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Isoform Tau-E of Microtubule-associated protein tau AlphaSync

Canonical isoform description: Promotes microtubule assembly and stability, and might be involved in the establishment and maintenance of neuronal polarity1. The C-terminus binds axonal microtubules while the N-terminus binds neural plasma membrane components, suggesting that tau functions as a linker protein between both2,3. Axonal polarity is predetermined by TAU/MAPT 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 P10636-7 (canonical: P10636), Species HUMAN (Homo sapiens, Human), Gene MAPT, Length 412 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.3Very low51.7Low239 Ų239160.9 Ų160.9100%1.17781%0.807SS**  0134.80-79.8-61.4-166.600107.5
2A53Low51.4Low103 Ų103159.8 Ų159.885%0.85180%0.797SS**  trans43.9104.1168.700000119.1
3E55Low51.3Low145 Ų145159.2 Ų159.268%0.67880%0.798SS**  trans-69.5-177.2141.2-121.4-150.1135.100109R5E3-R5 WeakPolarHBondContact OE1-CG 3.31Å; E3-R5 IonicContact OE1-CZ 2.63Å; E3-R5 IonicContact OE1-NE 3.74Å; E3-R5 PolarHBondContact OE1-NE 3.17Å
4P55.8Low50.8Low100 Ų100158.6 Ų158.665%0.64979%0.791SS**  cis-134.2173.30.926.6-1.8000116.3
5R50.4Low50.7Low194 Ų194155.4 Ų155.473%0.73280%0.799SS**  trans28154.4130-51.2171.2-178-128.5-3.7120E3E3-R5 WeakPolarHBondContact OE1-CG 3.31Å; E3-R5 IonicContact OE1-CZ 2.63Å; E3-R5 IonicContact OE1-NE 3.74Å; E3-R5 PolarHBondContact OE1-NE 3.17Å
6Q52.8Low50.1Low172 Ų172148.3 Ų148.380%0.80478%0.776SS**  cis-153.9162.429.1-145.5148126.400111.6
7E56.3Low49.6Very low177 Ų177148.2 Ų148.283%0.82778%0.783SS**  trans-84.4159-172.1-71154.9165.300113.2
8F44Very low49.4Very low170 Ų170151.3 Ų151.375%0.74678%0.784SS**  trans-74.1148.616258.2-83.7000109
9E45.7Very low48.9Very low172 Ų172147.5 Ų147.580%0.80479%0.786SS**  -163.9166.8116.4-153.4142.5-155.100109.6
10V51Low49Very low120 Ų120148.8 Ų148.873%0.72779%0.792SS**  trans-94.6131.9-177.3-77.10000111.2E12V10-E12 PolarHBondContact O-N 3.28Å
11M56.7Low48.8Very low178 Ų178144.6 Ų144.688%0.87778%0.784SS**  trans-88.591.5174.2-14679.2179.300109.6
12E48Very low48.7Very low148 Ų148141.6 Ų141.669%0.69277%0.773SS**  trans-68.3124.3155.9-83.1165.395.800108.3V10 H14V10-E12 PolarHBondContact O-N 3.28Å; E12-H14 IonicContact OE1-NE2 2.73Å
13D49.5Very low48.6Very low152 Ų152147.9 Ų147.981%0.81378%0.775SS**  trans-123.6114.3166.4-131-25.4000108.8
14H44.7Very low48.2Very low151 Ų151150.5 Ų150.570%0.69978%0.784SS**  trans-98168.8-177.7-78.5-78000111.1E12E12-H14 IonicContact OE1-NE2 2.73Å
15A49.5Very low47.8Very low110 Ų110153 Ų15391%0.90979%0.792SS**  trans71.8145.4178.300000115.4
16G40.5Very low47.5Very low42 Ų42153.2 Ų153.243%0.43380%0.801SS.*  cis14051.20.300000113Y18G16-Y18 WeakPolarHBondContact O-CD2 3.43Å; G16-Y18 PolarHBondContact O-N 2.94Å
17T42.7Very low46.9Very low147 Ų147148 Ų14890%0.90279%0.794SS**  trans-94.885.4177.745.50000110.4G19T17-G19 PolarHBondContact O-N 3.3Å
18Y45.2Very low46.2Very low204 Ų204142.7 Ų142.780%0.879%0.786SS**  trans-69.988.1178.7-58.7-82000111.3G16 L20G16-Y18 WeakPolarHBondContact O-CD2 3.43Å; G16-Y18 PolarHBondContact O-N 2.94Å; Y18-L20 PolarHBondContact O-N 3.42Å
19G40.4Very low45.9Very low79 Ų79145.2 Ų145.281%0.81479%0.793SS**  trans-69.459.5-179.200000115.2T17T17-G19 PolarHBondContact O-N 3.3Å
20L49.8Very low46Very low172 Ų172142.3 Ų142.390%0.90179%0.787SS**  trans-87.5120.5163.2-78.5157.1000108.8Y18Y18-L20 PolarHBondContact O-N 3.42Å
21G46Very low45.8Very low62 Ų62144.9 Ų144.964%0.63979%0.793SS**  cis171.4132.5-1000000110.7R23G21-R23 PolarHBondContact O-N 3.43Å
22D45.5Very low45.6Very low176 Ų176143.3 Ų143.394%0.94178%0.783SS**  trans-67.4100.3179.7-92.9-71.7000111.9
23R50.1Low45.4Very low234 Ų234144.4 Ų144.488%0.88379%0.788SS**  trans-140.7101162.2-145.6-179.4-61.9179.73.1110.7G21 D25G21-R23 PolarHBondContact O-N 3.43Å; R23-D25 PolarHBondContact O-N 3.11Å
24K47Very low45.2Very low200 Ų200142.7 Ų142.787%0.8778%0.779SS**  trans-58.9124.7169.1-67.3173.8176.91770109.8
25D47.8Very low45.2Very low153 Ų153143.6 Ų143.682%0.81878%0.783SS**  trans-150.3110.4137.3-15950.1000109.2R23R23-D25 PolarHBondContact O-N 3.11Å
26Q44.3Very low44.8Very low199 Ų199147.6 Ų147.693%0.9378%0.783SS**  trans-10171.2174.8-75.6-167.93.400109.6G28Q26-G28 PolarHBondContact O-N 3.02Å; Q26-G28 VanDerWaalsContact O-N 3.09Å
27G40.7Very low45Very low63 Ų63149.3 Ų149.365%0.64980%0.801SS**  trans-74.786168.700000111.3
28G40.2Very low45.2Very low65 Ų65149.5 Ų149.567%0.6780%0.797SS**  trans-80.9141.918000000114Q26Q26-G28 PolarHBondContact O-N 3.02Å; Q26-G28 VanDerWaalsContact O-N 3.09Å
29Y38.3Very low45.5Very low223 Ų223145.4 Ų145.488%0.87579%0.793SS**  trans-134.995.5163.9-83.3-81.1000110.6
30T48.7Very low45.8Very low111 Ų111149.4 Ų149.468%0.68180%0.796SS**  trans-80.8130.4165.2-59.90000109.1
31M46Very low45.4Very low173 Ų173145.5 Ų145.585%0.85279%0.789SS**  trans-119.8126.1164.2-73.1-65.6-67.300109
32H52.3Low45.1Very low145 Ų145145.8 Ų145.867%0.67179%0.791SS**  trans-97-176.5174.3-74-88.7000110.7
33Q43.9Very low45.2Very low172 Ų172144.8 Ų144.880%0.80479%0.785SS**  trans74.3138.4167.1-76146.576.100113.9
34D46.6Very low45Very low115 Ų115141.2 Ų141.262%0.61578%0.776SS**  cis-137.4149.610.1-80.4-56.9000111.1
35Q44Very low44.5Very low170 Ų170139 Ų13979%0.79477%0.768SS**  56.514490.2-43.7-175.291.100114.9
36E41.6Very low44.4Very low194 Ų194136.9 Ų136.991%0.90777%0.766SS**  cis-143.8168.316.9-63.5175.5-9300113.1
37G43.9Very low44.5Very low79 Ų79132.6 Ų132.681%0.81476%0.755SS**  trans94.1154157.400000119.3
38D46.8Very low44.5Very low151 Ų151136.2 Ų136.281%0.80776%0.759SS**  cis-163.5171.4-16.4-162.15000111
39T52.7Low44.5Very low118 Ų118141.2 Ų141.272%0.72477%0.765SS**  trans66.690.3165.554.90000120.7
40D45Very low44.4Very low163 Ų163136.3 Ų136.387%0.87276%0.759SS**  45.9153.9118.7-159.336.6000124.2
41A42Very low44.3Very low90 Ų90136 Ų13674%0.74476%0.758SS**  trans67.2135.8167.400000118.7
42G40.2Very low44.3Very low67 Ų67133.2 Ų133.269%0.69175%0.751SS**  cis148.9136.1-8.400000113.6
43L47.6Very low43.9Very low156 Ų156134.5 Ų134.582%0.81776%0.757SS**  trans72.6126.7165.9-55.9177.4000119.6
44K45.2Very low44.1Very low158 Ų158134.1 Ų134.169%0.68776%0.761SS**  trans70151138.8-67.4168.2157.4-940118
45E37.7Very low43.9Very low153 Ų153131.2 Ų131.272%0.71576%0.758SS**  cis-152.8163.8-12.4-123.3157.5145.200109.3
46S45.5Very low44.1Very low109 Ų109128.5 Ų128.576%0.76276%0.758SS**  trans-76.1-164.3167.2-430000109.9
