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Microtubule-associated protein tau

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, Species MOUSE (Mus musculus, Mouse), Gene Mapt, Length 733 aa.

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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
1M51.8Low50.4Low241 Ų241151.7 Ų151.7100%1.18778%0.776SS**  0121.50-60.7-54.9-162.100107.5
2A50.5Low50.2Low83 Ų83150.1 Ų150.169%0.68676%0.762SS**  cis-179.9102.3-32.100000104.8P4A2-P4 WeakPolarHBondContact O-CD 3.27Å
3D50.8Low50.1Low173 Ų173149 Ų14993%0.92576%0.76SS**  trans-81.7134.2167.8-71.6-56.3000109.7
4P58.5Low49.9Very low97 Ų97149.2 Ų149.263%0.6376%0.756SS**  trans-135.2141.1154.636.8-22.2000112.4A2A2-P4 WeakPolarHBondContact O-CD 3.27Å
5R49Very low49.8Very low216 Ų216146.4 Ų146.482%0.81576%0.764SS**  trans75.5153141-69.7172.5179.9-110.38.1118.2
6Q51.3Low49.7Very low104 Ų104141.8 Ų141.849%0.48676%0.763SS.*  cis-165.7162.5-16.5175.6155.710.100109.9F8Q6-F8 HydrophobicContact CB-CE1 4.17Å; Q6-F8 HydrophobicContact CB-CZ 4.47Å; Q6-F8 HydrophobicContact CG-CE1 4.25Å
7E42.7Very low49.1Very low160 Ų160142.9 Ų142.975%0.74877%0.769SS**  trans-73.2127.2176.2-45.8100.1138.300113.2
8F48.1Very low48.4Very low158 Ų158147.8 Ų147.869%0.69378%0.776SS**  trans-159.7125.3153.814.5-100.9000105.5Q6Q6-F8 HydrophobicContact CB-CE1 4.17Å; Q6-F8 HydrophobicContact CB-CZ 4.47Å; Q6-F8 HydrophobicContact CG-CE1 4.25Å
9D45.6Very low48.2Very low161 Ų161146.1 Ų146.186%0.86177%0.772SS**  cis6261.537.7-78.4-36.6000114.6
10T51.2Low48.1Very low116 Ų116144.4 Ų144.471%0.71276%0.763SS**  trans-155.1118.1146.726.60000105.1
11M54.8Low47.7Very low160 Ų160144.6 Ų144.679%0.78876%0.764SS**  80.8170.675.1-162.3163.5166.200111.1
12E48.6Very low47.2Very low132 Ų132139.8 Ų139.862%0.61774%0.739SS**  trans6389.7-170.5-72.658.9-120.500113
13D47.8Very low46.7Very low136 Ų136142.1 Ų142.173%0.72774%0.74SS**  75.9160.366.2-164.114.7000113
14H47.9Very low46.4Very low152 Ų152142.4 Ų142.470%0.70474%0.735SS**  trans90.588.1170.1-49.8-22.6000117.7
15A48.4Very low45.5Very low107 Ų107145.9 Ų145.988%0.88474%0.743SS**  trans72.8128.3137.500000119.2
16G47.6Very low45.2Very low72 Ų72139.9 Ų139.974%0.74275%0.749SS**SBendtrans-177.4-53.8172.300000113.9
17D39.9Very low44.6Very low161 Ų161140.7 Ų140.786%0.86176%0.756SS**  trans-134.570.9179.6-87.7-48.7000111
18Y35.9Very low45Very low231 Ų231139.8 Ų139.891%0.90675%0.754SS**  trans-114.771.4164.5-109.9-72.7000109.2
19T46Very low44.7Very low115 Ų115138.9 Ų138.971%0.70676%0.756SS**  trans-143.4108.6150.135.90000107.4
20L45.7Very low44.5Very low113 Ų113139 Ų13959%0.59275%0.751SS**  80.998.791.4-156.668000108Q22L20-Q22 VanDerWaalsContact C-N 3.33Å; L20-Q22 HydrophobicContact CD1-CG 4.39Å; L20-Q22 HydrophobicContact CD2-CG 4.28Å; L20-Q22 HydrophobicContact CG-CB 4.13Å; L20-Q22 HydrophobicContact CG-CG 3.99Å
21L39.9Very low43.9Very low149 Ų149136.7 Ų136.778%0.7875%0.75SS**  cis51.65245.4-136.6-177000110.8
22Q42Very low43.1Very low140 Ų140137.7 Ų137.765%0.65476%0.758SS**  trans-140.185163.3-105.6164.811.900108.4L20 Q24L20-Q22 VanDerWaalsContact C-N 3.33Å; L20-Q22 HydrophobicContact CD1-CG 4.39Å; L20-Q22 HydrophobicContact CD2-CG 4.28Å; L20-Q22 HydrophobicContact CG-CB 4.13Å; L20-Q22 HydrophobicContact CG-CG 3.99Å; Q22-Q24 PolarHBondContact O-N 2.88Å
23D39.1Very low42.7Very low131 Ų131140.2 Ų140.270%0.70177%0.766SS**  37.486110.2-44.2-26.8000114.9
24Q43.5Very low42.1Very low179 Ų179141.4 Ų141.484%0.83677%0.768SS**  trans-98.490.2146.1-79.4-171.3-8.300108.7Q22 G26Q22-Q24 PolarHBondContact O-N 2.88Å; Q24-G26 PolarHBondContact O-N 3.23Å
25E41.5Very low41.8Very low171 Ų171139.8 Ų139.880%0.79977%0.774SS**  trans58.949.5137.5-67.9149.7-14800115.6D27E25-D27 PolarHBondContact O-N 2.77Å
26G40.9Very low42Very low90 Ų90140.5 Ų140.593%0.92877%0.769SS**  trans-71.353.115000000112.5Q24Q24-G26 PolarHBondContact O-N 3.23Å
27D40.4Very low41.7Very low121 Ų121142.7 Ų142.765%0.64777%0.77SS**  trans-98.8106.7160.1-168.547.7000108.3E25E25-D27 PolarHBondContact O-N 2.77Å
28M49.8Very low41.8Very low140 Ų140143.4 Ų143.469%0.6977%0.768SS**SBendtrans46.9122.7162.5-51.3-177.6-162.200117.8
29D42.5Very low42.2Very low139 Ų139137.8 Ų137.874%0.74376%0.76SS**  cis-133.2139.522.7-86.6-63.3000110.2
30H41.7Very low42.4Very low165 Ų165137.5 Ų137.576%0.76476%0.761SS**  51.8141.276.6-60.5-66.8000114.9
31G38.5Very low42.6Very low66 Ų66136.1 Ų136.168%0.6877%0.765SS**  trans101.147.815600000118.7K33G31-K33 PolarHBondContact O-N 2.79Å
32L37.6Very low43.1Very low181 Ų181136.2 Ų136.295%0.94877%0.766SS**  trans23.797.1137-63.1173.1000117.6
33K40.7Very low43.4Very low185 Ų185136.9 Ų136.980%0.80478%0.775SS**  trans-129.9140.6156.9-82.4-165.3178-165.10108.4G31G31-K33 PolarHBondContact O-N 2.79Å
34E33.9Very low43.8Very low162 Ų162133.7 Ų133.776%0.75777%0.772SS**  cis-162.91161.3173.7176.912000108.7
35S42.2Very low44.1Very low118 Ų118128.8 Ų128.883%0.82576%0.763SS**  trans-169.7156.4170.9-90.60000111.9
36P52.9Low44.5Very low122 Ų122125.6 Ų125.679%0.79275%0.748SS**  trans-89.9169.1-136.8-14.332.7000117.7
37P40.6Very low44.8Very low117 Ų117127.7 Ų127.776%0.7673%0.733SS**  trans-93.6168.4-164.238.4-38.5000116.5
38Q43.3Very low45.4Very low176 Ų176125.6 Ų125.682%0.82273%0.726SS**  trans17.8157.2142.4-91.8-171.1-10.900121.9
39P44.3Very low45.4Very low114 Ų114121.6 Ų121.674%0.7472%0.721SS**  -150.2-153.452.439.3-13000115
40P48.9Very low45.9Very low109 Ų109120.8 Ų120.871%0.70873%0.726SS**  -138.5-173.2-78.145-28.3000116.4
41A50.7Low46.4Very low83 Ų83121.6 Ų121.669%0.68673%0.73SS**  trans85.4162.6141.800000123.3
42D49.2Very low47.4Very low151 Ų151124.4 Ų124.481%0.80774%0.735SS**  trans65.1143.4170.3-67.6-150.3000120.6
43D49.8Very low48.2Very low155 Ų155121.1 Ų121.183%0.82973%0.726SS**  cis-169.9162.2-31.2-144.2-28000111.5
44G46.8Very low48.8Very low63 Ų63119.1 Ų119.165%0.64973%0.725SS**  trans102.498.7147.900000124.2
45A49.8Very low49.7Very low77 Ų77114.3 Ų114.364%0.63671%0.713SS**  78.8142.512100000126.9E271A45-E271 WeakPolarHBondContact CA-OE1 3.43Å
46E49.9Very low50.2Low104 Ų104117.5 Ų117.549%0.48671%0.712SS.*  trans102.396.6154-51-63.6147.400121.3E271 G272E46-E271 VanDerWaalsContact CA-CD 3.42Å; E46-E271 WeakPolarHBondContact CA-OE2 3.37Å; E46-E271 PolarHBondContact N-OE1 2.78Å; E46-E271 PolarHBondContact N-OE2 3.02Å; E46-E271 VanDerWaalsContact N-OE2 3.09Å; E46-E271 VanDerWaalsContact OE2-CA 3.25Å; E46-E271 WeakPolarHBondContact OE2-CA 2.98Å; E46-G272 PolarHBondContact OE2-N 3.14Å
47E46.6Very low50Low134 Ų134116 Ų11663%0.62670%0.704SS**  trans-75.3-134.5174.8-156.7-162.7-105.900115.9G49 E271 G272 H273E47-G49 PolarHBondContact OE2-N 2.87Å; E47-G49 VanDerWaalsContact OE2-N 3.14Å; E47-E271 PolarHBondContact N-OE2 3.44Å; E47-G272 CarbonylContact O-C 3.38Å; E47-G272 WeakPolarHBondContact O-CA 3.45Å; E47-H273 PolarHBondContact O-N 2.9Å
48P54.6Low50.5Low76 Ų76116.5 Ų116.549%0.49471%0.705SS.*  cis-129.5-168.917.743.8-22.4000115.6H273P48-H273 WeakPolarHBondContact CD-O 3.39Å
49G48.9Very low51.3Low56 Ų56113.8 Ų113.858%0.57770%0.703SS**  trans-110.8-178.8-176.500000119.9E47E47-G49 PolarHBondContact OE2-N 2.87Å; E47-G49 VanDerWaalsContact OE2-N 3.14Å
50S54.2Low51.3Low123 Ų123114.7 Ų114.786%0.8671%0.706SS**  trans-176.2103.9164.3-76.30000108.8
51E52.1Low51.3Low181 Ų181113.6 Ų113.685%0.84671%0.707SS**  63.2116.186.7-165178.7117.700117.4
52T57.8Low51.7Low126 Ų126113.9 Ų113.977%0.77369%0.694SS**  trans-171.9125.814114.10000109.3
53S56.1Low51.7Low111 Ų111112.8 Ų112.878%0.77669%0.688SS**  58.6133.597-57.50000115.4
54D51.6Low51.9Low144 Ų144108.8 Ų108.877%0.7767%0.669SS**  cis-141.1-170.55.2-165.333.9000106.1
55A53.3Low52.1Low61 Ų61111.9 Ų111.950%0.50468%0.676SS.*  cis-164.9146.115.900000114.5
56K53.7Low52.4Low184 Ų184112.2 Ų112.280%0.868%0.678SS**  trans67.1151.1148.5-67.4157.6-171.2157.20118.1
57S47.6Very low52.5Low90 Ų90110.8 Ų110.863%0.62968%0.678SS**  cis-152.7120.55.2-138.60000115.6
58T52.1Low52.9Low128 Ų128112.3 Ų112.379%0.78569%0.69SS**  trans62.2152.5130.950.20000123.4
59P59.3Low53.2Low119 Ų119115.1 Ų115.177%0.77371%0.705SS**  trans-134.4-177.1-146.643.6-25.9000117.3
60T44.2Very low53.3Low133 Ų133119.3 Ų119.382%0.81671%0.714SS**  trans-168.4133.9156.3-750000107.5
61A50Low53Low87 Ų87120.2 Ų120.272%0.71971%0.705SS**  cis101.2129.314.800000114.9
62E58.5Low52.8Low88 Ų88123.3 Ų123.341%0.41171%0.709SS.*  cis-162.3147.6-16.5-86.6-170.5139.900108.1L383 S384 P385E62-L383 HydrophobicContact CB-CB 3.77Å; E62-L383 HydrophobicContact CB-CD1 4.34Å; E62-L383 VanDerWaalsContact O-CD1 3.27Å; E62-L383 WeakPolarHBondContact O-CD1 3.27Å; E62-L383 VanDerWaalsContact OE2-CA 3.31Å; E62-L383 WeakPolarHBondContact OE2-CA 3.35Å; E62-L383 WeakPolarHBondContact OE2-CB 3.35Å; E62-L383 PolarHBondContact OE2-N 2.9Å; E62-S384 WeakPolarHBondContact OE1-CA 3.48Å; E62-S384 PolarHBondContact OE1-N 3.09Å; E62-S384 PolarHBondContact OE2-N 2.99Å; E62-P385 VanDerWaalsContact CD-CD 3.47Å; E62-P385 HydrophobicContact CG-CG 4.14Å; E62-P385 WeakPolarHBondContact OE1-CD 3.31Å
63D49Very low53.1Low129 Ų129120.1 Ų120.169%0.6970%0.695SS**  trans-162.8171.8167.3-1563.3000114.3
64V53.4Low53.3Low71 Ų71120.1 Ų120.143%0.4369%0.693SS.*  trans-147147.3-167.6174.30000115.4S384V64-S384 WeakPolarHBondContact CG2-O 3.05Å
65T52.5Low53.1Low128 Ų128119 Ų11979%0.78569%0.686SS**  trans140.2136.7143.6-63.30000110.9
66A54.5Low53.1Low83 Ų83123 Ų12369%0.68669%0.693SS**  cis174.7163.9-20.200000106.2
67P53.2Low52.8Low75 Ų75122.9 Ų122.949%0.48770%0.695SS.*  trans-114.7173.8-161.344-39.2000116.3P388P67-P388 HydrophobicContact CB-CB 4.08Å; P67-P388 HydrophobicContact CB-CG 4.29Å; P67-P388 HydrophobicContact CG-CB 3.83Å
68L55.3Low52.5Low166 Ų166122.6 Ų122.687%0.86970%0.698SS**  trans-175.1160.9138.2-158.958000115.2
69V59.4Low52Low134 Ų134121.4 Ų121.481%0.81270%0.701SS**  trans101.3145.9158.2-169.20000116.7
70D51.6Low51.1Low145 Ų145119.8 Ų119.878%0.77570%0.698SS**  trans-147.5157.3-147-168.5-132.8000113.8
71E47.5Very low51.3Low142 Ų142122.1 Ų122.166%0.66470%0.699SS**  trans41.5137.1159-103.8-83.86100124.4A73E71-A73 PolarHBondContact OE1-N 3.15Å
72R49.3Very low51.2Low245 Ų245122.5 Ų122.593%0.92570%0.695SS**  trans-162.872.8147.9-159.5-177.9-178.7-136.9-3.6115.1
73A64Low50.2Low60 Ų60126.9 Ų126.950%0.49672%0.715SS.*  trans-2.6171.4138.200000121.2E71E71-A73 PolarHBondContact OE1-N 3.15Å
74P58.9Low49.8Very low111 Ų111126.4 Ų126.472%0.72172%0.717SS**  cis-143.3176.9-49.741.6-26.2000113.6
75D48.6Very low49.2Very low119 Ų119130.7 Ų130.764%0.63673%0.732SS**  173.4140.9127-109.3-22.3000117.5
76K52Low49Very low146 Ų146131.6 Ų131.664%0.63573%0.731SS**  trans53.9112.2142.7-66.7169.4-177.180.80120.7
77Q49Very low48.9Very low181 Ų181133 Ų13385%0.84673%0.733SS**  74.4135.389-78.4-175.6-49.500115.6
78A40.3Very low48.9Very low85 Ų85138.5 Ų138.570%0.70275%0.752SS**  cis-163.8168.6-2.900000112.1
79A42.5Very low48.6Very low102 Ų102133.6 Ų133.684%0.84374%0.742SS**  trans44.2139.5146.700000122.2
80A40.5Very low48.3Very low86 Ų86133.2 Ų133.271%0.71173%0.734SS**  cis-170.4141.7-6.200000113.5
81Q47.2Very low48.3Very low181 Ų181128 Ų12885%0.84671%0.707SS**  trans68.7156.1145.7-63.3-61.5-58.500121
82P47.4Very low48.7Very low96 Ų96123.4 Ų123.462%0.62369%0.694SS**  trans-139-170.9-144.345.4-27.1000116.2
83H39.5Very low49.1Very low179 Ų179116.6 Ų116.683%0.82967%0.673SS**  trans-147.5128.8165.8-73.2-74.2000113.3
84T39.7Very low48.5Very low119 Ų119120.1 Ų120.173%0.7368%0.679SS**  trans43.8145140.454.70000122.8
85E40Very low48.2Very low161 Ų161118.9 Ų118.975%0.75268%0.678SS**  cis-177.6-168.3-13.5-151.6-172.4119.500110
86I49.5Very low48.3Very low147 Ų147116.9 Ų116.975%0.75469%0.685SS**  trans76.5149.8158.543.4178.7000121.5
87P51.7Low48Very low113 Ų113118.8 Ų118.873%0.73470%0.701SS**  -142.6-125.4-129.545-21.7000116.8
88E52.3Low48Very low190 Ų190113.3 Ų113.389%0.88869%0.693SS**  trans81.9141.9176.3-57.3176.7-157.800117.8
89G50.7Low48.5Very low64 Ų64117.1 Ų117.166%0.6670%0.701SS**  cis171.8-173-7.100000114.8
90I52.3Low49.1Very low125 Ų125119 Ų11964%0.64170%0.702SS**  trans75.8127.2147.879.3166.3000124.7
91T52.1Low50Low36 Ų36121 Ų12122%0.22171%0.708CS.*  trans108.4121.8133.273.70000131.2N660 K661 K662 E664T91-N660 CarbonylContact C-O 3.49Å; T91-K661 WeakPolarHBondContact CA-O 3.45Å; T91-K662 VanDerWaalsContact CA-N 3.32Å; T91-K662 HydrophobicContact CG2-CB 3.97Å; T91-K662 HydrophobicContact CG2-CG 4.48Å; T91-K662 VanDerWaalsContact CG2-N 3.28Å; T91-K662 PolarHBondContact O-NZ 3.11Å; T91-K662 PolarHBondContact OG1-NZ 2.98Å; T91-E664 HydrophobicContact CG2-CG 3.97Å; T91-E664 PolarHBondContact OG1-OE1 2.93Å
92A55.7Low50Low46 Ų46119.8 Ų119.838%0.3871%0.707SS.*  trans-165.5144.8157.600000118N660 K661 K662A92-N660 HydrophobicContact CB-CB 4.18Å; A92-N660 PolarHBondContact N-O 2.7Å; A92-N660 CarbonylContact O-C 2.8Å; A92-N660 WeakPolarHBondContact O-CB 3.35Å; A92-K661 WeakPolarHBondContact O-CA 3.33Å; A92-K661 PolarHBondContact O-N 2.83Å; A92-K662 VanDerWaalsContact CA-CG 3.42Å
93E56.5Low50.5Low102 Ų102123.1 Ų123.148%0.47772%0.715SS.*  trans-106.1177.8-167-71.7-666900118.2K661 K662E93-K661 WeakPolarHBondContact OE1-CA 3.38Å; E93-K661 VanDerWaalsContact OE1-CB 3.23Å; E93-K661 WeakPolarHBondContact OE1-CB 3.42Å; E93-K661 WeakPolarHBondContact OE1-CG 3.22Å; E93-K661 IonicContact OE1-NZ 2.81Å; E93-K661 PolarHBondContact OE1-NZ 3.28Å; E93-K661 IonicContact OE2-NZ 2.7Å; E93-K661 PolarHBondContact OE2-NZ 3.42Å; E93-K662 HydrophobicContact CG-CB 3.85Å; E93-K662 HydrophobicContact CG-CG 4.01Å; E93-K662 WeakPolarHBondContact OE1-CA 3.27Å
94E51.7Low51.4Low134 Ų134121 Ų12163%0.62671%0.705SS**  cis-165.5167.41.8-127.9-57.471.800116.1K661E94-K661 WeakPolarHBondContact OE1-CE 3.33Å; E94-K661 IonicContact OE1-NZ 2.78Å; E94-K661 PolarHBondContact OE1-NZ 2.9Å
95A52.6Low52.3Low85 Ų85123.2 Ų123.270%0.70271%0.713SS**  trans68.2149.114500000127.1
96G50.7Low53.6Low77 Ų77122.3 Ų122.379%0.79471%0.708SS**  trans149134.2156.700000119.3
