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Isoform Tau-E of Microtubule-associated protein tau AlphaSync

Canonical isoform description: Promotes microtubule assembly and stability, and might be involved in the establishment and maintenance of neuronal polarity. The C-terminus binds axonal microtubules while the N-terminus binds neural plasma membrane components, suggesting that tau functions as a linker protein between both. Axonal polarity is predetermined by tau localization (in the neuronal cell) in the domain of the cell body defined by the centrosome. The short isoforms allow plasticity of the cytoskeleton whereas the longer isoforms may preferentially play a role in its stabilization.

AlphaFold DB , UniProt , Accession P10637-6 (canonical: P10637), Species MOUSE (Mus musculus, Mouse), Gene Mapt, Length 350 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.3Low59.3Low237 Ų237166.5 Ų166.5100%1.16785%0.853SS**  091.50-73.880.1166.200106.8
2A57.9Low58.6Low99 Ų99167.3 Ų167.382%0.81885%0.85SS**  82.493.19500000111.7
3D57.8Low57.9Low151 Ų151163.8 Ų163.881%0.80784%0.835SS**  trans-71.4164.6155.6-92.9-31.7000109.9
4P71.3Confident57.2Low127 Ų127163.4 Ų163.483%0.82583%0.828SS**  -132.2134.4119.133.9-22.7000113.7
5R62.5Low56.7Low223 Ų223159.2 Ų159.284%0.84283%0.828SS**PPolyproline II helixtrans-62.4142.3167.1-73.8170.6148.4169.3-9111.6
6Q61.6Low56.2Low175 Ų175153.7 Ų153.782%0.81882%0.822SS**PPolyproline II helixtrans-96.8121.6151.5-81.4178.14.400108.1
7E59.4Low55.5Low171 Ų171153.9 Ų153.980%0.79982%0.823SS**PPolyproline II helixtrans-78.6127.8167.8-69.5-179.6155.600109
8F59.1Low54.8Low177 Ų177156.2 Ų156.278%0.77682%0.82SS**  trans-120.2109154.2-90.9-88.6000106.4T10F8-T10 PolarHBondContact O-N 3.23Å
9D49.7Very low54.7Low161 Ų161155.7 Ų155.786%0.86182%0.824SS**  trans-60.1114.5164.1-85.2-57.5000108.8
10T60.9Low54.2Low116 Ų116155 Ų15571%0.71282%0.82SS**  trans-130.3116.6161.2-40.10000106.9F8 E12F8-T10 PolarHBondContact O-N 3.23Å; T10-E12 PolarHBondContact O-N 3.47Å
11M60.6Low54Low194 Ų194155.5 Ų155.596%0.95682%0.822SS**  trans-63.7119.9177-79167.3171.200110.1
12E50.9Low53.7Low176 Ų176151.1 Ų151.182%0.82280%0.799SS**  trans-140.5115.9165.3-122.7159.3156.600110.3T10T10-E12 PolarHBondContact O-N 3.47Å
13D50.2Low53.6Low122 Ų122154.4 Ų154.465%0.65280%0.803SS**  trans65.8121.7133.6-139.1-1.7000120
14H47.6Very low53.1Low159 Ų159155.3 Ų155.374%0.73680%0.802SS**  163.4147.1106.1-86.5-44000114.7
15A48.9Very low51.9Low100 Ų100159 Ų15983%0.82681%0.808SS**  trans73.6120.9156.600000116
16G48.9Very low51.1Low71 Ų71152.1 Ų152.173%0.73281%0.807SS**  cis111.996.131.800000107.5
17D44.9Very low50.6Low157 Ų157149.8 Ų149.884%0.8480%0.8SS**  trans-151.8142.6151.1-15713000111.2
18Y43.3Very low50.4Low196 Ų196148.9 Ų148.977%0.76980%0.798SS**  trans-92.9146.7-165.1-65.2-107.4000109.8
19T51.7Low50Low147 Ų147146.5 Ų146.590%0.90279%0.793SS**  trans-170.7102.4137.228.40000112.7
20L44.9Very low49.8Very low141 Ų141146.5 Ų146.574%0.73879%0.788SS**  trans-8.1127.9143.6-17369.2000119.8
21L51.1Low49Very low165 Ų165144 Ų14486%0.86479%0.785SS**  trans-174.893.9147.6-97.9145.7000105.8
22Q44.5Very low48.4Very low145 Ų145142.8 Ų142.868%0.67878%0.782SS**  73.875.164.2-154.8164.581.800113.3
23D55.7Low48Very low168 Ų168143.9 Ų143.990%0.89878%0.784SS**  trans-92.6121.4161.8-70.1-37.5000109.5
24Q47.9Very low47.7Very low170 Ų170142.4 Ų142.479%0.79479%0.789SS**  trans-86.6134.3175.5-73.217433.900109.9
25E45.7Very low47.4Very low204 Ų204146.3 Ų146.395%0.95380%0.797SS**  trans-169.9114147.5-105.7167-155.200108.1
26G46.1Very low47.4Very low80 Ų80148.5 Ų148.583%0.82580%0.8SS**  trans163.341.7-17900000117
27D51.2Low47.3Very low126 Ų126148.9 Ų148.967%0.67480%0.796SS**  trans6.2132.2142.1-152.238.7000121.6
28M55Low47.2Very low152 Ų152147 Ų14775%0.74980%0.795SS**  trans65.1107.2148.2-72.6175.8-140.800121
29D50.3Low47.6Very low127 Ų127146.1 Ų146.168%0.67980%0.795SS**  76.8133.490.5-126.15.6000112.9
30H45.5Very low47.1Very low160 Ų160144.9 Ų144.974%0.74178%0.783SS**  cis-148.5144.913.9-83-69.9000105.5
31G44.8Very low47.1Very low64 Ų64149.7 Ų149.766%0.6679%0.791SS**  78.1118.276.500000112.6
32L46.4Very low46.8Very low168 Ų168149.2 Ų149.288%0.8880%0.795SS**  trans138.298.2152.8-71.3168.9000110.6
33K43Very low46.7Very low199 Ų199145.8 Ų145.887%0.86580%0.799SS**  83.3100.764.2-165.5-178.8-162175.60113.7
34A44.3Very low46.3Very low92 Ų92145 Ų14576%0.7680%0.795SS**  trans168.211014100000108.5
35R42.3Very low46.2Very low240 Ų240143.3 Ų143.391%0.90679%0.791SS**  57.914279.9-80.2-166.8176175.1-0.3115.1
36V48.2Very low46Very low146 Ų146140.9 Ų140.989%0.88578%0.78SS**  trans96.5125166.3-168.50000112.5
37A46.4Very low46.2Very low80 Ų80145.6 Ų145.666%0.66178%0.778SS**  cis-167.7158.12.500000111.6
38S44Very low45.7Very low116 Ų116149.3 Ų149.381%0.81179%0.788SS**  trans44.8121140.9-52.20000119.4
39K50Low45.3Very low179 Ų179146.3 Ų146.378%0.77879%0.787SS**  cis63.511143.8-161.3148.7-172.41680116.4
40D42.7Very low45.1Very low121 Ų121150.5 Ų150.565%0.64780%0.799SS**  trans75.6120.2160.3-55.5-29.1000119.9
41R44.4Very low44.8Very low242 Ų242146.1 Ų146.191%0.91380%0.797SS**  161.8122.8100.3-81.7-177-167.6-174.52.1112.3
42T43.9Very low45Very low154 Ų154147.5 Ų147.595%0.94580%0.803SS**  trans-132.3108.6146.847.70000107.2
43G43.9Very low44.9Very low73 Ų73147.4 Ų147.475%0.75380%0.803SS**  trans-172.9110.5178.700000111.1
44N47.3Very low45Very low152 Ų152141.9 Ų141.981%0.81380%0.802SS**  trans57.4116162-83.36.8000122.3
45D45Very low45.1Very low135 Ų135146.9 Ų146.972%0.72281%0.807SS**  26124.6123.6-67.8-74000121.8
46E41.5Very low45.1Very low152 Ų152142 Ų14271%0.7180%0.804SS**  trans51.2100.9134.9-92.7-166.188.200120.8
47K50.2Low44.8Very low179 Ų179138.9 Ų138.978%0.77880%0.801SS**  161.1118.7104.3-89.4163.5-173.6170.70113.5
48K41.3Very low44.8Very low205 Ų205138.6 Ų138.689%0.89180%0.799SS**  trans67.9114.4130.6-159.9164.8-177.8178.30121.2
49A46Very low45Very low88 Ų88142.2 Ų142.273%0.72780%0.8SS**  trans103105.7134.600000122.1
50K46.5Very low44.8Very low216 Ų216141.8 Ų141.894%0.93980%0.804SS**  86.6118111.1-153.7174.5-173.3-179.70121.3
51G39.8Very low44.9Very low68 Ų68139.8 Ų139.870%0.70180%0.804SS**  trans111.3105.2148.700000115.6
52A47.8Very low45Very low93 Ų93135 Ų13577%0.76980%0.803SS**  69.413988.200000112.9
53D43.9Very low45.1Very low165 Ų165133.1 Ų133.188%0.88279%0.793SS**  cis-176.9154.4-7.8-104.5-69000103.2
54G45.7Very low44.7Very low83 Ų83141.6 Ų141.686%0.85680%0.802SS**  trans155.811316400000118.8
55K46Very low44.3Very low198 Ų198138.3 Ų138.386%0.86180%0.804SS**  trans-102.7174.9-175-177.5172.6-176.3171.10111.5
56T42.6Very low43.9Very low138 Ų138136.7 Ų136.785%0.84781%0.809SS**  trans105.2118.6163.770.60000113.8
57G42.5Very low43.9Very low79 Ų79134.3 Ų134.381%0.81482%0.815SS**  121.5159.567.500000106.2
58A46.7Very low43.5Very low74 Ų74131.2 Ų131.261%0.61282%0.816SS**  cis-170.8167.7-20.800000105.8
59K47.4Very low43.8Very low193 Ų193127.4 Ų127.484%0.83981%0.813SS**  trans68.9145148.448-127.2173-174.70124.2
60I45.5Very low43.5Very low169 Ų169128.1 Ų128.187%0.86782%0.819SS**  trans123.8137.7157.5-62.8159.1000110.8
61A44.6Very low43.4Very low79 Ų79127.3 Ų127.365%0.65382%0.818SS**  cis-177.1122.2-35.600000105.9
62T46.6Very low43.6Very low143 Ų143134 Ų13488%0.87783%0.828SS**  trans47.5148.9136.1-13.70000123
63P45.9Very low43.1Very low114 Ų114132.7 Ų132.774%0.7482%0.824SS**  trans-118.5-167.7-16142.1-25.6000115.4
64R35.4Very low43.4Very low251 Ų251131.5 Ų131.595%0.94782%0.823SS**  trans94.1129.5151.9-149.3177.3-165.3168.93.5117.9
65G40.2Very low43Very low82 Ų82132.4 Ų132.485%0.84582%0.816SS**  trans-17498.8165.900000112.2
66A36.5Very low42.8Very low101 Ų101130.4 Ų130.484%0.83581%0.814SS**  trans-103.2137163.900000108