47P45.8Very low44.3Very low109 Ų109128.2 Ų128.271%0.70876%0.756SS**  cis-141.1-149.72.128.60.2000114.6
48L40.6Very low44.3Very low139 Ų139133.1 Ų133.173%0.72876%0.758SS**  trans85.6136.6172.7-75.178.3000117.2
49Q39.3Very low44.4Very low170 Ų170131.3 Ų131.379%0.79476%0.755SS**  cis-162.6156.9-22.7-134163.10.100111.9
50T37.9Very low43.7Very low121 Ų121129.3 Ų129.374%0.74276%0.757SS**  trans-90.2173.8168.757.90000110.4
51P46.2Very low44Very low104 Ų104125.7 Ų125.768%0.67575%0.745SS**  cis-12117849.77.120.2000114.3
52T45.2Very low44.2Very low115 Ų115129.5 Ų129.571%0.70675%0.747SS**  67.9154.350.4-16.10000111.8
53E45.1Very low44.4Very low171 Ų171132.1 Ų132.180%0.79975%0.75SS**  cis-157.7167.918.4-3.6-139.977.800108
54D46.4Very low44.5Very low165 Ų165129.8 Ų129.888%0.88275%0.747SS**  cis-165.5176.6-5.6-175.830.3000109.9
55G42.8Very low44.3Very low54 Ų54129.7 Ų129.756%0.55775%0.754SS**  trans122.3108.2164.400000115.4
56S48.6Very low44.7Very low112 Ų112127.5 Ų127.578%0.78376%0.762SS**  84.7139.853.683.50000113.2
57E46.7Very low44.4Very low188 Ų188131.6 Ų131.688%0.87977%0.766SS**  cis-140.6171.715.3-65.7177.9115.100113.8
58E43Very low44.2Very low183 Ų183132 Ų13286%0.85577%0.772SS**  trans-103.2-159.6168-106.3-137.3149.100109.8
59P48.1Very low44.2Very low113 Ų113131.3 Ų131.373%0.73477%0.773SS**  cis-134-179-12.722.72.5000115.8
60G39.4Very low44.7Very low75 Ų75128.5 Ų128.577%0.77377%0.769SS**  trans97.9160.7144.400000119.2
61S51Low44.7Very low88 Ų88128.5 Ų128.562%0.61577%0.77SS**  cis-161.3159.7-12.7690000112.2
62E46.7Very low45.1Very low169 Ų169128.4 Ų128.479%0.7978%0.778SS**  trans60.2174151.1-67.9160.6119.400118
63T44.7Very low44.7Very low122 Ų122131.8 Ų131.875%0.74879%0.786SS**  cis-155.1161.6-31.828.70000107
64S49Very low44.9Very low107 Ų107128.6 Ų128.675%0.74879%0.788SS**  cis-161.6-166.3-10.755.30000110
65D41.1Very low44.8Very low157 Ų157130 Ų13084%0.8479%0.789SS**  trans-61.4156.5-175.2-54.5-113.3000118.8
66A46Very low44.9Very low107 Ų107136.9 Ų136.988%0.88481%0.807SS**  trans-154.6140.7137.800000112.2
67K39.7Very low44.4Very low195 Ų195136.2 Ų136.285%0.84881%0.809SS**  trans-142.7136.3-178.2165.5-172.4173.8-176.80110.1
68S41Very low44.1Very low118 Ų118130.3 Ų130.383%0.82580%0.798SS**  trans-172.5132.4149-850000115.4
69T41.1Very low44.2Very low124 Ų124130 Ų13076%0.76180%0.8SS**  trans-97.9178149.648.10000107.7
70P49.8Very low43.8Very low110 Ų110127.6 Ų127.671%0.71480%0.797SS**  cis-149.9-173.122.845.9-24.3000118.5
71T36.7Very low43.9Very low122 Ų122131.6 Ų131.675%0.74880%0.8SS**  trans30.7133.1147.1-49.50000123E73T71-E73 HydrophobicContact CG2-CG 4.41Å
72A54.5Low43.6Very low102 Ų102133.8 Ų133.884%0.84381%0.81SS**  trans-143.7153.8143.300000110.1
73E37.5Very low43.7Very low186 Ų186131 Ų13187%0.86981%0.807SS**  trans-118.4152.7-178.3-59.7178.6144.600111.3T71T71-E73 HydrophobicContact CG2-CG 4.41Å
74A49.7Very low43.5Very low103 Ų103130.6 Ų130.685%0.85181%0.809SS**  trans-162.7144.1159.900000111
75E43.3Very low43.7Very low194 Ų194131.6 Ų131.691%0.90781%0.805SS**  trans-94161.5170-55.6-171.4141.200111.1
76E44.9Very low44.2Very low199 Ų199131.6 Ų131.693%0.9380%0.8SS**  -163.5169.6107.6-156.8163.2151.500109.4
77A39.2Very low44.3Very low99 Ų99133.5 Ų133.582%0.81880%0.795SS**  trans-114.5167.2-168.500000113.9
78G38.8Very low45.3Very low64 Ų64132.9 Ų132.966%0.6680%0.795SS**  trans152.8109.7157.700000117.2
79I46.3Very low45.5Very low175 Ų175131.4 Ų131.490%0.89779%0.79SS**  40.7129128.3-49.8147.5000117.8
80G39.8Very low46.1Very low64 Ų64130.4 Ų130.466%0.6680%0.795SS**  cis163.9-176.33.700000112.3
81D41Very low45.7Very low159 Ų159129 Ų12985%0.8580%0.8SS**  trans53.8107.2160.3-55.6-25.1000121.7
82T44Very low46.3Very low133 Ų133130.7 Ų130.782%0.81680%0.799SS**  trans-68157.9150.759.90000111
83P49.6Very low45.9Very low112 Ų112132.1 Ų132.173%0.72780%0.797SS**  -156.4145.397.537.4-19.1000117.9
84S40.6Very low46.8Very low112 Ų112128.6 Ų128.678%0.78379%0.789SS**  trans58.8179.8146-124.20000117
85L53.1Low46.5Very low128 Ų128132.4 Ų132.467%0.6779%0.789SS**  cis-137.5-175.717.7-69.4162.8000112.2
86E50.7Low46.6Very low158 Ų158128.4 Ų128.474%0.73879%0.789SS**  trans20.6120158.757.9-118.4156.400120.6
87D49.7Very low46.5Very low147 Ų147129.5 Ų129.579%0.78679%0.785SS**  74.6114.752.9-164.330.3000114.1
88E60.7Low47Very low181 Ų181134.1 Ų134.185%0.84679%0.792SS**  trans-164.5142.1156-108.6-52.8162.500109.8
89A43.5Very low47.3Very low87 Ų87136.6 Ų136.672%0.71979%0.794SS**  trans-148.282-164.100000114.9
90A54Low47.7Very low104 Ų104133.9 Ų133.986%0.8679%0.79SS**  trans-149.2151.9162.200000110.4
91G42.4Very low48.2Very low80 Ų80139.6 Ų139.683%0.82580%0.797SS**  cis138.589.81.700000110.5
92H49.9Very low48.4Very low157 Ų157136.7 Ų136.773%0.72779%0.789SS**  trans-140.6114.8-179.8-173.2-116.1000112.5T94H92-T94 PolarHBondContact CE1-OG1 3.3Å
93V46.1Very low48.9Very low132 Ų132140.1 Ų140.180%0.879%0.792SS**  trans-110.3124.7169.2170.50000108
94T55.9Low48.7Very low113 Ų113142.1 Ų142.169%0.69380%0.797SS**  trans-122.3130.5168.69.80000109.9H92H92-T94 PolarHBondContact CE1-OG1 3.3Å
95Q42.5Very low49Very low183 Ų183140.5 Ų140.586%0.85580%0.798SS**  trans-92.6140.8178.5-57.6178.623.900110.3
96A45.3Very low48.6Very low110 Ų110141.9 Ų141.991%0.90981%0.812SS**  trans-133.6124.9160.900000109.1
97R43Very low48.2Very low222 Ų222138 Ų13884%0.83881%0.814SS**  trans-116.4125-167.9168.1-169.4176.9-167.42.2109.9V99R97-V99 HydrophobicContact CG-CG2 4.33Å
98M49.7Very low48.2Very low196 Ų196135.9 Ų135.997%0.96681%0.811SS**  trans-136.1156.5159.8-73.4-151.6-17500110.9
99V45.8Very low47.8Very low116 Ų116133.5 Ų133.570%0.70380%0.804SS**  trans-138.7122.2-161.4175.40000111.1R97R97-V99 HydrophobicContact CG-CG2 4.33Å
100S53.8Low48.1Very low118 Ų118135 Ų13583%0.82580%0.8SS**  trans-170.4147.5153.351.70000109.4
101K51.2Low48.1Very low184 Ų184138.4 Ų138.480%0.880%0.795SS**  cis-179.8114.9-40.8159.9166.2176.4178.50104.2
102S44.8Very low47.8Very low98 Ų98144 Ų14469%0.68580%0.797SS**  trans49.3123.6163.262.80000120.1
103K55.2Low47.5Very low204 Ų204141 Ų14189%0.88780%0.799SS**  -157.214893.8-162.5159.5-175.9174.30111.8
104D44.2Very low47.2Very low155 Ų155144.8 Ų144.883%0.82981%0.805SS**  trans-78.3152.8-172.3-47.3-94.9000113.5
105G47.7Very low46.3Very low78 Ų78142.8 Ų142.880%0.80481%0.807SS**  trans-177.682179.300000112.7
106T44Very low46.6Very low157 Ų157138.2 Ų138.296%0.96380%0.8SS**  trans-69.5130.6-176.2-45.20000112.7
107G43.8Very low46.5Very low75 Ų75140.9 Ų140.977%0.77380%0.799SS**  trans-173.2135.7171.700000110