97I46.6Very low53.5Low186 Ų186119.9 Ų119.995%0.95471%0.71SS**  trans-143.1141.9177.1-51.8168.7000110.8
98G48.7Very low53.5Low66 Ų66119.5 Ų119.568%0.6872%0.717SS**  trans171.4120.5165.600000118.2
99D50Low53.2Low164 Ų164113.9 Ų113.988%0.87771%0.71SS**  trans37.8124.6149.2-54.3-21.6000123.4
100T55.2Low52.6Low141 Ų141119.3 Ų119.387%0.86572%0.718SS**  trans-122.9130.1146.748.10000110.4
101P60.6Low52.4Low130 Ų130118.7 Ų118.784%0.84472%0.719SS**  trans-88.4152.6-171.233.8-35.9000114.2
102N46.3Very low51.7Low154 Ų154123.3 Ų123.382%0.82475%0.748SS**  trans-87.7131.1175.2-179.63.2000111.8
103Q57.8Low51Low166 Ų166130.1 Ų130.178%0.77677%0.772SS**  trans-150.6151.5162.9-80.9-165.6-22.100109.6
104E58.6Low50.1Low134 Ų134129 Ų12963%0.62679%0.788SS**  cis-167.6116.8-23.5-177.3170.390.100106.4Q106E104-Q106 VanDerWaalsContact CD-NE2 3.26Å; E104-Q106 HydrophobicContact CG-CG 4.39Å; E104-Q106 PolarHBondContact OE1-NE2 2.96Å
105D59.9Low49.4Very low167 Ų167132.3 Ų132.389%0.89379%0.794SS**  trans-110.2133.5172.1-168.519.3000110.4
106Q66.3Low48.9Very low141 Ų141137 Ų13766%0.65979%0.794SS**  trans-10497.6-156.3-80.9-73.1-7.900112.4E104E104-Q106 VanDerWaalsContact CD-NE2 3.26Å; E104-Q106 HydrophobicContact CG-CG 4.39Å; E104-Q106 PolarHBondContact OE1-NE2 2.96Å
107A47.1Very low48Very low96 Ų96142.1 Ų142.179%0.79380%0.797SS**  trans-83.813117500000113.1
108A51.1Low47.6Very low105 Ų105137 Ų13787%0.86879%0.79SS**  trans-166148158.500000114
109G46.6Very low47Very low72 Ų72142.8 Ų142.874%0.74280%0.799SS**  trans85.4101.3165.800000115.1
110H39.3Very low46.4Very low179 Ų179139.2 Ų139.283%0.82979%0.793SS**  cis68.8151.527.2-166.1-107.3000115.7
111V47.4Very low46.2Very low112 Ų112138.5 Ų138.568%0.67979%0.79SS**  trans87.583.5-179.5-165.10000117.5
112T38.1Very low45.1Very low133 Ų133139.2 Ų139.282%0.81679%0.787SS**  trans-46.7122.3149.1-51.40000114.3
113Q40.5Very low44.9Very low188 Ų188139.8 Ų139.888%0.87979%0.789SS**  trans-170.4118.8147.5-115.6-177.12700117
114G37.9Very low43.8Very low79 Ų79134.4 Ų134.481%0.81478%0.778SS**  trans72.9178.2149.700000119.6
115R37.2Very low43Very low203 Ų203134.6 Ų134.677%0.76679%0.788SS**  cis-174.2139.3-20170.9171.6-171.8-128.19.7111.2
116R40.9Very low42Very low184 Ų184131.1 Ų131.169%0.69478%0.778SS**  trans69.8142.9175.4-72.9167.2174.4-177.3-5.2114.8
117E32.5Very low40.6Very low185 Ų185131.2 Ų131.286%0.86478%0.782SS**  cis75.2112.737.6-62.4-179123.400114.6
118G37Very low40.1Very low77 Ų77138.2 Ų138.279%0.79479%0.789SS**  trans179.436.2-175.900000122.2
119Q35.8Very low39.6Very low189 Ų189138.7 Ų138.788%0.88378%0.781SS**  trans55.5143.7140.1-169.1159.115.700123.6
120A39.3Very low39.4Very low89 Ų89145.2 Ų145.274%0.73678%0.783SS**  trans75.5158.4156.300000118.5
121P50.9Low39.3Very low125 Ų125144.7 Ų144.781%0.81278%0.781SS**  cis-119.3157.110.540.7-28.3000117.9
122D35.8Very low38.8Very low146 Ų146146.6 Ų146.678%0.78178%0.782SS**  trans-89.5162.3158.1174.135.2000110
123L42.5Very low38.9Very low166 Ų166146.1 Ų146.187%0.86978%0.779SS**  trans145.1115.5171-86158.3000109.2
124G35.2Very low38.9Very low53 Ų53142.6 Ų142.655%0.54678%0.775SS.*  cis108.996.5-7.800000115.1
125T41.7Very low38.8Very low137 Ų137143.8 Ų143.884%0.8477%0.771SS**  trans-167.2134.616018.80000114.3
126S39Very low38.9Very low95 Ų95142.4 Ų142.466%0.66478%0.775SS**  trans45.2123.8150.858.80000121
127D37.1Very low38.7Very low142 Ų142139.3 Ų139.376%0.75978%0.782SS**  71.3116.255.7-69.7-55.4000116.3
128W37.4Very low39.3Very low244 Ų244134 Ų13492%0.92478%0.777SS**  -167.9161.3103.4-153.5-98.8000112.5
129T38.6Very low39.4Very low114 Ų114135.1 Ų135.170%0.69978%0.778SS**  trans-117.3140.9-175.3-62.10000113
130R43.5Very low40Very low209 Ų209131.7 Ų131.779%0.78977%0.772SS**  trans-156.6145.5148.4-140.1172.8-178.5-85.33115.3
131Q37.2Very low40.3Very low168 Ų168136 Ų13679%0.78578%0.782SS**  trans-86.3164.1172.4-55.3166.6-5.200111.6
132Q37.8Very low39.7Very low153 Ų153138.1 Ų138.172%0.71579%0.786SS**  -167.5122.8117.5-105.8-177.6-113.700115.4
133V39Very low40.3Very low123 Ų123136 Ų13675%0.74578%0.78SS**  trans21146.5146-111.10000124.7
134S41.2Very low40.5Very low114 Ų114137.7 Ų137.780%0.79778%0.783SS**  trans115.3151.3135.5-73.30000119.1
135S35.8Very low40.7Very low103 Ų103137.8 Ų137.872%0.7278%0.784SS**  trans-131.9-178.4-158.7-48.80000112.2
136M39.2Very low40.6Very low175 Ų175139 Ų13986%0.86279%0.785SS**  trans75.5159.5174.2-47.3-74.388.200114.5
137S36.3Very low40.8Very low119 Ų119143.4 Ų143.483%0.83279%0.787SS**  cis-178.5140.2-32.4-177.90000106.6
138G44.8Very low40.9Very low73 Ų73145 Ų14575%0.75379%0.79SS**  trans177133.5177.100000113.4
139A40.1Very low41Very low100 Ų100137 Ų13783%0.82678%0.775SS**  trans-147.4-157.5-167.200000112.5
140P48.7Very low40.9Very low117 Ų117137.4 Ų137.476%0.7678%0.778SS**  -125.5179.1-127.136.8-15.5000116.3
141L43.8Very low40.5Very low179 Ų179132.5 Ų132.594%0.93777%0.774SS**  trans-141.2171.7170.5-75.3-179.1000114
142L38.2Very low40.5Very low171 Ų171132.6 Ų132.690%0.89578%0.775SS**  trans-139.1-170.3-149.5-96174.1000114.4
143P49.2Very low41Very low101 Ų101130.3 Ų130.366%0.65677%0.773SS**  trans-119.6179.7-143.846.1-38.6000118.7
144Q47.4Very low41.1Very low202 Ų202130 Ų13094%0.94478%0.777SS**  trans-173.2170160-102.8144.6101.300111.4
145G38.1Very low41.1Very low55 Ų55127.9 Ų127.957%0.56777%0.773SS**  cis168.799-9.900000117.7R147G145-R147 PolarHBondContact O-NH1 3.12Å
146L40.8Very low41.3Very low162 Ų162130 Ų13085%0.84878%0.781SS**  trans67.5152.1156.4-76.9167.8000123.3
147R42.7Very low41.1Very low188 Ų188128.8 Ų128.871%0.70977%0.767SS**  trans77.9123.514989.4-150.7158-82.615.6120.6G145G145-R147 PolarHBondContact O-NH1 3.12Å
148E39.5Very low41.6Very low176 Ų176128.8 Ų128.882%0.82276%0.764SS**  106.1164.389-93179.811400110.5
149A38.4Very low41.3Very low74 Ų74131.2 Ų131.261%0.61276%0.756SS**  cis-174.4171.3-37.300000109.6
150T37.6Very low41.4Very low124 Ų124131.8 Ų131.876%0.76175%0.745SS**  trans74.8135.7165.6-46.10000116.6
151C35.1Very low41.3Very low105 Ų105133.3 Ų133.371%0.70975%0.745SS**  cis119.3157.9-2-66.90000115.3
152Q36.3Very low41.1Very low171 Ų171131.9 Ų131.980%0.79973%0.734SS**  trans82.3160.3165.7-53.4-58-17.700118.6
153P48.5Very low41.2Very low104 Ų104132.4 Ų132.468%0.67573%0.729SS**  cis-131.7169.4-5.732.9-13.9000117.3
154S41Very low40.8Very low118 Ų118131.9 Ų131.983%0.82573%0.728SS**  trans60.5149149.758.60000120.5
155G40.9Very low40.4Very low69 Ų69130.9 Ų130.971%0.71172%0.723SS**  cis-177.7163.8-3.700000107.1
156T40Very low40.7Very low146 Ų146133.5 Ų133.590%0.89673%0.729SS**  cis-156.7165.730.2460000112.5
157R35.6Very low40.5Very low151 Ų151129.8 Ų129.857%0.5772%0.722SS**  trans-82.5173.7172-140.8-168.374.9-173.94.3111.9E159 D160R157-E159 WeakPolarHBondContact CD-OE1 3.2Å; R157-E159 IonicContact CZ-OE1 3.91Å; R157-E159 IonicContact CZ-OE2 2.63Å; R157-E159 VanDerWaalsContact NE-CD 3.34Å; R157-E159 VanDerWaalsContact NE-N 3.18Å; R157-E159 IonicContact NE-OE1 3.13Å; R157-E159 PolarHBondContact NE-OE1 3.42Å; R157-E159 IonicContact NE-OE2 2.94Å; R157-E159 IonicContact NH1-OE1 2.76Å; R157-E159 PolarHBondContact NH1-OE1 3.26Å; R157-E159 IonicContact NH1-OE2 2.82Å; R157-E159 PolarHBondContact NH1-OE2 2.78Å; R157-E159 VanDerWaalsContact NH2-CD 3.35Å; R157-E159 IonicContact NH2-OE1 3.89Å; R157-E159 IonicContact NH2-OE2 2.9Å; R157-E159 PolarHBondContact NH2-OE2 3.19Å; R157-D160 IonicContact NH2-OD2 3.44Å; R157-D160 PolarHBondContact NH2-OD2 3.4Å
158P46.4Very low40.3Very low119 Ų119125.9 Ų125.977%0.77372%0.724SS**  -134.7176.873.1212.7000115.8
159E39.6Very low40.2Very low123 Ų123125.2 Ų125.258%0.57572%0.721SS**  trans-97-176.3170.7-74.5149.4-155.400107.5R157R157-E159 WeakPolarHBondContact CD-OE1 3.2Å; R157-E159 IonicContact CZ-OE1 3.91Å; R157-E159 IonicContact CZ-OE2 2.63Å; R157-E159 VanDerWaalsContact NE-CD 3.34Å; R157-E159 VanDerWaalsContact NE-N 3.18Å; R157-E159 IonicContact NE-OE1 3.13Å; R157-E159 PolarHBondContact NE-OE1 3.42Å; R157-E159 IonicContact NE-OE2 2.94Å; R157-E159 IonicContact NH1-OE1 2.76Å; R157-E159 PolarHBondContact NH1-OE1 3.26Å; R157-E159 IonicContact NH1-OE2 2.82Å; R157-E159 PolarHBondContact NH1-OE2 2.78Å; R157-E159 VanDerWaalsContact NH2-CD 3.35Å; R157-E159 IonicContact NH2-OE1 3.89Å; R157-E159 IonicContact NH2-OE2 2.9Å; R157-E159 PolarHBondContact NH2-OE2 3.19Å
160D42.2Very low40.2Very low113 Ų113127.6 Ų127.660%0.60472%0.723SS**  175.6155.364.4-96.3-68.3000111.4R157R157-D160 IonicContact NH2-OD2 3.44Å; R157-D160 PolarHBondContact NH2-OD2 3.4Å
161I45.9Very low40.3Very low149 Ų149128.1 Ų128.176%0.76472%0.72SS**  trans65.9148150.9-68.4165.2000118.1
162E39.2Very low40.6Very low149 Ų149132.7 Ų132.770%0.69672%0.722SS**  cis175.8137-24.8-176.6-156.3110.900107.2
163K41.8Very low40.5Very low181 Ų181135.5 Ų135.579%0.78773%0.726SS**  trans176.9128.9141.2-101.7148.3-168.1151.40119
164S39.5Very low39.8Very low90 Ų90134 Ų13463%0.62973%0.729SS**  trans45.6107.7138.964.50000123.8
165H38.4Very low40.1Very low182 Ų182134.4 Ų134.484%0.84373%0.729SS**  44.6161.496.4-63.8-58.7000122
166P45Very low40.3Very low109 Ų109136 Ų13671%0.70873%0.727SS**  cis-146.8-156.3-42.343.2-24000113.4
167A36.9Very low40.2Very low84 Ų84137.7 Ų137.769%0.69472%0.724SS**  trans76.4156.9147.500000120.6
168S39.3Very low40.5Very low107 Ų107138.4 Ų138.475%0.74873%0.731SS**  cis-173.2138.9-21.4-95.80000113.5
169E35.8Very low39.8Very low161 Ų161139.1 Ų139.175%0.75273%0.725SS**  trans57.2149.1134.7-89.2-82.684.500125.6
170L39.2Very low40Very low125 Ų125136.2 Ų136.265%0.65473%0.727SS**  trans83.7129149.1-66.2158.7000125.1
171L40Very low39.5Very low134 Ų134142.1 Ų142.170%0.70274%0.741SS**  trans71.8148.8145.3-90.965000120.1
172R40.9Very low39.2Very low202 Ų202138.1 Ų138.176%0.76274%0.737SS**  cis-148155.4-2.1-102-156.9-176.5-140.4-4.9114.8
173R34Very low39.1Very low230 Ų230139.3 Ų139.387%0.86874%0.742SS**  trans-7.5147.9152.2-60.9176.2167.2-129.4-0.5121.7
174G33.9Very low38.7Very low73 Ų73135.5 Ų135.575%0.75373%0.731SS**  143.7117.1129.200000119.8
175P48.2Very low38.6Very low126 Ų126140.6 Ų140.682%0.81874%0.736SS**  trans-102.4-166165.543.9-36.2000111.1
176P44.7Very low38.2Very low102 Ų102139.3 Ų139.366%0.66274%0.735SS**  cis-145.8-175.36.244.1-23.5000119
177Q38.7Very low37.6Very low182 Ų182137.7 Ų137.785%0.8574%0.738SS**  trans77158.7143-90.8176.3-39.300124.3
178K40.2Very low37.5Very low165 Ų165138.1 Ų138.172%0.71774%0.736SS**  trans74.1145.4169.1-77.5-166.3174.9-74.50118.4
179E32.6Very low37.2Very low135 Ų135142 Ų14263%0.63174%0.742SS**  cis-167.5163.9-19.8-160.8150.5-111.800111.4
180G43.7Very low37.3Very low61 Ų61142.5 Ų142.563%0.62974%0.744SS**  trans100.6148.416400000117.1
181W31.5Very low37Very low238 Ų238145 Ų14590%0.90275%0.753SS**  -179.1153.3-58.9-9316.3000109.2
182G39.3Very low37.4Very low65 Ų65144.5 Ų144.567%0.6776%0.755SS**  trans115121.7-177.700000112.3
183Q37.5Very low37.5Very low173 Ų173142.6 Ų142.681%0.80876%0.76SS**  cis58.6129.419.1-65.7-176.4116.300113.2
184D33Very low38.1Very low101 Ų101138 Ų13854%0.5475%0.748SS.*  cis-147.3-170.9-1.5-80.1-25.7000108.3
185R37Very low38.7Very low198 Ų198141.9 Ų141.975%0.74775%0.751SS**  cis-139.9176.77.5-111.9109-141.1-65.8-13.7107.7
186L31.7Very low38.7Very low155 Ų155142.2 Ų142.281%0.81275%0.746SS**  cis80.7127.827.2-70.3171.5000117.5
187G32.2Very low38.6Very low75 Ų75143.7 Ų143.777%0.77375%0.753SS**  trans85.9147.8-173.100000113
188S33.5Very low39.1Very low93 Ų93141 Ų14165%0.6575%0.749SS**  cis-153.4144.3-13.437.90000106.3
189E32.9Very low39.2Very low188 Ų188140.1 Ų140.188%0.87975%0.752SS**  48.473.26980.3-164.880.900115.6
190E38.9Very low39.6Very low171 Ų171142.6 Ų142.680%0.79976%0.763SS**  trans-162.8126.3154.9-97.7167.210700103.8
191E33.4Very low39.5Very low179 Ų179144.6 Ų144.684%0.83677%0.768SS**  cis75.478.329.4-157.2167.7142.600114.2
192V46.8Very low40.1Very low122 Ų122138.7 Ų138.774%0.73976%0.763SS**  trans-143.583.8152.5-172.50000108.2
193D43.8Very low40.3Very low162 Ų162144.1 Ų144.187%0.86677%0.771SS**  trans-123.659.8163.1-162.1-118.2000106.4D195D193-D195 PolarHBondContact O-N 3.14Å
194E47.4Very low40.6Very low134 Ų134142.4 Ų142.463%0.62677%0.767SS**  trans-97.253-169.7-65.2-159.7122.600112.8L196E194-L196 PolarHBondContact O-N 2.78Å
195D46.7Very low41.1Very low154 Ų154142.2 Ų142.282%0.82477%0.774SS**  trans-72.164.5155.8-90.4-14.4000108.7D193 T197D193-D195 PolarHBondContact O-N 3.14Å; D195-T197 VanDerWaalsContact C-N 3.26Å; D195-T197 PolarHBondContact O-N 2.86Å
196L47.4Very low41.6Very low134 Ų134138.5 Ų138.570%0.70278%0.775SS**  trans-7281.7176.1-83.1176.4000110.2E194 V198E194-L196 PolarHBondContact O-N 2.78Å; L196-V198 VanDerWaalsContact C-N 3.35Å; L196-V198 PolarHBondContact O-N 2.84Å
197T41.7Very low42.5Very low133 Ų133136.6 Ų136.682%0.81677%0.772SS**  trans-66.192.4167.558.80000110.1D195D195-T197 VanDerWaalsContact C-N 3.26Å; D195-T197 PolarHBondContact O-N 2.86Å
198V50Low43Very low125 Ų125138.3 Ų138.376%0.75877%0.773SS**  trans-96.6118.3150-66.80000106.1L196L196-V198 VanDerWaalsContact C-N 3.35Å; L196-V198 PolarHBondContact O-N 2.84Å
199D42.1Very low43.4Very low147 Ų147142.3 Ų142.379%0.78678%0.781SS**  57.3110.180.4-143-100.7000109.1
200E40.8Very low43.7Very low186 Ų186137.3 Ų137.387%0.86977%0.772SS**  cis-137.914045.8-170.2177.892.200111.8
201S41.8Very low43.7Very low104 Ų104134.1 Ų134.173%0.72777%0.768SS**  trans-126.2111.2-179.667.50000113.9
202S45Very low44.1Very low113 Ų113132.7 Ų132.779%0.7977%0.766SS**  trans-165.3132.2151-79.30000108
203Q43.5Very low43.9Very low179 Ų179133.1 Ų133.184%0.83677%0.768SS**  cis68.2138.341.5-60.6-138.9-63.300113.2
204D42.4Very low43.8Very low137 Ų137131.5 Ų131.573%0.73377%0.767SS**  cis-158.1178.6-14.2-176.726.8000108.7
205S43.6Very low43.4Very low97 Ų97128.8 Ų128.868%0.67878%0.775SS**  trans-76.2148.9-171.3-52.90000115.1
206P48.9Very low43Very low121 Ų121133.6 Ų133.679%0.78678%0.781SS**  trans-96.3167.2166.738.7-34.4000112.3