67A41Very low42.7Very low102 Ų102127.9 Ų127.984%0.84381%0.807SS**  trans-166.7116.2162.100000111.2
68S42Very low42.8Very low114 Ų114129.8 Ų129.880%0.79780%0.803SS**  trans-77.8-172.5141-38.20000107.9
69P46.6Very low42.4Very low126 Ų126138.3 Ų138.382%0.81882%0.82SS**  cis-132.2178.1-10.538.1-20000112.3
70A41.3Very low42.7Very low103 Ų103136.2 Ų136.285%0.85182%0.816SS**  trans-166.6119.1156.500000114.5
71Q43.9Very low42.5Very low198 Ų198133.2 Ų133.293%0.92581%0.808SS**  trans-71.7144.7159.3-70.2171.3-64.200111
72K44Very low42Very low208 Ų208134.2 Ų134.290%0.90482%0.816SS**  trans-108127.1153.2-75179-176.3177.60105.9
73G37.4Very low41.7Very low66 Ų66136.7 Ų136.768%0.6882%0.815SS**  77.1115.963.300000107.6
74T49Very low41.3Very low141 Ų141136.4 Ų136.487%0.86581%0.811SS**  -162.7150.552.450.30000113.1
75S38.7Very low41.9Very low101 Ų101131.3 Ų131.371%0.70681%0.808SS**  trans-55.3148.2168.146.80000116.4
76N40.2Very low42Very low156 Ų156132.8 Ų132.883%0.83480%0.802SS**  trans-176.4100.9139.2-90.3-19.9000107.5
77A41.3Very low42.1Very low85 Ų85133 Ų13370%0.70280%0.798SS**  56.6110.381.800000113.3
78T43.7Very low42.2Very low119 Ų119133.1 Ų133.173%0.7379%0.79SS**  trans152.194.8131.1-57.80000110.3I80T78-I80 HydrophobicContact CG2-CD1 4.15Å; T78-I80 HydrophobicContact CG2-CG1 3.64Å
79R39.8Very low42.1Very low254 Ų254136.7 Ų136.796%0.95879%0.791SS**  trans-73.8124.6157.6-88.7-175-171.7-152.20.9107.7
80I52.5Low41.6Very low148 Ų148137.2 Ų137.276%0.75979%0.792SS**  trans-103.3145.8174.1-63.9-172.5000108.8T78T78-I80 HydrophobicContact CG2-CD1 4.15Å; T78-I80 HydrophobicContact CG2-CG1 3.64Å
81P42.5Very low41.7Very low107 Ų107137.8 Ų137.870%0.69579%0.787SS**  trans-111.2166.1-134.140-33.2000114.9
82A32.7Very low41.7Very low99 Ų99134.5 Ų134.582%0.81878%0.783SS**  trans-69.4125.4165.400000111.1
83K41.6Very low41.2Very low196 Ų196127.8 Ų127.885%0.85277%0.773SS**  trans-104.5104.9165.4-109.9-168.7160.4178.40107.2
84T37.8Very low41Very low107 Ų107130.8 Ų130.866%0.65678%0.784SS**  58.4115.689.466.60000115.3
85T46.6Very low40.4Very low145 Ų145127.9 Ų127.989%0.8978%0.782SS**  -132.9136.9127.731.50000109
86P43.2Very low40.5Very low112 Ų112131.9 Ų131.973%0.72779%0.789SS**  trans-106.6155.3-170.331.2-14.6000114.4
87S39.4Very low40.9Very low105 Ų105129.2 Ų129.273%0.73478%0.78SS**  trans-24.6-174.9150.151.10000119.3
88P41.6Very low41.1Very low106 Ų106130 Ų13069%0.68878%0.778SS**  cis-139.4179.8-1621.74.2000114.9
89K40.6Very low40.7Very low189 Ų189133.8 Ų133.882%0.82279%0.785SS**  153.4102.8128.8-81.3173.3-178.2-178.90115.5
90T35.9Very low40.8Very low137 Ų137127 Ų12784%0.8478%0.776SS**  24.6161.3128.5170000124.5
91P44.4Very low40Very low115 Ų115123.8 Ų123.875%0.74778%0.78SS**  trans-111.5-149.1-142.840.1-17.2000111.9
92P43Very low39.8Very low128 Ų128127.6 Ų127.683%0.83179%0.788SS**  cis-133.1-170.3-7.240.9-20.4000114.4
93G33.6Very low40Very low67 Ų67134.3 Ų134.369%0.69179%0.792SS**  trans134.1108.714900000119.6
94S33.2Very low40Very low130 Ų130130.2 Ų130.291%0.90979%0.788SS**  trans24.7133.3142.8670000122.3
95G36Very low40.2Very low80 Ų80129 Ų12983%0.82580%0.797SS**  trans168.597.715500000113.6
96E41.6Very low40.2Very low185 Ų185132.1 Ų132.186%0.86479%0.794SS**  trans-72.4-174.6-178.7-132.8-160.9113.500113.1
97P48.2Very low40.3Very low99 Ų99131.4 Ų131.464%0.64379%0.792SS**  -112-138.2-127.139.4-16.1000109.9
98P45.5Very low40.7Very low102 Ų102131.3 Ų131.366%0.66279%0.791SS**  cis-136.7-171.2-17.832.6-9.6000113.8
99K36.4Very low41.1Very low199 Ų199132.4 Ų132.487%0.86580%0.798SS**  trans129.9139.1156.6-73.7165.6-178.4175.30110.4
100S41.2Very low40.9Very low111 Ų111127.2 Ų127.278%0.77680%0.798SS**  cis-162.1141.517.338.20000108.9
101G35.8Very low41.2Very low81 Ų81126.1 Ų126.184%0.83580%0.796SS**  trans-82149.2165.500000111.4
102E38.2Very low41.4Very low187 Ų187127 Ų12787%0.87480%0.802SS**  trans-123.7157.4169-69-168.7131.800109.4
103R37.4Very low41.1Very low240 Ų240124.6 Ų124.691%0.90680%0.801SS**  trans94.5126.4158.3-140.6170.1-164.4-146.12.4114.9
104S40.9Very low41.9Very low110 Ų110127.9 Ų127.977%0.76981%0.808SS**  cis-173.2134.4-8.746.10000106.5
105G41.5Very low42.4Very low82 Ų82127.8 Ų127.885%0.84580%0.804SS**  trans-128.2119.9165.700000108.4
106Y47.6Very low42.6Very low209 Ų209127.4 Ų127.482%0.8280%0.8SS**  trans-94.6143.1-16966.6-78.6000112
107S44.5Very low42.8Very low98 Ų98123.7 Ų123.769%0.68579%0.794SS**  trans67140.4141.6-59.40000120.4
108S48.8Very low42.4Very low103 Ų103130.3 Ų130.372%0.7281%0.807SS**  cis174.9-174.34.7-87.80000105
109P48.3Very low42.3Very low129 Ų129129.8 Ų129.884%0.83881%0.805SS**  -137173.5-65.340.3-23.2000112.9
110G36.9Very low42.6Very low79 Ų79130.9 Ų130.981%0.81480%0.804SS**  trans13996.9150.200000118.9
111S42.5Very low42.4Very low115 Ų115131.9 Ų131.980%0.80481%0.805SS**  trans-88.4-162.8159.9-390000110.2
112P47.8Very low42.9Very low132 Ų132133.4 Ų133.486%0.85780%0.801SS**  cis-141-178.1-18.731.4-8.3000114.7
113G36.7Very low43.2Very low79 Ų79129.8 Ų129.881%0.81480%0.796SS**  trans150.996.4149.800000119.1
114T51.7Low43.9Very low136 Ų136125.9 Ų125.983%0.83479%0.792SS**  trans-90.4156.2152.950.80000109.3
115P43.5Very low44.1Very low128 Ų128126.2 Ų126.283%0.83179%0.791SS**  -161.5165.3100.337.7-17000118
116G40.7Very low44.5Very low71 Ų71128.3 Ų128.373%0.73279%0.788SS**  trans90.1151.6144.300000116.6
117S45.7Very low45.1Very low108 Ų108123.9 Ų123.976%0.75579%0.785SS**  cis-177.8139.9-9.4-1070000105.1
118R38.1Very low45.6Very low238 Ų238124.3 Ų124.390%0.89879%0.786SS**  trans41.2138.7140.2-67.9176.5174.2-179.2-1.6118.5
119S45.3Very low45.4Very low90 Ų90125.2 Ų125.263%0.62979%0.787SS**  cis179.3147.326.9-103.70000108.7
120R41.9Very low45.5Very low223 Ų223129.3 Ų129.384%0.84279%0.786SS**  trans43.6129.3130.4-56.1-174.7-151.8-167.94.5122.5
121T37.5Very low46.5Very low131 Ų131132.6 Ų132.680%0.80478%0.78SS**  trans85.4160.913962.80000119.4
122P46.3Very low46.8Very low114 Ų114131.7 Ų131.774%0.7477%0.771SS**  -135.2-172.9-77.737-15.9000114.5
123S44.2Very low46.7Very low110 Ų110134.7 Ų134.777%0.76977%0.771SS**  trans98.8118.3155.773.70000121.4
124L51.4Low47.3Very low158 Ų158140.5 Ų140.583%0.82777%0.773SS**  trans28.6163138.1-98.469.4000121.8
125P45.8Very low47Very low117 Ų117141.1 Ų141.176%0.7678%0.777SS**  cis-132.6152.51131.9-9.6000117.4
126T49.6Very low47.4Very low127 Ų127139.1 Ų139.178%0.77977%0.771SS**  trans-60.9164.3162.68.30000111.9
127P59.3Low48.3Very low115 Ų115141.6 Ų141.675%0.74777%0.772SS**  cis-157-152.448.341.6-16.3000114.4
128P56.7Low48.7Very low108 Ų108142.4 Ų142.470%0.70177%0.772SS**  cis-123.4144.3-35.520.42000115.4
129T44.3Very low49.6Very low122 Ų122141.8 Ų141.875%0.74877%0.77SS**  trans3.4132.1137.756.90000121.4
130R50Low50.4Low215 Ų215143.2 Ų143.281%0.81178%0.775SS**  169.8105.197.6-92.2-161.2145.1-169.4-0.1113.5
131E56.9Low51.6Low147 Ų147137.9 Ų137.969%0.68777%0.769SS**  17.5168122.569.2-16713800122.7
132P49.4Very low53.1Low97 Ų97137.9 Ų137.963%0.6377%0.771SS**  -136.6170.6-62.538.1-20.9000111.8
133K46.1Very low53.9Low194 Ų194142.3 Ų142.384%0.84378%0.779SS**  trans151.5135.8138.3-83.1160.4-177.2174.30114.3
134K49.3Very low55.3Low201 Ų201142.3 Ų142.387%0.87478%0.779SS**  trans90.2102.4158.1-72.1-178174.9-172.90119
135V45.9Very low56.2Low149 Ų149140.7 Ų140.790%0.90378%0.778SS**  trans-56.3127.1160.9-178.50000110.3
136A51.9Low57.1Low87 Ų87141 Ų14172%0.71978%0.783SS**  trans-131132.8165.400000109.1V138A136-V138 PolarHBondContact O-N 3.28Å
137V58.3Low57.9Low123 Ų123139.3 Ų139.375%0.74578%0.781SS**  trans-58.3116.7-171.7171.90000111.6R139V137-R139 HydrophobicContact CG1-CG 4.27Å
138V55.1Low57.9Low125 Ų125139.2 Ų139.276%0.75878%0.784SS**  trans-92.1108.9167.8178.60000108.2A136A136-V138 PolarHBondContact O-N 3.28Å
