T1663 PolarHBondContact O-OG1 2.65Å; T1663-S1666 PolarHBondContact O-OG 2.98Å
1664K65.8Low60.5Low46 Ų4670.2 Ų70.220%0.239%0.386CS..THydrogen-bonded Turntrans-72.7-25.6-179.2-152.4169.9-171.4149.20113.7N1411 S1412 S1415 E1639 L1662N1411-K1664 WeakPolarHBondContact O-CD 3.09Å; N1411-K1664 WeakPolarHBondContact O-CE 3.43Å; N1411-K1664 PolarHBondContact O-NZ 3.25Å; S1412-K1664 VanDerWaalsContact O-CE 3.32Å; S1412-K1664 WeakPolarHBondContact O-CE 3.26Å; S1412-K1664 PolarHBondContact O-NZ 2.91Å; S1415-K1664 PolarHBondContact OG-NZ 3.05Å; E1639-K1664 WeakPolarHBondContact OE1-CE 3.15Å; E1639-K1664 IonicContact OE1-NZ 2.86Å; E1639-K1664 PolarHBondContact OE1-NZ 3.23Å; E1639-K1664 WeakPolarHBondContact OE2-CD 3.43Å; E1639-K1664 IonicContact OE2-NZ 2.59Å; L1662-K1664 PolarHBondContact O-N 3.35Å; L1662-K1664 VanDerWaalsContact O-N 3.09Å
1665R61.4Low58.3Low74 Ų7469.1 Ų69.128%0.27939%0.389SS..THydrogen-bonded Turntrans-115.2-8.9-176-60.3-169.8-169.1-157.2-3.4114.2E1639 N1640 L1662 R1667 V1668E1639-R1665 IonicContact OE2-NH2 3.98Å; N1640-R1665 VanDerWaalsContact OD1-CZ 3.26Å; N1640-R1665 PolarHBondContact OD1-NH1 3.49Å; N1640-R1665 PolarHBondContact OD1-NH2 2.65Å; L1662-R1665 PolarHBondContact O-N 3.42Å; R1665-R1667 PolarHBondContact O-N 3.42Å; R1665-R1667 VanDerWaalsContact O-N 3.17Å; R1665-V1668 PolarHBondContact O-N 2.96Å
1666S46.9Very low55.4Low92 Ų9279.1 Ų79.164%0.64343%0.428SS*.THydrogen-bonded Turntrans-68.3-3.7170.564.40000114.4L1662 T1663L1662-S1666 PolarHBondContact O-N 3.39Å; T1663-S1666 PolarHBondContact O-OG 2.98Å
1667R39.5Very low52.5Low105 Ų10583.7 Ų83.740%0.39646%0.461SS..THydrogen-bonded Turntrans-89.7-19.3174.2-66.6-172176.6-157.8-7.3113.8E1404 Q1408 D1563 R1665E1404-R1667 IonicContact OE1-NH2 3.87Å; Q1408-R1667 VanDerWaalsContact CD-NH1 3.3Å; D1563-R1667 PolarHBondContact O-NH1 3.03Å; R1665-R1667 PolarHBondContact O-N 3.42Å; R1665-R1667 VanDerWaalsContact O-N 3.17Å
1668V32.1Very low49.5Very low96 Ų9690 Ų9058%0.58249%0.494SS*.SBendtrans-77.7122.3165.9-178.60000107R1665 L1670R1665-V1668 PolarHBondContact O-N 2.96Å; V1668-L1670 PolarHBondContact O-N 3.24Å
1669S23.8Very low46.8Very low120 Ų12095.8 Ų95.884%0.83953%0.532SS*.  trans-63100.9-169.1290000113
1670L26.1Very low43.9Very low145 Ų145102.3 Ų102.376%0.75957%0.565SS**  trans-105.5132.5165-83.6161.4000108.9V1668V1668-L1670 PolarHBondContact O-N 3.24Å
1671P26.3Very low40.9Very low114 Ų114108.1 Ų108.174%0.7460%0.601SS**  trans-71.6132.6-178.128.7-33.9000112
1672V30.1Very low38.1Very low87 Ų87113.2 Ų113.253%0.52764%0.636SS.*  trans40.7116.5146-171.70000118.4F565 T566F565-V1672 HydrophobicContact CE1-CG1 3.92Å; T566-V1672 HydrophobicContact CG2-CG2 4.23Å
1673Q27.6Very low35.3Very low169 Ų169115.4 Ų115.479%0.7966%0.658SS**PPolyproline II helixtrans-67145.5166.9-68.6-171.1-2200112.9
1674P29.8Very low32.9Very low120 Ų120120.9 Ų120.978%0.77968%0.682SS**PPolyproline II helixtrans-76.9134.2144.632.7-29.4000109.8
1675S30.2Very low31.2Very low77 Ų77127.1 Ų127.154%0.53871%0.709SS.*PPolyproline II helixtrans-81.8157.1-179.851.30000112.8
1676Y25.9Very low29.6Very low213 Ų213129 Ų12984%0.83573%0.734SS**PPolyproline II helixtrans-53.7140.5176.8-83.6-106.8000113.2
1677C27.1Very low29.2Very low118 Ų118130.2 Ų130.280%0.79774%0.739SS**  trans-128125.9148.1-84.40000108.9
1678N27.2Very low28.9Very low132 Ų132130.4 Ų130.471%0.70676%0.755SS**  trans-77.1163.3169.3-62.9-17.5000109.9
1679P33.4Very low28.5Very low124 Ų124130.4 Ų130.481%0.80576%0.759SS**  -108.1143.9127.3-12.630.2000111.8
1680M25.7Very low28.7Very low189 Ų189130.6 Ų130.693%0.93176%0.755SS**  trans-91168.1160.1-106.9-176.9163.400110.2