207P50.2Low42.6Very low115 Ų115132.2 Ų132.275%0.74779%0.789SS**  trans-142.2124152.634.5-17.7000116.7
208S41.3Very low42.4Very low111 Ų111130.2 Ų130.278%0.77679%0.786SS**  trans64.5163.9134.2-52.90000120.3
209Q41.8Very low42.3Very low177 Ų177129.4 Ų129.483%0.82778%0.784SS**  cis-158.1155.613.3-149.4175.882.800113.9
210A39.4Very low42.2Very low83 Ų83131.7 Ų131.769%0.68679%0.789SS**  trans70152.7152.500000119.3
211S39.7Very low42.1Very low104 Ų104127.3 Ų127.373%0.72779%0.785SS**  cis-160.2157.13.7-9.80000114.3
212L40.9Very low42Very low149 Ų149126 Ų12678%0.7879%0.788SS**  trans7898.9142.7-67.3169.3000124.7
213T42.7Very low41.8Very low130 Ų130126.6 Ų126.680%0.79879%0.792SS**  77.6153.7126.155.40000123.8
214P41.5Very low41.6Very low129 Ų129121.4 Ų121.484%0.83879%0.787SS**  trans-122.8169.3-157.742.3-28.2000117.3
215G40.7Very low41.6Very low76 Ų76120.6 Ų120.678%0.78479%0.792SS**  trans-169.579.717800000120.1
216R37.1Very low41.4Very low255 Ų255121.9 Ų121.996%0.96280%0.795SS**  trans10.9113.8145.7-178.5-166.8-176.1-143.74.8120.2
217A38.9Very low40.9Very low105 Ų105122.4 Ų122.487%0.86880%0.8SS**  trans-173.5159.4137.600000113.7
218A38.7Very low40.4Very low91 Ų91120.3 Ų120.375%0.75280%0.8SS**  trans-126.8-171.4170.400000108.5
219P46.4Very low40.4Very low109 Ų109124.6 Ų124.671%0.70881%0.808SS**  cis-138.5175-3.643.5-27000116.2
220Q41.2Very low40.2Very low194 Ų194122.5 Ų122.591%0.90781%0.807SS**  trans172.2163.5145.9-100.4161.194.400110.7
221A39.3Very low40.4Very low94 Ų94123 Ų12378%0.77781%0.811SS**  cis-174.4130.2-4500000110.6
222G38.3Very low40.3Very low76 Ų76123.3 Ų123.378%0.78481%0.814SS**  trans84.1156.3167.800000117.7
223S41.4Very low40.7Very low126 Ų126122.7 Ų122.788%0.88182%0.816SS**  cis-176.2127.2-16.2440000112.9
224G38.3Very low41.2Very low71 Ų71122.3 Ų122.373%0.73282%0.816SS**  trans85.1-179.6166.200000117.3
225S42.7Very low41.3Very low119 Ų119119.3 Ų119.383%0.83281%0.808SS**  cis176.7160.5-21.3-89.90000110.1
226V39.7Very low41.2Very low124 Ų124123.5 Ų123.575%0.75281%0.812SS**  cis-172.2148.8-31700000110
227C39.5Very low42Very low132 Ų132116.4 Ų116.489%0.89280%0.798SS**  trans63160.7175.3-66.30000117.7
228G39Very low42.3Very low72 Ų72117.8 Ų117.874%0.74280%0.796SS**  cis169-179.7-7.500000114
229E41.1Very low42.5Very low200 Ų200121.4 Ų121.494%0.93580%0.797SS**  trans89.2168.1166.4-145148.5110.200120.6
230T38.5Very low42.7Very low133 Ų133119.3 Ų119.382%0.81680%0.796SS**  trans-128.7-178.7-140.568.30000114.5
231A42.3Very low42.8Very low94 Ų94114.5 Ų114.578%0.77778%0.784SS**  cis-139.9-132.815.800000113.4
232S37.7Very low43.2Very low111 Ų111116.6 Ų116.678%0.77679%0.786SS**  cis-155.9-163.917.3-164.40000112.6
233V50.4Low44Very low136 Ų136118.4 Ų118.482%0.82478%0.784SS**  trans-138.1167.1-161.8-86.40000116.8
234P52.8Low44.8Very low122 Ų122120.3 Ų120.379%0.79278%0.784SS**  trans-131.6-149.6-153.546.1-29.1000116.5
235G43Very low45.4Very low65 Ų65122.9 Ų122.967%0.6779%0.788SS**  trans-146168174.600000114
236L38.2Very low45.4Very low165 Ų165121.9 Ų121.986%0.86479%0.787SS**  trans-135.7-123.4-156.4-64.3174.7000118.9
237P53.6Low46Very low106 Ų106122.2 Ų122.269%0.68878%0.784SS**  -151-147.9-113.349.8-29.6000120.7
238T46.6Very low46.5Very low133 Ų133123.7 Ų123.782%0.81678%0.775SS**  trans85.2150.4159.2300000120.4
239E43.5Very low46.7Very low167 Ų167128.1 Ų128.178%0.7878%0.775SS**  cis-117.7-139.71.9-151.9-164.787.900112S241E239-S241 WeakPolarHBondContact OE1-CB 3.25Å; E239-S241 PolarHBondContact OE1-OG 2.79Å
240G49.6Very low46.8Very low65 Ų65124.1 Ų124.167%0.6777%0.769SS**  cis160.5177.63.400000109.5
241S44.1Very low46.6Very low94 Ų94127.2 Ų127.266%0.65777%0.771SS**  cis174152.5-20.6-96.10000107.2E239E239-S241 WeakPolarHBondContact OE1-CB 3.25Å; E239-S241 PolarHBondContact OE1-OG 2.79Å
242V46.9Very low46.5Very low137 Ų137129.2 Ų129.283%0.8377%0.773SS**  cis-159.91743.4-95.70000111
243P55.5Low46.5Very low114 Ų114129.4 Ų129.474%0.7477%0.774SS**  trans-127-154.8-163.145.6-31.9000116.5
244L57.7Low46.1Very low167 Ų167127.5 Ų127.587%0.87477%0.773SS**  trans175.9162.6130.6-88178.2000114.8
245P50.5Low45.3Very low125 Ų125130.1 Ų130.181%0.81278%0.775SS**  trans-131-150.1-157.347.4-32.1000117.7
246A43.5Very low44.8Very low98 Ų98132.4 Ų132.481%0.8178%0.776SS**  trans-130.5-170-165.700000115.2
247D52.9Low44.5Very low130 Ų130133.1 Ų133.170%0.69578%0.775SS**  trans-159.7-179.7170-148.413.1000108.1
248F49.5Very low43.5Very low163 Ų163132.3 Ų132.372%0.71578%0.777SS**  cis-156-1627.5-167.432.2000111.3
249F43.3Very low42.9Very low165 Ų165132 Ų13272%0.72478%0.78SS**  trans-131.5-177.7-172.5-47.3-72.6000112
250S42.3Very low42.7Very low117 Ų117132.6 Ų132.682%0.81878%0.783SS**  cis-159-161.512.8-162.80000111.9
251K35Very low42.3Very low198 Ų198135.3 Ų135.386%0.86179%0.789SS**  trans-130.2158.1172.2-75.5-171.5176-1750112.9
252V39.4Very low41.9Very low136 Ų136139.8 Ų139.882%0.82480%0.799SS**  trans-142.8122.6172.6172.90000112.3
253S38.3Very low41.6Very low114 Ų114136.6 Ų136.680%0.79779%0.794SS**  trans49.7158.4149.1-55.30000124.9
254A41.8Very low41.1Very low97 Ų97137.6 Ų137.680%0.80280%0.801SS**  trans71.9148.3164.700000118
255E35.5Very low40.1Very low177 Ų177132.9 Ų132.983%0.82779%0.792SS**  cis-161.7153.7-19.3177.1166.5108.400110.5
256T33.5Very low39.6Very low112 Ų112133.9 Ų133.969%0.68780%0.796SS**  trans24.8116.7160.3-53.80000123.4
257Q32.1Very low39.2Very low181 Ų181132.2 Ų132.285%0.84679%0.789SS**  trans43.1125.2143.8-65.3-165.951.300124.5
258A31.8Very low38.5Very low89 Ų89131.8 Ų131.874%0.73679%0.793SS**  64.8110.4126.600000123.1
259S35Very low37.9Very low125 Ų125132.3 Ų132.387%0.87480%0.8SS**  -177.3164.1110.752.20000112.2
260Q39.7Very low37.5Very low181 Ų181132.4 Ų132.485%0.84680%0.803SS**  trans-92.3176.2175.6-71.3-164.4-37.600113.1
261P40.6Very low37.3Very low121 Ų121131.1 Ų131.179%0.78678%0.784SS**  -146.1-166.8100.841.5-25.4000116.5
262E34.3Very low37.6Very low189 Ų189123.1 Ų123.188%0.88376%0.757SS**  trans-61.7176.7-174-57.4166.385.100116.5
263G41.2Very low37.7Very low69 Ų69124.2 Ų124.271%0.71175%0.753SS**  cis-174.2-140.61300000115.6
264P45.3Very low37.8Very low136 Ų136127.1 Ų127.188%0.88375%0.754SS**  -141.1176.8-94.541.3-25.7000119.4
265G37.8Very low37.6Very low68 Ų68127.4 Ų127.470%0.70176%0.756SS**  trans169-172.5166.900000111.8
266T39.3Very low38Very low145 Ų145123.3 Ų123.389%0.8975%0.753SS**  cis170.8138.7-30.8-74.70000107.3
267G34Very low38.6Very low64 Ų64123.6 Ų123.666%0.6676%0.756SS**  cis116142.6-2.700000114.1
268P38.3Very low39Very low121 Ų121122.3 Ų122.379%0.78675%0.75SS**  cis-141.2175.8-8.444.3-26.2000117.5
269M37.7Very low39.4Very low173 Ų173127.3 Ų127.385%0.85276%0.756SS**  trans24.5148146.9-63.1176.765.400125.3
270E33.8Very low39.9Very low168 Ų168127.4 Ų127.479%0.78575%0.751SS**  -166.5-175.5128.8-103.8-70.283.100111.3
271E38.7Very low39.9Very low90 Ų90126.3 Ų126.342%0.42174%0.744SS.*  trans119150.3146.6-62.5-167.4166.300121.7A45 E46 E47A45-E271 WeakPolarHBondContact CA-OE1 3.43Å; E46-E271 VanDerWaalsContact CA-CD 3.42Å; E46-E271 WeakPolarHBondContact CA-OE2 3.37Å; E46-E271 PolarHBondContact N-OE1 2.78Å; E46-E271 PolarHBondContact N-OE2 3.02Å; E46-E271 VanDerWaalsContact N-OE2 3.09Å; E46-E271 VanDerWaalsContact OE2-CA 3.25Å; E46-E271 WeakPolarHBondContact OE2-CA 2.98Å; E47-E271 PolarHBondContact N-OE2 3.44Å
272G40.9Very low40.2Very low29 Ų29128 Ų12830%0.29974%0.741SS.*  trans142.8152.8140.100000123.3E46 E47E46-G272 PolarHBondContact OE2-N 3.14Å; E47-G272 CarbonylContact O-C 3.38Å; E47-G272 WeakPolarHBondContact O-CA 3.45Å
273H43Very low40.5Very low159 Ų159123.8 Ų123.874%0.73673%0.728SS**  trans-149.6174.8-173.4-124.7-96.2000116.2E47 P48E47-H273 PolarHBondContact O-N 2.9Å; P48-H273 WeakPolarHBondContact CD-O 3.39Å
274E38.6Very low40.9Very low176 Ų176129.1 Ų129.182%0.82274%0.735SS**  trans151.7144.2144.6-176.9161.5-159.900117.5
275A38.7Very low40.8Very low102 Ų102129.4 Ų129.484%0.84373%0.727SS**  trans179.5148.1140.400000113.7
276A44.8Very low41.5Very low92 Ų92135.6 Ų135.676%0.7674%0.735SS**  trans-135.5173.2-165.800000118.8
277P44.7Very low42.1Very low118 Ų118133.1 Ų133.177%0.76673%0.729SS**  trans-132.8168.4-175.743-27.7000118.7
278E39.9Very low42.6Very low154 Ų154134.8 Ų134.872%0.7273%0.73SS**  trans-142.9-170.1175.8-76-153.8125.700116.4L649E278-L649 VanDerWaalsContact OE2-CD1 3.27Å; E278-L649 WeakPolarHBondContact OE2-CD1 3.36Å
279F41.4Very low42.8Very low193 Ų193134.7 Ų134.785%0.84673%0.728SS**  trans-108.7-149.6-155.9-60.9-85.8000116.1
280T45.4Very low43Very low127 Ų127131.4 Ų131.478%0.77972%0.719SS**  cis-154.6-15214.8-33.60000112.3
281F40.6Very low43.2Very low159 Ų159131 Ų13170%0.69772%0.715SS**  trans-153.3169.5-168.965.8-86.9000115.9
282H46.1Very low43.1Very low155 Ų155133.4 Ų133.472%0.71873%0.726SS**  trans169.9158.5143.4-91.993.4000113.3
283V41.3Very low43Very low102 Ų102140.1 Ų140.162%0.61875%0.75SS**  trans-153.1152-169.7173.80000113.6F638V283-F638 HydrophobicContact CG2-CD2 4.46Å; V283-F638 HydrophobicContact CG2-CE2 4.18Å
284E48.7Very low42.7Very low181 Ų181137.8 Ų137.885%0.84674%0.743SS**  trans-134.5177.9168.8-83.8-153125.100114.9
285I42.2Very low43.1Very low141 Ų141136 Ų13672%0.72374%0.738SS**  trans-140141.4-145.9-59.2154.9000115
286K54Low43Very low199 Ų199139 Ų13987%0.86574%0.735SS**  trans-179.8140.6135.8-109164.7-176.8164.90119
287A51.9Low42.6Very low92 Ų92138.3 Ų138.376%0.7674%0.737SS**  trans45.2144.8137.900000121.3
288S44.3Very low42.1Very low99 Ų99137.2 Ų137.269%0.69274%0.738SS**  cis-155.5143.613.8-106.90000108.8
289T42.3Very low41.6Very low120 Ų120136.1 Ų136.174%0.73674%0.742SS**  46.4148.984.676.90000116.6
290P41.5Very low41.4Very low104 Ų104133 Ų13368%0.67574%0.738SS**  cis-135.7-155.6-12.630.8-6.1000112.8
291K38Very low40.9Very low160 Ų160133.8 Ų133.870%0.69674%0.742SS**  trans71.8155.5152.7-79.6170.6162-86.30116.6
292E36.7Very low40.4Very low140 Ų140129.9 Ų129.965%0.65475%0.747SS**  cis-156.7-168.1-9.9-133.2157.5169.100109.5
293Q38.3Very low40.2Very low170 Ų170129.1 Ų129.179%0.79475%0.753SS**  trans77.4137.6160.5-45.5-154.9-95.200117.7
294D37.8Very low40Very low110 Ų110129.8 Ų129.859%0.58876%0.759SS**  cis-163155.1-17.9-118.6-39.2000111.5
295L46Very low39.2Very low137 Ų137124.2 Ų124.272%0.71775%0.751SS**  trans63.4154.3150.8-63.6167.7000118.7
296E38.2Very low38.8Very low166 Ų166125 Ų12578%0.77675%0.751SS**  cis-158.7144-11.441.8-169.795.200113.4
297G35.5Very low37.5Very low78 Ų78123.3 Ų123.380%0.80475%0.747SS**  trans75.4171.315900000118.2
298A34.9Very low36.8Very low95 Ų95126.3 Ų126.379%0.78575%0.745SS**  cis-167.7122.5-23.500000109.5
299T28.8Very low36.1Very low131 Ų131128.8 Ų128.880%0.80474%0.743SS**SBendcis-155.9147.2-11.246.20000106.1
300V36.5Very low35.7Very low128 Ų128126.9 Ų126.978%0.77674%0.739SS**SBendcis-130.7143.717.3175.10000109.5
301V35.6Very low35.3Very low142 Ų142130.1 Ų130.186%0.86175%0.746SS**SBendtrans32.893.8174.8-171.10000116.7
302G31.1Very low35Very low78 Ų78128.3 Ų128.380%0.80475%0.748SS**  trans95.453.6136.800000119.3
303V41.6Very low34.7Very low138 Ų138131.4 Ų131.484%0.83676%0.762SS**  trans-128.8147.7164.1172.60000106.5
304P36.3Very low34.3Very low116 Ų116126.1 Ų126.175%0.75375%0.754SS**  cis-111.6-167.78.426.7-3.2000111.7
305G32.3Very low34.3Very low65 Ų65127 Ų12767%0.6777%0.766SS**  cis94.8151.714.300000112.8
306E34.1Very low33.6Very low156 Ų156125.5 Ų125.573%0.72977%0.767SS**  trans57.774.3172.4-62-166.383.600118.6Q308E306-Q308 VanDerWaalsContact C-N 3.31Å; E306-Q308 PolarHBondContact O-N 2.89Å; E306-Q308 VanDerWaalsContact O-N 3.14Å; E306-Q308 PolarHBondContact OE1-NE2 2.92Å
307E27Very low33.5Very low164 Ų164124.3 Ų124.377%0.76677%0.77SS**  trans-73.391.5142.4-172.9-176123.600108.3K309E307-K309 HydrophobicContact CG-CB 4.24Å; E307-K309 PolarHBondContact O-N 2.91Å; E307-K309 WeakPolarHBondContact OE1-CB 3.4Å; E307-K309 WeakPolarHBondContact OE1-CD 3.21Å
308Q35.8Very low33.4Very low156 Ų156123.6 Ų123.673%0.72976%0.763SS**  trans-71.282.6164.7-76-165.47.300109.8E306 A310E306-Q308 VanDerWaalsContact C-N 3.31Å; E306-Q308 PolarHBondContact O-N 2.89Å; E306-Q308 VanDerWaalsContact O-N 3.14Å; E306-Q308 PolarHBondContact OE1-NE2 2.92Å; Q308-A310 VanDerWaalsContact C-N 3.25Å; Q308-A310 PolarHBondContact O-N 3Å
309K29.2Very low33.5Very low151 Ų151129.2 Ų129.266%0.65777%0.77SS**  trans-75.473.7176.7-163.9-178.4-176.4166.50112.4E307E307-K309 HydrophobicContact CG-CB 4.24Å; E307-K309 PolarHBondContact O-N 2.91Å; E307-K309 WeakPolarHBondContact OE1-CB 3.4Å; E307-K309 WeakPolarHBondContact OE1-CD 3.21Å
310A34.1Very low33.8Very low79 Ų79126.1 Ų126.165%0.65376%0.764SS**  trans-147.6106.2161.200000107.2Q308 T312Q308-A310 VanDerWaalsContact C-N 3.25Å; Q308-A310 PolarHBondContact O-N 3Å; A310-T312 VanDerWaalsContact C-N 3.27Å
311Q34Very low34Very low173 Ų173126.1 Ų126.181%0.80876%0.764SS**  cis5433.327.6-146.6-175.126.600114.8
312T30.9Very low34.4Very low121 Ų121128.4 Ų128.474%0.74276%0.762SS**  trans-139107148.4-54.40000109.4A310A310-T312 VanDerWaalsContact C-N 3.27Å
313Q30.3Very low34.7Very low205 Ų205133.5 Ų133.596%0.95877%0.765SS**  trans-137.1117.4155.7-166175.382.100109
314G30.2Very low34.6Very low59 Ų59131.2 Ų131.261%0.60876%0.761SS**  trans141106.4-172.400000111.8
315P37.2Very low34.6Very low130 Ų130130.2 Ų130.284%0.84476%0.757SS**  cis-122.1-151.2-14.140.9-25.7000111.1
316S33.1Very low35Very low105 Ų105134.4 Ų134.473%0.73476%0.763SS**  trans95.6106.6162.6-152.50000119.1
317V34.9Very low35.3Very low141 Ų141134.9 Ų134.986%0.85577%0.765SS**  trans50.2109.8134.6-172.80000119.8
318G34.8Very low35.7Very low63 Ų63134.7 Ų134.765%0.64977%0.765SS**  126.3104.4111.400000119.3
319K36.8Very low36.6Very low213 Ų213132.3 Ų132.393%0.92676%0.763SS**  trans66.8138166-51.7172.3-176.81750113.8
320G34.5Very low37.4Very low66 Ų66130.3 Ų130.368%0.6877%0.765SS**  cis98138.920.600000110.2
321T40.9Very low37.4Very low128 Ų128130 Ų13079%0.78577%0.769SS**  cis-165.8168.813.9-47.10000109.7