108S49.2Very low46.5Very low103 Ų103133.8 Ų133.872%0.7280%0.795SS**  trans-122.6153-159.6-148.30000114.8
109D52.9Low46.2Very low132 Ų132133.7 Ų133.771%0.70679%0.789SS**  trans77143.7152.1-63.1-56.7000123.7
110D49.6Very low45.9Very low118 Ų118134 Ų13463%0.63179%0.792SS**  trans43.1110.9162.4-67.4-40.4000122
111K52.7Low45.5Very low176 Ų176137.4 Ų137.477%0.76579%0.792SS**  78.4102.663.9-70.7-169.4-151.788.40115.3
112K37Very low45Very low196 Ų196136.6 Ų136.685%0.85279%0.794SS**  63.192.7122.1-165.4177.1-179.1176.50119.2
113A43.3Very low45Very low94 Ų94135.3 Ų135.378%0.77779%0.79SS**  trans14.7140131.500000121.1
114K40.3Very low44.7Very low213 Ų213132.3 Ų132.393%0.92679%0.789SS**  -179137.1109.1-179.1169-179.2178.10114.1
115G36.5Very low45Very low71 Ų71130.8 Ų130.873%0.73279%0.787SS**  trans101.4163154.900000117.1
116A48Very low44.8Very low86 Ų86138.7 Ų138.771%0.71179%0.793SS**  cis-170.3149.3-19.100000111
117D43.2Very low44.6Very low167 Ų167134.8 Ų134.889%0.89378%0.783SS**  trans58.5114.5150.1-52.3-28.3000123.4
118G42.6Very low44.5Very low73 Ų73136.4 Ų136.475%0.75379%0.79SS**  trans172.8147.7151.300000112.7
119K43.7Very low44.1Very low193 Ų193135.8 Ų135.884%0.83979%0.791SS**  cis-171.2175-11.7-147.2169.6-171.2167.10109.3
120T40.5Very low43.8Very low123 Ų123135.3 Ų135.376%0.75580%0.795SS**  trans78.1153.1164.383.10000117.2
121K44.7Very low43.8Very low190 Ų190135.5 Ų135.583%0.82680%0.803SS**  cis-164.9-173.2-20.3-114.1-171.2178.6-175.20109.9
122I42.1Very low43.1Very low166 Ų166130.6 Ų130.685%0.85180%0.802SS**  trans95.9133.4161.6-55.2170.9000114.7
123A44.5Very low43.7Very low72 Ų72129.4 Ų129.460%0.59580%0.799SS**  cis-165.1154.9-26.500000113.2
124T49Very low43.4Very low140 Ų140134.1 Ų134.186%0.85980%0.802SS**  trans68.7155.815039.30000121.6
125P50.9Low43.3Very low124 Ų124127.6 Ų127.681%0.80580%0.795SS**  trans-133.6-165-156.343.8-25.3000114.5
126R42.3Very low43.8Very low244 Ų244133 Ų13392%0.92180%0.802SS**  160.1126129.1-178.8176.8-162.6158.62115.7
127G39.9Very low43.5Very low74 Ų74133.2 Ų133.276%0.76380%0.804SS**  trans82.8153.2153.600000117.7
128A42.7Very low43.3Very low109 Ų109132.9 Ų132.990%0.90180%0.801SS**  cis-155.4178.3-9.800000110.8
129A39.5Very low43.1Very low91 Ų91133.5 Ų133.575%0.75280%0.8SS**  trans-137.6-167-178.400000109.3
130P46.2Very low43.3Very low122 Ų122131.5 Ų131.579%0.79280%0.804SS**  cis-128.3-107.5-5.723.54.7000116.5
131P49.5Very low43.5Very low122 Ų122136.8 Ų136.879%0.79281%0.81SS**  -132.8166.4-122.742.6-24.1000119.3
132G39.3Very low43.5Very low72 Ų72135.2 Ų135.274%0.74281%0.809SS**  trans146.8158.6167.100000112.8
133Q48.9Very low43.5Very low172 Ų172132.9 Ų132.980%0.80480%0.804SS**  cis-147.4179.7-3.8-64.4-167.410.400111.7
134K37.4Very low43Very low192 Ų192133.6 Ų133.684%0.83581%0.811SS**  trans-17.2150.9158.3-51158.7-173.9169.90116.1
135G38Very low42.6Very low76 Ų76137.3 Ų137.378%0.78482%0.815SS**  cis179.7-151.27.900000107.9
136Q47.8Very low42.3Very low186 Ų186137.2 Ų137.287%0.86981%0.812SS**  cis-168.1140.8-9.5-170.9175-2.900108.3
137A40.4Very low42.9Very low90 Ų90131 Ų13174%0.74480%0.804SS**  trans64.1168.5172.900000116.3
138N39.1Very low43.3Very low159 Ų159133.5 Ų133.585%0.8581%0.806SS**  cis-142.7160.2-0.8-149.3-10.6000111.8
139A39.7Very low43.2Very low87 Ų87132.7 Ų132.772%0.71980%0.799SS**  trans-108.3131.3-177.300000112.7
140T47.5Very low43.3Very low151 Ų151133.5 Ų133.593%0.92680%0.797SS**  trans-95.4103.3175.1-55.70000110.7
141R44.1Very low42.9Very low234 Ų234136.9 Ų136.988%0.88380%0.8SS**  trans-88.5153.9172.3-118.2-175.2-176.8-150.53111.5
142I44.5Very low42.4Very low157 Ų157137.8 Ų137.881%0.80580%0.803SS**  trans-62.4138.4175.5-56.7154.7000111.3
143P41.4Very low42.5Very low116 Ų116140 Ų14075%0.75380%0.804SS**  trans-106.5117152.333.7-24.3000111.1
144A35.1Very low42.1Very low88 Ų88137.7 Ų137.773%0.72780%0.804SS**  trans-77.9142.5172.400000111.1
145K40.5Very low42.2Very low217 Ų217134.2 Ų134.294%0.94380%0.804SS**  trans-96.497171.3-81.3-168.4173.9-176.40111.3
146T43.7Very low42.2Very low122 Ų122136.1 Ų136.175%0.74881%0.805SS**PPolyproline II helixtrans-82.3135.7165.7-46.20000109.7
147P55.9Low41.7Very low115 Ų115130.6 Ų130.675%0.74780%0.798SS**PPolyproline II helixtrans-79.8135.2173.431.4-33.2000111.6
148P48.9Very low41.8Very low126 Ų126135.7 Ų135.782%0.81881%0.806SS**PPolyproline II helixtrans-91.2131.8172.633.7-31.5000112.5
149A40Very low42Very low91 Ų91133.5 Ų133.575%0.75280%0.801SS**  trans-85.7-179.8150.100000108.7
150P40.9Very low42.1Very low109 Ų109135.1 Ų135.171%0.70880%0.804SS**  cis-141.6-155.47.236.4-12.1000114.7
151K38.1Very low41.7Very low193 Ų193138.1 Ų138.184%0.83980%0.804SS**  trans88.4109.2166.6-50.1170.7-174.1178.30115.1
152T39.9Very low41.4Very low140 Ų140132.7 Ų132.786%0.85980%0.802SS**  -152160.873.4320000114.9
153P40.4Very low41Very low120 Ų120128.9 Ų128.978%0.77980%0.801SS**  trans-121.4-164.6178.141.3-26.2000113.1
154P41.7Very low40.8Very low122 Ų122130.9 Ų130.979%0.79281%0.806SS**  -126.1165.4-58.836.9-22.4000113
155S37.9Very low41Very low120 Ų120138 Ų13884%0.83981%0.814SS**  trans-159.6169.3161.9-158.90000113.8
156S39.6Very low41Very low116 Ų116133.6 Ų133.681%0.81181%0.81SS**  trans-63.2163.4-176.853.80000115.3
157G37.7Very low40.8Very low69 Ų69131.2 Ų131.271%0.71181%0.81SS**  cis177.1-171.92.400000113
158E40.7Very low40.3Very low197 Ų197135.6 Ų135.692%0.92181%0.813SS**  trans-76.3142.2-171.4-66.8165.488.500115.4
159P43.1Very low40.2Very low114 Ų114134.6 Ų134.674%0.7481%0.809SS**  trans-85.3170.9149.138.2-33.3000110.5
160P42.7Very low40.3Very low121 Ų121135 Ų13579%0.78681%0.806SS**  cis-129.1173.97.541.5-27.4000114.6
161K38.7Very low40.8Very low214 Ų214136 Ų13693%0.9381%0.813SS**  trans-148.5143.9148.9-117.2163.1-171.61700111.6
162S37.3Very low40.8Very low120 Ų120130.4 Ų130.484%0.83981%0.81SS**  trans-105.9151.8-170.254.50000112.6
163G37.4Very low41Very low76 Ų76129.5 Ų129.578%0.78481%0.809SS**  trans11897.5152.800000114.5
164D37.1Very low41.4Very low158 Ų158130 Ų13085%0.84581%0.812SS**  trans-158.1157.3158.9-133.9-34.8000111
165R39.1Very low41.2Very low239 Ų239127.9 Ų127.990%0.90281%0.813SS**  trans70.3137.9-167.3-51.8174.4173.9-176.5-3.7113.9
166S40.8Very low42Very low124 Ų124128.8 Ų128.887%0.86781%0.814SS**  cis-157.2161.1-1.146.60000109.5
167G39.4Very low42.3Very low72 Ų72129.8 Ų129.874%0.74282%0.817SS**  cis166.4179.5-3.400000112.3
168Y45.4Very low42.5Very low207 Ų207129.9 Ų129.981%0.81282%0.819SS**  trans59.7112.1166.3-166.2-92.6000120.3
169S46.8Very low42.9Very low105 Ų105125.7 Ų125.773%0.73481%0.811SS**  -172.1126.8121-107.70000111.2