1681T27.5Very low28.8Very low129 Ų129129.5 Ų129.579%0.79176%0.755SS**  trans-114.7128.6-159.753.70000114.9
1682S29.8Very low28.8Very low111 Ų111129.6 Ų129.678%0.77676%0.758SS**  trans-162.8100.8155.651.70000108.7
1683S26.4Very low28.7Very low117 Ų117130.3 Ų130.382%0.81877%0.767SS**  81.599.274.9-73.70000114.5
1684M28.4Very low28.5Very low161 Ų161132.2 Ų132.279%0.79377%0.768SS**  trans-157.3124.4144.1-99-58.3176.200111.8
1685K30.4Very low28.3Very low176 Ų176130.5 Ų130.577%0.76576%0.755SS**  trans32106.3149.5-68.3174.6-178.3172.20123.3
1686S26.7Very low28.1Very low113 Ų113131 Ų13179%0.7975%0.751SS**  66.8150.3127.949.90000123.8
1687P40Very low28.3Very low118 Ų118123.8 Ų123.877%0.76673%0.73SS**  trans-107.3-173.8-173.544.6-36.6000114.1
1688P32.2Very low28.3Very low110 Ų110123.7 Ų123.771%0.71473%0.726SS**  -147.5169.295.941.9-27.1000116.8
1689S23.2Very low28.1Very low96 Ų96123 Ų12367%0.67173%0.73SS**  trans30.9139.7146.161.10000122
1690T27.9Very low27.8Very low124 Ų124125.3 Ų125.376%0.76173%0.73SS**  cis178.7165.9-0.228.50000106.3
1691T28.6Very low27.9Very low122 Ų122124.4 Ų124.475%0.74872%0.721SS**  cis-166.8156.21.212.60000108.8
1692S25.9Very low27.8Very low115 Ų115121.8 Ų121.880%0.80471%0.713SS**  trans69.3142.3162.8-140.80000116.4
1693S28.8Very low27.5Very low103 Ų103126.1 Ų126.172%0.7271%0.714SS**  cis-160.2172.3-3.212.30000111
1694Y23.1Very low27.5Very low209 Ų209126.3 Ų126.382%0.8271%0.71SS**  trans-34.2159.1166.7-68.9-98.9000116
1695V25.8Very low27.4Very low83 Ų83125 Ų12550%0.50371%0.707SS.*  cis-150.417349.3-166.30000114.1N1361 A1363N1361-V1695 HydrophobicContact CB-CB 4.47Å; A1363-V1695 HydrophobicContact CB-CG1 3.94Å
1696I25.3Very low27.2Very low89 Ų89122 Ų12246%0.45670%0.703SS.*  trans-88.6143.9-178.9-69.6153.8000110.8N1361 A1363N1361-I1696 PolarHBondContact OD1-O 3.33Å; A1363-I1696 HydrophobicContact CB-CB 4.04Å; A1363-I1696 HydrophobicContact CB-CD1 4.16Å; A1363-I1696 HydrophobicContact CB-CG2 4.3Å
1697P31.3Very low27.3Very low61 Ų61123.9 Ų123.940%0.39670%0.704SS.*  -161.8159.586.143.7-21.5000122.6
1698T26Very low26.6Very low115 Ų115122.5 Ų122.571%0.70670%0.697SS**  trans43147.2144.156.30000126.5
1699C23.9Very low26.4Very low118 Ų118126 Ų12680%0.79770%0.701SS**  trans-77174.2170.8-52.10000113.1
1700Q26.6Very low26.7Very low172 Ų172127 Ų12780%0.80470%0.703SS**  cis-163.7166.239-161.5168.9-82.800116
1701F27.6Very low26.6Very low170 Ų170128 Ų12875%0.74670%0.702SS**  trans-56.4156.3-176.7-81.8-94.6000119.6Y1703F1701-Y1703 AromaticContact CD1-CD2 3.76Å; F1701-Y1703 HydrophobicContact CD1-CD2 3.76Å; F1701-Y1703 HydrophobicContact CD1-CE2 4.12Å; F1701-Y1703 AromaticContact CE1-CD2 3.97Å; F1701-Y1703 HydrophobicContact CE1-CD2 3.97Å; F1701-Y1703 AromaticContact CE1-CE2 3.83Å; F1701-Y1703 HydrophobicContact CE1-CE2 3.83Å
1702A25.4Very low26.6Very low75 Ų75127.5 Ų127.562%0.6270%0.701SS**  trans-133.2159.2139.700000110.2
1703Y24.5Very low26.5Very low201 Ų201128.2 Ų128.279%0.78870%0.7SS**  trans-152133.3-167.6-132.6-67.9000111.5F1701F1701-Y1703 AromaticContact CD1-CD2 3.76Å; F1701-Y1703 HydrophobicContact CD1-CD2 3.76Å; F1701-Y1703 HydrophobicContact CD1-CE2 4.12Å; F1701-Y1703 AromaticContact CE1-CD2 3.97Å; F1701-Y1703 HydrophobicContact CE1-CD2 3.97Å; F1701-Y1703 AromaticContact CE1-CE2 3.83Å; F1701-Y1703 HydrophobicContact CE1-CE2 3.83Å
1704T26.8Very low26.6Very low122 Ų122128.6 Ų128.675%0.74870%0.703SS**  trans174.2154.9161.938.80000109.2
1705N26.4Very low26.8Very low134 Ų134123.5 Ų123.572%0.71770%0.698SS**  cis-158.6126.8-21.2-107.5-11.6000106.9