139R56.8Low58Low225 Ų225144.5 Ų144.585%0.84980%0.796SS**  trans-82.8114.7164.1-75.3-179.2154.6104.8-2.6107.6V137V137-R139 HydrophobicContact CG1-CG 4.27Å
140T61.5Low58.9Low120 Ų120143.8 Ų143.874%0.73680%0.796SS**PPolyproline II helixtrans-73.9135.7176.643.20000110.7
141P67.9Low59.4Low111 Ų111144.7 Ų144.772%0.72180%0.799SS**PPolyproline II helixtrans-66.3145.1173.125.8-31.1000110.4K143P141-K143 PolarHBondContact O-N 3.38Å
142P68.7Low59.7Low131 Ų131145.6 Ų145.685%0.85181%0.808SS**PPolyproline II helixtrans-71.3119.3-173.829-32.9000110.4
143K63.9Low60.5Low207 Ų207149.9 Ų149.990%0.982%0.819SS**  trans-94.6112.2166.2-86.9176172.3173.60108.6P141P141-K143 PolarHBondContact O-N 3.38Å
144S71.7Confident61.5Low109 Ų109147.1 Ų147.176%0.76282%0.819SS**PPolyproline II helixtrans-74.1137.5166.833.80000110.1
145P71.4Confident62.4Low125 Ų125141.7 Ų141.781%0.81281%0.812SS**PPolyproline II helixtrans-72135.3177.327.1-31000111.1A147P145-A147 PolarHBondContact O-N 3.05Å
146S65.5Low63.5Low123 Ų123140.5 Ų140.586%0.8681%0.807SS**PPolyproline II helixtrans-64.6125.2171.6-175.50000110S148S146-S148 PolarHBondContact O-N 3.44Å
147A65.4Low64.5Low91 Ų91142 Ų14275%0.75281%0.807SS**  trans-83.2111.2-177.600000111.3P145P145-A147 PolarHBondContact O-N 3.05Å
148S59.9Low65.5Low114 Ų114141.9 Ų141.980%0.79781%0.808SS**  trans-73.5120.8164.2440000109.7S146 S150S146-S148 PolarHBondContact O-N 3.44Å; S148-S150 PolarHBondContact O-N 3.25Å
149K58.5Low66.5Low218 Ų218144.4 Ų144.495%0.94881%0.814SS**  trans-7690.5176.3-71.9174.5-177.9169.30109.6
150S62.2Low67.7Low107 Ų107138.8 Ų138.875%0.74881%0.807SS**  trans-115.3115.2162.9-172.80000108.7S148 L152S148-S150 PolarHBondContact O-N 3.25Å; S150-L152 PolarHBondContact O-N 3.21Å
151R61.4Low68.6Low235 Ų235138.6 Ų138.689%0.88780%0.801SS**  trans-80.1110.9-179.9176.7176.5-100.7176.1-7.1108.4Q153R151-Q153 PolarHBondContact O-N 3.05Å
152L62.5Low69.3Low166 Ų166139.6 Ų139.687%0.86980%0.8SS**PPolyproline II helixtrans-55.9121.2167.9-84.2145000109.6S150S150-L152 PolarHBondContact O-N 3.21Å
153Q67.2Low70Confident187 Ų187141.4 Ų141.487%0.87479%0.794SS**PPolyproline II helixtrans-80.2129172.1-68.4-179.6-13.500109.1R151R151-Q153 PolarHBondContact O-N 3.05Å
154T66.1Low70.8Confident135 Ų135138.3 Ų138.383%0.82879%0.788SS**PPolyproline II helixtrans-80.313717232.70000110.4
155A69.1Low71.3Confident88 Ų88138.7 Ų138.773%0.72779%0.785SS**PPolyproline II helixtrans-58.6140-18000000111.4V157A155-V157 VanDerWaalsContact C-N 3.34Å; A155-V157 PolarHBondContact O-N 3.31Å
156P68.2Low71.7Confident124 Ų124143.4 Ų143.481%0.80579%0.787SS**SBendtrans-82.14.4-162.730.3-33.9000115.9
157V73.2Confident72.5Confident118 Ų118141.5 Ų141.572%0.71577%0.774SS**SBendtrans-161.2138.1179.7-107.70000112.1A155A155-V157 VanDerWaalsContact C-N 3.34Å; A155-V157 PolarHBondContact O-N 3.31Å
158P79.4Confident73.3Confident120 Ų120147.4 Ų147.478%0.77978%0.782SS**PPolyproline II helixtrans-70.1146.1170.129.6-32.6000110.9
159M76.7Confident74.1Confident178 Ų178148.2 Ų148.288%0.87778%0.777SS**PPolyproline II helixtrans-62.7127.7179.5-165.4-177.8-43.300110.3
160P80.7Confident74.8Confident108 Ų108139.3 Ų139.370%0.70175%0.747SS**PPolyproline II helixtrans-65.4138.5-177.823.3-30.8000111.4
161D80.7Confident74.9Confident115 Ų115138.7 Ų138.762%0.61574%0.742SS**PPolyproline II helixtrans-88.7117.6-173.3-165.544.9000111.8K163D161-K163 VanDerWaalsContact CG-CG 3.43Å; D161-K163 WeakPolarHBondContact OD1-CE 3.29Å; D161-K163 WeakPolarHBondContact OD1-CG 3.06Å; D161-K163 VanDerWaalsContact OD2-CG 3.29Å; D161-K163 WeakPolarHBondContact OD2-CG 2.94Å
162L83.8Confident75.7Confident132 Ų132131.7 Ų131.769%0.69173%0.726SS**  trans-109.422.1-176.6-63.1176000113.2N164 V165L162-N164 PolarHBondContact O-N 2.86Å; L162-V165 HydrophobicContact CB-CG2 4.27Å; L162-V165 HydrophobicContact CD2-CG2 4.33Å
163K82.1Confident76.4Confident169 Ų169131 Ų13174%0.73572%0.718SS**THydrogen-bonded Turntrans-66.3-16.8-168.1-55.1-81.6176.6179.30113.7D161D161-K163 VanDerWaalsContact CG-CG 3.43Å; D161-K163 WeakPolarHBondContact OD1-CE 3.29Å; D161-K163 WeakPolarHBondContact OD1-CG 3.06Å; D161-K163 VanDerWaalsContact OD2-CG 3.29Å; D161-K163 WeakPolarHBondContact OD2-CG 2.94Å
164N80.8Confident77.1Confident142 Ų142126.4 Ų126.476%0.75970%0.699SS**THydrogen-bonded Turntrans-120.923.1-169.8-63.1-50000114.4L162 R166L162-N164 PolarHBondContact O-N 2.86Å; N164-R166 PolarHBondContact O-N 2.87Å
165V82.4Confident77.8Confident118 Ų118126.6 Ų126.672%0.71570%0.695SS**  trans-70.8112.2173.4-178.10000109.4L162L162-V165 HydrophobicContact CB-CG2 4.27Å; L162-V165 HydrophobicContact CD2-CG2 4.33Å
166R79.4Confident78.5Confident223 Ų223132.4 Ų132.484%0.84270%0.704SS**  trans-99.7154.8174.7-64.7-170.5-165.5163.65.1111.6N164N164-R166 PolarHBondContact O-N 2.87Å
167S82.2Confident79.3Confident83 Ų83132.5 Ų132.558%0.5869%0.693SS**  trans-66.5141.7176.656.30000112I169S167-I169 VanDerWaalsContact C-N 3.31Å
168K81.9Confident79.9Confident215 Ų215134.6 Ų134.694%0.93570%0.695SS**SBendtrans-82.1-7.5172.8-60.7-177.7-179.6-179.10113.6
169I77.8Confident80.1Confident132 Ų132133 Ų13368%0.67769%0.685SS**SBendtrans-91.7118.7-179.9-60.9167.7000107.5S167 S171S167-I169 VanDerWaalsContact C-N 3.31Å; I169-S171 PolarHBondContact O-N 3.03Å
170G73.9Confident80.6Confident31 Ų31128.3 Ų128.332%0.3268%0.682SS.*G310 helixtrans-64.813.6-176.400000115.8T172 E173G170-T172 PolarHBondContact O-N 2.98Å; G170-E173 WeakPolarHBondContact O-CB 3.33Å; G170-E173 VanDerWaalsContact O-CD 3.22Å; G170-E173 WeakPolarHBondContact O-CG 3.37Å; G170-E173 PolarHBondContact O-N 2.92Å
171S64.4Low80.8Confident93 Ų93127 Ų12765%0.6569%0.688SS**G310 helixtrans-59.8-19.5-179.3-1650000113.1I169I169-S171 PolarHBondContact O-N 3.03Å
172T76.3Confident81.1Confident89 Ų89125 Ų12555%0.54670%0.695SS.*G310 helixtrans-80-12.6173.855.70000114.2G170 L175G170-T172 PolarHBondContact O-N 2.98Å; T172-L175 WeakPolarHBondContact O-CD1 3.03Å; T172-L175 WeakPolarHBondContact O-CG 3.37Å
173E78.7Confident81.1Confident150 Ų150129 Ų12970%0.70171%0.707SS**THydrogen-bonded Turntrans-78.9-23.3-177.283.4-154.4149.800112.8G170G170-E173 WeakPolarHBondContact O-CB 3.33Å; G170-E173 VanDerWaalsContact O-CD 3.22Å; G170-E173 WeakPolarHBondContact O-CG 3.37Å; G170-E173 PolarHBondContact O-N 2.92Å
174N80.3Confident81.1Confident91 Ų91127.5 Ų127.549%0.48771%0.711SS.*THydrogen-bonded Turntrans-100.510.4-176.5-73.9-70.1000114.1K176 H177N174-K176 PolarHBondContact O-N 3.05Å; N174-H177 HydrophobicContact CB-CB 4.2Å; N174-H177 WeakPolarHBondContact O-CB 3.39Å; N174-H177 PolarHBondContact O-N 3.19Å
175L81.8Confident81.4Confident140 Ų140128.7 Ų128.773%0.73371%0.712SS**THydrogen-bonded Turntrans-59.8-23.1-176.5-68169.9000114.2T172T172-L175 WeakPolarHBondContact O-CD1 3.03Å; T172-L175 WeakPolarHBondContact O-CG 3.37Å
176K84.3Confident81.5Confident210 Ų210129.8 Ų129.891%0.91371%0.712SS**THydrogen-bonded Turntrans-105.72176.8-59.9-177.4-177.6-179.70112.9N174 Q178N174-K176 PolarHBondContact O-N 3.05Å; K176-Q178 PolarHBondContact O-N 3.24Å
177H85.5Confident81.7Confident126 Ų126124.9 Ų124.958%0.58370%0.702SS**  trans-76.595.2177.6-175.469.6000109.1N174N174-H177 HydrophobicContact CB-CB 4.2Å; N174-H177 WeakPolarHBondContact O-CB 3.39Å; N174-H177 PolarHBondContact O-N 3.19Å
178Q84.2Confident81.8Confident162 Ų162127.8 Ų127.876%0.75771%0.711SS**PPolyproline II helixtrans-81.3120.8161.5-170.564.438.900107.2K176 G180K176-Q178 PolarHBondContact O-N 3.24Å; Q178-G180 PolarHBondContact O-N 3.32Å
179P84.3Confident82Confident87 Ų87126.1 Ų126.157%0.56570%0.703SS**PPolyproline II helixtrans-57.2127.5176.423.6-33.6000108.8G181P179-G181 PolarHBondContact O-N 3.46Å
180G86.1Confident82.4Confident79 Ų79129.6 Ų129.681%0.81471%0.714SS**PPolyproline II helixtrans-61.2123.3178.800000110.1Q178Q178-G180 PolarHBondContact O-N 3.32Å