170S42.5Very low43.1Very low98 Ų98131.5 Ų131.569%0.68582%0.818SS**  trans-125.7-167.9178.7-460000108.7
171P50.8Low43.5Very low131 Ų131130.9 Ų130.985%0.85182%0.817SS**  cis-133.7-176.2-12.541.5-24.7000114.3
172G38Very low43.9Very low75 Ų75132.1 Ų132.177%0.77382%0.815SS**  trans150.7111.415400000118.7
173S44.8Very low44.3Very low121 Ų121133.1 Ų133.185%0.84682%0.816SS**  trans-136.7158.9164.6-43.70000107.5
174P48.5Very low44.7Very low130 Ų130135 Ų13584%0.84482%0.815SS**  -159.3176.771.142.4-21.5000118.3
175G38.1Very low45.1Very low78 Ų78132.7 Ų132.780%0.80481%0.811SS**  trans102.7118.513400000120.5
176T53.4Low45.6Very low140 Ų140129.4 Ų129.486%0.85981%0.811SS**  trans-117.4149.8160.555.30000110.4
177P46.1Very low45.8Very low136 Ų136128.8 Ų128.888%0.88380%0.804SS**  -149.4174.8120.738.6-23.8000114
178G42.6Very low46.3Very low72 Ų72132 Ų13274%0.74281%0.809SS**  trans152.945158.700000122.8
179S47.5Very low46.9Very low108 Ų108127.8 Ų127.876%0.75581%0.807SS**  trans32.5134141.6-700000124
180R48.3Very low47.2Very low237 Ų237128 Ų12889%0.89481%0.806SS**  trans77.3149149.3-64.7167-178.9-173.1-0.5117.3
181S51.9Low47.2Very low108 Ų108129.7 Ų129.776%0.75581%0.812SS**  cis-152.4170.4-6.9-120.70000113.5
182R46Very low47.3Very low239 Ų239134.7 Ų134.790%0.90281%0.814SS**  trans-84.2142.2-169.3-44162.1-162.7161.33.8113.1
183T45.2Very low48.2Very low141 Ų141138.2 Ų138.287%0.86581%0.811SS**  trans-145.8135.5152.244.10000110.1
184P47.6Very low48.4Very low115 Ų115138.4 Ų138.475%0.74781%0.809SS**  trans-108.8144-179.737.7-31.3000114.8
185S43.7Very low48.5Very low111 Ų111141.8 Ų141.878%0.77681%0.81SS**  trans39121.7149.461.70000121.8
186L49.8Very low49.1Very low170 Ų170148.1 Ų148.189%0.8982%0.815SS**  trans-146.2138.7146.7-146.675.7000110.2
187P45.5Very low49.1Very low110 Ų110148.1 Ų148.171%0.71482%0.815SS**  trans-114.1136.4-173.338.1-30000115.5
188T50Low49.6Very low141 Ų141145.4 Ų145.487%0.86580%0.804SS**  trans174.7168.1161.2130000109.7
189P57Low50.4Low117 Ų117148 Ų14876%0.7681%0.805SS**  cis-121-176.6-23.238.5-22.5000112.1
190P53.8Low51Low110 Ų110148.6 Ų148.671%0.71480%0.804SS**  trans-111.8168.4-165.241.3-35.1000117.7
191T43.4Very low51.6Low133 Ų133147.8 Ų147.882%0.81680%0.801SS**  trans61.9124.2154.349.70000122.7
192R52.4Low52.4Low237 Ų237148.2 Ų148.289%0.89480%0.799SS**  -148154.4118.6-114.9-177.5-177.4-120.7-3.5111.4
193E56.4Low53.7Low149 Ų149141.9 Ų141.970%0.69679%0.789SS**  trans-89158.2-160.462.2-101.972.700116.7
194P49.4Very low55Low124 Ų124141.3 Ų141.381%0.80579%0.788SS**  trans-92.1146.6-165.735.4-35.3000114.5
195K49.9Very low56.2Low201 Ų201145.3 Ų145.387%0.87479%0.793SS**  trans-136113.6168.1-74.9-174.7178.2172.10113.7
196K52.2Low57.7Low211 Ų211145.1 Ų145.192%0.91779%0.792SS**  trans57.1106.7160.7-65.9-170174.2-176.20118.6
197V52.1Low59Low141 Ų141143 Ų14386%0.85579%0.788SS**  trans-58.9130162.6179.90000110.6
198A56.8Low60.1Low79 Ų79143.7 Ų143.765%0.65380%0.796SS**  trans-88.4135.2167.500000110.4V200A198-V200 PolarHBondContact O-N 3.35Å
199V59.6Low61Low125 Ų125141.9 Ų141.976%0.75879%0.789SS**  trans-77.792.2-179.6-178.90000110R201V199-R201 PolarHBondContact O-N 3.14Å; V199-R201 VanDerWaalsContact O-N 3.11Å
200V60.9Low61.4Low121 Ų121140.7 Ų140.773%0.73379%0.789SS**  trans-71.1101.8173.8-1790000109.4A198 T202A198-V200 PolarHBondContact O-N 3.35Å; V200-T202 HydrophobicContact CG1-CG2 4.4Å; V200-T202 PolarHBondContact O-N 3.44Å
201R60.7Low61.8Low221 Ų221145.5 Ų145.583%0.83480%0.799SS**  trans-77.3106164.4-77.2-175.4163.896.5-3.3108.9V199V199-R201 PolarHBondContact O-N 3.14Å; V199-R201 VanDerWaalsContact O-N 3.11Å
202T68.2Low62.8Low117 Ų117144.4 Ų144.472%0.71880%0.796SS**  trans-70.4134.2171.142.10000110.3V200V200-T202 HydrophobicContact CG1-CG2 4.4Å; V200-T202 PolarHBondContact O-N 3.44Å
203P72.2Confident63.4Low105 Ų105143.9 Ų143.968%0.68279%0.794SS**  trans-68.6138175.127.8-33.5000110.1K205P203-K205 PolarHBondContact O-N 3.02Å
204P74.1Confident63.7Low129 Ų129144.8 Ų144.884%0.83880%0.803SS**  trans-69.3114.3-175.527.3-34.1000111.1
205K71.4Confident64.7Low199 Ų199147.8 Ų147.887%0.86581%0.806SS**  trans-95.3101.1168.3-73.7-175.2175.6-179.20109.6P203P203-K205 PolarHBondContact O-N 3.02Å
206S76.1Confident65.5Low107 Ų107144.7 Ų144.775%0.74880%0.804SS**PPolyproline II helixtrans-64.9143.3169.2-520000110.7
207P76.3Confident66.4Low126 Ų126138.9 Ų138.982%0.81880%0.796SS**PPolyproline II helixtrans-65.4138.2171.527.9-33.8000110.5S209P207-S209 PolarHBondContact O-N 2.73Å
208S68.4Low67.3Low125 Ų125138.4 Ų138.487%0.87480%0.796SS**PPolyproline II helixtrans-69127.2177.1-170.50000110.6A210S208-A210 PolarHBondContact O-N 3.17Å
209S70.7Confident68.2Low102 Ų102140 Ų14071%0.71380%0.797SS**  trans-82.8112.6-176.6-174.80000111.4P207 K211P207-S209 PolarHBondContact O-N 2.73Å; S209-K211 PolarHBondContact O-N 3.22Å
210A64.6Low69.2Low92 Ų92139.5 Ų139.576%0.7680%0.796SS**  trans-69.9114.7171.900000110.4S208 S212S208-A210 PolarHBondContact O-N 3.17Å; A210-S212 VanDerWaalsContact C-N 3.32Å; A210-S212 PolarHBondContact O-N 3.42Å
211K61.7Low70.1Confident212 Ų212142.1 Ų142.192%0.92280%0.803SS**  trans-78.674.9-178.4-66.1177.2-177.4173.10111.8S209S209-K211 PolarHBondContact O-N 3.22Å
212S64.8Low71.1Confident109 Ų109136.7 Ų136.776%0.76280%0.796SS**  trans-119118.3164.9-170.90000110A210A210-S212 VanDerWaalsContact C-N 3.32Å; A210-S212 PolarHBondContact O-N 3.42Å
213R65Low71.9Confident226 Ų226135.9 Ų135.985%0.85379%0.787SS**  trans-91.5108177.1176.5178.8-77.2173.7-5.1108.7Q215R213-Q215 PolarHBondContact O-N 3.33Å
214L62.8Low72.5Confident168 Ų168136.8 Ų136.888%0.8879%0.786SS**PPolyproline II helixtrans-52.6125.1164.5-81158.2000109.4
215Q69.4Low72.9Confident187 Ų187138.6 Ų138.687%0.87478%0.78SS**PPolyproline II helixtrans-88126.9173.8-65.9-177.8-6.300108.9R213R213-Q215 PolarHBondContact O-N 3.33Å
216T68.5Low73.4Confident136 Ų136135.7 Ų135.783%0.83477%0.774SS**PPolyproline II helixtrans-76.6144.9169.826.70000110.6
217A69.8Low73.8Confident90 Ų90136.1 Ų136.174%0.74477%0.772SS**PPolyproline II helixtrans-61.9136.1177.800000111V219A217-V219 PolarHBondContact O-N 2.97Å
218P72.1Confident74Confident130 Ų130139.1 Ų139.184%0.84477%0.773SS**SBendtrans-80.8-3.5-163.629.6-35.7000115.9
219V74.7Confident74.7Confident113 Ų113137 Ų13769%0.68576%0.757SS**SBendtrans-143133.4-176.1-157.10000110.8A217A217-V219 PolarHBondContact O-N 2.97Å
220P81.5Confident75.3Confident114 Ų114142.2 Ų142.274%0.7477%0.767SS**PPolyproline II helixtrans-69.3147.4166.530.3-34.6000110.9