1706V26.1Very low26.8Very low113 Ų113127.7 Ų127.769%0.68572%0.717SS**  64.6106.995178.20000115.9
1707N27.5Very low26.8Very low151 Ų151127.7 Ų127.781%0.80773%0.725SS**  trans162.7152.1134.5-87.5-40.4000111.9
1708S26.2Very low26.7Very low89 Ų89130.7 Ų130.762%0.62274%0.742SS**  cis-177.2165.7-30.660.80000110.4
1709K27.6Very low26.6Very low183 Ų183130.4 Ų130.480%0.79674%0.736SS**  trans68.8151.3164.6-92171.8179.7173.40116.9
1710V29.8Very low26.9Very low117 Ų117128.8 Ų128.871%0.70973%0.731SS**  cis-139.4137.26.3-161.60000105.5
1711I24.9Very low26.9Very low145 Ų145125.6 Ų125.674%0.74472%0.72SS**  56.6142.270-72.6160.6000112.3
1712P29.4Very low26.7Very low113 Ų113121.4 Ų121.473%0.73471%0.711SS**  cis-131.7174.818.327.7-2.9000119.5
1713T24Very low26.7Very low129 Ų129126.8 Ų126.879%0.79172%0.715SS**  trans-48.6154.6170.353.60000120.7
1714S30.3Very low26.8Very low112 Ų112125 Ų12578%0.78372%0.718SS**  176.9161.7126.634.50000111.7
1715S26.9Very low26.8Very low101 Ų101124.8 Ų124.871%0.70672%0.722SS**  -178.1135.2-51.747.80000110.9
1716L25.6Very low26.8Very low172 Ų172126.1 Ų126.190%0.90173%0.729SS**  trans65.5159.6165.9-93.763.3000116.1
1717S25.1Very low26.8Very low88 Ų88128.7 Ų128.762%0.61573%0.733SS**  cis-159.9178.3-6.6540000111.8
1718T31.1Very low26.7Very low125 Ų125127.2 Ų127.277%0.76773%0.73SS**  trans71.3123.6147.939.50000120.2
1719D22.5Very low26.6Very low108 Ų108128.6 Ų128.658%0.57873%0.729SS**  trans-85.5-156.5169.6-46.8-86.3000111.9
1720A29.6Very low26.5Very low84 Ų84127.9 Ų127.969%0.69473%0.726SS**  trans83.190.4-17800000117.5
1721D27.1Very low26.6Very low106 Ų106129.2 Ų129.257%0.56772%0.724SS**  64.8109.2127.6-78.8-78.1000124.6S556S556-D1721 PolarHBondContact OG-OD2 3.44Å
1722C24.3Very low26.8Very low82 Ų82127.6 Ų127.655%0.55472%0.721SS**  67.2119.5114.7-77.20000123.3
1723R24.8Very low27Very low187 Ų187127.6 Ų127.671%0.70672%0.715SS**  trans101.1120.9137-75.2-179179.1-169.51.3120.8
1724L26.1Very low27.3Very low164 Ų164129.8 Ų129.886%0.85972%0.716SS**  trans78.6119.3145.5-67.2166.4000119
1725S26.6Very low27.4Very low117 Ų117128.3 Ų128.382%0.81871%0.71SS**  trans-58.7143.6162.9-43.40000111.8
1726D27.1Very low27.5Very low163 Ų163128.9 Ų128.987%0.87272%0.715SS**  trans-151.4143.5133.3-137.9-12.8000109.5
1727E25.5Very low27.8Very low167 Ų167123.9 Ų123.978%0.7869%0.694SS**  trans-71.5160164.4-74.8-162.8108.800109.5
1728V26.3Very low27.9Very low120 Ų120125.5 Ų125.573%0.72770%0.695SS**  169.499.9119.8155.10000109.8
1729I24.8Very low27.7Very low118 Ų118122.4 Ų122.461%0.60568%0.678SS**  57.2137.4122.1-63.7169000119.1
1730K25.9Very low28.1Very low167 Ų167121.7 Ų121.773%0.72668%0.677SS**  trans78.5150.1166-73157.2-169.9167.50116.4
1731H31.2Very low28.2Very low145 Ų145124.5 Ų124.567%0.67168%0.681SS**  cis-153.2146.32.3-120.9-44.5000110.7
1732T28.5Very low28.5Very low112 Ų112127.1 Ų127.169%0.68770%0.695SS**  trans63.2147.9151.253.60000118.6
1733N33.8Very low29.5Very low113 Ų113127.6 Ų127.660%0.60470%0.697SS**  cis-149.9146.15.3-109.8-13.3000109.1
1734Q30.8Very low30Very low174 Ų174125.7 Ų125.781%0.81370%0.701SS**  53.7139.9102-54.8176.91.900115.7
1735A31.7Very low30.4Very low81 Ų81123 Ų12367%0.66970%0.696SS**  cis-156.9148.79.700000110.7
1736S30Very low30.7Very low114 Ų114120.9 Ų120.980%0.79769%0.693SS**  74.8164.983.495.80000116.1
1737S31.9Very low31Very low66 Ų66119.4 Ų119.446%0.46269%0.689SS.*  cis-117.7-132.59.558.50000112.3T849 S850T849-S1737 VanDerWaalsContact CB-C 3.4Å; T849-S1737 WeakPolarHBondContact CB-O 3.07Å; T849-S1737 PolarHBondContact OG1-OG 2.9Å; S850-S1737 VanDerWaalsContact CA-O 3.26Å; S850-S1737 WeakPolarHBondContact CA-O 3.06Å; S850-S1737 WeakPolarHBondContact CB-O 3.26Å