181G86.2Confident82.9Confident80 Ų80135.2 Ų135.283%0.82574%0.736SS**PPolyproline II helixtrans-82.2141.3164.500000110.4P179P179-G181 PolarHBondContact O-N 3.46Å
182G85.8Confident83.9Confident74 Ų74136.5 Ų136.576%0.76374%0.735SS**PPolyproline II helixtrans-95.7140.4169.100000111
183K83.9Confident84.4Confident216 Ų216138 Ų13894%0.93974%0.739SS**  trans-97.8104.8167.2-68.6-176-178-176.40108.3
184V83.9Confident84.9Confident136 Ų136135.7 Ų135.782%0.82474%0.739SS**  trans-98.3117.2170.5-179.30000107.9
185Q85.5Confident85.2Confident167 Ų167138.3 Ų138.378%0.7875%0.754SS**  trans-107.5117.4172.4-17217311.300108.6I187Q185-I187 HydrophobicContact CG-CG1 4.39Å; Q185-I187 PolarHBondContact O-N 3.43Å
186I84.2Confident85.5Confident142 Ų142137.1 Ų137.173%0.72875%0.752SS**  trans-83.3111.8172.1-58.9174.7000107
187I85Confident85.5Confident120 Ų120135.2 Ų135.262%0.61575%0.746SS**  trans-91.5107.5179.6-54.4173.6000108.4Q185 K189Q185-I187 HydrophobicContact CG-CG1 4.39Å; Q185-I187 PolarHBondContact O-N 3.43Å; I187-K189 HydrophobicContact CG2-CG 3.97Å; I187-K189 PolarHBondContact O-N 3.21Å
188N84.2Confident85.6Confident144 Ų144133.5 Ų133.577%0.7775%0.748SS**  trans-80.496.8171.1-71.657.2000109.8
189K86.6Confident85.7Confident179 Ų179136 Ų13678%0.77876%0.757SS**  trans-91.2107.4165.6-68.4-174.3178.9178.90108.7I187 L191I187-K189 HydrophobicContact CG2-CG 3.97Å; I187-K189 PolarHBondContact O-N 3.21Å; K189-L191 PolarHBondContact O-N 3.44Å
190K85.1Confident85.6Confident205 Ų205136.1 Ų136.189%0.89176%0.758SS**  trans-67.3127.5172.6-65-177.3-179.8-1760108.4
191L84.5Confident85.4Confident150 Ų150134.1 Ų134.179%0.78574%0.738SS**  trans-71.2132.7170.8-63.8174.7000108.6K189 L193K189-L191 PolarHBondContact O-N 3.44Å; L191-L193 HydrophobicContact CB-CG 4.47Å; L191-L193 PolarHBondContact O-N 3.47Å
192D86.3Confident85.2Confident120 Ų120134.8 Ų134.864%0.64273%0.73SS**  trans-79.1109.1172.2-177.515000109.3S194D192-S194 WeakPolarHBondContact OD1-CB 3.27Å; D192-S194 PolarHBondContact OD1-N 3.49Å; D192-S194 PolarHBondContact OD1-OG 3.17Å
193L86.6Confident85.2Confident120 Ų120139 Ų13963%0.62873%0.728SS**  trans-107.215179.3-61172.6000111.6L191 N195 V196L191-L193 HydrophobicContact CB-CG 4.47Å; L191-L193 PolarHBondContact O-N 3.47Å; L193-N195 PolarHBondContact O-N 3.36Å; L193-V196 HydrophobicContact CB-CG2 4.29Å; L193-V196 HydrophobicContact CD2-CG2 4.22Å; L193-V196 PolarHBondContact O-N 3.35Å
194S89.1Confident85.3Confident101 Ų101135.5 Ų135.571%0.70672%0.719SS**THydrogen-bonded Turntrans-62-28.8-173.8-550000113.3D192D192-S194 WeakPolarHBondContact OD1-CB 3.27Å; D192-S194 PolarHBondContact OD1-N 3.49Å; D192-S194 PolarHBondContact OD1-OG 3.17Å
195N87Confident85.3Confident147 Ų147133.9 Ų133.979%0.78671%0.706SS**THydrogen-bonded Turntrans-93.37.7-175.7-61-45.7000113.9L193 Q197L193-N195 PolarHBondContact O-N 3.36Å; N195-Q197 PolarHBondContact O-N 3.31Å
196V86.8Confident85.4Confident115 Ų115132 Ų13270%0.69770%0.699SS**  trans-83.6102-178.8-176.60000109.8L193L193-V196 HydrophobicContact CB-CG2 4.29Å; L193-V196 HydrophobicContact CD2-CG2 4.22Å; L193-V196 PolarHBondContact O-N 3.35Å
197Q85.6Confident85.6Confident169 Ų169134.9 Ų134.979%0.7971%0.707SS**  trans-101.9149.5172.5-171.7175.2-7.700111N195N195-Q197 PolarHBondContact O-N 3.31Å
198S86.6Confident85.9Confident90 Ų90134.4 Ų134.463%0.62970%0.702SS**  trans-64.2133.317457.10000111.5C200S198-C200 PolarHBondContact O-N 3.07Å
199K86.6Confident85.9Confident216 Ų216133.6 Ų133.694%0.93970%0.702SS**SBendtrans-780.6172-61.9-175.9178-1790113.9G201K199-G201 PolarHBondContact O-N 3.27Å
200C82.2Confident85.9Confident88 Ų88129.7 Ų129.760%0.59570%0.695SS**  trans-87.1102.5176.5-173.80000109.6S198 S202S198-C200 PolarHBondContact O-N 3.07Å; C200-S202 PolarHBondContact O-N 2.87Å
201G82.5Confident85.9Confident37 Ų37123.8 Ų123.838%0.38169%0.692SS.*  trans-74.329.1179.300000114.8K199 K203 D204K199-G201 PolarHBondContact O-N 3.27Å; G201-K203 PolarHBondContact O-N 3.36Å; G201-D204 WeakPolarHBondContact CA-OD2 3.38Å; G201-D204 VanDerWaalsContact O-CB 3.29Å; G201-D204 WeakPolarHBondContact O-CB 3.36Å; G201-D204 PolarHBondContact O-N 3.5Å
202S82.4Confident85.9Confident95 Ų95119.6 Ų119.666%0.66469%0.685SS**THydrogen-bonded Turntrans-61.3-17.6-177.362.30000113.4C200C200-S202 PolarHBondContact O-N 2.87Å
203K84.3Confident85.6Confident163 Ų163117.6 Ų117.671%0.70969%0.693SS**THydrogen-bonded Turntrans-93.9-3.1177.3-63.6-168.51721570114.2G201 N205 I206G201-K203 PolarHBondContact O-N 3.36Å; K203-N205 VanDerWaalsContact C-N 3.26Å; K203-N205 PolarHBondContact O-N 2.83Å; K203-I206 HydrophobicContact CB-CD1 3.6Å; K203-I206 HydrophobicContact CB-CG1 4.33Å; K203-I206 HydrophobicContact CD-CD1 4.37Å; K203-I206 HydrophobicContact CG-CD1 3.84Å; K203-I206 WeakPolarHBondContact O-CD1 3.41Å; K203-I206 WeakPolarHBondContact O-CG1 3.46Å
204D86.8Confident85.3Confident141 Ų141118 Ų11875%0.75471%0.706SS**THydrogen-bonded Turntrans-69-29.2-173.8-61.3-10.7000111.5G201G201-D204 WeakPolarHBondContact CA-OD2 3.38Å; G201-D204 VanDerWaalsContact O-CB 3.29Å; G201-D204 WeakPolarHBondContact O-CB 3.36Å; G201-D204 PolarHBondContact O-N 3.5Å
205N83.4Confident85.2Confident103 Ų103119.4 Ų119.455%0.55171%0.71SS**THydrogen-bonded Turntrans-117.424.8-173-148.212.6000115.3K203 K207 H208K203-N205 VanDerWaalsContact C-N 3.26Å; K203-N205 PolarHBondContact O-N 2.83Å; N205-K207 PolarHBondContact O-N 3.37Å; N205-K207 VanDerWaalsContact O-N 3.1Å; N205-H208 HydrophobicContact CB-CB 4.47Å; N205-H208 WeakPolarHBondContact ND2-CB 3.27Å; N205-H208 PolarHBondContact O-N 3.49Å; N205-H208 WeakPolarHBondContact OD1-CB 3.44Å
206I87.2Confident85.1Confident126 Ų126120.7 Ų120.765%0.64671%0.711SS**THydrogen-bonded Turntrans-59.4-26.4-178-62.4164.3000112.4K203K203-I206 HydrophobicContact CB-CD1 3.6Å; K203-I206 HydrophobicContact CB-CG1 4.33Å; K203-I206 HydrophobicContact CD-CD1 4.37Å; K203-I206 HydrophobicContact CG-CD1 3.84Å; K203-I206 WeakPolarHBondContact O-CD1 3.41Å; K203-I206 WeakPolarHBondContact O-CG1 3.46Å
207K89.9Confident85Confident203 Ų203122.8 Ų122.888%0.88372%0.717SS**THydrogen-bonded Turntrans-86.6-6.4-178.5-61.4-179.5-176.7177.10113.7N205 V209N205-K207 PolarHBondContact O-N 3.37Å; N205-K207 VanDerWaalsContact O-N 3.1Å; K207-V209 PolarHBondContact O-N 3.05Å
208H89.9Confident85.2Confident111 Ų111119.9 Ų119.951%0.51471%0.71SS.*  trans-79.5112.5179.4170.7-101.1000110.5N205 P210N205-H208 HydrophobicContact CB-CB 4.47Å; N205-H208 WeakPolarHBondContact ND2-CB 3.27Å; N205-H208 PolarHBondContact O-N 3.49Å; N205-H208 WeakPolarHBondContact OD1-CB 3.44Å; H208-P210 WeakPolarHBondContact O-CD 3.38Å
209V84.3Confident85.3Confident127 Ų127124.9 Ų124.977%0.7772%0.716SS**  trans-78.8115.3164-1780000106.1K207 G211K207-V209 PolarHBondContact O-N 3.05Å; V209-G211 PolarHBondContact O-N 3.24Å
210P86.2Confident85.5Confident97 Ų97122.9 Ų122.963%0.6371%0.708SS**  trans-58.4128.8178.924.7-32.7000109.5H208 G212H208-P210 WeakPolarHBondContact O-CD 3.38Å; P210-G212 PolarHBondContact O-N 3.34Å
211G86.4Confident85.8Confident80 Ų80123.3 Ų123.383%0.82571%0.709SS**  trans-58.8131.7175.200000110.5V209V209-G211 PolarHBondContact O-N 3.24Å
212G84.2Confident86.1Confident62 Ų62127.5 Ų127.564%0.63973%0.727SS**  trans-122.9135.7176.800000110.6P210 S214P210-G212 PolarHBondContact O-N 3.34Å; G212-S214 PolarHBondContact O-N 3.12Å; G212-S214 VanDerWaalsContact O-N 3.14Å
213G80Confident86.4Confident79 Ų79128.9 Ų128.981%0.81473%0.727SS**  trans-60.7109-172.700000113.1V215G213-V215 PolarHBondContact O-N 3.44Å
214S80.9Confident86.6Confident128 Ų128127.1 Ų127.190%0.89573%0.725SS**  trans-82.392.7169.7-61.40000109G212G212-S214 PolarHBondContact O-N 3.12Å; G212-S214 VanDerWaalsContact O-N 3.14Å