221M79.4Confident76Confident177 Ų177143.5 Ų143.587%0.87276%0.76SS**PPolyproline II helixtrans-63.1127.9176.5-179.9167.155.200110.4
222P82.3Confident76.6Confident106 Ų106135 Ų13569%0.68873%0.732SS**PPolyproline II helixtrans-65.6139.7-17626.3-34.9000111.5
223D83.4Confident76.6Confident100 Ų100134 Ų13454%0.53573%0.725SS.*PPolyproline II helixtrans-90.8136.4-174.7-170.152.3000113.6K225D223-K225 VanDerWaalsContact OD1-CD 3.31Å; D223-K225 WeakPolarHBondContact OD1-CD 3.46Å; D223-K225 WeakPolarHBondContact OD1-CE 3.38Å; D223-K225 WeakPolarHBondContact OD1-CG 3.15Å; D223-K225 IonicContact OD1-NZ 3.03Å; D223-K225 PolarHBondContact OD1-NZ 2.84Å; D223-K225 WeakPolarHBondContact OD2-CG 3.47Å
224L84.9Confident77.2Confident125 Ų125127.5 Ų127.565%0.65471%0.711SS**  trans-12915.6-171.4-63.3176.4000113.1N226 V227L224-N226 PolarHBondContact O-N 2.84Å; L224-V227 HydrophobicContact CB-CG2 4.28Å; L224-V227 HydrophobicContact CD2-CG2 4.3Å; L224-V227 PolarHBondContact O-N 3.46Å
225K83.8Confident78Confident166 Ų166126.3 Ų126.372%0.72270%0.701SS**THydrogen-bonded Turntrans-60.5-22.5-171.7-57-31.8-180-124.80114.4D223D223-K225 VanDerWaalsContact OD1-CD 3.31Å; D223-K225 WeakPolarHBondContact OD1-CD 3.46Å; D223-K225 WeakPolarHBondContact OD1-CE 3.38Å; D223-K225 WeakPolarHBondContact OD1-CG 3.15Å; D223-K225 IonicContact OD1-NZ 3.03Å; D223-K225 PolarHBondContact OD1-NZ 2.84Å; D223-K225 WeakPolarHBondContact OD2-CG 3.47Å
226N82.2Confident78.5Confident138 Ų138121.7 Ų121.774%0.73868%0.682SS**THydrogen-bonded Turntrans-108.415.9-169-64.7-54.2000114.7L224 K228L224-N226 PolarHBondContact O-N 2.84Å; N226-K228 PolarHBondContact O-N 3.21Å; N226-K228 VanDerWaalsContact O-N 3.14Å
227V83.7Confident79.2Confident116 Ų116121.9 Ų121.970%0.70368%0.677SS**  trans-68.1108.61751790000109.9L224L224-V227 HydrophobicContact CB-CG2 4.28Å; L224-V227 HydrophobicContact CD2-CG2 4.3Å; L224-V227 PolarHBondContact O-N 3.46Å
228K81.3Confident79.9Confident190 Ų190127.3 Ų127.383%0.82668%0.684SS**  trans-97.4154.2177.7-72.8-177.1-71.9-175.60111.9N226N226-K228 PolarHBondContact O-N 3.21Å; N226-K228 VanDerWaalsContact O-N 3.14Å
229S82.3Confident80.5Confident79 Ų79127 Ų12755%0.55267%0.671SS**  trans-67.6132.2-178.152.40000112.9I231S229-I231 PolarHBondContact O-N 3.29Å
230K83Confident80.9Confident212 Ų212129.4 Ų129.492%0.92268%0.675SS**SBendtrans-75.16.1174.667.8176.1-179.9177.60115.4
231I78.9Confident81Confident120 Ų120128 Ų12862%0.61567%0.666SS**SBendtrans-113.7125.4-179.3-66.6173.9000107.5S229 S233S229-I231 PolarHBondContact O-N 3.29Å; I231-S233 PolarHBondContact O-N 2.93Å
232G74.9Confident81.3Confident32 Ų32123.4 Ų123.433%0.3366%0.664SS.*G310 helixtrans-676.4-173.600000116.3T234 E235G232-T234 PolarHBondContact O-N 3.36Å; G232-E235 WeakPolarHBondContact O-CB 3.33Å; G232-E235 WeakPolarHBondContact O-CG 3.31Å; G232-E235 PolarHBondContact O-N 3.48Å; G232-E235 VanDerWaalsContact O-OE1 3.11Å
233S64.1Low81.5Confident89 Ų89122 Ų12262%0.62267%0.669SS**G310 helixtrans-59.5-9.4-176.2-167.20000114.9I231I231-S233 PolarHBondContact O-N 2.93Å
234T77.5Confident81.5Confident89 Ų89120.7 Ų120.755%0.54668%0.678SS.*G310 helixtrans-84.3-17.6171.550.20000114.2G232 L237G232-T234 PolarHBondContact O-N 3.36Å; T234-L237 WeakPolarHBondContact O-CD1 3.48Å; T234-L237 VanDerWaalsContact O-CG 3.31Å; T234-L237 WeakPolarHBondContact O-CG 3.1Å
235E80.1Confident81.5Confident144 Ų144125 Ų12567%0.67369%0.692SS**G310 helixtrans-74.8-33.6179.880-147.8148.900111.9G232 L237G232-E235 WeakPolarHBondContact O-CB 3.33Å; G232-E235 WeakPolarHBondContact O-CG 3.31Å; G232-E235 PolarHBondContact O-N 3.48Å; G232-E235 VanDerWaalsContact O-OE1 3.11Å; E235-L237 VanDerWaalsContact C-N 3.3Å; E235-L237 PolarHBondContact O-N 3.04Å
236N81.3Confident81.4Confident90 Ų90123.6 Ų123.648%0.48170%0.697SS.*G310 helixtrans-84.55.5-177.1-73.9-70.2000113.9K238 H239N236-K238 PolarHBondContact O-N 2.83Å; N236-H239 HydrophobicContact CB-CB 4.3Å; N236-H239 WeakPolarHBondContact O-CB 3.39Å; N236-H239 PolarHBondContact O-N 3.06Å
237L81.6Confident81.5Confident140 Ų140124.9 Ų124.973%0.73370%0.699SS**G310 helixtrans-61-15.4-179.1-69.2174000114.7T234 E235T234-L237 WeakPolarHBondContact O-CD1 3.48Å; T234-L237 VanDerWaalsContact O-CG 3.31Å; T234-L237 WeakPolarHBondContact O-CG 3.1Å; E235-L237 VanDerWaalsContact C-N 3.3Å; E235-L237 PolarHBondContact O-N 3.04Å
238K85.2Confident81.5Confident203 Ų203126 Ų12688%0.88370%0.699SS**G310 helixtrans-109.10.5174-62.4-177.7-178.61790113.3N236 Q240N236-K238 PolarHBondContact O-N 2.83Å; K238-Q240 PolarHBondContact O-N 2.9Å
239H84.3Confident81.7Confident125 Ų125122.7 Ų122.758%0.57969%0.689SS**  trans-80.885.9178.3-173.286.5000110.1N236 P241N236-H239 HydrophobicContact CB-CB 4.3Å; N236-H239 WeakPolarHBondContact O-CB 3.39Å; N236-H239 PolarHBondContact O-N 3.06Å; H239-P241 WeakPolarHBondContact O-CD 3.42Å
240Q83.6Confident81.7Confident163 Ų163125.6 Ų125.676%0.76270%0.699SS**  trans-73.1118.4158.5-175.562.945.200107.5K238 G242K238-Q240 PolarHBondContact O-N 2.9Å; Q240-G242 PolarHBondContact O-N 3.02Å
241P83.5Confident81.8Confident84 Ų84124.3 Ų124.355%0.54569%0.693SS.*  trans-59.5129.6178.122.7-33.7000110.6H239 G243H239-P241 WeakPolarHBondContact O-CD 3.42Å; P241-G243 PolarHBondContact O-N 3.11Å
242G85.7Confident82.1Confident80 Ų80128.2 Ų128.283%0.82571%0.706SS**  trans-68.5111.8-17400000112.4Q240Q240-G242 PolarHBondContact O-N 3.02Å
243G85.3Confident82.5Confident77 Ų77133.8 Ų133.879%0.79473%0.727SS**  trans-75.6124.2173.600000112.2P241P241-G243 PolarHBondContact O-N 3.11Å
244G84.9Confident83.5Confident72 Ų72134.9 Ų134.974%0.74273%0.726SS**  trans-81.7136.517200000112.4
245K83.4Confident83.9Confident215 Ų215136.4 Ų136.494%0.93573%0.73SS**  trans-97.293.5169.8-70.5-175179.4-1800110.1
246V83.3Confident84.3Confident137 Ų137134.5 Ų134.583%0.8373%0.733SS**  trans-89.4115.8172-178.40000109
247Q84.5Confident84.6Confident165 Ų165137.1 Ų137.177%0.77175%0.747SS**  trans-106.8113.2172.7-175174.8500109.5I249Q247-I249 HydrophobicContact CG-CG1 4.29Å; Q247-I249 PolarHBondContact O-N 2.87Å
248I83.8Confident84.8Confident139 Ų139135.9 Ų135.971%0.71375%0.745SS**  trans-77.5114.4172-59.1175.4000107.6N250I248-N250 PolarHBondContact O-N 3.48Å
249I84.2Confident84.8Confident121 Ų121134.2 Ų134.262%0.62174%0.74SS**  trans-95.895.3-177.8-55.8170.4000109.1Q247 K251Q247-I249 HydrophobicContact CG-CG1 4.29Å; Q247-I249 PolarHBondContact O-N 2.87Å; I249-K251 VanDerWaalsContact C-N 3.28Å; I249-K251 HydrophobicContact CG2-CG 4.07Å; I249-K251 PolarHBondContact O-N 3.45Å