1738L27.1Very low31.3Very low123 Ų123117.2 Ų117.264%0.64469%0.688SS**  cis153.754.7-3.2-61.1112.9000117.5S848 T849S848-L1738 CarbonylContact O-C 3.17Å; T849-L1738 VanDerWaalsContact CB-N 3.3Å; T849-L1738 WeakPolarHBondContact OG1-CA 3.46Å; T849-L1738 PolarHBondContact OG1-N 3.37Å
1739C26.2Very low31.4Very low60 Ų60119.4 Ų119.441%0.40569%0.692SS.*  trans-80144.1-166.5-106.40000122.2S848 T849 S850S848-C1739 WeakPolarHBondContact O-CA 3.4Å; S848-C1739 PolarHBondContact O-N 3.02Å; T849-C1739 WeakPolarHBondContact CA-SG 2.84Å; T849-C1739 PolarHBondContact N-SG 3.41Å; T849-C1739 VanDerWaalsContact N-SG 3.44Å; S850-C1739 PolarHBondContact N-SG 2.75Å
1740T30.9Very low31.6Very low92 Ų92121.7 Ų121.756%0.56470%0.702SS**  trans-166.9168.7165.341.10000116.2
1741N30.9Very low31.9Very low144 Ų144121 Ų12177%0.7771%0.705SS**  178120.5-55.6-96.4-17000116.2
1742N34.4Very low31.8Very low160 Ų160121.1 Ų121.186%0.85671%0.71SS**  trans52.6-171.4143-121.6-5.9000121
1743P44.6Very low31.9Very low92 Ų92122.2 Ų122.260%0.59772%0.717SS**  cis-142-171-5.144-23.8000119.3
1744N35.1Very low31.7Very low148 Ų148123.8 Ų123.879%0.79173%0.731SS**  trans82154.3150.9-68.4-11.6000123.3
1745S34.3Very low31.7Very low107 Ų107119.1 Ų119.175%0.74873%0.73SS**  cis179.7141.6-27.759.40000116.1
1746G33.1Very low31.6Very low73 Ų73120.6 Ų120.675%0.75374%0.735SS**  trans90.616314300000122.6
1747T34.4Very low31.4Very low131 Ų131122.8 Ų122.880%0.80474%0.737SS**  cis-170.7162.1-13.5-49.20000112.9
1748T31.2Very low31.2Very low122 Ų122124.3 Ų124.375%0.74875%0.748SS**  trans104.4154.1145.7-30.30000120.4
1749M27.9Very low31.6Very low165 Ų165125 Ų12581%0.81376%0.757SS**  179.7168.5-65-109.4-79.7-16700114.9
1750M29.5Very low31.9Very low167 Ų167128.5 Ų128.582%0.82378%0.777SS**  trans80.5161.8164.2-36.9-164.1-157.700119.8
1751I33.1Very low31.8Very low153 Ų153129.2 Ų129.279%0.78578%0.783SS**  cis-140.2161.114.1-56.9168.9000112.8
1752N27.8Very low31.9Very low147 Ų147131.9 Ų131.979%0.78679%0.788SS**  trans-61177.8175.1-47.4-37000116.1
1753T32.2Very low31.7Very low135 Ų135130.7 Ų130.783%0.82879%0.787SS**  -164.2179.565.747.40000116.1
1754T28.7Very low30.8Very low145 Ų145130.3 Ų130.389%0.8979%0.787SS**  trans-97.4158.1-168.152.20000116.6
1755G31.9Very low30.4Very low77 Ų77129.1 Ų129.179%0.79479%0.787SS**  trans-165.5157.6165.300000113.2
1756S27.6Very low30.1Very low112 Ų112130.6 Ų130.678%0.78379%0.785SS**  trans-156.4171.7-170.1640000115.5
1757L27Very low30.2Very low160 Ų160132.6 Ų132.684%0.83879%0.785SS**  trans85.5135.8170.8-93.173.6000119.6
1758S26.9Very low29.8Very low97 Ų97131.3 Ų131.368%0.67878%0.781SS**  trans-32.2136.1168.152.90000118.8
1759T35.3Very low30Very low137 Ų137131.4 Ų131.484%0.8478%0.782SS**  -169.1150.5116.7150000110.9
1760T32.4Very low29.8Very low134 Ų134133 Ų13382%0.82279%0.785SS**  trans-70.8137.8169.350.90000110.2
1761P30.5Very low29.5Very low108 Ų108129.7 Ų129.770%0.70178%0.777SS**  -133.9166.695.713.97.6000114.2
1762F31.3Very low29.2Very low199 Ų199129.2 Ų129.287%0.87378%0.776SS**SBendtrans11.7118.8147-60.2-110000116.2
1763T30.4Very low29.2Very low135 Ų135127.8 Ų127.883%0.82877%0.772SS**  cis-137.9116.334.951.90000115.3
1764S26.1Very low29.1Very low85 Ų85124.8 Ų124.859%0.59476%0.757SS**  trans-69.6157.314655.30000110.2
1765P27.2Very low29.1Very low123 Ų123123 Ų12380%0.79974%0.742SS**  -133.3154.472.816.36.4000114
1766I27.2Very low29.2Very low138 Ų138126 Ų12671%0.70874%0.735SS**  cis55.9122.2-1.5-48.1175.8000114.8