215V85.2Confident86.6Confident131 Ų131124.5 Ų124.579%0.79472%0.718SS**PPolyproline II helixtrans-100.9122.3172.9-175.60000108.5G213G213-V215 PolarHBondContact O-N 3.44Å
216Q85.5Confident86.6Confident173 Ų173128.8 Ų128.881%0.80873%0.731SS**PPolyproline II helixtrans-90.6126.8174.5-170.4172.439.300109.6V218Q216-V218 PolarHBondContact O-N 3.32Å
217I85.6Confident86.5Confident160 Ų160128.1 Ų128.182%0.82173%0.733SS**PPolyproline II helixtrans-81.1116.8170.7-59.6174.7000107.8Y219I217-Y219 PolarHBondContact O-N 3.13Å
218V88.4Confident86Confident107 Ų107124.4 Ų124.465%0.64873%0.727SS**  trans-83110.5177.31780000109.1Q216 K220Q216-V218 PolarHBondContact O-N 3.32Å; V218-K220 HydrophobicContact CG1-CD 4.4Å; V218-K220 HydrophobicContact CG1-CG 4.04Å
219Y89.3Confident85.5Confident195 Ų195124.2 Ų124.277%0.76574%0.739SS**  trans-102.3115.7174-176.9-104.5000110.3I217 P221I217-Y219 PolarHBondContact O-N 3.13Å; Y219-P221 HydrophobicContact CE1-CB 3.95Å; Y219-P221 HydrophobicContact CE1-CG 4.12Å
220K91.9Very high85.2Confident175 Ų175128.3 Ų128.376%0.76175%0.746SS**  trans-118.397.3175.6-66.6-176.8-177-1720108.9V218V218-K220 HydrophobicContact CG1-CD 4.4Å; V218-K220 HydrophobicContact CG1-CG 4.04Å
221P88Confident84.6Confident96 Ų96128.2 Ų128.262%0.62375%0.747SS**PPolyproline II helixtrans-65.8143.3178.226.8-32.6000110.8Y219Y219-P221 HydrophobicContact CE1-CB 3.95Å; Y219-P221 HydrophobicContact CE1-CG 4.12Å
222V87.9Confident83.8Confident126 Ų126127.8 Ų127.876%0.76474%0.743SS**PPolyproline II helixtrans-94.1125.7176.7178.90000108.7L224V222-L224 HydrophobicContact CG1-CD2 4.46Å; V222-L224 HydrophobicContact CG1-CG 4.4Å
223D89Confident83.1Confident123 Ų123129.6 Ų129.666%0.65875%0.745SS**PPolyproline II helixtrans-94.7124.6175.3-176.319.9000111S225D223-S225 VanDerWaalsContact CG-OG 3.26Å; D223-S225 WeakPolarHBondContact OD1-CB 3.19Å; D223-S225 PolarHBondContact OD1-N 2.88Å; D223-S225 PolarHBondContact OD1-OG 3.31Å; D223-S225 VanDerWaalsContact OD1-OG 3.1Å; D223-S225 PolarHBondContact OD2-OG 3.42Å
224L88.9Confident82.6Confident127 Ų127132.1 Ų132.167%0.66574%0.74SS**  trans-114.217.3176.5-64167.2000111.6V222 K226 V227V222-L224 HydrophobicContact CG1-CD2 4.46Å; V222-L224 HydrophobicContact CG1-CG 4.4Å; L224-K226 PolarHBondContact O-N 3.36Å; L224-V227 HydrophobicContact CB-CG2 4.35Å; L224-V227 HydrophobicContact CD2-CG2 4.47Å; L224-V227 WeakPolarHBondContact O-CG2 3.22Å; L224-V227 PolarHBondContact O-N 2.92Å
225S87Confident82.1Confident86 Ų86129.2 Ų129.260%0.60173%0.729SS**THydrogen-bonded Turntrans-52.5-23.6-172.5560000116.2D223D223-S225 VanDerWaalsContact CG-OG 3.26Å; D223-S225 WeakPolarHBondContact OD1-CB 3.19Å; D223-S225 PolarHBondContact OD1-N 2.88Å; D223-S225 PolarHBondContact OD1-OG 3.31Å; D223-S225 VanDerWaalsContact OD1-OG 3.1Å; D223-S225 PolarHBondContact OD2-OG 3.42Å
226K83.9Confident81.3Confident192 Ų192129.7 Ų129.784%0.83573%0.727SS**THydrogen-bonded Turntrans-94.11.5-176.5-60.6177.7-173.2173.40114.2L224 T228L224-K226 PolarHBondContact O-N 3.36Å; K226-T228 PolarHBondContact O-N 3.02Å
227V83.7Confident80.8Confident113 Ų113127.3 Ų127.369%0.68572%0.719SS**  trans-84.1107.3-178.9-176.80000109.6L224L224-V227 HydrophobicContact CB-CG2 4.35Å; L224-V227 HydrophobicContact CD2-CG2 4.47Å; L224-V227 WeakPolarHBondContact O-CG2 3.22Å; L224-V227 PolarHBondContact O-N 2.92Å
228T80.4Confident80.5Confident124 Ų124127.6 Ų127.676%0.76172%0.717SS**  trans-95.3139.917059.20000110.3K226K226-T228 PolarHBondContact O-N 3.02Å
229S78.4Confident80.1Confident107 Ų107129.3 Ų129.375%0.74872%0.717SS**  trans-75.7138.4175.154.40000110.4C231S229-C231 VanDerWaalsContact C-N 3.26Å
230K79.1Confident79.5Confident213 Ų213129 Ų12993%0.92672%0.72SS**  trans-8811172.9-64.3-175177.1179.30112.9G232K230-G232 PolarHBondContact O-N 3.28Å
231C73.9Confident78.7Confident95 Ų95125.7 Ų125.764%0.64272%0.716SS**  trans-80.3108-173.3-170.30000110.3S229 S233S229-C231 VanDerWaalsContact C-N 3.26Å; C231-S233 PolarHBondContact O-N 3.45Å
232G68.6Low78.2Confident72 Ų72125.1 Ų125.174%0.74273%0.728SS**  trans-73.64718000000114.6K230 L234 G235K230-G232 PolarHBondContact O-N 3.28Å; G232-L234 PolarHBondContact O-N 2.98Å; G232-G235 PolarHBondContact O-N 3.06Å
233S70.3Confident77.6Confident99 Ų99123.1 Ų123.169%0.69273%0.732SS**THydrogen-bonded Turntrans-63.5-10.5-174.559.30000114.9C231 G235C231-S233 PolarHBondContact O-N 3.45Å; S233-G235 VanDerWaalsContact C-N 3.32Å; S233-G235 PolarHBondContact O-N 2.89Å
234L69Low76.5Confident133 Ų133121 Ų12170%0.69674%0.74SS**THydrogen-bonded Turntrans-85.86.3-179.6-61.6178.1000114.4G232 N236G232-L234 PolarHBondContact O-N 2.98Å; L234-N236 VanDerWaalsContact C-N 3.27Å; L234-N236 PolarHBondContact O-N 3.16Å
235G70.8Confident75.3Confident66 Ų66124.5 Ų124.568%0.6875%0.753SS**THydrogen-bonded Turntrans-63.1-20.8-175.300000116.5G232 S233G232-G235 PolarHBondContact O-N 3.06Å; S233-G235 VanDerWaalsContact C-N 3.32Å; S233-G235 PolarHBondContact O-N 2.89Å
236N68.3Low74.5Confident141 Ų141126.3 Ų126.375%0.75476%0.76SS**THydrogen-bonded Turntrans-11619.9-169.5-80-11.7000115.5L234 H238 H239L234-N236 VanDerWaalsContact C-N 3.27Å; L234-N236 PolarHBondContact O-N 3.16Å; N236-H238 PolarHBondContact O-N 2.87Å; N236-H239 PolarHBondContact O-N 3.25Å; N236-H239 VanDerWaalsContact O-N 3.11Å
237I75.4Confident73.9Confident124 Ų124125.1 Ų125.164%0.63676%0.758SS**THydrogen-bonded Turntrans-57.3-12.8-17945178.3000115.7
238H78.9Confident73Confident166 Ų166125.7 Ų125.777%0.76976%0.761SS**THydrogen-bonded Turntrans-105.911.1179.8-56.9128.1000114.5N236 K240N236-H238 PolarHBondContact O-N 2.87Å; H238-K240 PolarHBondContact O-N 3.25Å
239H79.2Confident72.1Confident143 Ų143128.5 Ų128.566%0.66276%0.763SS**  trans-69.2115175.5179.9-109.1000111.2N236N236-H239 PolarHBondContact O-N 3.25Å; N236-H239 VanDerWaalsContact O-N 3.11Å
240K77.9Confident71.5Confident189 Ų189127.6 Ų127.682%0.82276%0.756SS**  trans-99.3109.1166.5-66.3-73.1-175.7-171.30107.7H238 G242H238-K240 PolarHBondContact O-N 3.25Å; K240-G242 PolarHBondContact O-N 3.2Å
241P74.5Confident71.1Confident105 Ų105125.4 Ų125.468%0.68275%0.749SS**  trans-66.1126.1176.326-31.8000109.9
242G77.4Confident70.6Confident84 Ų84129.1 Ų129.187%0.86675%0.754SS**  trans-92.3127.2168.700000110.6K240K240-G242 PolarHBondContact O-N 3.2Å
243G74.4Confident70.7Confident83 Ų83130.9 Ų130.986%0.85675%0.746SS**  trans156.8144.5177.300000111.6
244G66.9Low70.5Confident80 Ų80131.9 Ų131.983%0.82574%0.744SS**  trans140.47.4-179.900000116.7V246G244-V246 VanDerWaalsContact C-N 3.34Å; G244-V246 PolarHBondContact O-N 2.58Å
245Q63.7Low70.5Confident199 Ų199131.2 Ų131.293%0.9374%0.736SS**  trans-98.647.3-179.4-153.9150.211.300112.4
246V69.6Low70.3Confident124 Ų124136.8 Ų136.875%0.75274%0.741SS**  trans-134.9116.5171.3-173.50000108G244 V248G244-V246 VanDerWaalsContact C-N 3.34Å; G244-V246 PolarHBondContact O-N 2.58Å; V246-V248 PolarHBondContact O-N 3.05Å
247E72Confident70.3Confident168 Ų168137.6 Ų137.679%0.78575%0.746SS**  trans-75.3110.3175.5-171.4-179.6170.900109.3
248V64.9Low70Confident125 Ų125142.2 Ų142.276%0.75876%0.755SS**  trans-89.5106.2173.2-178.80000108.2V246 S250V246-V248 PolarHBondContact O-N 3.05Å; V248-S250 PolarHBondContact O-N 3.45Å
249K62.2Low69.9Low183 Ų183139.4 Ų139.480%0.79675%0.749SS**  trans-71.7113.4172.7-66.1-178.1179.8179.90109.2
250S64Low69.7Low87 Ų87140.6 Ų140.661%0.60876%0.755SS**  trans-102.4110.9172.466.20000110.5V248 K252V248-S250 PolarHBondContact O-N 3.45Å; S250-K252 PolarHBondContact O-N 3.35Å
251E72.3Confident69.7Low168 Ų168136 Ų13679%0.78575%0.747SS**  trans-84.197.3164.5-172.9177.5171.300108.1L253E251-L253 HydrophobicContact CG-CG 4.4Å; E251-L253 PolarHBondContact O-N 3.26Å