322K43.1Very low37.5Very low189 Ų189131.8 Ų131.882%0.82277%0.774SS**  trans81.8146.2167.3-47.1175.9-175.5-179.30114.3
323E37.3Very low38Very low185 Ų185134.8 Ų134.886%0.86478%0.78SS**  cis-130.9166.11.8-76.5-166134.400109.5
324A39.6Very low38.4Very low90 Ų90131 Ų13174%0.74477%0.773SS**  cis-158.1172.6-22.200000105.4
325S36.8Very low38.7Very low96 Ų96133.1 Ų133.167%0.67179%0.785SS**  cis-167.7147.125.8-171.10000110.1
326L41.1Very low38.5Very low153 Ų153132 Ų13280%0.80179%0.787SS**  trans52.4130.8155.8-68.1166.8000119.3
327Q40.4Very low38.8Very low166 Ų166130.9 Ų130.978%0.77679%0.791SS**  cis-141.8148.40.4-80153.5-9.800107
328E35.6Very low39.4Very low160 Ų160132.1 Ų132.175%0.74879%0.793SS**  60.8141.858.5-86.5-72.390.200114.7
329P53.1Low40.3Very low106 Ų106135.4 Ų135.469%0.68880%0.802SS**  cis-133.4-147.3-1.548.8-29.5000112.1
330P46.7Very low40.7Very low109 Ų109128.4 Ų128.471%0.70879%0.791SS**  -140.7154.4-119.737.8-14000119.6
331G34.2Very low41.4Very low72 Ų72135.7 Ų135.774%0.74280%0.798SS**  77.5158.6123.300000123.3
332K36.7Very low41.7Very low210 Ų210135.1 Ų135.191%0.91380%0.796SS**  trans81.7140.8160.2-61178.9-178.9174.50120.3
333Q39.9Very low41.5Very low184 Ų184131 Ų13186%0.8679%0.787SS**  trans-45.8166.2159.6-65.1165.8-80.800113.3
334P39.4Very low41.6Very low126 Ų126126.3 Ų126.382%0.81878%0.775SS**  cis-141.1-163.327.942.9-22.8000116.1
335A35.7Very low41.8Very low103 Ų103132.6 Ų132.685%0.85178%0.779SS**  trans-74.4140.9179.600000114.1
336A33.2Very low41.8Very low108 Ų108134.4 Ų134.489%0.89379%0.786SS**  trans-163.2163.4157.300000109.2
337G39.5Very low41.9Very low80 Ų80132.7 Ų132.783%0.82578%0.784SS**  trans114.359.7162.900000118.5
338L48.7Very low41.9Very low168 Ų168133.4 Ų133.488%0.8879%0.787SS**  trans-69.1146.2148.5-73.1172.9000108.4
339P52.7Low42Very low131 Ų131133.5 Ų133.585%0.85179%0.792SS**  -136.6168.765.434.1-15.3000115.6
340G45.5Very low41.3Very low67 Ų67137.1 Ų137.169%0.69180%0.797SS**  cis-169.1174.24.900000117.2
341R49.7Very low40.6Very low218 Ų218135.7 Ų135.782%0.82379%0.794SS**  trans-62.6179.2173.7-58.8166.979.8-142.311.9111.9
342P46.3Very low40.7Very low116 Ų116144 Ų14475%0.75380%0.803SS**  cis-124.6153.6-0.61511.3000114.3
343V39.1Very low41Very low103 Ų103140.1 Ų140.162%0.62480%0.797SS**  84.294.456.1177.70000115.6
344S39.5Very low40.8Very low87 Ų87136.2 Ų136.261%0.60880%0.796SS**  trans78.6169.4135.380.70000122.8
345R43.2Very low40.9Very low221 Ų221135 Ų13583%0.83479%0.791SS**  trans94.2113.6164.1-65.9152.2-169-133.2-4114.9
346V37Very low40.8Very low135 Ų135138.5 Ų138.582%0.81879%0.787SS**  83.3128.157170.60000110.3
347P43.8Very low41Very low117 Ų117138.5 Ų138.576%0.7677%0.772SS**  trans-89162-152.135.7-38000114
348Q41Very low40.9Very low181 Ų181144.4 Ų144.485%0.84677%0.769SS**  trans-138.2137.6159.6-73.5-155.7-1.200113.4
349L37.6Very low40.1Very low162 Ų162143 Ų14385%0.84877%0.767SS**  trans-77.9135166.8-65.3159.8000110.4
350K37.5Very low39.4Very low182 Ų182140 Ų14079%0.79176%0.761SS**  trans-149.3110.6151.6-121.667167.3-171.50105.7
351A33.3Very low39.1Very low79 Ų79143.4 Ų143.465%0.65376%0.763SS**  cis72.5129.835.500000113.6
352R34.8Very low38.9Very low246 Ų246138.8 Ų138.893%0.92876%0.755SS**  trans87.3139.5-159.5-64.2-179.6166.1177.9-5.3113.4
353V43.9Very low38.6Very low128 Ų128139.6 Ų139.678%0.77675%0.749SS**  cis-118.6138.70.9179.60000110.6
354A35.2Very low38.9Very low102 Ų102142.3 Ų142.384%0.84375%0.752SS**  trans-116.7107.1160.400000109.1
355S40.9Very low39Very low102 Ų102147.6 Ų147.671%0.71376%0.764SS**  trans-153.3130.1159.7-760000105
356K35.4Very low38.8Very low176 Ų176140.9 Ų140.977%0.76576%0.756SS**  cis76138.239.3-164.8170.5179.5171.20112.7
357D36.6Very low39.1Very low108 Ų108143.9 Ų143.958%0.57876%0.758SS**  trans71.8145.1-178.5-55-55000114.6
358R36.6Very low39Very low204 Ų204144.5 Ų144.577%0.7776%0.76SS**  cis-158138.8-13.2-116.2165.1-151.7-1251.8111.8
359T32.5Very low39.1Very low137 Ų137140.3 Ų140.384%0.8475%0.75SS**  45.2127124.4-54.50000122.1
360G38.4Very low39.5Very low70 Ų70138.3 Ų138.372%0.72275%0.745SS**  trans119.714514900000115.5
361N39.6Very low40.3Very low138 Ų138135.3 Ų135.374%0.73874%0.744SS**  cis-159159.4-16.9-160.929.2000112.6
362D45.2Very low40.7Very low120 Ų120136.3 Ų136.364%0.64275%0.746SS**  trans46.8124.6154.2-79.1-29.5000124.2
363E40.4Very low40.9Very low134 Ų134130.3 Ų130.363%0.62674%0.741SS**  69.4130.1127.5-62.8-141.3109.700125.1
364K44.4Very low41Very low159 Ų159127.6 Ų127.669%0.69173%0.732SS**  trans68.799.7135.7-70.5168.2179.1144.90120.7
365K41.9Very low41.4Very low198 Ų198132.1 Ų132.186%0.86173%0.733SS**  80111111.7-169.6-177.4178.9-1750119.6
366A39.6Very low41.2Very low80 Ų80131.6 Ų131.666%0.66173%0.734SS**  trans81.9122.614600000121.4
367K43.3Very low42.2Very low199 Ų199129 Ų12987%0.86574%0.735SS**  trans40.5130.7132.3-55-179.4179.1-1750119.7
368T40.6Very low42.7Very low130 Ų130129.4 Ų129.480%0.79875%0.747SS**  176.3139109.1-760000114.8
369S44.4Very low43.1Very low93 Ų93127.8 Ų127.865%0.6575%0.748SS**  trans19.5133.8163.868.70000126.4
370T44.5Very low43.8Very low120 Ų120131 Ų13174%0.73674%0.744SS**  12.2149.9113.89.10000121.1
371P55.2Low44.3Very low119 Ų119132 Ų13277%0.77374%0.738SS**  -139.517075.940.6-24.8000114.4
372S41.1Very low44.2Very low100 Ų100129.9 Ų129.970%0.69973%0.733SS**  cis80.4144.825.3-137.10000114.5
373C38.3Very low44.2Very low120 Ų120128.5 Ų128.581%0.81173%0.725SS**  cis-161.6-171.12.9-141.60000108.3
374A46.2Very low44.1Very low71 Ų71126.2 Ų126.259%0.58772%0.724SS**  cis-169.3-176.42.400000111
375K44Very low44.3Very low197 Ų197122 Ų12286%0.85771%0.713SS**  trans79.5137.2152.6-68.2165.6-175.9179.70119.8
376A36.8Very low44.1Very low90 Ų90118 Ų11874%0.74471%0.705SS**  cis75.7164.65.200000118.1
377P56Low44.3Very low121 Ų121121.8 Ų121.879%0.78670%0.702SS**  cis-138.7177.5-5.442.7-25.6000116.8
378S48Very low44.4Very low118 Ų118117.1 Ų117.183%0.82569%0.692SS**  trans-172.6153.7157.2-84.70000110.3
379H44.7Very low44.5Very low170 Ų170113.9 Ų113.979%0.78767%0.672SS**  cis-141-140.9-17.5-166.3-112.7000110.9
380R47.9Very low44.4Very low205 Ų205116.3 Ų116.377%0.77468%0.678SS**  trans-168.8168.4-157.8-106.4-158.6154.4-140.5-4.8112.9
381P48.7Very low44.2Very low89 Ų89113.6 Ų113.658%0.57867%0.673SS**  -152.3-160.5-58.741.3-18.5000115.5
382C38.1Very low43.6Very low95 Ų95113.4 Ų113.464%0.64268%0.675SS**  trans95.4140.3150-78.10000118.9
383L43.3Very low43.8Very low90 Ų90113.4 Ų113.447%0.47168%0.675SS.*  cis-105.3-35.76.6-74.4166.4000115E62E62-L383 HydrophobicContact CB-CB 3.77Å; E62-L383 HydrophobicContact CB-CD1 4.34Å; E62-L383 VanDerWaalsContact O-CD1 3.27Å; E62-L383 WeakPolarHBondContact O-CD1 3.27Å; E62-L383 VanDerWaalsContact OE2-CA 3.31Å; E62-L383 WeakPolarHBondContact OE2-CA 3.35Å; E62-L383 WeakPolarHBondContact OE2-CB 3.35Å; E62-L383 PolarHBondContact OE2-N 2.9Å
384S39.7Very low43.9Very low87 Ų87115.1 Ų115.161%0.60868%0.676SS**  trans60.288.9174.356.60000118E62 V64E62-S384 WeakPolarHBondContact OE1-CA 3.48Å; E62-S384 PolarHBondContact OE1-N 3.09Å; E62-S384 PolarHBondContact OE2-N 2.99Å; V64-S384 WeakPolarHBondContact CG2-O 3.05Å
385P47.1Very low43.8Very low71 Ų71116.9 Ų116.946%0.46168%0.681SS.*  trans-78.5167168.933.4-34.1000112.5E62E62-P385 VanDerWaalsContact CD-CD 3.47Å; E62-P385 HydrophobicContact CG-CG 4.14Å; E62-P385 WeakPolarHBondContact OE1-CD 3.31Å
386T39.3Very low43.5Very low114 Ų114115 Ų11570%0.69968%0.68SS**  cis-157.7-169.2-20.4-173.40000108.1
387R44Very low43.7Very low158 Ų158118.5 Ų118.560%0.59668%0.684SS**  trans-163.2158.3-170.6-120.2-179.3164.6-143.37.5113.7T389R387-T389 WeakPolarHBondContact CD-OG1 3.1Å; R387-T389 VanDerWaalsContact NH1-CG2 3.34Å; R387-T389 PolarHBondContact NH1-OG1 3.37Å
388P45Very low43Very low101 Ų101122 Ų12266%0.65669%0.687SS**  -144.1176.865.737.4-18.2000117P67P67-P388 HydrophobicContact CB-CB 4.08Å; P67-P388 HydrophobicContact CB-CG 4.29Å; P67-P388 HydrophobicContact CG-CB 3.83Å
389T42.2Very low42.9Very low62 Ų62122.1 Ų122.138%0.3869%0.685SS.*  cis-175.8123.4-34-860000110.6R387R387-T389 WeakPolarHBondContact CD-OG1 3.1Å; R387-T389 VanDerWaalsContact NH1-CG2 3.34Å; R387-T389 PolarHBondContact NH1-OG1 3.37Å
390L43.4Very low42.8Very low145 Ų145119.4 Ų119.476%0.75969%0.685SS**  trans59.2154.4159.7-68.5164.7000119.8
391G38.4Very low42.6Very low63 Ų63114.6 Ų114.665%0.64968%0.683SS**  cis138.7163.5-13.700000116.1
392S43.4Very low42.7Very low115 Ų115116.4 Ų116.480%0.80470%0.695SS**  trans74.4148.8174.1-141.40000115.4
393S45.6Very low42.8Very low100 Ų100115.9 Ų115.970%0.69970%0.697SS**  cis-144.3131.57.8-38.90000108.6
394D40.9Very low42.8Very low156 Ų156118.1 Ų118.183%0.83471%0.714SS**  91.8138.887.1-158.948.7000112.3
395P42.7Very low42.6Very low107 Ų107119 Ų11970%0.69572%0.72SS**  trans-106.5-177.7-157.141.7-36.4000115.2
396L37.6Very low42.8Very low158 Ų158121 Ų12183%0.82773%0.734SS**  trans71.6108.9156.4-163.782.8000117
397I42.6Very low43.1Very low164 Ų164124.3 Ų124.384%0.84174%0.741SS**  trans175.1140.8130.9-91.8154.9000110.8
398K39.7Very low43.1Very low195 Ų195122.1 Ų122.185%0.84875%0.747SS**  trans-84.7176.8174-55.2178.8178.7178.60110
399P47.6Very low42.8Very low120 Ų120122 Ų12278%0.77976%0.755SS**  cis-139.8-178.1444.4-27.3000115.3
400S40.9Very low43Very low113 Ų113125.4 Ų125.479%0.7978%0.776SS**  -178.5143.9109.4-166.90000112.7
401S45.5Very low43.1Very low104 Ų104123.7 Ų123.773%0.72778%0.776SS**  trans-104.1-156.8169.7-28.30000108.7
402P49Very low43.7Very low127 Ų127125.7 Ų125.783%0.82578%0.777SS**  cis-94.5-166.9-7.543.4-35.3000110.8
403A40.9Very low43.6Very low84 Ų84129.3 Ų129.369%0.69478%0.779SS**  cis-146-175.87.100000108.7
404V43Very low43.3Very low136 Ų136132.6 Ų132.682%0.82478%0.783SS**  cis-133.8-157.88.4-158.60000108.2
405S36.3Very low43.3Very low105 Ų105130 Ų13073%0.73477%0.772SS**  trans-162-175.8177.6-41.80000108.6
406P51.3Low43.1Very low115 Ų115130.3 Ų130.375%0.74778%0.777SS**  cis-136.4175.7-9.340.9-24000114.9
407E44.4Very low43.3Very low183 Ų183127.9 Ų127.986%0.85577%0.773SS**  -179.9158.4122.3-88.9-106.98.100110.6
408P44.3Very low43.3Very low111 Ų111126.5 Ų126.572%0.72177%0.772SS**  trans-122172.2-153.442.1-30.4000116.9
409A39.8Very low43.5Very low100 Ų100123.2 Ų123.283%0.82677%0.768SS**  trans-116.8145.5171.300000112.8
410T45Very low43.4Very low133 Ų133122.7 Ų122.782%0.81677%0.765SS**  trans-153.6156.9170.960.80000108.6
411S46.1Very low43.5Very low109 Ų109127.8 Ų127.876%0.76277%0.767SS**  cis-161.3169.2-17.7-990000109.5
412P51.1Low43.2Very low104 Ų104130.4 Ų130.468%0.67577%0.773SS**  trans-129-175.8-150.844.9-33000117.9
413K40.6Very low42.6Very low192 Ų192128.5 Ų128.584%0.83578%0.776SS**  trans85114.8144.6-85.5171.2-174.7178.70122.6
414H39.3Very low42.7Very low169 Ų169130.2 Ų130.278%0.78278%0.783SS**  104139.7113.2-150-130.8000122.6
415V41.9Very low43.3Very low100 Ų100129.6 Ų129.661%0.60678%0.782SS**  trans63108.1156.8-73.30000125.8
416S39.5Very low43.4Very low114 Ų114127.9 Ų127.980%0.79778%0.781SS**  67137.9110.2-52.30000125.3
417S40Very low43.1Very low107 Ų107128.4 Ų128.475%0.74878%0.782SS**  116.498.2129.8-165.90000120.4
418V43Very low43Very low135 Ų135129.1 Ų129.182%0.81878%0.782SS**  trans78.5143.6139.6179.40000120.4
419T44.1Very low42.9Very low126 Ų126130.9 Ų130.977%0.77378%0.781SS**  trans-74.9176.1-179.5220000113.8
420P46.7Very low43.2Very low109 Ų109134.1 Ų134.171%0.70878%0.781SS**  cis-150.4170.930.544-22.8000121.2
421R41.9Very low43Very low221 Ų221134.7 Ų134.783%0.83477%0.772SS**  trans57.6128.4142-77.7178.4175.8169.4-0.6124.1
422N38.6Very low43.1Very low159 Ų159137.1 Ų137.185%0.8578%0.776SS**  trans72.3129.8138.4-66.225.1000122
423G38Very low42.7Very low87 Ų87139.6 Ų139.690%0.89778%0.776SS**  trans174.8112.1164.100000113.6
424S42.6Very low42.7Very low119 Ų119133.8 Ų133.883%0.83277%0.771SS**  trans-126.3-174-178-132.90000109.7
425P54.9Low42.9Very low124 Ų124130 Ų13081%0.80577%0.768SS**  cis-134.7-167.7-27.637.8-18.6000113.5
426G38.4Very low42.9Very low69 Ų69131.6 Ų131.671%0.71177%0.773SS**  trans-173.5144.4165.900000114.6
427T45.8Very low43.1Very low125 Ų125129.9 Ų129.977%0.76777%0.773SS**  trans-158.6167.7-163.652.60000118.5
428K41.8Very low43.3Very low198 Ų198134.1 Ų134.186%0.86178%0.779SS**  trans104169.5152.3-58.6170-172.11780120.2
429Q41.2Very low42.8Very low148 Ų148134 Ų13469%0.69278%0.778SS**  -176.5-178.5-64.1-148.8-148.2104.900112.2
430M46.4Very low42.6Very low168 Ų168131.8 Ų131.883%0.82878%0.781SS**  trans96.1155.9156.5-68.5175.458.200122.1
431K41.9Very low42.1Very low146 Ų146130.9 Ų130.964%0.63578%0.782SS**  cis-172.5100.2-36.5-155.270.7166-171.20117.9
432L48.2Very low41.9Very low159 Ų159129.5 Ų129.583%0.83278%0.782SS**  trans62.9-176.2148.7-51.9175.8000120.4
433K41.8Very low41.9Very low157 Ų157129.6 Ų129.668%0.68378%0.781SS**  cis-140.6166.7-6.7168.2167.7175.5173.20107.2D436K433-D436 IonicContact NZ-OD1 2.79Å; K433-D436 PolarHBondContact NZ-OD1 3.12Å; K433-D436 IonicContact NZ-OD2 3.72Å; K433-D436 PolarHBondContact NZ-OD2 3.07Å
434G41.9Very low41.8Very low70 Ų70129.1 Ų129.172%0.72277%0.769SS**  cis-172.2-13916.700000114.2
435A42.6Very low41.7Very low88 Ų88129.6 Ų129.673%0.72777%0.767SS**  cis-157.4-156.78.700000113.4
436D41.8Very low41.3Very low134 Ų134128.8 Ų128.872%0.71776%0.762SS**  trans-147.5155-151.1-2.7-112.8000113.2K433K433-D436 IonicContact NZ-OD1 2.79Å; K433-D436 PolarHBondContact NZ-OD1 3.12Å; K433-D436 IonicContact NZ-OD2 3.72Å; K433-D436 PolarHBondContact NZ-OD2 3.07Å
437G44.3Very low41.3Very low78 Ų78137.4 Ų137.480%0.80477%0.773SS**  cis167170.3-10.300000114.8
438K43.4Very low41Very low197 Ų197134.5 Ų134.586%0.85777%0.768SS**  trans104.6116151.9-140.3-177.4-178.4174.60125.3
439T33.3Very low40.9Very low131 Ų131130 Ų13080%0.80477%0.768SS**  trans43.5137.1147.761.90000126.7
440G38.8Very low40.9Very low81 Ų81127.1 Ų127.184%0.83577%0.769SS**  trans-169.2167.7159.700000112.3
441A35.9Very low40.8Very low89 Ų89124.2 Ų124.274%0.73677%0.765SS**  trans-146.5153.5-173.200000116.4