1767P36.3Very low29.2Very low115 Ų115124 Ų12475%0.74772%0.715SS**  cis-114.9-145.324.320.16.1000110.3
1768S26.2Very low29.4Very low104 Ų104122.1 Ų122.173%0.72771%0.712SS**  cis-158160.212.6-37.50000114.1
1769T34.7Very low29.7Very low124 Ų124123 Ų12376%0.76171%0.714SS**  trans-102.2153.816252.20000110.9
1770F23.7Very low29.7Very low199 Ų199121.1 Ų121.187%0.87371%0.706SS**SBendtrans63.8152.1170.9-80.8-88.1000117.9
1771S23.1Very low29.9Very low96 Ų96119.4 Ų119.467%0.67169%0.691SS**  trans30.9119.3155.2-58.90000122.4
1772L26.1Very low29.8Very low143 Ų143118.5 Ų118.575%0.74969%0.685SS**  trans67.7123.9134.2-64.2169.1000120.9
1773T28.6Very low29.8Very low117 Ų117115.1 Ų115.172%0.71867%0.672SS**  trans66.5149.314760.70000119.5
1774S30.3Very low29.6Very low73 Ų73115.8 Ų115.851%0.5167%0.67SS.*  cis-171.8141-19.9-95.50000111.1
1775L28.2Very low29.7Very low108 Ų108119.3 Ų119.357%0.56568%0.682SS**  trans60.7168.4152.7-60.3164000117.4I1781L1775-I1781 HydrophobicContact CD2-CD1 4.36Å; L1775-I1781 HydrophobicContact CD2-CG1 4.02Å
1776H33Very low29.8Very low138 Ų138119.9 Ų119.964%0.63968%0.678SS**  cis-134.2131.8-5.2-119.4-90.8000105.5
1777L29.6Very low29.7Very low72 Ų72123.9 Ų123.938%0.37768%0.684SS.*  70.8162.985.9-110.472.2000115.4T1779 I1781L1777-T1779 HydrophobicContact CD2-CG2 3.88Å; L1777-T1779 HydrophobicContact CG-CG2 4.5Å; L1777-I1781 HydrophobicContact CD1-CB 4.44Å; L1777-I1781 HydrophobicContact CD1-CD1 4.47Å; L1777-I1781 HydrophobicContact CD1-CG1 3.87Å; L1777-I1781 HydrophobicContact CD2-CB 4.38Å; L1777-I1781 HydrophobicContact CD2-CD1 3.52Å; L1777-I1781 HydrophobicContact CD2-CG1 3.79Å; L1777-I1781 HydrophobicContact CG-CG1 4.49Å
1778P30.4Very low29.2Very low120 Ų120125.2 Ų125.278%0.77969%0.685SS**SBendcis-91.4160.519.137.3-37.6000114.2
1779T32.4Very low29.2Very low116 Ų116127 Ų12771%0.71269%0.686SS**SBendcis-163.5125-16.323.80000104.1L1777L1777-T1779 HydrophobicContact CD2-CG2 3.88Å; L1777-T1779 HydrophobicContact CG-CG2 4.5Å
1780S36.8Very low28.8Very low96 Ų96128.1 Ų128.167%0.67169%0.688SS**  cis-145.8136.714.9-70.70000109.4
1781I34.9Very low28.9Very low98 Ų98124 Ų12450%0.50368%0.682SS.*  73128.284.2-98.2172.3000112.7L1775 L1777L1775-I1781 HydrophobicContact CD2-CD1 4.36Å; L1775-I1781 HydrophobicContact CD2-CG1 4.02Å; L1777-I1781 HydrophobicContact CD1-CB 4.44Å; L1777-I1781 HydrophobicContact CD1-CD1 4.47Å; L1777-I1781 HydrophobicContact CD1-CG1 3.87Å; L1777-I1781 HydrophobicContact CD2-CB 4.38Å; L1777-I1781 HydrophobicContact CD2-CD1 3.52Å; L1777-I1781 HydrophobicContact CD2-CG1 3.79Å; L1777-I1781 HydrophobicContact CG-CG1 4.49Å
1782P28.9Very low29Very low90 Ų90124.3 Ų124.358%0.58468%0.684SS**  -146.9-166.7-79.138.3-17.7000115.9
1783H32.3Very low29Very low128 Ų128123.6 Ų123.659%0.59368%0.681SS**  trans82.3129.4141.6-99-75.8000121.7
1784L26.2Very low28.9Very low149 Ų149124.4 Ų124.478%0.7868%0.682SS**  trans-74.2156.1164.3-52.872.6000110.8
1785N28.6Very low28.7Very low159 Ų159128.3 Ų128.385%0.8570%0.696SS**  -155168.8119.2-128.4-25.8000115.7
1786N28.4Very low28.7Very low135 Ų135127.4 Ų127.472%0.72271%0.705SS**  trans-85.2150.7-171.5-167.4-8.4000113.1
1787R25.6Very low28.4Very low221 Ų221125.2 Ų125.283%0.83471%0.705SS**SBendtrans72.1139.7174.7-56.5178.8172.6169.5-4.6118
1788N24.8Very low28.3Very low144 Ų144129.5 Ų129.577%0.7773%0.728SS**SBendtrans64.4129.4169.1-61.1-3.1000118.1
1789N26.6Very low28.2Very low140 Ų140130.2 Ų130.275%0.74972%0.724SS**  trans58146.7148.7-58.3-2.7000121.1
1790N27.3Very low28Very low148 Ų148133 Ų13379%0.79173%0.726SS**  trans73.5132.8172.5-49.5-23000114.5