252K61.6Low70.2Confident172 Ų172141.2 Ų141.275%0.74876%0.759SS**  trans-85.8102175-73.7-174.2178.4-1750109S250 D254S250-K252 PolarHBondContact O-N 3.35Å; K252-D254 PolarHBondContact O-N 2.99Å
253L71.6Confident70.2Confident109 Ų109143.4 Ų143.457%0.57175%0.749SS**  trans-86.7102.4168.3-73.4162.6000109.3E251 F255E251-L253 HydrophobicContact CG-CG 4.4Å; E251-L253 PolarHBondContact O-N 3.26Å; L253-F255 HydrophobicContact CB-CD2 4.04Å; L253-F255 HydrophobicContact CB-CE2 3.52Å; L253-F255 HydrophobicContact CB-CZ 4.15Å; L253-F255 HydrophobicContact CD1-CE2 4.1Å; L253-F255 HydrophobicContact CD1-CZ 4.39Å; L253-F255 HydrophobicContact CD2-CE2 4.35Å; L253-F255 HydrophobicContact CD2-CZ 4.14Å; L253-F255 HydrophobicContact CG-CE2 4.2Å; L253-F255 HydrophobicContact CG-CZ 4.47Å; L253-F255 PolarHBondContact O-N 3.33Å
254D65.9Low70.5Confident120 Ų120141.7 Ų141.764%0.64273%0.731SS**  trans-87.4100.7174.9-78-44.7000110.6K252K252-D254 PolarHBondContact O-N 2.99Å
255F68.5Low71.1Confident120 Ų120142.4 Ų142.453%0.52672%0.724SS.*  trans-97.36.2176.1-69.5-69.9000114.2L253 D257 R258 V259L253-F255 HydrophobicContact CB-CD2 4.04Å; L253-F255 HydrophobicContact CB-CE2 3.52Å; L253-F255 HydrophobicContact CB-CZ 4.15Å; L253-F255 HydrophobicContact CD1-CE2 4.1Å; L253-F255 HydrophobicContact CD1-CZ 4.39Å; L253-F255 HydrophobicContact CD2-CE2 4.35Å; L253-F255 HydrophobicContact CD2-CZ 4.14Å; L253-F255 HydrophobicContact CG-CE2 4.2Å; L253-F255 HydrophobicContact CG-CZ 4.47Å; L253-F255 PolarHBondContact O-N 3.33Å; F255-D257 VanDerWaalsContact C-N 3.28Å; F255-D257 PolarHBondContact O-N 3.05Å; F255-R258 PolarHBondContact O-N 3.16Å; F255-V259 HydrophobicContact CB-CG2 3.84Å; F255-V259 WeakPolarHBondContact O-CG2 3.29Å; F255-V259 PolarHBondContact O-N 3.31Å
256K67.2Low71.9Confident183 Ų183138.2 Ų138.280%0.79671%0.708SS**THydrogen-bonded Turntrans-57.2-35.3-170.3-77.1171.4177.5170.70114.3
257D68.9Low72.6Confident158 Ų158138.4 Ų138.485%0.84570%0.704SS**THydrogen-bonded Turntrans-100.2-8.7-177.2-66.9-23.5000114.2F255F255-D257 VanDerWaalsContact C-N 3.28Å; F255-D257 PolarHBondContact O-N 3.05Å
258R68.9Low73Confident221 Ų221137 Ų13783%0.83470%0.702SS**THydrogen-bonded Turntrans-104.5-12.3-174.1-64.9-170.4-173.8-139.12.6114.2F255F255-R258 PolarHBondContact O-N 3.16Å
259V75.6Confident73.8Confident107 Ų107137 Ų13765%0.64870%0.697SS**  trans-96.2105.6-178.1178.90000109F255F255-V259 HydrophobicContact CB-CG2 3.84Å; F255-V259 WeakPolarHBondContact O-CG2 3.29Å; F255-V259 PolarHBondContact O-N 3.31Å
260Q75.9Confident74.8Confident168 Ų168134.1 Ų134.179%0.78570%0.695SS**  trans-98.6146.1170.3-64.8-175.63.900110.5
261S78.6Confident75.7Confident93 Ų93136.6 Ų136.665%0.6570%0.696SS**  trans-66.5136.3170.4179.20000110.1I263S261-I263 VanDerWaalsContact C-N 3.26Å; S261-I263 PolarHBondContact O-N 3.02Å; S261-I263 PolarHBondContact OG-N 2.96Å
262K83.9Confident76.2Confident213 Ų213134.4 Ų134.493%0.92669%0.694SS**SBendtrans-86.86.9175.8-62.9-177.2178.7179.90113.1
263I77.9Confident76.9Confident130 Ų130131 Ų13167%0.66769%0.689SS**SBendtrans-107.2120.1-176.2-57.5174.3000109.1S261 S265S261-I263 VanDerWaalsContact C-N 3.26Å; S261-I263 PolarHBondContact O-N 3.02Å; S261-I263 PolarHBondContact OG-N 2.96Å; I263-S265 PolarHBondContact O-N 3.01Å
264G80.4Confident77.2Confident47 Ų47128.8 Ų128.849%0.48569%0.693SS.*  trans-69.861.2175.600000113.2L266 D267G264-L266 PolarHBondContact O-N 3.2Å; G264-D267 WeakPolarHBondContact CA-OD1 2.89Å; G264-D267 VanDerWaalsContact O-CG 3.24Å
265S79.8Confident77.8Confident96 Ų96126.2 Ų126.267%0.67170%0.695SS**THydrogen-bonded Turntrans-72.3-16.6-175.555.70000113.9I263I263-S265 PolarHBondContact O-N 3.01Å
266L80.7Confident77.8Confident111 Ų111124.3 Ų124.358%0.58171%0.709SS**THydrogen-bonded Turntrans-113.212.9-174.4-60-176.8000113.5G264 N268 I269G264-L266 PolarHBondContact O-N 3.2Å; L266-N268 PolarHBondContact O-N 3.18Å; L266-I269 HydrophobicContact CB-CB 4.37Å; L266-I269 HydrophobicContact CB-CG2 4.46Å; L266-I269 HydrophobicContact CD1-CD1 4.46Å; L266-I269 HydrophobicContact CD2-CD1 4.22Å; L266-I269 WeakPolarHBondContact O-CB 3.42Å; L266-I269 VanDerWaalsContact O-CG2 3.26Å; L266-I269 WeakPolarHBondContact O-CG2 3.45Å; L266-I269 PolarHBondContact O-N 3.34Å
267D83.4Confident77.7Confident127 Ų127122.3 Ų122.368%0.67971%0.707SS**THydrogen-bonded Turntrans-59.8-23.7-175.1-63.2-4.4000112.9G264G264-D267 WeakPolarHBondContact CA-OD1 2.89Å; G264-D267 VanDerWaalsContact O-CG 3.24Å
268N80Confident77.8Confident139 Ų139124.3 Ų124.374%0.74371%0.709SS**THydrogen-bonded Turntrans-106.310.1179.4-64.6-43.6000114.4L266 T270 H271L266-N268 PolarHBondContact O-N 3.18Å; N268-T270 PolarHBondContact O-N 3.28Å; N268-T270 VanDerWaalsContact O-N 3.14Å; N268-H271 WeakPolarHBondContact O-CB 3.39Å; N268-H271 PolarHBondContact O-N 3.12Å
269I82.1Confident78Confident126 Ų126122.7 Ų122.765%0.64671%0.707SS**THydrogen-bonded Turntrans-62.9-23.7-174.5-160.7175000113.3L266 H271L266-I269 HydrophobicContact CB-CB 4.37Å; L266-I269 HydrophobicContact CB-CG2 4.46Å; L266-I269 HydrophobicContact CD1-CD1 4.46Å; L266-I269 HydrophobicContact CD2-CD1 4.22Å; L266-I269 WeakPolarHBondContact O-CB 3.42Å; L266-I269 VanDerWaalsContact O-CG2 3.26Å; L266-I269 WeakPolarHBondContact O-CG2 3.45Å; L266-I269 PolarHBondContact O-N 3.34Å; I269-H271 VanDerWaalsContact C-N 3.31Å
270T83.9Confident77.8Confident122 Ų122125 Ų12575%0.74871%0.714SS**THydrogen-bonded Turntrans-86.30.417953.20000113.5N268 V272N268-T270 PolarHBondContact O-N 3.28Å; N268-T270 VanDerWaalsContact O-N 3.14Å; T270-V272 PolarHBondContact O-N 3.06Å; T270-V272 VanDerWaalsContact O-N 3.13Å
271H83.6Confident77.5Confident138 Ų138124 Ų12464%0.63971%0.71SS**  trans-72.7106.2175.5177.9-93.2000110.6N268 I269N268-H271 WeakPolarHBondContact O-CB 3.39Å; N268-H271 PolarHBondContact O-N 3.12Å; I269-H271 VanDerWaalsContact C-N 3.31Å
272V81.5Confident76.7Confident122 Ų122125.6 Ų125.674%0.73972%0.716SS**  trans-88.2120.9169.8-177.70000108.3T270 G274T270-V272 PolarHBondContact O-N 3.06Å; T270-V272 VanDerWaalsContact O-N 3.13Å; V272-G274 PolarHBondContact O-N 3.3Å
273P76.5Confident76Confident100 Ų100122.6 Ų122.665%0.64971%0.705SS**  trans-63.8111.3179.224.6-31.8000110.2G275P273-G275 PolarHBondContact O-N 3.1Å
274G79Confident75.3Confident64 Ų64125.1 Ų125.166%0.6671%0.711SS**  trans-78.115175.700000114.7V272V272-G274 PolarHBondContact O-N 3.3Å
275G78.2Confident74.6Confident65 Ų65128.5 Ų128.567%0.6772%0.717SS**THydrogen-bonded Turntrans-81145.8-174.800000113.2P273P273-G275 PolarHBondContact O-N 3.1Å
276G68.3Low73.7Confident81 Ų81129.7 Ų129.784%0.83572%0.721SS**THydrogen-bonded Turntrans101.3-12.5174.100000116
277N65.8Low72.8Confident140 Ų140131 Ų13175%0.74972%0.722SS**  trans-90.8-9.2-174.1-54.7-19.1000113.9K279N277-K279 PolarHBondContact O-N 3.25Å
278K70.2Confident71.8Confident201 Ų201137.1 Ų137.187%0.87474%0.735SS**  trans-91.295.2175.9-71.4-172.8-170.8-174.60109.6I280K278-I280 PolarHBondContact O-N 3.47Å
279K72.1Confident70.9Confident186 Ų186139.5 Ų139.581%0.80974%0.742SS**  trans-72.5115.5168.2-166.9176.2-175.8-176.90108.3N277 E281N277-K279 PolarHBondContact O-N 3.25Å; K279-E281 PolarHBondContact O-N 2.91Å; K279-E281 VanDerWaalsContact O-N 3.13Å
280I73.2Confident69.8Low155 Ų155140.9 Ų140.980%0.79575%0.751SS**  trans-71.3105.2172.6-61.9171.7000107K278 T282K278-I280 PolarHBondContact O-N 3.47Å; I280-T282 PolarHBondContact O-N 2.69Å
281E69.5Low68.7Low149 Ų149138.7 Ų138.770%0.69675%0.745SS**  trans-75.1115.4176-72.7-175.315800110.2K279 H283K279-E281 PolarHBondContact O-N 2.91Å; K279-E281 VanDerWaalsContact O-N 3.13Å; E281-H283 PolarHBondContact O-N 3.39Å
282T60.7Low67.7Low125 Ų125141.7 Ų141.777%0.76776%0.756SS**  trans-84.191.1174.9-35.20000109.4I280 K284I280-T282 PolarHBondContact O-N 2.69Å; T282-K284 VanDerWaalsContact C-N 3.32Å; T282-K284 PolarHBondContact O-N 3.14Å