250N82.9Confident84.9Confident141 Ų141132.6 Ų132.675%0.75474%0.743SS**  trans-70.777.2175.4-69.774.8000112.3I248 K252I248-N250 PolarHBondContact O-N 3.48Å; N250-K252 PolarHBondContact O-N 3.42Å
251K85.7Confident85Confident184 Ų184135.5 Ų135.580%0.875%0.753SS**  trans-71.1106.5164-67.4-172.2178.4-178.80108.9I249I249-K251 VanDerWaalsContact C-N 3.28Å; I249-K251 HydrophobicContact CG2-CG 4.07Å; I249-K251 PolarHBondContact O-N 3.45Å
252K83.8Confident85Confident202 Ų202135.5 Ų135.588%0.87875%0.754SS**PPolyproline II helixtrans-66.4131.3168.9-65-179.2179.4-179.90108.5N250N250-K252 PolarHBondContact O-N 3.42Å
253L83.9Confident84.8Confident149 Ų149133.4 Ų133.478%0.7873%0.733SS**PPolyproline II helixtrans-73.7135168.1-62.8176000108.6L255L253-L255 HydrophobicContact CB-CD2 4.44Å; L253-L255 HydrophobicContact CB-CG 4.45Å
254D85.7Confident84.6Confident113 Ų113134.4 Ų134.460%0.60473%0.727SS**PPolyproline II helixtrans-79.5120167.5-178.921.2000109.3S256D254-S256 WeakPolarHBondContact OD1-CB 3.48Å; D254-S256 PolarHBondContact OD1-N 3.27Å; D254-S256 PolarHBondContact OD1-OG 2.94Å
255L85.7Confident84.5Confident120 Ų120138.6 Ų138.663%0.62873%0.725SS**  trans-116.99.7178.6-59.5176.3000111.7L253 N257 V258L253-L255 HydrophobicContact CB-CD2 4.44Å; L253-L255 HydrophobicContact CB-CG 4.45Å; L255-N257 PolarHBondContact O-N 3.21Å; L255-N257 VanDerWaalsContact O-N 3.12Å; L255-V258 HydrophobicContact CB-CG2 4.26Å; L255-V258 HydrophobicContact CD2-CG2 4.3Å; L255-V258 WeakPolarHBondContact O-CB 3.22Å; L255-V258 WeakPolarHBondContact O-CG2 3.26Å; L255-V258 PolarHBondContact O-N 2.83Å; L255-V258 VanDerWaalsContact O-N 3.12Å
256S88.1Confident84.6Confident104 Ų104135 Ų13573%0.72772%0.716SS**THydrogen-bonded Turntrans-60.6-26.5-173.4-52.20000113.4D254D254-S256 WeakPolarHBondContact OD1-CB 3.48Å; D254-S256 PolarHBondContact OD1-N 3.27Å; D254-S256 PolarHBondContact OD1-OG 2.94Å
257N86.9Confident84.5Confident145 Ų145133.6 Ų133.678%0.77570%0.704SS**THydrogen-bonded Turntrans-91.97-177.6-58.7-62.1000113.9L255 Q259L255-N257 PolarHBondContact O-N 3.21Å; L255-N257 VanDerWaalsContact O-N 3.12Å; N257-Q259 PolarHBondContact O-N 3.3Å
258V86.6Confident84.6Confident114 Ų114131.8 Ų131.869%0.69170%0.698SS**  trans-86.388.4-176.4-176.40000111.1L255L255-V258 HydrophobicContact CB-CG2 4.26Å; L255-V258 HydrophobicContact CD2-CG2 4.3Å; L255-V258 WeakPolarHBondContact O-CB 3.22Å; L255-V258 WeakPolarHBondContact O-CG2 3.26Å; L255-V258 PolarHBondContact O-N 2.83Å; L255-V258 VanDerWaalsContact O-N 3.12Å
259Q85.3Confident84.9Confident168 Ų168134.9 Ų134.979%0.78571%0.706SS**  trans-86.5148.9172.4-175.4171.2-20.300112.2N257N257-Q259 PolarHBondContact O-N 3.3Å
260S86.3Confident85.1Confident92 Ų92134.3 Ų134.364%0.64370%0.701SS**  trans-68.9128.2175.253.50000112.2C262S260-C262 PolarHBondContact O-N 2.56Å
261K86.1Confident85.1Confident223 Ų223133.6 Ų133.697%0.9770%0.701SS**SBendtrans-743.8174.7-62.6-173.8178.3-176.80114.6
262C81.9Confident85.1Confident85 Ų85129.3 Ų129.357%0.57469%0.692SS**  trans-92104.8176.5-175.30000109.4S260 S264S260-C262 PolarHBondContact O-N 2.56Å; C262-S264 PolarHBondContact O-N 3.02Å
263G82Confident85.2Confident36 Ų36123.6 Ų123.637%0.37169%0.691SS.*  trans-71.828.6-179.700000115.3K265 D266G263-K265 PolarHBondContact O-N 3.19Å; G263-D266 VanDerWaalsContact CA-CG 3.44Å; G263-D266 WeakPolarHBondContact CA-OD1 3.34Å; G263-D266 WeakPolarHBondContact CA-OD2 3.48Å; G263-D266 WeakPolarHBondContact O-CB 3.47Å; G263-D266 PolarHBondContact O-N 2.97Å
264S81.7Confident85.2Confident97 Ų97119.6 Ų119.668%0.67869%0.686SS**THydrogen-bonded Turntrans-65.1-9-176.760.40000114.2C262C262-S264 PolarHBondContact O-N 3.02Å
265K82.6Confident85Confident161 Ų161117.9 Ų117.970%0.770%0.695SS**THydrogen-bonded Turntrans-101.9-8.7176-62.8-165.9175.9179.90114G263 N267 I268G263-K265 PolarHBondContact O-N 3.19Å; K265-N267 VanDerWaalsContact C-N 3.28Å; K265-N267 PolarHBondContact O-N 3.14Å; K265-I268 HydrophobicContact CB-CD1 3.7Å; K265-I268 HydrophobicContact CB-CG1 4.48Å; K265-I268 HydrophobicContact CD-CD1 4.48Å; K265-I268 HydrophobicContact CG-CD1 3.96Å; K265-I268 WeakPolarHBondContact O-CD1 3.3Å; K265-I268 WeakPolarHBondContact O-CG1 3.34Å
266D85.9Confident84.8Confident139 Ų139118.2 Ų118.274%0.74371%0.707SS**THydrogen-bonded Turntrans-68.5-32.8-168.6-56.4-2.2000111G263G263-D266 VanDerWaalsContact CA-CG 3.44Å; G263-D266 WeakPolarHBondContact CA-OD1 3.34Å; G263-D266 WeakPolarHBondContact CA-OD2 3.48Å; G263-D266 WeakPolarHBondContact O-CB 3.47Å; G263-D266 PolarHBondContact O-N 2.97Å
267N82.1Confident84.6Confident108 Ų108119.5 Ų119.558%0.57871%0.71SS**THydrogen-bonded Turntrans-107.819.6-174.6-148.726.8000114.8K265 K269 H270K265-N267 VanDerWaalsContact C-N 3.28Å; K265-N267 PolarHBondContact O-N 3.14Å; N267-K269 PolarHBondContact O-N 3.5Å; N267-H270 VanDerWaalsContact CG-CB 3.43Å; N267-H270 WeakPolarHBondContact ND2-CB 3.41Å; N267-H270 WeakPolarHBondContact O-CB 3.39Å; N267-H270 PolarHBondContact O-N 3.35Å; N267-H270 WeakPolarHBondContact OD1-CB 3.29Å
268I85.8Confident84.5Confident127 Ų127120.8 Ų120.865%0.65171%0.712SS**THydrogen-bonded Turntrans-56.1-26.4-177.6-71.7168.6000113.4K265K265-I268 HydrophobicContact CB-CD1 3.7Å; K265-I268 HydrophobicContact CB-CG1 4.48Å; K265-I268 HydrophobicContact CD-CD1 4.48Å; K265-I268 HydrophobicContact CG-CD1 3.96Å; K265-I268 WeakPolarHBondContact O-CD1 3.3Å; K265-I268 WeakPolarHBondContact O-CG1 3.34Å
269K88.9Confident84.5Confident203 Ų203122.9 Ų122.988%0.88372%0.717SS**THydrogen-bonded Turntrans-85.4-8.7-178.5-62.7-179.2-178.8177.40114.2N267 V271N267-K269 PolarHBondContact O-N 3.5Å; K269-V271 PolarHBondContact O-N 3.18Å
270H88.9Confident84.6Confident109 Ų109120 Ų12051%0.50571%0.711SS.*  trans-81.9102-178.2168.7-84.2000110.5N267 P272N267-H270 VanDerWaalsContact CG-CB 3.43Å; N267-H270 WeakPolarHBondContact ND2-CB 3.41Å; N267-H270 WeakPolarHBondContact O-CB 3.39Å; N267-H270 PolarHBondContact O-N 3.35Å; N267-H270 WeakPolarHBondContact OD1-CB 3.29Å; H270-P272 WeakPolarHBondContact O-CD 3.49Å
271V83.8Confident84.6Confident126 Ų126124.7 Ų124.776%0.76472%0.716SS**PPolyproline II helixtrans-65.8119.4159.3-178.60000106.9K269 G273K269-V271 PolarHBondContact O-N 3.18Å; V271-G273 PolarHBondContact O-N 3.06Å
272P85.4Confident84.8Confident94 Ų94122.1 Ų122.161%0.6171%0.705SS**PPolyproline II helixtrans-64.5131.8177.527.3-33.6000110.1H270 G274H270-P272 WeakPolarHBondContact O-CD 3.49Å; P272-G274 PolarHBondContact O-N 3.26Å
273G86.2Confident85.1Confident82 Ų82122.7 Ų122.785%0.84571%0.707SS**PPolyproline II helixtrans-62.1117.7-179.400000111.9V271V271-G273 PolarHBondContact O-N 3.06Å