1791C24.3Very low27.8Very low112 Ų112136.1 Ų136.176%0.75774%0.735SS**  cis102129.422-680000114.3
1792S26.1Very low27.4Very low103 Ų103138.6 Ų138.672%0.7275%0.748SS**  trans70.4159.8159.8-570000118.2
1793N26.8Very low27.2Very low128 Ų128142 Ų14268%0.68476%0.761SS**  cis-171.7147.3-30.5-98.7-11.3000108.4
1794N26.2Very low27.1Very low135 Ų135141.5 Ų141.572%0.72277%0.772SS**  trans53.8173.3149.6-53.8-6000118.9
1795D25.4Very low27.2Very low154 Ų154142.7 Ų142.782%0.82477%0.774SS**  cis-106.5-169.7-12.1-55.2-72.5000109.2
1796A28.6Very low27Very low89 Ų89139.3 Ų139.374%0.73676%0.756SS**  cis-162.4164.59.200000108
1797S26.9Very low26.8Very low93 Ų93137 Ų13765%0.6575%0.75SS**  cis-172.2146.4-24.957.70000108.7
1798L27.3Very low26.7Very low162 Ų162129.9 Ų129.985%0.84873%0.733SS**  trans65.9153.3167.4-49.7159.8000114.9
1799L28.2Very low26.7Very low134 Ų134127 Ų12770%0.70272%0.721SS**  cis-150141.32.2-162.772.6000110.5
1800K28.5Very low26.7Very low174 Ų174124 Ų12476%0.75772%0.715SS**  trans21.7119.3154.4-60.1172.5-178.7-177.70119.6
1801N32.2Very low26.5Very low162 Ų162126 Ų12687%0.86672%0.717SS**  -165.3165.495.3-98.2-13.5000111.3
1802I25.8Very low26.5Very low151 Ų151127.1 Ų127.177%0.77472%0.715SS**  trans-126.9129.8-172-59.6167000107.9
1803D24.5Very low26.5Very low161 Ų161128.7 Ų128.786%0.86172%0.715SS**  trans173.6117.6131.7-94.3-25.8000110.9
1804S31.4Very low26.3Very low118 Ų118127.3 Ų127.383%0.82572%0.716SS**  trans-159.3128.2162.359.30000109.7
1805Q28.3Very low26.2Very low173 Ų173130.9 Ų130.981%0.80872%0.721SS**  trans-72.7171.6169.4-56-179.7-22.600109.3
1806L24.9Very low26.1Very low89 Ų89129 Ų12947%0.46672%0.715SS.*  cis-164168.828.2-162.350000109.2V596V596-L1806 VanDerWaalsContact C-CD1 3.42Å; V596-L1806 WeakPolarHBondContact O-CD1 3.45Å; V596-L1806 WeakPolarHBondContact O-CG 3.4Å
1807S22.5Very low26.1Very low86 Ų86131.8 Ų131.860%0.60172%0.718SS**  trans81.6151.7-178.1-156.80000119.1V596V596-S1807 WeakPolarHBondContact O-CA 3.48Å; V596-S1807 PolarHBondContact O-N 2.68Å
1808C23.3Very low25.9Very low72 Ų72132.4 Ų132.449%0.48672%0.722SS.*  trans-92.5-178.8-165.8-56.20000112.5Q1357Q1357-C1808 PolarHBondContact NE2-O 2.98Å
1809T25.3Very low26.3Very low84 Ų84130 Ų13052%0.51572%0.715SS.*  cis-147.9157.326.347.80000115.4E1360E1360-T1809 WeakPolarHBondContact OE1-CG2 3.41Å; E1360-T1809 PolarHBondContact OE1-OG1 2.77Å
1810A26.8Very low26.1Very low76 Ų76131.5 Ų131.563%0.62872%0.724SS**  trans85.6156143.200000123.4
1811F24Very low25.8Very low189 Ų189132.8 Ų132.883%0.82973%0.725SS**  trans69.4134.9175.9-69.4-111.1000115.1
1812L24.2Very low25.4Very low137 Ų137130.3 Ų130.372%0.71772%0.716SS**  cis-154.4173.414.4-121.1163.7000115.3
1813N24.9Very low25.8Very low135 Ų135128.1 Ų128.172%0.72271%0.711SS**  trans-49.6168.2162.2-52.6-41.5000112.8
1814S24Very low25.8Very low99 Ų99124.9 Ų124.969%0.69270%0.698SS**  cis-164.416231.755.60000114.6
1815Y23.3Very low25.5Very low211 Ų211125.5 Ų125.583%0.82769%0.692SS**  trans5.1130.5143.7-60.3-92.9000117.1
1816T23.2Very low25.3Very low114 Ų114121.9 Ų121.970%0.69968%0.681SS**  cis-159.4164.64950.30000109.3
1817N28.1Very low25.2Very low148 Ų148125 Ų12579%0.79170%0.698SS**  cis-151.6157.133.7-90.9-62.4000112.5
1818S23Very low25.5Very low106 Ų106129.4 Ų129.474%0.74171%0.71SS**  trans-106.3-165.5153.5-33.30000108
1819P35.7Very low25.5Very low110 Ų110132.5 Ų132.571%0.71472%0.721SS**  cis-126.5-173.9-34.637.9-23.6000111
1820L24.6Very low25.6Very low167 Ų167135 Ų13587%0.87474%0.735SS**  -163.3142127.7-111.2163.2000112.7
1821Y22.7Very low25.5Very low201 Ų201139.9 Ų139.979%0.78874%0.739SS**  trans-71.4163.5163.6-87.2-126.1000109