283H68.6Low67Low150 Ų150140.2 Ų140.269%0.69476%0.757SS**  trans-78.485.9167.8-82.8-148.1000109.3E281 L285E281-H283 PolarHBondContact O-N 3.39Å; H283-L285 PolarHBondContact O-N 3.46Å; H283-L285 VanDerWaalsContact O-N 3.1Å
284K63.7Low66.6Low183 Ų183145.3 Ų145.380%0.79677%0.769SS**  trans-74.498.3174.1-160.2179.3-177.3-176.30108.5T282 T286T282-K284 VanDerWaalsContact C-N 3.32Å; T282-K284 PolarHBondContact O-N 3.14Å; K284-T286 PolarHBondContact O-N 3.22Å
285L65.3Low66.2Low119 Ų119147.4 Ų147.462%0.62377%0.769SS**  trans-73108179.9-66.3146.3000110.6H283 F287H283-L285 PolarHBondContact O-N 3.46Å; H283-L285 VanDerWaalsContact O-N 3.1Å; L285-F287 HydrophobicContact CB-CD1 4.38Å; L285-F287 HydrophobicContact CB-CD2 3.65Å; L285-F287 HydrophobicContact CB-CE1 3.9Å; L285-F287 HydrophobicContact CB-CE2 3.09Å; L285-F287 HydrophobicContact CB-CG 4.3Å; L285-F287 HydrophobicContact CB-CZ 3.27Å; L285-F287 HydrophobicContact CD1-CE2 3.72Å; L285-F287 HydrophobicContact CD1-CZ 3.57Å; L285-F287 HydrophobicContact CD2-CE1 3.77Å; L285-F287 HydrophobicContact CD2-CE2 4.2Å; L285-F287 HydrophobicContact CD2-CZ 3.44Å; L285-F287 VanDerWaalsContact CD2-CZ 3.44Å; L285-F287 HydrophobicContact CG-CE1 4.29Å; L285-F287 HydrophobicContact CG-CE2 3.81Å; L285-F287 HydrophobicContact CG-CZ 3.57Å; L285-F287 PolarHBondContact O-N 3.14Å
286T61Low65.6Low121 Ų121151.2 Ų151.274%0.74277%0.774SS**  trans-86.877.8176.849.20000110.5K284K284-T286 PolarHBondContact O-N 3.22Å
287F63.3Low65.3Low137 Ų137153.9 Ų153.960%0.60176%0.764SS**  trans-86.2-4179.5-53.7-67000114.6L285 E289 A291L285-F287 HydrophobicContact CB-CD1 4.38Å; L285-F287 HydrophobicContact CB-CD2 3.65Å; L285-F287 HydrophobicContact CB-CE1 3.9Å; L285-F287 HydrophobicContact CB-CE2 3.09Å; L285-F287 HydrophobicContact CB-CG 4.3Å; L285-F287 HydrophobicContact CB-CZ 3.27Å; L285-F287 HydrophobicContact CD1-CE2 3.72Å; L285-F287 HydrophobicContact CD1-CZ 3.57Å; L285-F287 HydrophobicContact CD2-CE1 3.77Å; L285-F287 HydrophobicContact CD2-CE2 4.2Å; L285-F287 HydrophobicContact CD2-CZ 3.44Å; L285-F287 VanDerWaalsContact CD2-CZ 3.44Å; L285-F287 HydrophobicContact CG-CE1 4.29Å; L285-F287 HydrophobicContact CG-CE2 3.81Å; L285-F287 HydrophobicContact CG-CZ 3.57Å; L285-F287 PolarHBondContact O-N 3.14Å; F287-E289 PolarHBondContact O-N 3.04Å; F287-A291 WeakPolarHBondContact O-CB 3.47Å
288R61.8Low65.3Low256 Ų256151 Ų15197%0.96677%0.769SS**THydrogen-bonded Turntrans-74.5-22.5-170.2-82.3179.496.5136.3-1.3115.2
289E60.9Low65Low189 Ų189144.8 Ų144.888%0.88375%0.754SS**THydrogen-bonded Turntrans-108.1-23.9-171.4-144.5166.6-163.700113.8F287F287-E289 PolarHBondContact O-N 3.04Å
290N59.3Low64.7Low156 Ų156144.7 Ų144.783%0.83476%0.757SS**THydrogen-bonded Turntrans-105.3-3.6-179.2-76.1-24.4000114.5K292N290-K292 PolarHBondContact O-N 3.48Å; N290-K292 VanDerWaalsContact O-N 3.14Å
291A60.4Low64.3Low76 Ų76143.8 Ų143.863%0.62875%0.752SS**  trans-78.697.5178.200000110.8F287 A293F287-A291 WeakPolarHBondContact O-CB 3.47Å; A291-A293 PolarHBondContact O-N 3.1Å
292K62.6Low64.2Low200 Ų200142 Ų14287%0.8775%0.751SS**  trans-68.5126.2164.7-92-169.6174.5-1650109.4N290 K294N290-K292 PolarHBondContact O-N 3.48Å; N290-K292 VanDerWaalsContact O-N 3.14Å; K292-K294 PolarHBondContact O-N 3.24Å
293A67.6Low64.1Low92 Ų92145.5 Ų145.576%0.7675%0.752SS**  trans-58.4110.8169.900000109.7A291A291-A293 PolarHBondContact O-N 3.1Å
294K68.2Low63.6Low207 Ų207147.5 Ų147.590%0.976%0.758SS**  trans-96.483.7164.2-88.7-177167.6-178.10107K292K292-K294 PolarHBondContact O-N 3.24Å
295T69.8Low62.9Low108 Ų108142.8 Ų142.866%0.66375%0.749SS**  trans-10689.9172.8-27.70000107.3H297T295-H297 PolarHBondContact O-ND1 3.43Å
296D65.4Low62.4Low144 Ų144143 Ų14377%0.7776%0.757SS**  trans-76.6129.4162.2-17210000107.3G298D296-G298 PolarHBondContact O-N 3.17Å
297H62.6Low61.6Low137 Ų137143.4 Ų143.463%0.63476%0.759SS**  trans-81.479.4177.6-47.931000102.8T295 A299T295-H297 PolarHBondContact O-ND1 3.43Å; H297-A299 PolarHBondContact O-N 3.05Å
298G64.5Low61.1Low81 Ų81142.7 Ų142.784%0.83577%0.766SS**  trans-64.824.4-172.900000115D296D296-G298 PolarHBondContact O-N 3.17Å
299A65.3Low60.3Low69 Ų69136 Ų13657%0.5776%0.758SS**SBendtrans-131.3128175.700000108.8H297 I301H297-A299 PolarHBondContact O-N 3.05Å; A299-I301 PolarHBondContact O-N 3.37Å; A299-I301 VanDerWaalsContact O-N 3.12Å
300E65.4Low59.5Low184 Ų184130.3 Ų130.386%0.8675%0.75SS**  trans-57.8114.8168.2-89.9-170.6146.400109.7V302E300-V302 PolarHBondContact O-N 3.38Å
301I64.5Low58.5Low136 Ų136130.9 Ų130.970%0.69775%0.753SS**  trans-84.891.2171.8-54.2177.7000107.8A299 Y303A299-I301 PolarHBondContact O-N 3.37Å; A299-I301 VanDerWaalsContact O-N 3.12Å; I301-Y303 PolarHBondContact O-N 3.2Å
302V67Low57.9Low113 Ų113133.6 Ų133.669%0.68576%0.762SS**  trans-74.7102.2172.1179.50000109.1E300 K304E300-V302 PolarHBondContact O-N 3.38Å; V302-K304 PolarHBondContact O-N 3.13Å
303Y58.2Low57Low198 Ų198129.4 Ų129.478%0.77676%0.758SS**  trans-8399.2174-167.8-99.1000110.4I301I301-Y303 PolarHBondContact O-N 3.2Å
304K60.1Low56.6Low191 Ų191130.9 Ų130.983%0.8376%0.76SS**  trans-88.8107.3163.9-92.5-163.6164.5-158.90109.1V302 P306V302-K304 PolarHBondContact O-N 3.13Å; K304-P306 WeakPolarHBondContact O-CD 3.21Å
305S47.5Very low56Low85 Ų85132 Ų13259%0.59476%0.758SS**PPolyproline II helixtrans-74.7125.5170.545.10000111.2
306P55.5Low54.8Low122 Ų122135.2 Ų135.279%0.79277%0.766SS**PPolyproline II helixtrans-80.6128.6158.4-8.127.3000108.7K304K304-P306 WeakPolarHBondContact O-CD 3.21Å
307V44.4Very low54.3Low130 Ų130136 Ų13679%0.78877%0.769SS**PPolyproline II helixtrans-63160179.1-1670000110.4
308V52.2Low53.6Low122 Ų122133.5 Ų133.574%0.73977%0.767SS**  trans109.687159-164.60000115.6
309S45.6Very low52.9Low116 Ų116136.8 Ų136.881%0.81177%0.765SS**  68.6121.6122.4-49.90000121.9
310G43.8Very low52.1Low69 Ų69139.5 Ų139.571%0.71178%0.775SS**  112.391.5122.400000117.2T312G310-T312 PolarHBondContact O-N 3.39Å
311D39Very low51.2Low169 Ų169135.8 Ų135.890%0.90477%0.769SS**  trans30.983.3146.2-79.7-32.7000118.7
312T47.4Very low50.5Low132 Ų132135.1 Ų135.181%0.8178%0.776SS**  trans-148.8128.5139.51000000109.6G310G310-T312 PolarHBondContact O-N 3.39Å
313S42.6Very low49.6Very low112 Ų112136.7 Ų136.778%0.78379%0.786SS**PPolyproline II helixtrans-67.2124.7-176.7-159.30000111.8R315S313-R315 PolarHBondContact O-N 2.95Å
314P59.6Low49.4Very low123 Ų123131 Ų13180%0.79979%0.787SS**PPolyproline II helixtrans-75.1119.2178.1-10.826.5000110.2
315R55.8Low49.1Very low231 Ų231126.6 Ų126.687%0.87278%0.781SS**PPolyproline II helixtrans-60.3136.3179.5-64.1-168-173.4177.73.5111.7S313 L317S313-R315 PolarHBondContact O-N 2.95Å; R315-L317 PolarHBondContact O-N 2.75Å
316H43.7Very low49.3Very low176 Ų176129.5 Ų129.582%0.81579%0.788SS**  trans-24.1102.4165.8-165.3-99.9000114.4
317L55.9Low48.9Very low160 Ų160130.2 Ų130.284%0.83879%0.786SS**  trans-74.3126.5173.6-66.6174.5000109.6R315R315-L317 PolarHBondContact O-N 2.75Å
318S48.7Very low49.1Very low85 Ų85132.3 Ų132.359%0.59479%0.789SS**  trans-47.8138-179.246.50000114.5V320S318-V320 VanDerWaalsContact C-N 3.32Å; S318-V320 PolarHBondContact O-N 3.1Å
319N48.8Very low49.4Very low150 Ų150132.6 Ų132.680%0.80279%0.791SS**  trans-61.489164.2-71.7-13.8000110.1S321N319-S321 PolarHBondContact O-N 2.88Å
320V49.6Very low49.6Very low126 Ų126133.8 Ų133.876%0.76479%0.788SS**  trans-88.784.8162-74.30000107.8S318S318-V320 VanDerWaalsContact C-N 3.32Å; S318-V320 PolarHBondContact O-N 3.1Å
321S46.1Very low50.2Low106 Ų106134.2 Ų134.274%0.74178%0.78SS**  trans-92.6112.3168.9-68.60000109.3N319 T323N319-S321 PolarHBondContact O-N 2.88Å; S321-T323 PolarHBondContact O-N 3.07Å