442K37.5Very low40.8Very low192 Ų192122.7 Ų122.784%0.83577%0.77SS**  trans51.2129155.169.1-164.5170.8-173.30120.5
443I39.3Very low40.3Very low162 Ų162119 Ų11983%0.83176%0.763SS**  trans162.9139.9137.5-85.8155.1000113.5
444A36.6Very low40.4Very low77 Ų77120.5 Ų120.564%0.63677%0.772SS**  trans50.1123.5156.400000125.3
445T39.9Very low39.9Very low128 Ų128126.8 Ų126.879%0.78578%0.78SS**  31.2140.6100.7-220000118
446P47.2Very low39.5Very low108 Ų108125.5 Ų125.570%0.70178%0.775SS**  cis-158.2174.74545.2-24.1000121.8
447R38.6Very low39.4Very low249 Ų249125.4 Ų125.494%0.9478%0.779SS**  trans63.3156.3151.4-87176.1157.1130.3-6.5119.1
448G38.7Very low39.2Very low64 Ų64126.6 Ų126.666%0.6678%0.775SS**  cis-140.3154.8-2.800000111.3
449A40.3Very low38.7Very low105 Ų105124.7 Ų124.787%0.86878%0.775SS**  74132.184.800000113.3
450A40.1Very low39Very low86 Ų86123 Ų12371%0.71177%0.773SS**  cis-149.61396.800000109.2
451S44.1Very low39Very low108 Ų108125.4 Ų125.476%0.75577%0.772SS**  69.314977.497.80000115.5
452P43.4Very low39.4Very low113 Ų113132.5 Ų132.573%0.73478%0.78SS**  cis-141.8-168.2-26.939.3-19.8000114.2
453A36.2Very low39.7Very low82 Ų82131.1 Ų131.168%0.67878%0.78SS**  trans74.1155.9154.500000118.4
454Q45.3Very low40Very low188 Ų188129 Ų12988%0.87978%0.777SS**  cis-148.3170.5-4.8-140.5163.2-80.700113.5
455K31Very low40Very low203 Ų203129.3 Ų129.388%0.88378%0.779SS**  trans-82.3160.1179.3-54.7171.6179.7175.90113.6
456G34.1Very low39.8Very low61 Ų61132.5 Ų132.563%0.62978%0.782SS**  trans133.4113150.100000113.2
457T40.1Very low39.6Very low132 Ų132132.6 Ų132.681%0.8178%0.781SS**  cis85.4143.149.264.80000115.6
458S39.2Very low39.9Very low103 Ų103126.8 Ų126.872%0.7277%0.773SS**  trans65.6161.5167.538.80000118.5
459N32.9Very low40.1Very low157 Ų157129.5 Ų129.584%0.8478%0.779SS**  cis172.3119.6-37.6-97.3-14.3000108
460A40.6Very low40Very low94 Ų94129.6 Ų129.678%0.77777%0.774SS**  trans-176.413215600000108.5
461T37.9Very low40.1Very low132 Ų132130.8 Ų130.881%0.8177%0.774SS**  cis80.8101.525.3-480000115.2
462R44.5Very low39.8Very low239 Ų239134.8 Ų134.890%0.90278%0.778SS**  trans-163.3135.5143.1-111.7167.3-167-85.8-1.4112.8
463I44Very low39.6Very low162 Ų162135.5 Ų135.583%0.83178%0.781SS**  trans-124.9135.6169.1-53.4170.9000106.8
464P45.3Very low39.9Very low119 Ų119137.1 Ų137.177%0.77378%0.784SS**  trans-140144.4130.935.4-22.3000111.8
465A36.3Very low40Very low82 Ų82134.3 Ų134.368%0.67878%0.782SS**  cis101.9126.620.700000115.3
466K36.8Very low40.4Very low195 Ų195128.3 Ų128.385%0.84878%0.778SS**  trans77.6160.8169.7-53.9-178.2178178.70115.6
467T42.6Very low40.6Very low111 Ų111131.5 Ų131.568%0.68179%0.79SS**  cis-159.3135.321.9-21.60000114.1
468T43.9Very low40.6Very low126 Ų126128.6 Ų128.677%0.77379%0.787SS**  trans49.8167.4140.853.10000123.8
469P43.2Very low40.9Very low121 Ų121132.3 Ų132.379%0.78679%0.793SS**  cis-131.9-176.4-23.330-7.9000114.9
470S39.2Very low41.6Very low108 Ų108129.7 Ų129.776%0.75578%0.784SS**  trans-83.9165.8173.261.80000112.6
471P41.8Very low41.9Very low111 Ų111130 Ų13072%0.72178%0.779SS**  -156.6159.556.341.9-19.2000122
472K38.2Very low42Very low191 Ų191133 Ų13383%0.8378%0.78SS**  trans53.2111.3142.8-65177.4179.6179.20124.3
473T38.3Very low42Very low129 Ų129127.3 Ų127.379%0.79178%0.777SS**  29.3143.8115.6-12.20000120
474P43.4Very low41.8Very low116 Ų116122.5 Ų122.575%0.75377%0.768SS**  cis-150.7-151.747.638.5-11.7000116.5
475P46.3Very low41.7Very low128 Ų128122.3 Ų122.383%0.83176%0.757SS**  -132.4-179.8-75.941.9-25.9000116
476G39.7Very low42.1Very low77 Ų77124.4 Ų124.479%0.79475%0.747SS**  trans145.5102.6146.600000121.1
477S38.2Very low42.5Very low128 Ų128119.3 Ų119.390%0.89574%0.735SS**  trans28.3148.2151.6-143.30000124.6
478G40.4Very low42.4Very low71 Ų71116.9 Ų116.973%0.73273%0.733SS**  trans-172.5-19.6175.300000122
479E44.7Very low42.8Very low182 Ų182120.8 Ų120.885%0.8574%0.735SS**  trans65.8165.6167.7-70-114.18000120
480P48.9Very low43Very low101 Ų101119.6 Ų119.666%0.65673%0.729SS**  trans-129.2-145.4-149.448.3-33000113.6
481P46.7Very low43.7Very low102 Ų102119.9 Ų119.966%0.66273%0.731SS**  cis-138.7170.1-14.239.9-20.3000118.9
482K40.4Very low44.4Very low195 Ų195120.8 Ų120.885%0.84874%0.737SS**  trans9.7156.8131.2-47.5167.4-172.4167.70119.4
483S43.3Very low44.4Very low118 Ų118115.3 Ų115.383%0.82574%0.735SS**  cis177.6175.5-8.9530000107.5
484G41.4Very low44.9Very low62 Ų62114.9 Ų114.964%0.63974%0.737SS**  cis173.3-167.99.500000111.5
485E41.5Very low45.5Very low115 Ų115115.7 Ų115.754%0.53774%0.742SS.*  trans-122.6-177.9-164.6-27.191.7101.900113.4L558 K559E485-L558 WeakPolarHBondContact O-CD2 3.33Å; E485-K559 IonicContact OE1-NZ 2.7Å; E485-K559 PolarHBondContact OE1-NZ 3.38Å; E485-K559 IonicContact OE2-NZ 2.74Å; E485-K559 PolarHBondContact OE2-NZ 2.7Å
486R45.2Very low45.1Very low126 Ų126113.1 Ų113.148%0.47574%0.739SS.*  cis-158.1174.12.3-151.5176.74947.7-0.6110.4N557 L558R486-N557 PolarHBondContact NH2-O 2.96Å; R486-L558 HydrophobicContact CB-CD1 3.86Å; R486-L558 HydrophobicContact CB-CD2 4.23Å; R486-L558 HydrophobicContact CB-CG 3.69Å; R486-L558 PolarHBondContact NE-O 3.42Å
487S44.7Very low45.4Very low87 Ų87116.2 Ų116.261%0.60874%0.742SS**  trans-63157.5176.951.70000117.9
488G41.9Very low45.8Very low60 Ų60116.4 Ų116.462%0.61974%0.741SS**  trans164.6110.216600000116.7
489Y51.1Low46Very low209 Ų209116.9 Ų116.982%0.8275%0.745SS**  trans-81.6176.2174.463.4-96.7000111.9
490S47.4Very low45.9Very low96 Ų96113.7 Ų113.767%0.67174%0.744SS**  cis-169.8161.6-28.6-95.20000111.1
491S53.6Low45.8Very low113 Ų113120.9 Ų120.979%0.7976%0.758SS**  trans67.3166.2145.4-71.30000121.4
492P56.7Low45.7Very low130 Ų130120.7 Ų120.784%0.84476%0.758SS**  cis-135.9178.3-36.936.3-19.9000114
493G37.9Very low46Very low76 Ų76123.3 Ų123.378%0.78476%0.763SS**  trans142.999.8158.500000117.5
494S50.4Low46.2Very low120 Ų120123.8 Ų123.884%0.83976%0.761SS**  trans-122.9-162.8172.2-59.10000108.4
495P55.1Low46.5Very low134 Ų134126.7 Ų126.787%0.8777%0.769SS**  cis-138.2-169.4-5.642.6-23.3000115
496G38.3Very low46.5Very low73 Ų73126.2 Ų126.275%0.75378%0.778SS**  trans166.9101.216400000118
497T46.1Very low46.9Very low142 Ų142127.8 Ų127.887%0.87180%0.795SS**  trans-134.5171.3163.660.70000107.1
498P46.6Very low47Very low132 Ų132129.2 Ų129.286%0.85780%0.802SS**  cis-145.8-165.632.743.5-21.2000116.2
499G43.3Very low47.6Very low81 Ų81132.5 Ų132.584%0.83581%0.81SS**  trans-179.8100.4168.700000114.6
500S44.4Very low47.9Very low116 Ų116128.1 Ų128.181%0.81181%0.808SS**  trans-109.1141.6-178.8178.60000112.8
501R46.5Very low48.3Very low252 Ų252128.5 Ų128.595%0.95181%0.808SS**  trans-160.5128.3156.4-109.9158.2-164.8-168.83.4112.2
502S44.6Very low47.8Very low97 Ų97129.1 Ų129.168%0.67881%0.807SS**  trans-94.9152.4-175.3172.70000113.3
503R46.4Very low47.4Very low251 Ų251134.3 Ų134.395%0.94781%0.81SS**  trans-161.6144136.8-99.3149-152.2-110.92.6111.4
504T46.5Very low47.8Very low127 Ų127139 Ų13978%0.77981%0.811SS**  trans-92.8175.8-173.343.90000111.8
505P47.8Very low48.2Very low124 Ų124139.1 Ų139.181%0.80581%0.809SS**  cis-121.6-150.819.532.3-6.7000112.8
506S42.6Very low47.8Very low104 Ų104141.3 Ų141.373%0.72781%0.805SS**  cis-163.3-174.221.259.90000114.4
507L52.2Low48.6Very low159 Ų159146.9 Ų146.983%0.83281%0.809SS**  trans-136.9178.8-176-114.169.3000109.1
508P48.5Very low49Very low118 Ų118146.8 Ų146.877%0.76681%0.807SS**  cis-134.2-179.34.431.8-8.3000117.4
509T53Low49.2Very low128 Ų128144.1 Ų144.179%0.78580%0.797SS**  trans-105.6-170179.322.60000112.7
510P57.5Low49.7Very low118 Ų118146.7 Ų146.777%0.76680%0.796SS**  cis-111.3-96.1-10.229.2-7.3000113.6
511P56.4Low49.9Very low103 Ų103145.9 Ų145.967%0.66979%0.786SS**  cis-132.5126.1-12.134.4-11.7000118.1
512T42.1Very low50.3Low127 Ų127143.6 Ų143.678%0.77978%0.777SS**  trans60.6139.6147.733.10000126.1
513R49.7Very low50.9Low239 Ų239145.3 Ų145.390%0.90278%0.784SS**  trans90.1117.1145-77.4172.2178.3-170-1.9121
514E46.4Very low51Low173 Ų173138.8 Ų138.881%0.80877%0.774SS**  trans-86.6167.6167.2-54.6171.1-150.300111.7
515P57.2Low51.3Low124 Ų124138.7 Ų138.781%0.80578%0.775SS**  -150.4154.798.138.5-21.7000118.2
516K47.3Very low51.1Low179 Ų179142.4 Ų142.478%0.77878%0.779SS**  trans-19.4135.9156.3-54.1162.9-176.7173.70117.3
517K55.4Low51.2Low191 Ų191142.9 Ų142.983%0.8378%0.782SS**  172.3139.5115.8-91.8153.7-170.1-72.50114.4
518V53.9Low51.1Low139 Ų139141.1 Ų141.184%0.84278%0.78SS**  trans36.4139.7131-174.70000119.5
519A52Low50.9Low76 Ų76141.2 Ų141.263%0.62878%0.784SS**  cis178.6-178.8-22.900000106.6
520V53.5Low50.3Low135 Ų135139.7 Ų139.782%0.81878%0.784SS**  trans68.6139.1154.9159.70000116.9
521V48.8Very low49.8Very low99 Ų99138.7 Ų138.760%0.678%0.78SS**  cis-168.6170.4-2174.20000109.2
522R55Low49.4Very low204 Ų204143.5 Ų143.577%0.7779%0.79SS**  trans69.799.5160.6-75.8170.5-177.7994.1120
523T57.3Low49.6Very low133 Ų133143 Ų14382%0.81679%0.792SS**  trans76.4150.1132.251.50000121
524P48.2Very low49.4Very low115 Ų115142.4 Ų142.475%0.74779%0.79SS**  trans-121.5140.1-156.237.9-22.2000116.1
525P53.2Low49.3Very low124 Ų124141.7 Ų141.781%0.80579%0.791SS**PPolyproline II helixtrans-85.4163.115534.8-30.8000111.5
526K43.6Very low48.9Very low202 Ų202145.2 Ų145.288%0.87880%0.796SS**PPolyproline II helixtrans-84.4167-177.2-65.7164-176.31710111.6
527S42.9Very low48.4Very low114 Ų114143.4 Ų143.480%0.79780%0.801SS**PPolyproline II helixtrans-47.6160.3174.348.90000114.5
528P51.8Low48.2Very low123 Ų123138.6 Ų138.680%0.79980%0.796SS**  cis-135.7177.417.543.1-27.5000115.8
529S42.6Very low48Very low120 Ų120137.6 Ų137.684%0.83979%0.793SS**  176.3156.6129.9-169.80000110.3
530A41.9Very low48.2Very low95 Ų95140.5 Ų140.579%0.78580%0.803SS**  trans-110.7120.9178.800000111.9
531S45.9Very low48.8Very low98 Ų98139.4 Ų139.469%0.68580%0.798SS**  trans-166.5129.615760.80000114.7
532K48.6Very low49.5Very low204 Ų204142 Ų14289%0.88781%0.805SS**  trans58.198.4141.2-56.2164.4-173.4172.70119.6
533S46.7Very low50.4Low117 Ų117137.6 Ų137.682%0.81880%0.803SS**  trans-164.8107132.5-145.20000108.7
534R45.5Very low50.8Low225 Ų225135.4 Ų135.485%0.84979%0.787SS**  70.184.883.1-166.6-180-178.71612114.2
535L44Very low52.1Low159 Ų159135.6 Ų135.683%0.83278%0.781SS**  trans30.4103.9137-60.5170.9000117.9
536Q47.5Very low53Low197 Ų197137.3 Ų137.392%0.92178%0.776SS**  trans-137.9143.7145.5-70.8-165-13.900109.7
537T37.2Very low54.4Low142 Ų142134.2 Ų134.287%0.87177%0.769SS**  trans-126.2114.1-171.3-56.80000109.6
538A50.7Low56Low89 Ų89134.1 Ų134.174%0.73676%0.763SS**  trans-156.4162.8169.700000107.5
539P50.2Low57.1Low119 Ų119137.9 Ų137.977%0.77376%0.761SS**PPolyproline II helixtrans-60.7143.6-140.128.2-36.6000113.6P541P539-P541 WeakPolarHBondContact O-CD 3.23Å
540V56.3Low58.7Low137 Ų137135.8 Ų135.883%0.8375%0.747SS**PPolyproline II helixtrans-56.5123.3165.6-176.20000107.2M542V540-M542 PolarHBondContact O-N 2.96Å
541P65.9Low60.5Low111 Ų111141.7 Ų141.772%0.72176%0.755SS**PPolyproline II helixtrans-56.2136.2177.9-25.134.5000110P539P539-P541 WeakPolarHBondContact O-CD 3.23Å
542M64.3Low61.7Low153 Ų153142.9 Ų142.975%0.75475%0.752SS**PPolyproline II helixtrans-55.2140.8172.4-66.3-149.5-52.600109.4V540 D544V540-M542 PolarHBondContact O-N 2.96Å; M542-D544 PolarHBondContact O-N 3.27Å
543P73.1Confident62.8Low112 Ų112135.4 Ų135.473%0.72773%0.733SS**PPolyproline II helixtrans-55.8128.3178.424.2-33.9000109.4L545P543-L545 PolarHBondContact O-N 3.42Å
544D67.4Low63.7Low88 Ų88132.8 Ų132.847%0.47172%0.715SS.*  trans-71.7101.6-156.6-159-30.3000112.2M542 K546 N547M542-D544 PolarHBondContact O-N 3.27Å; D544-K546 PolarHBondContact O-N 2.99Å; D544-K546 WeakPolarHBondContact OD1-CD 3.38Å; D544-K546 WeakPolarHBondContact OD1-CG 3.36Å; D544-K546 PolarHBondContact OD1-N 2.89Å; D544-K546 IonicContact OD1-NZ 2.63Å; D544-K546 WeakPolarHBondContact OD2-CE 3.38Å; D544-K546 IonicContact OD2-NZ 2.68Å; D544-K546 PolarHBondContact OD2-NZ 3.06Å; D544-N547 PolarHBondContact O-N 3.27Å
545L74.3Confident64.8Low119 Ų119125.7 Ų125.762%0.62370%0.697SS**G310 helixtrans-60.9-16.8-172.8-62.1179.4000113.1P543 N547 V548P543-L545 PolarHBondContact O-N 3.42Å; L545-N547 PolarHBondContact O-N 2.97Å; L545-V548 HydrophobicContact CD2-CG2 4.29Å; L545-V548 PolarHBondContact O-N 3.24Å
546K72.8Confident66.5Low160 Ų160126 Ų12670%0.69669%0.693SS**G310 helixtrans-60.1-17.2175.882.1-165.7176.2-150.50114.3D544D544-K546 PolarHBondContact O-N 2.99Å; D544-K546 WeakPolarHBondContact OD1-CD 3.38Å; D544-K546 WeakPolarHBondContact OD1-CG 3.36Å; D544-K546 PolarHBondContact OD1-N 2.89Å; D544-K546 IonicContact OD1-NZ 2.63Å; D544-K546 WeakPolarHBondContact OD2-CE 3.38Å; D544-K546 IonicContact OD2-NZ 2.68Å; D544-K546 PolarHBondContact OD2-NZ 3.06Å
547N73.2Confident67.5Low136 Ų136122.2 Ų122.273%0.72768%0.68SS**G310 helixtrans-1010.2177.3-75.611.8000113.9D544 L545D544-N547 PolarHBondContact O-N 3.27Å; L545-N547 PolarHBondContact O-N 2.97Å
548V76.5Confident69Low113 Ų113117 Ų11769%0.68565%0.646SS**  trans-89.5113.2-179.7-178.10000109.8L545L545-V548 HydrophobicContact CD2-CG2 4.29Å; L545-V548 PolarHBondContact O-N 3.24Å
549R74.6Confident70.3Confident201 Ų201119.4 Ų119.476%0.75864%0.64SS**  trans-124.8144.6176.7-171.8178178.1-1780.1110.5
550S76.1Confident71.5Confident76 Ų76120.1 Ų120.153%0.53163%0.633SS.*  trans-59.3142.6172.654.10000111.7
551K78.9Confident72.5Confident220 Ų220121.6 Ų121.696%0.95763%0.631SS**SBendtrans-83.6-1.8164.3-67.6-175.4178.5179.40112.7
552I72Confident72.7Confident123 Ų123120.6 Ų120.663%0.63162%0.624SS**SBendtrans-87.4126.8-177.1-39.5173000108.6S554I552-S554 PolarHBondContact O-N 2.74Å
553G72.5Confident72.9Confident47 Ų47117.1 Ų117.149%0.48563%0.627SS.*  trans-74.521.3-172.500000116.6T555 E556G553-T555 PolarHBondContact O-N 2.8Å; G553-E556 VanDerWaalsContact O-CB 3.3Å; G553-E556 WeakPolarHBondContact O-CB 3.02Å; G553-E556 PolarHBondContact O-N 2.98Å