1822T23.5Very low25.5Very low109 Ų109136.4 Ų136.467%0.66973%0.729SS**  -162.2163.257.642.70000114
1823P33.5Very low25.5Very low105 Ų105137.1 Ų137.168%0.68273%0.728SS**  trans-107.2159.1172.839.7-32.4000114.7
1824T24.3Very low25.4Very low93 Ų93136 Ų13657%0.57173%0.73SS**  trans-156.4174.9152.65.60000112.5E1280E1280-T1824 HydrophobicContact CG-CG2 4.39Å; E1280-T1824 WeakPolarHBondContact CG-OG1 3.41Å; E1280-T1824 WeakPolarHBondContact OE1-CB 3.13Å; E1280-T1824 PolarHBondContact OE1-OG1 3.44Å
1825N24.9Very low25.4Very low132 Ų132139.2 Ų139.271%0.70673%0.732SS**  trans-98165.1-176.6-64.9-56.4000110.9
1826T25Very low25.4Very low96 Ų96135.7 Ų135.759%0.58973%0.726SS**  -167.115152.949.50000116.4
1827N23.7Very low25.5Very low154 Ų154136.5 Ų136.582%0.82473%0.726SS**  trans45.4113.2140.5-60.7-8.8000123.1
1828Q26.8Very low25.4Very low179 Ų179135 Ų13584%0.83672%0.717SS**  -163.8128.2124-101.8173.72.400107.5
1829L23.3Very low25.7Very low137 Ų137135.8 Ų135.872%0.71771%0.713SS**  48.9109.485.6-63.2166.5000111.1Y1831L1829-Y1831 HydrophobicContact CD2-CD2 4.01Å; L1829-Y1831 HydrophobicContact CD2-CE2 4.31Å
1830V28.8Very low25.2Very low136 Ų136136.7 Ų136.782%0.82471%0.713SS**  -136.5134.758.9170.90000110.1
1831Y24.6Very low25.4Very low180 Ų180135.8 Ų135.871%0.70670%0.704SS**  94.914953.7-123.3-90000115.6L1829L1829-Y1831 HydrophobicContact CD2-CD2 4.01Å; L1829-Y1831 HydrophobicContact CD2-CE2 4.31Å
1832N23.3Very low25.4Very low116 Ų116131.7 Ų131.762%0.6270%0.699SS**  trans-60.1160.4179-59.2-67.1000112.6
1833H25.5Very low25.5Very low152 Ų152133.3 Ų133.370%0.70470%0.702SS**  -165.6153.876.9-115.9-86.3000116.7F1835H1833-F1835 AromaticContact CE1-CE2 3.9Å; H1833-F1835 AromaticContact ND1-CD2 3.8Å; H1833-F1835 AromaticContact ND1-CE2 3.87Å
1834C21.5Very low25.1Very low111 Ų111134.1 Ų134.175%0.7571%0.705SS**  trans-99.3145.3151.8-58.70000110.1
1835F23.6Very low25.1Very low167 Ų167133.7 Ų133.773%0.73271%0.711SS**  trans-164.7134.7141.6-87.7-79.5000104.6H1833H1833-F1835 AromaticContact CE1-CE2 3.9Å; H1833-F1835 AromaticContact ND1-CD2 3.8Å; H1833-F1835 AromaticContact ND1-CE2 3.87Å
1836I24.2Very low25.1Very low137 Ų137134.4 Ų134.470%0.70372%0.715SS**  65.8122.963.9-69.1168.5000109.2
1837N24.8Very low25.2Very low131 Ų131137.7 Ų137.770%0.70173%0.729SS**  cis-161.5-170.420.1-144.440.6000114.1
1838N25.9Very low25.2Very low115 Ų115137.3 Ų137.362%0.61573%0.726SS**  trans73.1139.9159.6-72.446.6000118.3
1839D29.1Very low25.2Very low123 Ų123135.8 Ų135.866%0.65872%0.723SS**  cis-150.8162.6-8.3-85.2-33.5000112.1
1840D25.8Very low25.2Very low130 Ų130138.9 Ų138.970%0.69573%0.725SS**  trans3154.2156-69.4-41.4000122.9
1841H28.2Very low25Very low148 Ų148138.8 Ų138.869%0.68571%0.714SS**  cis-155.3144.19.2-107.5-6.6000108.5
1842V23.5Very low25Very low115 Ų115137.2 Ų137.270%0.69772%0.718SS**  62.7123.685145.50000113.1
1843I24.8Very low25Very low143 Ų143138.6 Ų138.673%0.73372%0.721SS**  cis-161.4168.917.427167.1000116.1
1844T24.8Very low25.1Very low121 Ų121140.8 Ų140.874%0.74273%0.731SS**  trans74.3106.8147.640.50000125.5
1845A24.7Very low25.2Very low84 Ų84141.9 Ų141.969%0.69473%0.729SS**  68.2132.4109.300000124.9
1846N25Very low25.2Very low147 Ų147142.2 Ų142.279%0.78673%0.732SS**  trans52.3115.9150.6-64.36.6000121.4
1847N26.7Very low25.4Very low165 Ų165144.7 Ų144.788%0.88274%0.741SS**  -169.3172.1101.9-102.9-33.6000114.6
1848I24.3Very low25.5Very low147 Ų147142.6 Ų142.675%0.75474%0.737SS**  trans-88.5145.1-176.9-69.8166.7000111.8
1849N27Very low25.4Very low147 Ų147145 Ų14579%0.78675%0.749SS**  trans4.7124.6161.5-55.9-23000118.9