322S48.8Very low51.5Low122 Ų122130.9 Ų130.985%0.85377%0.767SS**  trans-63.1113.3178.6-39.20000111.2G324S322-G324 PolarHBondContact O-N 3.37Å; S322-G324 VanDerWaalsContact O-N 3.16Å
323T49.3Very low52.4Low145 Ų145131.7 Ų131.789%0.8976%0.762SS**  trans-82.389.1171.148.50000109.7S321S321-T323 PolarHBondContact O-N 3.07Å
324G53Low53.4Low78 Ų78132.2 Ų132.280%0.80476%0.755SS**  trans-84.6100.9158.100000109.1S322S322-G324 PolarHBondContact O-N 3.37Å; S322-G324 VanDerWaalsContact O-N 3.16Å
325S54.5Low53.7Low99 Ų99128.8 Ų128.869%0.69274%0.738SS**  trans-161.1123.7156.4-172.20000109.8D327S325-D327 PolarHBondContact O-N 3.25Å
326I50.9Low54.6Low146 Ų146121.9 Ų121.975%0.74972%0.721SS**  trans-61.9103.9174-175.4106.2000110
327D48.4Very low56.3Low138 Ų138118 Ų11874%0.73871%0.706SS**  trans-133.9100.8158.2-84.7-58.4000107.1S325 V329S325-D327 PolarHBondContact O-N 3.25Å; D327-V329 PolarHBondContact O-N 3.39Å
328M48.2Very low57.4Low174 Ų174113 Ų11386%0.85769%0.687SS**  trans-7188.3179.3-70.9176.956.700109.4
329V57.2Low58.9Low128 Ų128114.7 Ų114.778%0.77669%0.69SS**  trans-103.396.9162.2-70.40000108.3D327D327-V329 PolarHBondContact O-N 3.39Å
330D50.7Low60.6Low140 Ų140113.7 Ų113.775%0.74968%0.681SS**  trans49.477.9147.8-151.720.6000116P332D330-P332 WeakPolarHBondContact O-CD 3.09Å
331S57.2Low62.2Low78 Ų78112.5 Ų112.555%0.54567%0.673SS.*  trans-70.1117.9165.7-900000108.9Q333 L334S331-Q333 PolarHBondContact O-N 3.19Å; S331-L334 PolarHBondContact O-N 3.13Å; S331-L334 VanDerWaalsContact O-N 3.13Å
332P65.5Low64Low99 Ų99111 Ų11164%0.64366%0.663SS**Hα-helixtrans-61.3-12.1-173.723.2-34000114.1D330 T336D330-P332 WeakPolarHBondContact O-CD 3.09Å; P332-T336 PolarHBondContact O-N 3.02Å; P332-T336 PolarHBondContact O-OG1 3.3Å
333Q67.2Low65.7Low150 Ų150107.7 Ų107.770%0.70164%0.643SS**Hα-helixtrans-74.7-25.7179.1-64.1-177.3-24.800113.8S331 T336 L337S331-Q333 PolarHBondContact O-N 3.19Å; Q333-T336 PolarHBondContact O-OG1 3.02Å; Q333-L337 WeakPolarHBondContact O-CG 3.33Å
334L61.7Low67.4Low123 Ų123104.1 Ų104.164%0.64462%0.624SS**Hα-helixtrans-81.4-31.8176-70.2178.6000111.8S331 T336 L337 A338S331-L334 PolarHBondContact O-N 3.13Å; S331-L334 VanDerWaalsContact O-N 3.13Å; L334-T336 VanDerWaalsContact C-N 3.35Å; L334-L337 HydrophobicContact CD2-CD1 4.29Å; L334-L337 PolarHBondContact O-N 3.05Å; L334-A338 PolarHBondContact O-N 2.89Å; L334-A338 VanDerWaalsContact O-N 3.12Å
335A66.1Low68.8Low51 Ų51105.3 Ų105.342%0.42161%0.611SS.*Hα-helixtrans-62.3-41.5174.500000111.7L337 A338 D339A335-L337 VanDerWaalsContact C-N 3.34Å; A335-L337 PolarHBondContact O-N 3.36Å; A335-A338 PolarHBondContact O-N 3.14Å; A335-D339 PolarHBondContact O-N 3.29Å
336T74.3Confident70Confident86 Ų86104.4 Ų104.453%0.52861%0.61SS.*Hα-helixtrans-65.4-35177.146.90000113.2P332 Q333 L334 E340P332-T336 PolarHBondContact O-N 3.02Å; P332-T336 PolarHBondContact O-OG1 3.3Å; Q333-T336 PolarHBondContact O-OG1 3.02Å; L334-T336 VanDerWaalsContact C-N 3.35Å; T336-E340 PolarHBondContact O-N 3.35Å; T336-E340 VanDerWaalsContact O-N 3.16Å
337L79.4Confident71.3Confident93 Ų93106.4 Ų106.449%0.48761%0.613SS.*Hα-helixtrans-72.2-35.5177.9-70.7167.6000111.8Q333 L334 A335 E340 V341Q333-L337 WeakPolarHBondContact O-CG 3.33Å; L334-L337 HydrophobicContact CD2-CD1 4.29Å; L334-L337 PolarHBondContact O-N 3.05Å; A335-L337 VanDerWaalsContact C-N 3.34Å; A335-L337 PolarHBondContact O-N 3.36Å; L337-E340 PolarHBondContact O-N 3.02Å; L337-V341 VanDerWaalsContact O-CG2 3.27Å; L337-V341 WeakPolarHBondContact O-CG2 3.46Å; L337-V341 PolarHBondContact O-N 3.03Å
338A79.1Confident72.4Confident55 Ų55107.5 Ų107.546%0.45561%0.613SS.*Hα-helixtrans-66.7-39177.200000112.5L334 A335 S342L334-A338 PolarHBondContact O-N 2.89Å; L334-A338 VanDerWaalsContact O-N 3.12Å; A335-A338 PolarHBondContact O-N 3.14Å; A338-S342 WeakPolarHBondContact O-CB 3.26Å; A338-S342 PolarHBondContact O-N 3.46Å; A338-S342 PolarHBondContact O-OG 2.93Å
339D82Confident73.2Confident122 Ų122102.5 Ų102.565%0.65261%0.607SS**Hα-helixtrans-67.8-40.5174.2-91.5-14000112.1A335 V341 S342 A343A335-D339 PolarHBondContact O-N 3.29Å; D339-V341 PolarHBondContact O-N 2.82Å; D339-S342 PolarHBondContact O-N 3.18Å; D339-A343 VanDerWaalsContact O-CB 3.27Å; D339-A343 WeakPolarHBondContact O-CB 3.38Å; D339-A343 PolarHBondContact O-N 3.18Å
340E84Confident72.8Confident129 Ų129106.7 Ų106.760%0.60362%0.624SS**Hα-helixtrans-63.1-40.6176.3-107-174.3154.600112.9T336 L337 S344T336-E340 PolarHBondContact O-N 3.35Å; T336-E340 VanDerWaalsContact O-N 3.16Å; L337-E340 PolarHBondContact O-N 3.02Å; E340-S344 WeakPolarHBondContact O-CB 3.38Å; E340-S344 PolarHBondContact O-N 3.2Å; E340-S344 PolarHBondContact O-OG 3.2Å
341V83Confident73.9Confident101 Ų101105.1 Ų105.161%0.61262%0.618SS**Hα-helixtrans-67.6-43.5176.8172.80000110.5L337 D339 S344 L345L337-V341 VanDerWaalsContact O-CG2 3.27Å; L337-V341 WeakPolarHBondContact O-CG2 3.46Å; L337-V341 PolarHBondContact O-N 3.03Å; D339-V341 PolarHBondContact O-N 2.82Å; V341-S344 PolarHBondContact O-N 3.35Å; V341-L345 PolarHBondContact O-N 3.35Å
342S84.6Confident74.8Confident74 Ų74106.5 Ų106.552%0.51762%0.621SS.*Hα-helixtrans-64-42177.6-58.80000112.1A338 D339 S344 L345 A346A338-S342 WeakPolarHBondContact O-CB 3.26Å; A338-S342 PolarHBondContact O-N 3.46Å; A338-S342 PolarHBondContact O-OG 2.93Å; D339-S342 PolarHBondContact O-N 3.18Å; S342-S344 VanDerWaalsContact C-N 3.35Å; S342-S344 PolarHBondContact O-N 3.5Å; S342-L345 PolarHBondContact O-N 3.11Å; S342-A346 PolarHBondContact O-N 3.49Å
343A83.9Confident75.3Confident52 Ų52106.9 Ų106.943%0.4362%0.62SS.*Hα-helixtrans-67.1-33.8176.100000112.7D339 K347D339-A343 VanDerWaalsContact O-CB 3.27Å; D339-A343 WeakPolarHBondContact O-CB 3.38Å; D339-A343 PolarHBondContact O-N 3.18Å; A343-K347 WeakPolarHBondContact O-CG 3.44Å; A343-K347 PolarHBondContact O-N 3.38Å
344S85.2Confident75.7Confident71 Ų71104.4 Ų104.450%0.49762%0.616SS.*Hα-helixtrans-69.3-38.1175-66.60000112E340 V341 S342 K347 Q348E340-S344 WeakPolarHBondContact O-CB 3.38Å; E340-S344 PolarHBondContact O-N 3.2Å; E340-S344 PolarHBondContact O-OG 3.2Å; V341-S344 PolarHBondContact O-N 3.35Å; S342-S344 VanDerWaalsContact C-N 3.35Å; S342-S344 PolarHBondContact O-N 3.5Å; S344-K347 PolarHBondContact O-N 3.43Å; S344-Q348 PolarHBondContact O-N 3.38Å
345L81.3Confident76.6Confident103 Ų103103.2 Ų103.254%0.53961%0.614SS.*Hα-helixtrans-68.6-41177.7-150.272.2000111.6V341 S342 K347 Q348V341-L345 PolarHBondContact O-N 3.35Å; S342-L345 PolarHBondContact O-N 3.11Å; L345-K347 VanDerWaalsContact C-N 3.26Å; L345-K347 PolarHBondContact O-N 3.33Å; L345-Q348 PolarHBondContact O-N 3.39Å
346A80.1Confident77.3Confident80 Ų80106.7 Ų106.766%0.66163%0.627SS**Hα-helixtrans-63.4-28.9175.100000113.3S342 Q348S342-A346 PolarHBondContact O-N 3.49Å; A346-Q348 VanDerWaalsContact C-N 3.34Å
347K77.9Confident77.5Confident187 Ų187108.1 Ų108.181%0.81363%0.634SS**Hα-helixtrans-75.8-19.8173.7-77.1179.8179.51780113.6A343 S344 L345A343-K347 WeakPolarHBondContact O-CG 3.44Å; A343-K347 PolarHBondContact O-N 3.38Å; S344-K347 PolarHBondContact O-N 3.43Å; L345-K347 VanDerWaalsContact C-N 3.26Å; L345-K347 PolarHBondContact O-N 3.33Å
348Q71.6Confident77.4Confident161 Ų161109.3 Ų109.375%0.75265%0.645SS**THydrogen-bonded Turntrans-920.7178.3-72.3-167.4-23.800113.9S344 L345 A346 L350S344-Q348 PolarHBondContact O-N 3.38Å; L345-Q348 PolarHBondContact O-N 3.39Å; A346-Q348 VanDerWaalsContact C-N 3.34Å; Q348-L350 VanDerWaalsContact C-N 3.32Å; Q348-L350 PolarHBondContact O-N 3.29Å
349G65.5Low77.3Confident70 Ų70113.8 Ų113.872%0.72266%0.661SS**THydrogen-bonded Turntrans64.630.3167.800000115.1
350L48.1Very low76.8Confident216 Ų216113.1 Ų113.1100%1.13166%0.662SS**  trans-90.90170.8-139.187.1000111.9Q348Q348-L350 VanDerWaalsContact C-N 3.32Å; Q348-L350 PolarHBondContact O-N 3.29Å

Retrieved 350 of 350 residues in 93.8 ms (Link to these results)