274G83.9Confident85.3Confident66 Ų66127 Ų12768%0.6873%0.726SS**PPolyproline II helixtrans-83.5143.5169.500000111.3P272 S276P272-G274 PolarHBondContact O-N 3.26Å; G274-S276 PolarHBondContact O-N 2.97Å; G274-S276 VanDerWaalsContact O-N 3.15Å
275G82Confident85.5Confident76 Ų76128 Ų12878%0.78472%0.724SS**  trans-76.596.2176.900000112.2V277G275-V277 PolarHBondContact O-N 3.49Å
276S80.2Confident85.6Confident128 Ų128126.1 Ų126.190%0.89572%0.721SS**  trans-69.792.5173.8-60.90000111.5G274G274-S276 PolarHBondContact O-N 2.97Å; G274-S276 VanDerWaalsContact O-N 3.15Å
277V85.1Confident85.5Confident130 Ų130123.4 Ų123.479%0.78871%0.713SS**  trans-99.1118.4173.1-177.90000109.6G275G275-V277 PolarHBondContact O-N 3.49Å
278Q84.5Confident85.4Confident173 Ų173127.3 Ų127.381%0.80872%0.724SS**  trans-84.4127.9175.4-168.9178.937.100110.5V280Q278-V280 PolarHBondContact O-N 2.82Å
279I85.3Confident85.2Confident157 Ų157126.7 Ų126.781%0.80573%0.727SS**  trans-81.8113.2172.3-59.6177.2000108.4Y281I279-Y281 PolarHBondContact O-N 3Å; I279-Y281 VanDerWaalsContact O-N 3.13Å
280V87.8Confident84.6Confident107 Ų107123 Ų12365%0.64872%0.721SS**  trans-79.894.2179.2-179.80000109.9Q278 K282Q278-V280 PolarHBondContact O-N 2.82Å; V280-K282 HydrophobicContact CG1-CG 4.23Å
281Y87.6Confident83.9Confident191 Ų191122.9 Ų122.975%0.74973%0.733SS**  trans-87.1125.9172.2-174.6-108.9000110.9I279 P283I279-Y281 PolarHBondContact O-N 3Å; I279-Y281 VanDerWaalsContact O-N 3.13Å; Y281-P283 HydrophobicContact CE1-CB 3.85Å; Y281-P283 HydrophobicContact CE1-CG 4.08Å
282K90.3Very high83.4Confident170 Ų170127.2 Ų127.274%0.73974%0.741SS**  trans-126.899.2174.2-68.8-175.3-179.9-176.90108.7V280V280-K282 HydrophobicContact CG1-CG 4.23Å
283P86.4Confident82.6Confident96 Ų96127.1 Ų127.162%0.62374%0.742SS**PPolyproline II helixtrans-66.3145176.827.6-32.7000110.4Y281Y281-P283 HydrophobicContact CE1-CB 3.85Å; Y281-P283 HydrophobicContact CE1-CG 4.08Å
284V86.2Confident81.6Confident127 Ų127126.8 Ų126.877%0.7774%0.738SS**PPolyproline II helixtrans-100.2119.4175.4178.80000108.4L286V284-L286 HydrophobicContact CG1-CD2 4.35Å; V284-L286 HydrophobicContact CG1-CG 4.49Å
285D86.1Confident80.6Confident117 Ų117128.4 Ų128.463%0.62674%0.739SS**PPolyproline II helixtrans-83.4134.5173.7-178.430.9000111.4S287D285-S287 VanDerWaalsContact CG-OG 3.3Å; D285-S287 WeakPolarHBondContact OD1-CB 3.46Å; D285-S287 PolarHBondContact OD1-N 2.71Å; D285-S287 PolarHBondContact OD1-OG 3.04Å; D285-S287 WeakPolarHBondContact OD2-CB 3.16Å; D285-S287 PolarHBondContact OD2-OG 3.47Å
286L86.1Confident79.7Confident122 Ų122131 Ų13164%0.63974%0.735SS**  trans-12412.9176.1-63174.9000112V284 K288 V289V284-L286 HydrophobicContact CG1-CD2 4.35Å; V284-L286 HydrophobicContact CG1-CG 4.49Å; L286-K288 PolarHBondContact O-N 3.05Å; L286-V289 HydrophobicContact CB-CG2 4.37Å; L286-V289 WeakPolarHBondContact O-CB 3.36Å; L286-V289 WeakPolarHBondContact O-CG2 3.44Å; L286-V289 PolarHBondContact O-N 3.49Å
287S82.5Confident79.1Confident82 Ų82128.2 Ų128.257%0.57373%0.725SS**THydrogen-bonded Turntrans-47.2-26.2-174.959.80000116.4D285D285-S287 VanDerWaalsContact CG-OG 3.3Å; D285-S287 WeakPolarHBondContact OD1-CB 3.46Å; D285-S287 PolarHBondContact OD1-N 2.71Å; D285-S287 PolarHBondContact OD1-OG 3.04Å; D285-S287 WeakPolarHBondContact OD2-CB 3.16Å; D285-S287 PolarHBondContact OD2-OG 3.47Å
288K80.1Confident78.1Confident190 Ų190128.7 Ų128.783%0.82672%0.724SS**THydrogen-bonded Turntrans-93.20.5-176.4-61.5173.3-172.6172.70113.9L286 T290L286-K288 PolarHBondContact O-N 3.05Å; K288-T290 PolarHBondContact O-N 3.27Å
289V81.8Confident77.2Confident115 Ų115126.2 Ų126.270%0.69772%0.715SS**  trans-87.895.8-180-176.70000110.2L286L286-V289 HydrophobicContact CB-CG2 4.37Å; L286-V289 WeakPolarHBondContact O-CB 3.36Å; L286-V289 WeakPolarHBondContact O-CG2 3.44Å; L286-V289 PolarHBondContact O-N 3.49Å
290T76.1Confident76.6Confident125 Ų125126.7 Ų126.777%0.76771%0.713SS**  trans-86.7137.8169.854.40000111.1K288K288-T290 PolarHBondContact O-N 3.27Å
291S74.9Confident75.9Confident107 Ų107128.2 Ų128.275%0.74871%0.713SS**  trans-80139.9175.557.80000110.9C293S291-C293 VanDerWaalsContact C-N 3.29Å
292K72.4Confident75.3Confident216 Ų216128.2 Ų128.294%0.93972%0.717SS**  trans-92.418.2174.6-62.3-173.5179.4-178.20113
293C70Confident74.3Confident93 Ų93125 Ų12563%0.62871%0.713SS**  trans-86.1114.2-175.1-1690000110.5S291 S295S291-C293 VanDerWaalsContact C-N 3.29Å; C293-S295 PolarHBondContact O-N 3.03Å
294G64.2Low73.5Confident75 Ų75124.6 Ų124.677%0.77373%0.727SS**  trans-7645.8-179.300000114.6L296G294-L296 PolarHBondContact O-N 2.85Å
295S63.5Low72.7Confident99 Ų99122.4 Ų122.469%0.69273%0.73SS**THydrogen-bonded Turntrans-70.78-171.162.90000115.7C293C293-S295 PolarHBondContact O-N 3.03Å
296L63.7Low71.6Confident132 Ų132120.4 Ų120.469%0.69174%0.737SS**THydrogen-bonded Turntrans-90.28.6-178.8-62.7178000114G294 N298 I299G294-L296 PolarHBondContact O-N 2.85Å; L296-N298 PolarHBondContact O-N 3.46Å; L296-N298 VanDerWaalsContact O-N 3.12Å; L296-I299 HydrophobicContact CB-CG2 4.27Å; L296-I299 HydrophobicContact CD2-CG2 4.25Å; L296-I299 WeakPolarHBondContact O-CG2 3.41Å
297G67.2Low70.5Confident68 Ų68124.2 Ų124.270%0.70175%0.752SS**THydrogen-bonded Turntrans-60-22.8-176.700000115.9
298N62.8Low69.8Low141 Ų141125.9 Ų125.975%0.75476%0.758SS**THydrogen-bonded Turntrans-111.421.5-173.1-82-8.8000115L296 H300 H301L296-N298 PolarHBondContact O-N 3.46Å; L296-N298 VanDerWaalsContact O-N 3.12Å; N298-H300 PolarHBondContact O-N 2.88Å; N298-H301 PolarHBondContact O-N 3.24Å; N298-H301 VanDerWaalsContact O-N 3.08Å
299I66.9Low69.4Low121 Ų121124 Ų12462%0.62175%0.752SS**THydrogen-bonded Turntrans-57.8-10.8-178.953.9170.4000115.9L296L296-I299 HydrophobicContact CB-CG2 4.27Å; L296-I299 HydrophobicContact CD2-CG2 4.25Å; L296-I299 WeakPolarHBondContact O-CG2 3.41Å
300H71.9Confident68.6Low166 Ų166124.5 Ų124.577%0.76976%0.755SS**THydrogen-bonded Turntrans-103.75.2179.1-58.4125.8000114.6N298 K302N298-H300 PolarHBondContact O-N 2.88Å; H300-K302 PolarHBondContact O-N 3.29Å; H300-K302 VanDerWaalsContact O-N 3.16Å
301H73.9Confident68.2Low139 Ų139126.2 Ų126.264%0.64475%0.752SS**  trans-67.3113.3177.2179.2-111000111.8N298 P303N298-H301 PolarHBondContact O-N 3.24Å; N298-H301 VanDerWaalsContact O-N 3.08Å; H301-P303 WeakPolarHBondContact O-CD 3.19Å
302K73.9Confident67.7Low191 Ų191125.3 Ų125.383%0.8375%0.746SS**  trans-94.8104.9167.6-68.1-70.4-173.4177.50108.5H300 G304H300-K302 PolarHBondContact O-N 3.29Å; H300-K302 VanDerWaalsContact O-N 3.16Å; K302-G304 PolarHBondContact O-N 2.75Å