1850R23.7Very low25.4Very low201 Ų201144.6 Ų144.676%0.75876%0.755SS**  -177.6139.2125.2-103.8-165.8167.8161.8-5.2113.2
1851F24.3Very low25.7Very low134 Ų134144.1 Ų144.159%0.58876%0.757SS**  trans57.4128.6155.7-71.2-117.1000117.5A574A574-F1851 VanDerWaalsContact O-CZ 3.28Å; A574-F1851 WeakPolarHBondContact O-CZ 3.39Å
1852N23.4Very low25.7Very low147 Ų147142.7 Ų142.779%0.78676%0.758SS**  cis65.9127.645.6-86.518.8000116.7
1853E24.4Very low26Very low146 Ų146143 Ų14368%0.68276%0.761SS**  trans65.793.2161.9-60.3-167.4148.900120.3
1854Q27.8Very low26.3Very low197 Ų197141.8 Ų141.892%0.92176%0.76SS**  -152.592.9124.7-102.9169.717.100106.3
1855L24.1Very low26.3Very low134 Ų134143.9 Ų143.970%0.70276%0.764SS**  50.4109.277.4-86.5172.9000115.3
1856H23.9Very low26.8Very low175 Ų175145 Ų14581%0.8176%0.764SS**  trans48.2102.1138.4-101.9-103.7000119.5
1857E27.8Very low27Very low188 Ų188141.8 Ų141.888%0.87976%0.758SS**  -175158.9118.9-101.6-177.1176.200110.1
1858S26.1Very low27.2Very low88 Ų88139.6 Ų139.662%0.61575%0.751SS**  -163.7151.6-52.6570000109.9
1859L24.5Very low27.5Very low166 Ų166138.8 Ų138.887%0.86975%0.752SS**  trans40.6107.2155.9-86.861.1000120.8
1860S29.3Very low27.8Very low113 Ų113137.3 Ų137.379%0.7975%0.749SS**  -172.5143.5120.241.20000109.5
1861T31.4Very low28.2Very low121 Ų121133.5 Ų133.574%0.74275%0.748SS**  cis-154.5127-10.910.10000107.2
1862V28.9Very low28.6Very low117 Ų117133 Ų13371%0.70976%0.756SS**  70.691.699.6167.30000114
1863T28.7Very low28.8Very low121 Ų121133.4 Ų133.474%0.74276%0.757SS**  97.7159.2111.857.20000114.1
1864T32Very low29.1Very low119 Ų119130.8 Ų130.873%0.7375%0.751SS**  cis-156.7144.59.4-9.50000106.4
1865M25.2Very low29.3Very low164 Ų164128.2 Ų128.281%0.80874%0.744SS**  55.114855.1-82.3-82.5107.900113.8
1866P34.8Very low29.6Very low109 Ų109128.4 Ų128.471%0.70874%0.741SS**  cis-141.6-159.717.942.7-21.9000115.8
1867A28.9Very low29.8Very low79 Ų79126.3 Ų126.365%0.65374%0.741SS**  trans81.9138.515000000119.3
1868T30.7Very low29.9Very low119 Ų119122.8 Ų122.873%0.7374%0.737SS**  cis-160150.3-25.40000113.5
1869T30.7Very low29.9Very low129 Ų129126.6 Ų126.679%0.79175%0.749SS**  trans63.6144.7154.5530000118.9
1870T33.7Very low29.8Very low117 Ų117127 Ų12772%0.71875%0.751SS**  cis-138.6139.116.344.30000114.6
1871T32.4Very low29.9Very low121 Ų121128 Ų12874%0.74276%0.758SS**  trans18.1142140.958.20000121.1
1872T32.5Very low29.8Very low122 Ų122128.4 Ų128.475%0.74876%0.759SS**  cis-167.21396.512.50000107
1873L26.9Very low29.8Very low156 Ų156129 Ų12982%0.81776%0.761SS**  62.2133.251-117.977.4000113.3
1874V30.3Very low29.9Very low91 Ų91129.4 Ų129.455%0.55276%0.763SS**  cis-147.8146.711.7-1440000108
1875N31.7Very low29.8Very low144 Ų144130.1 Ų130.177%0.7776%0.764SS**  163.3154.993.5-89.1-38000108.4
1876H30.3Very low30Very low137 Ų137127.9 Ų127.963%0.63476%0.762SS**  cis-169.6121.7-34.8-141.4-71.9000108.1
1877T29.1Very low29.7Very low131 Ų131129.2 Ų129.280%0.80477%0.765SS**  trans59.3148.7162.739.80000119
1878S29.1Very low29.8Very low115 Ų115132.8 Ų132.880%0.80477%0.773SS**  cis-139.8165.712.551.40000111.9
1879I26.3Very low29.7Very low168 Ų168133.8 Ų133.886%0.86278%0.777SS**  trans-118.2120.1-176.9-65.5169.6000108.8
1880L23.3Very low29.6Very low174 Ų174134.3 Ų134.391%0.91178%0.775SS**  trans-171.488.4160.1-118.1173.7000111.9
1881S30.2Very low29.3Very low135 Ų135135.8 Ų135.894%0.94478%0.781SS**  trans174.10155.659.40000112Y606Y606-S1881 WeakPolarHBondContact CE1-OXT 3.46Å

Retrieved 1,881 of 1,881 residues in 263.4 ms (Link to these results)