554S63.7Low72.4Confident62 Ų62115.1 Ų115.143%0.43463%0.627SS.*THydrogen-bonded Turntrans-56.2-19.4-172.2-46.30000114.7I552I552-S554 PolarHBondContact O-N 2.74Å
555T70Confident72.2Confident76 Ų76114.9 Ų114.947%0.46665%0.645SS.*THydrogen-bonded Turntrans-90.43.1176.159.10000114.8G553 L558G553-T555 PolarHBondContact O-N 2.8Å; T555-L558 HydrophobicContact CG2-CD1 4.26Å; T555-L558 WeakPolarHBondContact O-CB 3.42Å; T555-L558 PolarHBondContact O-N 3.41Å
556E78.4Confident71.7Confident164 Ų164119 Ų11977%0.76666%0.658SS**G310 helixtrans-67.9-46.7-173.1-170.8168.7154.900112.4G553 L558G553-E556 VanDerWaalsContact O-CB 3.3Å; G553-E556 WeakPolarHBondContact O-CB 3.02Å; G553-E556 PolarHBondContact O-N 2.98Å; E556-L558 PolarHBondContact O-N 2.82Å
557N68.9Low71.4Confident119 Ų119117.6 Ų117.664%0.63666%0.663SS**G310 helixtrans-78.228176.8-70.7-56.8000113.5R486 K559R486-N557 PolarHBondContact NH2-O 2.96Å; N557-K559 VanDerWaalsContact C-N 3.27Å; N557-K559 PolarHBondContact O-N 3.19Å
558L70.2Confident71.2Confident32 Ų32119.5 Ų119.517%0.16867%0.667CS.*G310 helixtrans-63.6-34.4178.6-126.978.9000112.7E485 R486 T555 E556E485-L558 WeakPolarHBondContact O-CD2 3.33Å; R486-L558 HydrophobicContact CB-CD1 3.86Å; R486-L558 HydrophobicContact CB-CD2 4.23Å; R486-L558 HydrophobicContact CB-CG 3.69Å; R486-L558 PolarHBondContact NE-O 3.42Å; T555-L558 HydrophobicContact CG2-CD1 4.26Å; T555-L558 WeakPolarHBondContact O-CB 3.42Å; T555-L558 PolarHBondContact O-N 3.41Å; E556-L558 PolarHBondContact O-N 2.82Å
559K78.2Confident70.8Confident139 Ų139121.5 Ų121.560%0.60467%0.673SS**G310 helixtrans-110.422.6-167.7-54.4-61.3176.1171.60113.6E485 N557 Q561E485-K559 IonicContact OE1-NZ 2.7Å; E485-K559 PolarHBondContact OE1-NZ 3.38Å; E485-K559 IonicContact OE2-NZ 2.74Å; E485-K559 PolarHBondContact OE2-NZ 2.7Å; N557-K559 VanDerWaalsContact C-N 3.27Å; N557-K559 PolarHBondContact O-N 3.19Å; K559-Q561 PolarHBondContact O-N 2.81Å
560H75.1Confident70.7Confident135 Ų135118.1 Ų118.163%0.62567%0.668SS**  trans-72.694.3171.7-174.390.6000110P562H560-P562 WeakPolarHBondContact O-CD 3.34Å
561Q75.6Confident70.2Confident168 Ų168121.5 Ų121.579%0.78568%0.68SS**  trans-73.5118164.4-168.970.740.900108.1K559 G563K559-Q561 PolarHBondContact O-N 2.81Å; Q561-G563 PolarHBondContact O-N 2.7Å
562P70.7Confident69.8Low90 Ų90119.3 Ų119.358%0.58467%0.671SS**  trans-63.5122.1-177.724.5-33.4000110.8H560 G564H560-P562 WeakPolarHBondContact O-CD 3.34Å; P562-G564 PolarHBondContact O-N 2.74Å
563G69.8Low69.4Low79 Ų79122.8 Ų122.881%0.81468%0.681SS**  trans-74.733.3-171.400000116.4Q561Q561-G563 PolarHBondContact O-N 2.7Å
564G62.2Low69.1Low70 Ų70126.9 Ų126.972%0.72269%0.692SS**  trans-81150.517700000113P562P562-G564 PolarHBondContact O-N 2.74Å
565G63Low69.1Low83 Ų83130.2 Ų130.286%0.85671%0.705SS**SBendtrans107.99.8171.500000117.2
566K64.5Low68.8Low206 Ų206132 Ų13290%0.89671%0.71SS**  trans-118.313177.4-60.7-176.2-176.1177.60114.6
567V64.7Low68.2Low130 Ų130128.1 Ų128.179%0.78870%0.702SS**SBendtrans-116.5119.9177.2-177.90000108.3I569V567-I569 PolarHBondContact O-N 3.42Å
568Q69.1Low67.9Low176 Ų176129.6 Ų129.682%0.82271%0.71SS**  trans-76.5107.9180-170.717010.400109.6I570Q568-I570 PolarHBondContact O-N 2.79Å
569I69.1Low67.7Low155 Ų155133 Ų13380%0.79573%0.731SS**  trans-70.495.5177.1-57.4176.3000108.2V567 N571V567-I569 PolarHBondContact O-N 3.42Å; I569-N571 VanDerWaalsContact C-N 3.35Å; I569-N571 PolarHBondContact O-N 3.19Å
570I71.3Confident67.1Low131 Ų131134.6 Ų134.667%0.67274%0.741SS**  trans-71.893.3174.8-59.2178000107.8Q568 K572Q568-I570 PolarHBondContact O-N 2.79Å; I570-K572 HydrophobicContact CG2-CD 4.46Å; I570-K572 HydrophobicContact CG2-CG 4.01Å; I570-K572 PolarHBondContact O-N 2.95Å
571N66.7Low66.8Low146 Ų146133.3 Ų133.378%0.78175%0.747SS**  trans-74.264.6178.2-164.56.3000111.4I569 K573I569-N571 VanDerWaalsContact C-N 3.35Å; I569-N571 PolarHBondContact O-N 3.19Å; N571-K573 VanDerWaalsContact C-N 3.25Å; N571-K573 PolarHBondContact O-N 2.65Å
572K71.2Confident66.2Low175 Ų175134.9 Ų134.976%0.76175%0.752SS**  trans-70.485.8167.9-94.8-176.2175.4-176.30108.4I570 L574I570-K572 HydrophobicContact CG2-CD 4.46Å; I570-K572 HydrophobicContact CG2-CG 4.01Å; I570-K572 PolarHBondContact O-N 2.95Å; K572-L574 PolarHBondContact O-N 2.87Å
573K63.5Low65.7Low195 Ų195134.9 Ų134.985%0.84875%0.753SS**  trans-49.1109.9166-175.1-179.2-177.7-177.10108.2N571 D575N571-K573 VanDerWaalsContact C-N 3.25Å; N571-K573 PolarHBondContact O-N 2.65Å; K573-D575 PolarHBondContact O-N 3.14Å
574L66.1Low65.1Low134 Ų134133.3 Ų133.370%0.70274%0.736SS**  trans-63.4134.7177.8-69.5175.1000108.9K572 L576K572-L574 PolarHBondContact O-N 2.87Å; L574-L576 VanDerWaalsContact C-N 3.31Å; L574-L576 HydrophobicContact CB-CD2 4.09Å; L574-L576 HydrophobicContact CB-CG 4.32Å; L574-L576 PolarHBondContact O-N 3.41Å
575D63.8Low65.1Low132 Ų132134.3 Ų134.371%0.70673%0.732SS**  trans-78.485.4175.9-166.8-19.5000109.3K573 S577K573-D575 PolarHBondContact O-N 3.14Å; D575-S577 PolarHBondContact O-N 3.26Å; D575-S577 WeakPolarHBondContact OD1-CB 3.18Å; D575-S577 PolarHBondContact OD1-N 3.25Å; D575-S577 PolarHBondContact OD1-OG 3.32Å
576L63.4Low64.9Low112 Ų112137.8 Ų137.859%0.58672%0.724SS**G310 helixtrans-76.912.6-178.7-60.6178.3000113.3L574 N578 V579L574-L576 VanDerWaalsContact C-N 3.31Å; L574-L576 HydrophobicContact CB-CD2 4.09Å; L574-L576 HydrophobicContact CB-CG 4.32Å; L574-L576 PolarHBondContact O-N 3.41Å; L576-N578 PolarHBondContact O-N 3.34Å; L576-V579 HydrophobicContact CB-CB 4.41Å; L576-V579 HydrophobicContact CB-CG2 4.48Å; L576-V579 HydrophobicContact CD2-CB 4.39Å; L576-V579 HydrophobicContact CD2-CG2 3.94Å; L576-V579 PolarHBondContact O-N 3.2Å
577S65.8Low64.7Low84 Ų84134.6 Ų134.659%0.58772%0.716SS**G310 helixtrans-52.3-22.5179.848.90000115D575D575-S577 PolarHBondContact O-N 3.26Å; D575-S577 WeakPolarHBondContact OD1-CB 3.18Å; D575-S577 PolarHBondContact OD1-N 3.25Å; D575-S577 PolarHBondContact OD1-OG 3.32Å
578N61.5Low64.2Low150 Ų150134.1 Ų134.180%0.80271%0.709SS**G310 helixtrans-110.111.4-179.4-64.2-83.7000113.8L576L576-N578 PolarHBondContact O-N 3.34Å
579V66.7Low63.8Low103 Ų103131.6 Ų131.662%0.62470%0.7SS**  trans-108.590.1-176.3-174.50000110.9L576L576-V579 HydrophobicContact CB-CB 4.41Å; L576-V579 HydrophobicContact CB-CG2 4.48Å; L576-V579 HydrophobicContact CD2-CB 4.39Å; L576-V579 HydrophobicContact CD2-CG2 3.94Å; L576-V579 PolarHBondContact O-N 3.2Å
580Q65.6Low63.6Low173 Ų173133.7 Ų133.781%0.80870%0.704SS**  trans-74.2134169-76.4-174.5-40.400111.5K582Q580-K582 PolarHBondContact O-N 2.89Å
581S68.4Low63Low108 Ų108133 Ų13376%0.75570%0.697SS**  trans-64.6122.4170.950.70000111.3C583S581-C583 VanDerWaalsContact C-N 3.26Å; S581-C583 PolarHBondContact O-N 3.02Å
582K63.3Low62.8Low201 Ų201132 Ų13287%0.87470%0.697SS**  trans-81.42.1175.3-72.8-71.4-176.3-178.70114.4Q580Q580-K582 PolarHBondContact O-N 2.89Å
583C60.5Low62.4Low90 Ų90128.8 Ų128.861%0.60869%0.693SS**  trans-89.5102.2175.8-166.80000109.7S581 S585S581-C583 VanDerWaalsContact C-N 3.26Å; S581-C583 PolarHBondContact O-N 3.02Å; C583-S585 PolarHBondContact O-N 2.99Å
584G57.6Low62Low45 Ų45122.8 Ų122.846%0.46469%0.687SS.*  trans-7430.6177.500000114.4K586 D587G584-K586 PolarHBondContact O-N 3.37Å; G584-D587 WeakPolarHBondContact CA-OD2 3.4Å; G584-D587 PolarHBondContact O-N 3.21Å
585S61Low61.2Low91 Ų91120.3 Ų120.364%0.63669%0.693SS**THydrogen-bonded Turntrans-71.69.9-172.4570000114.9C583C583-S585 PolarHBondContact O-N 2.99Å
586K59.4Low60.7Low157 Ų157117.1 Ų117.168%0.68369%0.692SS**THydrogen-bonded Turntrans-125.6-1.6176-65.5-153.6169.3-169.70114.2G584 N588 I589G584-K586 PolarHBondContact O-N 3.37Å; K586-N588 VanDerWaalsContact C-N 3.28Å; K586-N588 PolarHBondContact O-N 3.05Å; K586-I589 HydrophobicContact CB-CD1 3.7Å; K586-I589 HydrophobicContact CB-CG1 4.48Å; K586-I589 HydrophobicContact CD-CD1 4.01Å; K586-I589 HydrophobicContact CG-CD1 3.74Å; K586-I589 WeakPolarHBondContact O-CB 3.45Å; K586-I589 WeakPolarHBondContact O-CG1 3.31Å; K586-I589 PolarHBondContact O-N 2.98Å
587D60.1Low59.7Low138 Ų138118.2 Ų118.274%0.73871%0.709SS**THydrogen-bonded Turntrans-76.6-18.2-167.4-57.8-18.6000112.6G584G584-D587 WeakPolarHBondContact CA-OD2 3.4Å; G584-D587 PolarHBondContact O-N 3.21Å
588N54.4Low59.4Low120 Ų120120.2 Ų120.264%0.64272%0.718SS**THydrogen-bonded Turntrans-102.311.5177.1-133.620.4000114.3K586 K590 H591K586-N588 VanDerWaalsContact C-N 3.28Å; K586-N588 PolarHBondContact O-N 3.05Å; N588-K590 PolarHBondContact O-N 3.11Å; N588-H591 WeakPolarHBondContact O-CB 3.22Å; N588-H591 PolarHBondContact O-N 3.02Å; N588-H591 VanDerWaalsContact O-N 3.11Å
589I60.7Low59.4Low124 Ų124121.7 Ų121.764%0.63672%0.72SS**THydrogen-bonded Turntrans-66.8-6.2179.1-68.8178.3000112.9K586K586-I589 HydrophobicContact CB-CD1 3.7Å; K586-I589 HydrophobicContact CB-CG1 4.48Å; K586-I589 HydrophobicContact CD-CD1 4.01Å; K586-I589 HydrophobicContact CG-CD1 3.74Å; K586-I589 WeakPolarHBondContact O-CB 3.45Å; K586-I589 WeakPolarHBondContact O-CG1 3.31Å; K586-I589 PolarHBondContact O-N 2.98Å
590K65.5Low59.3Low199 Ų199124.2 Ų124.287%0.86573%0.728SS**THydrogen-bonded Turntrans-111.215.4175.7-60.4-174.6179.7-177.30113.7N588 V592N588-K590 PolarHBondContact O-N 3.11Å; K590-V592 PolarHBondContact O-N 3.22Å
591H58.5Low59.6Low115 Ų115120.8 Ų120.853%0.53272%0.719SS.*  trans-75.691-178.9-173-76.6000111.8N588 P593N588-H591 WeakPolarHBondContact O-CB 3.22Å; N588-H591 PolarHBondContact O-N 3.02Å; N588-H591 VanDerWaalsContact O-N 3.11Å; H591-P593 WeakPolarHBondContact O-CD 3.11Å
592V61.6Low59.4Low127 Ų127125 Ų12577%0.7772%0.719SS**  trans-80.7116.5163.2-178.20000107.7K590 G594K590-V592 PolarHBondContact O-N 3.22Å; V592-G594 VanDerWaalsContact C-N 3.27Å; V592-G594 PolarHBondContact O-N 2.95Å
593P63.2Low60Low106 Ų106123.5 Ų123.569%0.68871%0.713SS**  trans-76.177.4179.132.4-34.8000110.6H591 G595H591-P593 WeakPolarHBondContact O-CD 3.11Å; P593-G595 PolarHBondContact O-N 3.31Å
594G54.6Low60.7Low70 Ų70123.4 Ų123.472%0.72271%0.711SS**  trans-70107.7170.700000110.6V592V592-G594 VanDerWaalsContact C-N 3.27Å; V592-G594 PolarHBondContact O-N 2.95Å
595G49.3Very low61.4Low81 Ų81127 Ų12784%0.83572%0.724SS**  trans-61.5147.8167.100000111.1P593P593-G595 PolarHBondContact O-N 3.31Å
596G54.2Low61.7Low66 Ų66129.5 Ų129.568%0.6873%0.73SS**  trans173.7112.5-17800000112.1V598G596-V598 PolarHBondContact O-N 3.31Å
597S42.9Very low62.1Low135 Ų135128.1 Ų128.194%0.94473%0.73SS**  trans-68.190.5-171.939.40000113.6
598V59Low62.4Low126 Ų126126.4 Ų126.476%0.76473%0.728SS**  trans-126.8119172.2-173.80000111.9G596 I600G596-V598 PolarHBondContact O-N 3.31Å; V598-I600 PolarHBondContact O-N 3.4Å
599Q61.9Low62.8Low180 Ų180129.8 Ų129.884%0.84174%0.737SS**  trans-77.7100.6-174.2-168.1176.97600111.8V601Q599-V601 PolarHBondContact O-N 3.43Å; Q599-V601 VanDerWaalsContact O-N 3.07Å
600I63.9Low63.1Low156 Ų156129.5 Ų129.580%0.874%0.741SS**  trans-77.895.7-176.7-56.3-177.9000111.3V598 Y602V598-I600 PolarHBondContact O-N 3.4Å; I600-Y602 PolarHBondContact O-N 3.38Å; I600-Y602 VanDerWaalsContact O-N 3.12Å
601V72.2Confident63Low102 Ų102124.6 Ų124.662%0.61873%0.728SS**  trans-71.8101.3173.4-1760000110.3Q599 K603Q599-V601 PolarHBondContact O-N 3.43Å; Q599-V601 VanDerWaalsContact O-N 3.07Å; V601-K603 HydrophobicContact CG1-CG 4.38Å; V601-K603 PolarHBondContact O-N 2.94Å
602Y64Low63.3Low196 Ų196124.7 Ų124.777%0.76974%0.742SS**  trans-67.398.1178.6-174.5-99.6000112.2I600 P604I600-Y602 PolarHBondContact O-N 3.38Å; I600-Y602 VanDerWaalsContact O-N 3.12Å; Y602-P604 HydrophobicContact CE1-CB 3.9Å; Y602-P604 HydrophobicContact CE1-CG 4.05Å
603K74.4Confident63.3Low170 Ų170127.7 Ų127.774%0.73974%0.744SS**  trans-106.1106.5164-69179-178.6174.80107.8V601 V605V601-K603 HydrophobicContact CG1-CG 4.38Å; V601-K603 PolarHBondContact O-N 2.94Å; K603-V605 PolarHBondContact O-N 3.25Å
604P75.3Confident63.2Low88 Ų88128.2 Ų128.257%0.57175%0.749SS**  trans-62.5134.2179.624.7-32.3000110.4Y602Y602-P604 HydrophobicContact CE1-CB 3.9Å; Y602-P604 HydrophobicContact CE1-CG 4.05Å
605V73.4Confident63.3Low119 Ų119127.2 Ų127.272%0.72174%0.739SS**  trans-94.2124.8177.1176.70000108.9K603 L607K603-V605 PolarHBondContact O-N 3.25Å; V605-L607 PolarHBondContact O-N 3.19Å
606D67.7Low63.5Low144 Ų144127.6 Ų127.677%0.7773%0.729SS**  trans-6791.8179.6-78-44.8000112.3S608D606-S608 PolarHBondContact O-N 3.04Å
607L67Low63.6Low129 Ų129132.4 Ų132.468%0.67574%0.738SS**  trans-73.821.3172.9-62.1179.9000113.5V605 K609 V610V605-L607 PolarHBondContact O-N 3.19Å; L607-K609 PolarHBondContact O-N 3.22Å; L607-V610 HydrophobicContact CB-CG2 4.28Å; L607-V610 PolarHBondContact O-N 3.44Å
608S66.5Low64.5Low102 Ų102128.4 Ų128.471%0.71372%0.718SS**THydrogen-bonded Turntrans-64.911.1-173.958.90000115.9D606D606-S608 PolarHBondContact O-N 3.04Å
609K63.1Low64.5Low190 Ų190129.9 Ų129.983%0.82672%0.722SS**THydrogen-bonded Turntrans-123.1-2.4177.1-64.6179.7-178.6173.40113.8L607 T611L607-K609 PolarHBondContact O-N 3.22Å; K609-T611 PolarHBondContact O-N 3.01Å
610V66.1Low64.5Low119 Ų119127.2 Ų127.272%0.72171%0.712SS**  trans-82109.9178.3-176.30000109.5L607L607-V610 HydrophobicContact CB-CG2 4.28Å; L607-V610 PolarHBondContact O-N 3.44Å
611T64.2Low64.8Low96 Ų96128 Ų12859%0.58971%0.712SS**  trans-115.2129177.454.10000110.8K609 K613K609-T611 PolarHBondContact O-N 3.01Å; T611-K613 PolarHBondContact O-N 3.44Å
612S64.3Low64.7Low117 Ų117130.3 Ų130.382%0.81872%0.716SS**  trans-71.3122177460000110.8C614S612-C614 VanDerWaalsContact C-N 3.29Å; S612-C614 PolarHBondContact O-N 3.24Å
613K62.5Low65Low189 Ų189130 Ų13082%0.82272%0.718SS**  trans-91.530.2-176.9-64.4-66.3-176.3179.70113.7T611T611-K613 PolarHBondContact O-N 3.44Å
614C60.9Low64.8Low118 Ų118126.6 Ų126.680%0.79771%0.714SS**  trans-97.695.3-176.6-1670000111.4S612S612-C614 VanDerWaalsContact C-N 3.29Å; S612-C614 PolarHBondContact O-N 3.24Å
615G55.7Low64.5Low49 Ų49126.5 Ų126.551%0.50573%0.728SS.*  trans-71.5140.615700000109.6
616S53.4Low64.5Low88 Ų88124 Ų12462%0.61573%0.727SS**  64.4140.570.980.70000112.3
617L56.7Low64.7Low167 Ų167120.8 Ų120.887%0.87473%0.728SS**  cis-137.9150.128.9-65.9153.7000111.6
618G61.9Low64.8Low52 Ų52122.6 Ų122.654%0.53673%0.733SS.*SBendtrans165.3-110.6179.100000112.9I620G618-I620 PolarHBondContact O-N 2.95Å
619N60Low65Low157 Ų157123.9 Ų123.984%0.8474%0.736SS**SBendtrans-93.117.7-164.7-61.25.9000114.9H621 H622N619-H621 PolarHBondContact O-N 3.43Å; N619-H622 PolarHBondContact O-N 3.38Å
620I60.8Low65.6Low123 Ų123120.4 Ų120.463%0.63172%0.723SS**THydrogen-bonded Turntrans-69.8-4.5-166.9-15.7177.9000114.8G618G618-I620 PolarHBondContact O-N 2.95Å
621H69.9Low65.8Low173 Ų173120.3 Ų120.380%0.80172%0.722SS**THydrogen-bonded Turntrans-90.45-179.9-64.5113.1000114.1N619 K623N619-H621 PolarHBondContact O-N 3.43Å; H621-K623 PolarHBondContact O-N 3.45Å; H621-K623 VanDerWaalsContact O-N 3.14Å
622H70.8Confident66.3Low150 Ų150123.4 Ų123.469%0.69473%0.727SS**  trans-65113.7174.5-174-101.9000111.2N619 P624N619-H622 PolarHBondContact O-N 3.38Å; H622-P624 VanDerWaalsContact O-CD 3.27Å; H622-P624 WeakPolarHBondContact O-CD 3.43Å
623K70.9Confident66.5Low190 Ų190123.4 Ų123.483%0.82673%0.727SS**  trans-97.299168-68.9-66.7-173178.80108.4H621 G625H621-K623 PolarHBondContact O-N 3.45Å; H621-K623 VanDerWaalsContact O-N 3.14Å; K623-G625 PolarHBondContact O-N 3.34Å
624P69.3Low67.1Low99 Ų99122.5 Ų122.564%0.64373%0.726SS**  trans-65.3117.5170.927.1-31.8000108.8H622 G626H622-P624 VanDerWaalsContact O-CD 3.27Å; H622-P624 WeakPolarHBondContact O-CD 3.43Å; P624-G626 VanDerWaalsContact C-N 3.29Å; P624-G626 PolarHBondContact O-N 3.46Å
625G69.4Low67.6Low85 Ų85125.7 Ų125.788%0.87673%0.727SS**  trans-75.777.4176.400000111.5K623K623-G625 PolarHBondContact O-N 3.34Å
626G73.6Confident68.2Low68 Ų68128.2 Ų128.270%0.70173%0.728SS**  trans-71.5146.9173.900000112.6P624P624-G626 VanDerWaalsContact C-N 3.29Å; P624-G626 PolarHBondContact O-N 3.46Å
627G70.9Confident68.9Low76 Ų76130.6 Ų130.678%0.78473%0.734SS**  trans-70.5138.8-179.700000113.3V629G627-V629 PolarHBondContact O-N 3.24Å
628Q70.5Confident69.3Low167 Ų167127.7 Ų127.778%0.7871%0.714SS**  trans-82.3105.6176.3-176.6175.4-000110.5E630Q628-E630 HydrophobicContact CG-CG 4.48Å; Q628-E630 PolarHBondContact NE2-OE1 3.19Å
629V69.8Low69.6Low128 Ų128134.5 Ų134.578%0.77673%0.729SS**  trans-116.9100.7172.3-177.80000108.8G627G627-V629 PolarHBondContact O-N 3.24Å
630E75.9Confident70Confident117 Ų117134.5 Ų134.555%0.54773%0.729SS.*  trans-90.4108.6175.6-77.9176.2-153.700111.1Q628 K632Q628-E630 HydrophobicContact CG-CG 4.48Å; Q628-E630 PolarHBondContact NE2-OE1 3.19Å; E630-K632 WeakPolarHBondContact OE2-CE 3.3Å; E630-K632 IonicContact OE2-NZ 2.78Å; E630-K632 PolarHBondContact OE2-NZ 2.96Å
631V71.2Confident70.3Confident118 Ų118140 Ų14072%0.71574%0.742SS**  trans-92.2119.6166-177.40000108.4
632K75.1Confident70.3Confident160 Ų160137.2 Ų137.270%0.69674%0.737SS**  trans-102.5112.7-177.3-69.7176.5179.5166.50110E630 E634E630-K632 WeakPolarHBondContact OE2-CE 3.3Å; E630-K632 IonicContact OE2-NZ 2.78Å; E630-K632 PolarHBondContact OE2-NZ 2.96Å; K632-E634 PolarHBondContact O-N 2.98Å
633S67.1Low69.9Low117 Ų117138.4 Ų138.482%0.81874%0.743SS**  trans-85.187.8178.539.60000111.3
634E75.8Confident69.7Low171 Ų171134.6 Ų134.680%0.79974%0.74SS**  trans-69.1140.1166.7-172.2166.1179.900110.6K632 L636K632-E634 PolarHBondContact O-N 2.98Å; E634-L636 PolarHBondContact O-N 2.61Å; E634-L636 VanDerWaalsContact O-N 3.12Å
635K72.1Confident69.7Low185 Ų185139.8 Ų139.880%0.80475%0.753SS**  trans-82.990.6-176.4-70.2-169.9175.5-1700111.1
636L67.5Low69.5Low102 Ų102141.9 Ų141.953%0.53474%0.743SS.*  trans-89.7102.5166.1-68.4174.8000109.8E634 F638E634-L636 PolarHBondContact O-N 2.61Å; E634-L636 VanDerWaalsContact O-N 3.12Å; L636-F638 VanDerWaalsContact C-N 3.32Å; L636-F638 HydrophobicContact CB-CD2 3.97Å; L636-F638 HydrophobicContact CB-CE2 3.43Å; L636-F638 VanDerWaalsContact CB-CE2 3.43Å; L636-F638 HydrophobicContact CB-CZ 3.84Å; L636-F638 HydrophobicContact CD1-CE2 4.06Å; L636-F638 HydrophobicContact CD1-CZ 3.86Å; L636-F638 HydrophobicContact CG-CE2 4.4Å; L636-F638 HydrophobicContact CG-CZ 4.47Å; L636-F638 WeakPolarHBondContact O-CD2 3.48Å; L636-F638 PolarHBondContact O-N 3.17Å
637D68.7Low69.1Low138 Ų138141.8 Ų141.874%0.73874%0.741SS**  trans-77.877.2179.8-71.9-52.1000111.6K639D637-K639 PolarHBondContact O-N 2.99Å
638F64.7Low68.7Low105 Ų105142.3 Ų142.346%0.46173%0.733SS.*  trans-65.312.2175.3-67.7-72.5000115V283 L636 D640 V642V283-F638 HydrophobicContact CG2-CD2 4.46Å; V283-F638 HydrophobicContact CG2-CE2 4.18Å; L636-F638 VanDerWaalsContact C-N 3.32Å; L636-F638 HydrophobicContact CB-CD2 3.97Å; L636-F638 HydrophobicContact CB-CE2 3.43Å; L636-F638 VanDerWaalsContact CB-CE2 3.43Å; L636-F638 HydrophobicContact CB-CZ 3.84Å; L636-F638 HydrophobicContact CD1-CE2 4.06Å; L636-F638 HydrophobicContact CD1-CZ 3.86Å; L636-F638 HydrophobicContact CG-CE2 4.4Å; L636-F638 HydrophobicContact CG-CZ 4.47Å; L636-F638 WeakPolarHBondContact O-CD2 3.48Å; L636-F638 PolarHBondContact O-N 3.17Å; F638-D640 VanDerWaalsContact C-N 3.28Å; F638-D640 PolarHBondContact O-N 3.01Å; F638-D640 VanDerWaalsContact O-N 3.15Å; F638-V642 HydrophobicContact CB-CG2 3.9Å; F638-V642 HydrophobicContact CD1-CG2 4.3Å; F638-V642 HydrophobicContact CG-CG2 4.45Å
639K68.2Low68.5Low195 Ų195138.3 Ų138.385%0.84872%0.717SS**THydrogen-bonded Turntrans-70.5-16-158.9-14270.2-176.81680115.6D637D637-K639 PolarHBondContact O-N 2.99Å
640D68.2Low68.3Low158 Ų158138.3 Ų138.385%0.84571%0.712SS**THydrogen-bonded Turntrans-114.5-1.7-166.1-135.97.7000113.6F638F638-D640 VanDerWaalsContact C-N 3.28Å; F638-D640 PolarHBondContact O-N 3.01Å; F638-D640 VanDerWaalsContact O-N 3.15Å
641R67.1Low67.7Low238 Ų238139.8 Ų139.890%0.89872%0.724SS**THydrogen-bonded Turntrans-144.3-8.6-171.9-70.7-166.7171.8-142.6-6.5117.1Q643R641-Q643 PolarHBondContact O-N 2.93Å
642V69.1Low67.4Low114 Ų114140.4 Ų140.469%0.69172%0.722SS**  trans-93.298.2178-179.20000109.7F638F638-V642 HydrophobicContact CB-CG2 3.9Å; F638-V642 HydrophobicContact CD1-CG2 4.3Å; F638-V642 HydrophobicContact CG-CG2 4.45Å
643Q63.6Low67.1Low175 Ų175138.7 Ų138.782%0.81873%0.725SS**  trans-123.3127.9168.4-72.4-179.7-33.100109R641 K645R641-Q643 PolarHBondContact O-N 2.93Å; Q643-K645 PolarHBondContact O-N 3.33Å
644S65.9Low67.3Low111 Ų111140.1 Ų140.178%0.77672%0.718SS**  trans-70.6118.9171.740.30000110I646S644-I646 PolarHBondContact O-N 2.92Å
645K69.4Low67Low207 Ų207138 Ų13890%0.972%0.717SS**  trans-86.730.6-178.9-61.2-174.3177.3-176.80113.4Q643Q643-K645 PolarHBondContact O-N 3.33Å
646I65.9Low66.9Low130 Ų130133.8 Ų133.867%0.66771%0.708SS**  trans-124.8102.3-172.4-58.2175.6000107S644 S648S644-I646 PolarHBondContact O-N 2.92Å; I646-S648 PolarHBondContact O-N 3.2Å
647G65Low67Low65 Ų65132.9 Ų132.967%0.6772%0.723SS**  trans-83.796.5169.100000108.6
648S62.4Low67.3Low88 Ų88129.7 Ų129.762%0.61572%0.723SS**  trans-132.723.5-175.466.20000113.2I646I646-S648 PolarHBondContact O-N 3.2Å
649L65.8Low67.5Low83 Ų83128 Ų12844%0.43574%0.736SS.*  trans-111.1-11.9175.9-56.9-179.2000112E278 N651 I652E278-L649 VanDerWaalsContact OE2-CD1 3.27Å; E278-L649 WeakPolarHBondContact OE2-CD1 3.36Å; L649-N651 PolarHBondContact O-N 3.02Å; L649-I652 HydrophobicContact CB-CD1 4.02Å; L649-I652 HydrophobicContact CD2-CD1 3.62Å; L649-I652 HydrophobicContact CG-CD1 4.4Å; L649-I652 WeakPolarHBondContact O-CB 3.41Å; L649-I652 WeakPolarHBondContact O-CG1 3.43Å; L649-I652 PolarHBondContact O-N 3.07Å
650D66.2Low67.4Low128 Ų128124.3 Ų124.368%0.68473%0.725SS**THydrogen-bonded Turntrans-63.1-6.5-168-49.817.7000114.9
651N61.7Low67.5Low147 Ų147121.8 Ų121.879%0.78671%0.707SS**THydrogen-bonded Turntrans-111.5-0.5178-69.7-31.7000114.1L649 T653 H654L649-N651 PolarHBondContact O-N 3.02Å; N651-T653 PolarHBondContact O-N 2.88Å; N651-H654 PolarHBondContact O-N 2.9Å
652I65.2Low67.8Low131 Ų131114.6 Ų114.667%0.67268%0.682SS**THydrogen-bonded Turntrans-68-22.5-173.6-70.1175.2000112.6L649L649-I652 HydrophobicContact CB-CD1 4.02Å; L649-I652 HydrophobicContact CD2-CD1 3.62Å; L649-I652 HydrophobicContact CG-CD1 4.4Å; L649-I652 WeakPolarHBondContact O-CB 3.41Å; L649-I652 WeakPolarHBondContact O-CG1 3.43Å; L649-I652 PolarHBondContact O-N 3.07Å
653T70Confident68.1Low125 Ų125115 Ų11577%0.76768%0.679SS**THydrogen-bonded Turntrans-94.211.4-17842.30000114.8N651 V655N651-T653 PolarHBondContact O-N 2.88Å; T653-V655 PolarHBondContact O-N 2.94Å
654H70.4Confident68.7Low147 Ų147111.7 Ų111.768%0.68166%0.663SS**  trans-73.292.5176.9-179.9-81.8000112.4N651N651-H654 PolarHBondContact O-N 2.9Å
655V70.8Confident69.3Low127 Ų127110.7 Ų110.777%0.7765%0.653SS**  trans-86.4120.4165.5-177.70000108.7T653 G657T653-V655 PolarHBondContact O-N 2.94Å; V655-G657 PolarHBondContact O-N 2.94Å
656P69.6Low69.8Low95 Ų95108.3 Ų108.362%0.61765%0.645SS**  trans-69.3119.5-179.427.3-33.3000110.9G658P656-G658 PolarHBondContact O-N 2.79Å
657G69.7Low70.3Confident83 Ų83110.6 Ų110.686%0.85665%0.65SS**  trans-72.947.3-17600000115.7V655V655-G657 PolarHBondContact O-N 2.94Å
658G74.3Confident70.8Confident71 Ų71113.6 Ų113.673%0.73265%0.65SS**  trans-104.1150.1175.500000112.4P656P656-G658 PolarHBondContact O-N 2.79Å
659G68Low71.4Confident70 Ų70114.1 Ų114.172%0.72265%0.65SS**  trans139.7-17.4176.900000114.4K661G659-K661 VanDerWaalsContact C-N 3.32Å; G659-K661 PolarHBondContact O-N 2.96Å
660N67.3Low71.7Confident118 Ų118117 Ų11763%0.63166%0.659SS**  trans-72.4-10.9-168.8-62.1-21.3000115.3T91 A92T91-N660 CarbonylContact C-O 3.49Å; A92-N660 HydrophobicContact CB-CB 4.18Å; A92-N660 PolarHBondContact N-O 2.7Å; A92-N660 CarbonylContact O-C 2.8Å; A92-N660 WeakPolarHBondContact O-CB 3.35Å
661K70.6Confident71.8Confident105 Ų105123 Ų12346%0.45767%0.672SS.*  trans-41.2139.2-162.7-59.5-160.7143.1-78.60116.7T91 A92 E93 E94 G659T91-K661 WeakPolarHBondContact CA-O 3.45Å; A92-K661 WeakPolarHBondContact O-CA 3.33Å; A92-K661 PolarHBondContact O-N 2.83Å; E93-K661 WeakPolarHBondContact OE1-CA 3.38Å; E93-K661 VanDerWaalsContact OE1-CB 3.23Å; E93-K661 WeakPolarHBondContact OE1-CB 3.42Å; E93-K661 WeakPolarHBondContact OE1-CG 3.22Å; E93-K661 IonicContact OE1-NZ 2.81Å; E93-K661 PolarHBondContact OE1-NZ 3.28Å; E93-K661 IonicContact OE2-NZ 2.7Å; E93-K661 PolarHBondContact OE2-NZ 3.42Å; E94-K661 WeakPolarHBondContact OE1-CE 3.33Å; E94-K661 IonicContact OE1-NZ 2.78Å; E94-K661 PolarHBondContact OE1-NZ 2.9Å; G659-K661 VanDerWaalsContact C-N 3.32Å; G659-K661 PolarHBondContact O-N 2.96Å
662K73.9Confident72.1Confident86 Ų86123.5 Ų123.537%0.37467%0.669SS.*  cis88.43428.861.6-169.8156.9-92.10111.5T91 A92 E93 E664T91-K662 VanDerWaalsContact CA-N 3.32Å; T91-K662 HydrophobicContact CG2-CB 3.97Å; T91-K662 HydrophobicContact CG2-CG 4.48Å; T91-K662 VanDerWaalsContact CG2-N 3.28Å; T91-K662 PolarHBondContact O-NZ 3.11Å; T91-K662 PolarHBondContact OG1-NZ 2.98Å; A92-K662 VanDerWaalsContact CA-CG 3.42Å; E93-K662 HydrophobicContact CG-CB 3.85Å; E93-K662 HydrophobicContact CG-CG 4.01Å; E93-K662 WeakPolarHBondContact OE1-CA 3.27Å; K662-E664 HydrophobicContact CD-CG 4.48Å; K662-E664 IonicContact NZ-OE1 3.33Å; K662-E664 PolarHBondContact NZ-OE1 3.39Å
663I74.6Confident72.1Confident124 Ų124123.8 Ų123.864%0.63667%0.672SS**  trans-134.883.3154.2-48178.8000110.6T665I663-T665 PolarHBondContact O-N 3.02Å; I663-T665 PolarHBondContact O-OG1 3.42Å
664E76.6Confident71.8Confident104 Ų104121.5 Ų121.549%0.48667%0.666SS.*  trans-70.9112170.9-77.6177.6-164.600110.1T91 K662 H666T91-E664 HydrophobicContact CG2-CG 3.97Å; T91-E664 PolarHBondContact OG1-OE1 2.93Å; K662-E664 HydrophobicContact CD-CG 4.48Å; K662-E664 IonicContact NZ-OE1 3.33Å; K662-E664 PolarHBondContact NZ-OE1 3.39Å; E664-H666 PolarHBondContact O-N 3.39Å
665T78.2Confident71.5Confident91 Ų91123.3 Ų123.356%0.55867%0.672SS**  trans-94.980.9-167-58.50000112.6I663 K667I663-T665 PolarHBondContact O-N 3.02Å; I663-T665 PolarHBondContact O-OG1 3.42Å; T665-K667 HydrophobicContact CG2-CG 4.19Å; T665-K667 PolarHBondContact O-N 2.89Å
666H79Confident71.3Confident156 Ų156121.8 Ų121.872%0.72267%0.672SS**  trans-73.185.6174-70.9-56.6000113E664 L668E664-H666 PolarHBondContact O-N 3.39Å; H666-L668 PolarHBondContact O-N 3.21Å
667K77.2Confident71.2Confident178 Ų178127.2 Ų127.277%0.77469%0.686SS**  trans-72.5104171-77.7173.4-178.8170.10111.5T665 T669T665-K667 HydrophobicContact CG2-CG 4.19Å; T665-K667 PolarHBondContact O-N 2.89Å; K667-T669 PolarHBondContact O-N 3.23Å
668L75.5Confident71Confident128 Ų128128.8 Ų128.867%0.6768%0.68SS**  trans-82.1105.7176.9-66.2173.5000112.1H666 F670H666-L668 PolarHBondContact O-N 3.21Å; L668-F670 VanDerWaalsContact C-N 3.31Å; L668-F670 HydrophobicContact CB-CD2 4Å; L668-F670 HydrophobicContact CB-CE1 4.46Å; L668-F670 HydrophobicContact CB-CE2 3.49Å; L668-F670 VanDerWaalsContact CB-CE2 3.49Å; L668-F670 HydrophobicContact CB-CZ 3.76Å; L668-F670 HydrophobicContact CD1-CE1 4.48Å; L668-F670 HydrophobicContact CD1-CE2 4.07Å; L668-F670 HydrophobicContact CD1-CZ 3.64Å; L668-F670 HydrophobicContact CG-CE2 4.44Å; L668-F670 HydrophobicContact CG-CZ 4.33Å; L668-F670 VanDerWaalsContact O-CD2 3.31Å; L668-F670 WeakPolarHBondContact O-CD2 3.43Å; L668-F670 PolarHBondContact O-N 3.25Å
669T74.4Confident70.2Confident100 Ų100132.5 Ų132.561%0.61368%0.683SS**  trans-82.864.1179.444.70000113K667 R671 E672K667-T669 PolarHBondContact O-N 3.23Å; T669-R671 PolarHBondContact O-N 3.5Å; T669-E672 PolarHBondContact O-N 3.04Å
670F71.6Confident69.6Low142 Ų142137.4 Ų137.462%0.62369%0.687SS**Hα-helixtrans-52.8-24.6-176.6-66.9-76.4000115.8L668 E672 A674L668-F670 VanDerWaalsContact C-N 3.31Å; L668-F670 HydrophobicContact CB-CD2 4Å; L668-F670 HydrophobicContact CB-CE1 4.46Å; L668-F670 HydrophobicContact CB-CE2 3.49Å; L668-F670 VanDerWaalsContact CB-CE2 3.49Å; L668-F670 HydrophobicContact CB-CZ 3.76Å; L668-F670 HydrophobicContact CD1-CE1 4.48Å; L668-F670 HydrophobicContact CD1-CE2 4.07Å; L668-F670 HydrophobicContact CD1-CZ 3.64Å; L668-F670 HydrophobicContact CG-CE2 4.44Å; L668-F670 HydrophobicContact CG-CZ 4.33Å; L668-F670 VanDerWaalsContact O-CD2 3.31Å; L668-F670 WeakPolarHBondContact O-CD2 3.43Å; L668-F670 PolarHBondContact O-N 3.25Å; F670-E672 VanDerWaalsContact C-N 3.27Å; F670-E672 PolarHBondContact O-N 3.36Å; F670-A674 VanDerWaalsContact O-CB 3.22Å; F670-A674 WeakPolarHBondContact O-CB 3.35Å; F670-A674 PolarHBondContact O-N 3.38Å
671R69.7Low68.9Low256 Ų256135.9 Ų135.997%0.96670%0.699SS**Hα-helixtrans-67.4-20.2-171.7-54.8-174.687.3152.54.9114.6T669T669-R671 PolarHBondContact O-N 3.5Å
672E66.8Low68.5Low156 Ų156134.6 Ų134.673%0.72971%0.707SS**Hα-helixtrans-102.8-34.2-179-167.7163.3-165.700112.6T669 F670T669-E672 PolarHBondContact O-N 3.04Å; F670-E672 VanDerWaalsContact C-N 3.27Å; F670-E672 PolarHBondContact O-N 3.36Å
673N66.6Low67.9Low138 Ų138139 Ų13974%0.73873%0.73SS**Hα-helixtrans-89.3-18.5-174.8-68-9.5000114.1K675N673-K675 PolarHBondContact O-N 3.22Å
674A64.1Low67.5Low76 Ų76139.9 Ų139.963%0.62873%0.734SS**  trans-90.271.7-17700000113.3F670 A676F670-A674 VanDerWaalsContact O-CB 3.22Å; F670-A674 WeakPolarHBondContact O-CB 3.35Å; F670-A674 PolarHBondContact O-N 3.38Å; A674-A676 PolarHBondContact O-N 3.47Å
675K63.8Low67Low185 Ų185140.2 Ų140.280%0.80474%0.743SS**  trans-80114.4173.4-68.1-170.4178.2-175.90111.9N673N673-K675 PolarHBondContact O-N 3.22Å
676A66.7Low66.3Low95 Ų95146.2 Ų146.279%0.78576%0.757SS**  trans-65.1138.4170.800000111A674 T678A674-A676 PolarHBondContact O-N 3.47Å; A676-T678 VanDerWaalsContact C-N 3.32Å; A676-T678 PolarHBondContact O-N 3.13Å
677K66.6Low65.5Low209 Ų209147.5 Ų147.591%0.90976%0.76SS**SBendtrans-89.819.8-174.9-80.4-173.7171.5-179.80114.7
678T65.7Low64.2Low117 Ų117143.6 Ų143.672%0.71876%0.755SS**  trans-125.485.6-170.8-48.60000110.6A676 H680A676-T678 VanDerWaalsContact C-N 3.32Å; A676-T678 PolarHBondContact O-N 3.13Å; T678-H680 PolarHBondContact O-N 3.31Å
679D56.8Low63.4Low149 Ų149143.6 Ų143.680%0.79776%0.763SS**  trans-79.887.5168.7174.826.4000110.4
680H56.1Low61.9Low173 Ų173144.2 Ų144.280%0.80177%0.767SS**  trans-136.398.3153.2-80.4-7.5000106.8T678 A682T678-H680 PolarHBondContact O-N 3.31Å; H680-A682 PolarHBondContact O-N 3.2Å
681G53.4Low60.9Low86 Ų86144.5 Ų144.589%0.88778%0.779SS**  trans-64.393.3-174.100000114
682A61.6Low59.7Low77 Ų77136.9 Ų136.964%0.63677%0.766SS**  trans-120.2112.1166.900000109.5H680 I684H680-A682 PolarHBondContact O-N 3.2Å; A682-I684 PolarHBondContact O-N 3.38Å; A682-I684 VanDerWaalsContact O-N 3.07Å
683E61.6Low58.7Low180 Ų180132.1 Ų132.184%0.84176%0.758SS**  trans-69.2101.7170.7-66.3-173.2160.100109.4V685E683-V685 HydrophobicContact CB-CG2 4.41Å; E683-V685 PolarHBondContact O-N 2.96Å
684I64.6Low57.4Low141 Ų141133.1 Ų133.172%0.72376%0.764SS**  trans-7879.9176.6-56.1-177.7000109.2A682 Y686A682-I684 PolarHBondContact O-N 3.38Å; A682-I684 VanDerWaalsContact O-N 3.07Å; I684-Y686 HydrophobicContact CG2-CD2 3.9Å; I684-Y686 HydrophobicContact CG2-CE2 4.34Å; I684-Y686 PolarHBondContact O-N 3.22Å
685V68Low56.6Low112 Ų112136 Ų13668%0.67977%0.774SS**  trans-74.599.9171.1-179.40000109.3E683 K687E683-V685 HydrophobicContact CB-CG2 4.41Å; E683-V685 PolarHBondContact O-N 2.96Å; V685-K687 HydrophobicContact CG1-CG 4.27Å
686Y61.6Low55.7Low217 Ų217131.7 Ų131.785%0.85177%0.767SS**  trans-91.1112.8164.7-108.4-86.9000110.6I684I684-Y686 HydrophobicContact CG2-CD2 3.9Å; I684-Y686 HydrophobicContact CG2-CE2 4.34Å; I684-Y686 PolarHBondContact O-N 3.22Å
687K63.8Low55Low183 Ų183133.2 Ų133.280%0.79677%0.769SS**PPolyproline II helixtrans-77149.6172-64.4175.265.1179.50109.9V685V685-K687 HydrophobicContact CG1-CG 4.27Å
688S48.5Very low54.4Low95 Ų95134.1 Ų134.166%0.66477%0.766SS**PPolyproline II helixtrans-77.3163.1-171.955.90000114.5
689P58.7Low53.6Low129 Ų129136.5 Ų136.584%0.83877%0.769SS**PPolyproline II helixtrans-79.8136138.4-17.433.2000110.3
690V43.9Very low53.4Low113 Ų113135.8 Ų135.869%0.68576%0.764SS**PPolyproline II helixtrans-79.7122.9-178.3173.20000111.3
691V51.1Low53Low147 Ų147132.8 Ų132.889%0.89176%0.763SS**  trans-131.8108.6139.4-179.90000106.5
692S44.8Very low52.6Low97 Ų97136.8 Ų136.868%0.67876%0.764SS**  trans-74.8159.6174.2-46.30000110.5
693G44.8Very low52Low56 Ų56139.8 Ų139.858%0.57777%0.774SS**  trans147.219.5174.400000118.7T695G693-T695 PolarHBondContact O-N 2.58Å; G693-T695 VanDerWaalsContact O-N 3.11Å
694D38.9Very low51.3Low159 Ų159136.7 Ų136.785%0.8577%0.772SS**  trans53.146.3134.7-45.5-11.8000119
695T47Very low50.5Low136 Ų136135 Ų13583%0.83477%0.773SS**  trans-143.8152.715525.80000113.7G693 P697G693-T695 PolarHBondContact O-N 2.58Å; G693-T695 VanDerWaalsContact O-N 3.11Å; T695-P697 WeakPolarHBondContact O-CD 3.34Å
696S45.9Very low49.4Very low94 Ų94136.7 Ų136.766%0.65778%0.784SS**  trans-69.2123.2-166-173.90000114.4R698S696-R698 PolarHBondContact O-N 3.01Å
697P51.8Low49.1Very low128 Ų128129.9 Ų129.983%0.83178%0.78SS**  trans-73.492.6172.1-16.531.8000111.9T695T695-P697 WeakPolarHBondContact O-CD 3.34Å
698R54.4Low48.5Very low227 Ų227127 Ų12786%0.85778%0.782SS**  trans-94.1110.5167.5-76.4-172.8172.8169.5-0.9110S696 L700S696-R698 PolarHBondContact O-N 3.01Å; R698-L700 PolarHBondContact O-N 3.42Å
699H48Very low49Very low167 Ų167130 Ų13077%0.77379%0.789SS**  trans-88.1102.2-165.3-172-73000113
700L52.8Low48.6Very low134 Ų134130.2 Ų130.270%0.70278%0.784SS**  trans28.8119.1137.2-49.4173.8000118R698R698-L700 PolarHBondContact O-N 3.42Å
701S47.1Very low49.2Very low111 Ų111132.6 Ų132.678%0.77679%0.789SS**  163130.393.9510000112.7
702N46.7Very low49.7Very low170 Ų170131.6 Ų131.691%0.90978%0.783SS**SBendtrans-166.134.5149.5-110.92.2000113
703V47.3Very low50.5Low140 Ų140134.6 Ų134.685%0.84879%0.792SS**  trans-121.4110.6167.2-73.40000109.1
704S47.9Very low51.2Low114 Ų114136.3 Ų136.380%0.79780%0.795SS**  trans-172.6145.6-179.2-91.70000110.3
705S47.3Very low52.6Low105 Ų105133 Ų13373%0.73478%0.782SS**  cis-160.3127.2-3.2-111.40000111.9
706T44.8Very low53.6Low149 Ų149133.8 Ų133.891%0.91478%0.776SS**  trans-155.1136.5153.748.70000108.1
707G56.1Low54.7Low74 Ų74136.3 Ų136.376%0.76378%0.781SS**  cis17179.9-3.200000113.2
708S51.5Low55.5Low121 Ų121133.6 Ų133.685%0.84677%0.77SS**  trans48.1104.8159.2-179.10000119.4
709I58.1Low56.6Low158 Ų158126.3 Ų126.381%0.8175%0.751SS**  trans-145.7145.9144.8-166.259.7000110.6
710D51.3Low58.1Low135 Ų135122.8 Ų122.872%0.72274%0.737SS**  trans-68.1139-179-82.2-71.2000113.1V712D710-V712 HydrophobicContact CB-CG2 4.39Å
711M55.4Low59.5Low163 Ų163119.2 Ų119.280%0.80373%0.727SS**  trans-110.116.6170.1-72.6-170.866.700113.1D713M711-D713 VanDerWaalsContact C-N 3.32Å; M711-D713 PolarHBondContact O-N 3.02Å
712V61.1Low61.4Low126 Ų126119.8 Ų119.876%0.76472%0.721SS**THydrogen-bonded Turntrans-83.3-1.1-164.5-164.10000113.8D710D710-V712 HydrophobicContact CB-CG2 4.39Å
713D61.9Low63.3Low160 Ų160118.4 Ų118.486%0.85671%0.709SS**THydrogen-bonded Turntrans-138.531.3-173.8-155.821.8000114.3M711M711-D713 VanDerWaalsContact C-N 3.32Å; M711-D713 PolarHBondContact O-N 3.02Å
714S60.2Low65.2Low92 Ų92116 Ų11664%0.64369%0.694SS**PPolyproline II helixtrans-87117.5168.4-74.40000110.3Q716S714-Q716 PolarHBondContact O-N 3.2Å
715P68Low67Low90 Ų90114 Ų11458%0.58468%0.68SS**PPolyproline II helixtrans-62.9126.8174.325.9-33.1000109.9L717P715-L717 PolarHBondContact O-N 3.06Å
716Q67.8Low69Low152 Ų152111.1 Ų111.171%0.7166%0.663SS**PPolyproline II helixtrans-58.3135-178.5-65.6177.6-18.200110.1S714 A718 T719S714-Q716 PolarHBondContact O-N 3.2Å; Q716-A718 PolarHBondContact O-N 2.87Å; Q716-T719 WeakPolarHBondContact O-CB 3.49Å; Q716-T719 PolarHBondContact O-N 2.93Å; Q716-T719 PolarHBondContact O-OG1 2.68Å
717L69.1Low71.1Confident146 Ų146106.3 Ų106.376%0.76464%0.636SS**Hα-helixtrans-53.2-28.5-174.2-63.3175.5000113.7P715 T719 L720 A721P715-L717 PolarHBondContact O-N 3.06Å; L717-T719 VanDerWaalsContact C-N 3.27Å; L717-T719 PolarHBondContact O-N 2.91Å; L717-L720 PolarHBondContact O-N 3.26Å; L717-A721 PolarHBondContact O-N 3.08Å
718A69.7Low72.6Confident72 Ų72106.9 Ų106.960%0.59562%0.621SS**Hα-helixtrans-53.7-38.2171.800000113.7Q716 L720 A721 D722Q716-A718 PolarHBondContact O-N 2.87Å; A718-L720 PolarHBondContact O-N 3.24Å; A718-A721 PolarHBondContact O-N 3.43Å; A718-D722 PolarHBondContact O-N 2.63Å
719T77.1Confident74.3Confident73 Ų73104.7 Ų104.745%0.44861%0.61SS.*Hα-helixtrans-67.2-36.1-179.959.50000112.6Q716 L717 D722 E723Q716-T719 WeakPolarHBondContact O-CB 3.49Å; Q716-T719 PolarHBondContact O-N 2.93Å; Q716-T719 PolarHBondContact O-OG1 2.68Å; L717-T719 VanDerWaalsContact C-N 3.27Å; L717-T719 PolarHBondContact O-N 2.91Å; T719-D722 PolarHBondContact O-N 2.75Å; T719-E723 PolarHBondContact O-N 3.3Å; T719-E723 VanDerWaalsContact O-N 3.13Å
720L79.1Confident75.7Confident94 Ų94105.4 Ų105.449%0.49261%0.608SS.*Hα-helixtrans-70.9-36176.6-64.7173.2000111.8L717 A718 D722 E723 V724L717-L720 PolarHBondContact O-N 3.26Å; A718-L720 PolarHBondContact O-N 3.24Å; L720-D722 VanDerWaalsContact C-N 3.34Å; L720-E723 PolarHBondContact O-N 3.05Å; L720-V724 WeakPolarHBondContact O-CG2 3.26Å; L720-V724 PolarHBondContact O-N 3.38Å
721A82.5Confident76.9Confident58 Ų58106.5 Ų106.548%0.47961%0.608SS.*Hα-helixtrans-63.3-39.9175.200000112.1L717 A718 S725L717-A721 PolarHBondContact O-N 3.08Å; A718-A721 PolarHBondContact O-N 3.43Å; A721-S725 WeakPolarHBondContact O-CB 3.33Å; A721-S725 PolarHBondContact O-N 2.86Å; A721-S725 PolarHBondContact O-OG 2.98Å
722D87.4Confident77.8Confident123 Ų123102 Ų10266%0.65860%0.603SS**Hα-helixtrans-67.3-41.3176.5-12822.3000111.4A718 T719 L720 S725 A726A718-D722 PolarHBondContact O-N 2.63Å; T719-D722 PolarHBondContact O-N 2.75Å; L720-D722 VanDerWaalsContact C-N 3.34Å; D722-S725 PolarHBondContact O-N 3.31Å; D722-A726 WeakPolarHBondContact O-CB 3.38Å; D722-A726 PolarHBondContact O-N 3.07Å
723E85.4Confident77.6Confident141 Ų141104.6 Ų104.666%0.65961%0.612SS**Hα-helixtrans-70.6-34.9-179.5-153.5179.5117.200113.1T719 L720 S727T719-E723 PolarHBondContact O-N 3.3Å; T719-E723 VanDerWaalsContact O-N 3.13Å; L720-E723 PolarHBondContact O-N 3.05Å; E723-S727 WeakPolarHBondContact O-CB 3.21Å; E723-S727 PolarHBondContact O-N 2.63Å; E723-S727 VanDerWaalsContact O-N 3.08Å; E723-S727 PolarHBondContact O-OG 3.15Å
724V86.6Confident78.4Confident89 Ų89101.9 Ų101.954%0.53960%0.6SS.*Hα-helixtrans-65.2-45170.2170.60000110.8L720 S727 L728L720-V724 WeakPolarHBondContact O-CG2 3.26Å; L720-V724 PolarHBondContact O-N 3.38Å; V724-S727 WeakPolarHBondContact O-CA 3.1Å; V724-S727 WeakPolarHBondContact O-CB 3.19Å; V724-S727 PolarHBondContact O-N 3.38Å; V724-L728 HydrophobicContact CG1-CD1 4.27Å; V724-L728 PolarHBondContact O-N 3.07Å
725S87.3Confident79.3Confident72 Ų72102.4 Ų102.450%0.50360%0.598SS.*Hα-helixtrans-62-45.5178.3-59.60000111.7A721 D722 S727 L728 A729A721-S725 WeakPolarHBondContact O-CB 3.33Å; A721-S725 PolarHBondContact O-N 2.86Å; A721-S725 PolarHBondContact O-OG 2.98Å; D722-S725 PolarHBondContact O-N 3.31Å; S725-S727 PolarHBondContact O-N 2.86Å; S725-L728 PolarHBondContact O-N 3.33Å; S725-A729 WeakPolarHBondContact O-CB 3.45Å; S725-A729 PolarHBondContact O-N 2.82Å; S725-A729 VanDerWaalsContact O-N 3.07Å
726A88.9Confident80Confident45 Ų45103.1 Ų103.137%0.37260%0.599SS.*Hα-helixtrans-64.3-21.317400000113.4D722 K730D722-A726 WeakPolarHBondContact O-CB 3.38Å; D722-A726 PolarHBondContact O-N 3.07Å; A726-K730 WeakPolarHBondContact O-CD 3.48Å; A726-K730 VanDerWaalsContact O-CG 3.26Å; A726-K730 WeakPolarHBondContact O-CG 3.39Å; A726-K730 PolarHBondContact O-N 2.76Å
727S88Confident80.7Confident49 Ų49100.2 Ų100.234%0.34359%0.592SS.*Hα-helixtrans-85.6-38.1177.2-63.70000112.8E723 V724 S725 K730 Q731E723-S727 WeakPolarHBondContact O-CB 3.21Å; E723-S727 PolarHBondContact O-N 2.63Å; E723-S727 VanDerWaalsContact O-N 3.08Å; E723-S727 PolarHBondContact O-OG 3.15Å; V724-S727 WeakPolarHBondContact O-CA 3.1Å; V724-S727 WeakPolarHBondContact O-CB 3.19Å; V724-S727 PolarHBondContact O-N 3.38Å; S725-S727 PolarHBondContact O-N 2.86Å; S727-K730 PolarHBondContact O-N 2.96Å; S727-Q731 PolarHBondContact O-N 2.87Å
728L88.4Confident81.4Confident85 Ų8597.3 Ų97.345%0.44558%0.581SS.*Hα-helixtrans-61.5-45.9168.5-98.575.7000111V724 S725 K730 Q731 G732 L733V724-L728 HydrophobicContact CG1-CD1 4.27Å; V724-L728 PolarHBondContact O-N 3.07Å; S725-L728 PolarHBondContact O-N 3.33Å; L728-K730 PolarHBondContact O-N 2.9Å; L728-K730 VanDerWaalsContact O-N 3.15Å; L728-Q731 CarbonylContact O-C 3.56Å; L728-Q731 WeakPolarHBondContact O-CA 3.2Å; L728-Q731 PolarHBondContact O-N 2.76Å; L728-G732 PolarHBondContact O-N 3.44Å; L728-L733 HydrophobicContact CD2-CB 4.32Å; L728-L733 HydrophobicContact CG-CB 4.44Å
729A86.8Confident82.2Confident76 Ų7699 Ų9963%0.62858%0.58SS**Hα-helixtrans-58.8-28.4177.500000113.4S725S725-A729 WeakPolarHBondContact O-CB 3.45Å; S725-A729 PolarHBondContact O-N 2.82Å; S725-A729 VanDerWaalsContact O-N 3.07Å
730K86.7Confident82.5Confident173 Ų173100.9 Ų100.975%0.75259%0.59SS**Hα-helixtrans-78.4-22.2172.6-75.3166.6-172.5163.50113.9A726 S727 L728A726-K730 WeakPolarHBondContact O-CD 3.48Å; A726-K730 VanDerWaalsContact O-CG 3.26Å; A726-K730 WeakPolarHBondContact O-CG 3.39Å; A726-K730 PolarHBondContact O-N 2.76Å; S727-K730 PolarHBondContact O-N 2.96Å; L728-K730 PolarHBondContact O-N 2.9Å; L728-K730 VanDerWaalsContact O-N 3.15Å
731Q78.5Confident82.8Confident157 Ų157101.4 Ų101.473%0.73460%0.597SS**Hα-helixtrans-92-15.3175.5-66.4-170.510.500113.2S727 L728 L733S727-Q731 PolarHBondContact O-N 2.87Å; L728-Q731 CarbonylContact O-C 3.56Å; L728-Q731 WeakPolarHBondContact O-CA 3.2Å; L728-Q731 PolarHBondContact O-N 2.76Å; Q731-L733 HydrophobicContact CB-CD1 4.36Å
732G72.3Confident82.8Confident68 Ų68105 Ų10570%0.70161%0.607SS**THydrogen-bonded Turntrans79.932.3176.500000114.1L728L728-G732 PolarHBondContact O-N 3.44Å
733L57.7Low82.4Confident182 Ų182103.4 Ų103.495%0.95360%0.603SS**  trans-89.20161.7-84.779.2000110.1L728 Q731L728-L733 HydrophobicContact CD2-CB 4.32Å; L728-L733 HydrophobicContact CG-CB 4.44Å; Q731-L733 HydrophobicContact CB-CD1 4.36Å

Retrieved 733 of 733 residues in 97.9 ms (Link to these results)