303P70Confident67.9Low103 Ų103122.6 Ų122.667%0.66974%0.736SS**  trans-65.9121.717726.1-33.1000110.4H301H301-P303 WeakPolarHBondContact O-CD 3.19Å
304G68.7Low67.7Low88 Ų88126.4 Ų126.491%0.90774%0.742SS**  trans-88.9108.5173.600000111.3K302K302-G304 PolarHBondContact O-N 2.75Å
305G70.3Confident68Low81 Ų81127.7 Ų127.784%0.83573%0.731SS**  trans169.2161.5176.500000112.5
306G63.6Low68.3Low75 Ų75128.1 Ų128.177%0.77373%0.725SS**  trans116.14.6173.800000116.9V308G306-V308 PolarHBondContact O-N 3.14Å
307Q63.2Low68.7Low202 Ų202127.4 Ų127.494%0.94472%0.717SS**  trans-79.546.8178-158.4169.97.900113.1
308V66.8Low68.8Low117 Ų117132 Ų13271%0.70972%0.717SS**SBendtrans-134.5118.9175.7-178.50000108.6G306 V310G306-V308 PolarHBondContact O-N 3.14Å; V308-V310 PolarHBondContact O-N 3.45Å; V308-V310 VanDerWaalsContact O-N 3.08Å
309E71.3Confident69.1Low150 Ų150132.9 Ų132.970%0.70172%0.722SS**  trans-75.194.7-179.9-168.5-165.917200110.6K311E309-K311 HydrophobicContact CG-CG 4.19Å; E309-K311 PolarHBondContact O-N 3.02Å; E309-K311 WeakPolarHBondContact OE1-CE 3.46Å; E309-K311 IonicContact OE1-NZ 3.16Å; E309-K311 WeakPolarHBondContact OE2-CE 3.17Å; E309-K311 IonicContact OE2-NZ 3.99Å; E309-K311 PolarHBondContact OE2-NZ 3.33Å; E309-K311 VanDerWaalsContact OE2-NZ 3.16Å
310V66.6Low69.4Low126 Ų126137.6 Ų137.676%0.76473%0.732SS**  trans-75.790176.3-176.40000109.9V308 S312V308-V310 PolarHBondContact O-N 3.45Å; V308-V310 VanDerWaalsContact O-N 3.08Å; V310-S312 PolarHBondContact O-N 3.4Å
311K67.7Low69.7Low161 Ų161134.8 Ų134.870%0.773%0.726SS**  trans-68.496.1178-67.6-177.7178.2176.60111.2E309 E313E309-K311 HydrophobicContact CG-CG 4.19Å; E309-K311 PolarHBondContact O-N 3.02Å; E309-K311 WeakPolarHBondContact OE1-CE 3.46Å; E309-K311 IonicContact OE1-NZ 3.16Å; E309-K311 WeakPolarHBondContact OE2-CE 3.17Å; E309-K311 IonicContact OE2-NZ 3.99Å; E309-K311 PolarHBondContact OE2-NZ 3.33Å; E309-K311 VanDerWaalsContact OE2-NZ 3.16Å; K311-E313 PolarHBondContact O-N 3.02Å
312S64.4Low69.9Low88 Ų88136.3 Ų136.362%0.61573%0.734SS**  trans-87.796.9175.868.60000111.7V310 K314V310-S312 PolarHBondContact O-N 3.4Å; S312-K314 PolarHBondContact O-N 3.12Å
313E75.5Confident70.2Confident159 Ų159131.3 Ų131.374%0.74372%0.723SS**  trans-74.291.6169.8-164.5-175.7155.800110.2K311 L315K311-E313 PolarHBondContact O-N 3.02Å; E313-L315 HydrophobicContact CG-CG 4.2Å; E313-L315 PolarHBondContact O-N 2.95Å; E313-L315 VanDerWaalsContact O-N 3.09Å; E313-L315 WeakPolarHBondContact OE1-CD2 3.36Å
314K64.9Low71Confident173 Ų173136.5 Ų136.575%0.75274%0.735SS**  trans-81.285.1177.6-72.2-174.4177.71790110.8S312 D316S312-K314 PolarHBondContact O-N 3.12Å; K314-D316 VanDerWaalsContact C-N 3.35Å; K314-D316 PolarHBondContact O-N 3.29Å
315L71.8Confident71.6Confident102 Ų102138.6 Ų138.653%0.53472%0.724SS.*  trans-72.284.4172.2-70.7170.8000111.5E313 F317E313-L315 HydrophobicContact CG-CG 4.2Å; E313-L315 PolarHBondContact O-N 2.95Å; E313-L315 VanDerWaalsContact O-N 3.09Å; E313-L315 WeakPolarHBondContact OE1-CD2 3.36Å; L315-F317 HydrophobicContact CB-CD2 3.99Å; L315-F317 HydrophobicContact CB-CE2 3.54Å; L315-F317 HydrophobicContact CB-CZ 4.07Å; L315-F317 HydrophobicContact CD1-CE2 3.98Å; L315-F317 HydrophobicContact CD1-CZ 4.14Å; L315-F317 HydrophobicContact CD2-CZ 4.24Å; L315-F317 HydrophobicContact CG-CE2 4.24Å; L315-F317 HydrophobicContact CG-CZ 4.39Å; L315-F317 WeakPolarHBondContact O-CD2 3.42Å; L315-F317 PolarHBondContact O-N 2.76Å; L315-F317 VanDerWaalsContact O-N 3.1Å
316D69.4Low72.1Confident107 Ų107136.9 Ų136.957%0.57271%0.706SS**  trans-78.489.5175.6-104.1-52.9000111.9K314 K318K314-D316 VanDerWaalsContact C-N 3.35Å; K314-D316 PolarHBondContact O-N 3.29Å; D316-K318 VanDerWaalsContact C-N 3.35Å; D316-K318 PolarHBondContact O-N 3.2Å; D316-K318 IonicContact OD1-NZ 3.73Å; D316-K318 PolarHBondContact OD1-NZ 3.31Å
317F72.1Confident73Confident118 Ų118137.7 Ų137.752%0.51870%0.7SS.*  trans-82.6-1.2-177-77.1-62.4000115.7L315 D319 R320 V321L315-F317 HydrophobicContact CB-CD2 3.99Å; L315-F317 HydrophobicContact CB-CE2 3.54Å; L315-F317 HydrophobicContact CB-CZ 4.07Å; L315-F317 HydrophobicContact CD1-CE2 3.98Å; L315-F317 HydrophobicContact CD1-CZ 4.14Å; L315-F317 HydrophobicContact CD2-CZ 4.24Å; L315-F317 HydrophobicContact CG-CE2 4.24Å; L315-F317 HydrophobicContact CG-CZ 4.39Å; L315-F317 WeakPolarHBondContact O-CD2 3.42Å; L315-F317 PolarHBondContact O-N 2.76Å; L315-F317 VanDerWaalsContact O-N 3.1Å; F317-D319 VanDerWaalsContact C-N 3.33Å; F317-D319 PolarHBondContact O-N 3.39Å; F317-D319 VanDerWaalsContact O-N 3.17Å; F317-R320 PolarHBondContact O-N 2.89Å; F317-V321 HydrophobicContact CB-CG2 3.84Å; F317-V321 HydrophobicContact CD1-CG2 4.5Å; F317-V321 HydrophobicContact CG-CG2 4.4Å; F317-V321 PolarHBondContact O-N 3.41Å; F317-V321 VanDerWaalsContact O-N 3.14Å
318K68.4Low74Confident164 Ų164133.4 Ų133.471%0.71368%0.683SS**THydrogen-bonded Turntrans-54.7-40.4-164.1-70.4169-177.6121.60114.6D316D316-K318 VanDerWaalsContact C-N 3.35Å; D316-K318 PolarHBondContact O-N 3.2Å; D316-K318 IonicContact OD1-NZ 3.73Å; D316-K318 PolarHBondContact OD1-NZ 3.31Å
319D70.9Confident74.9Confident160 Ų160133.7 Ų133.786%0.85668%0.681SS**THydrogen-bonded Turntrans-95.9-3.4-176.6-52.4-35.6000113.5F317F317-D319 VanDerWaalsContact C-N 3.33Å; F317-D319 PolarHBondContact O-N 3.39Å; F317-D319 VanDerWaalsContact O-N 3.17Å
320R71.5Confident75.4Confident219 Ų219133.1 Ų133.183%0.82668%0.683SS**THydrogen-bonded Turntrans-111.2-16-175.4-65-171.5-178.8-135.11.2114.3F317 Q322F317-R320 PolarHBondContact O-N 2.89Å; R320-Q322 PolarHBondContact O-N 3.16Å
321V78.4Confident76.2Confident107 Ų107133.1 Ų133.165%0.64868%0.677SS**  trans-89.2107.3177.8171.50000110.1F317F317-V321 HydrophobicContact CB-CG2 3.84Å; F317-V321 HydrophobicContact CD1-CG2 4.5Å; F317-V321 HydrophobicContact CG-CG2 4.4Å; F317-V321 PolarHBondContact O-N 3.41Å; F317-V321 VanDerWaalsContact O-N 3.14Å
322Q78Confident77.1Confident171 Ų171131.2 Ų131.280%0.79968%0.679SS**  trans-102.3151.7172.3-62.8-1761.200111R320R320-Q322 PolarHBondContact O-N 3.16Å
323S81.6Confident78.1Confident86 Ų86133.6 Ų133.660%0.60168%0.68SS**  trans-64.8135.2170.41780000110.5I325S323-I325 VanDerWaalsContact C-N 3.27Å; S323-I325 PolarHBondContact OG-N 3.19Å; S323-I325 PolarHBondContact OG-O 2.85Å
324K86.9Confident78.4Confident213 Ų213132 Ų13293%0.92668%0.681SS**SBendtrans-876.2169.3-62.3-171.9179.2-175.80113.3
325I79.7Confident79.1Confident131 Ų131128.6 Ų128.667%0.67268%0.676SS**SBendtrans-108.9120.1-176.8-56.9175.3000109.5S323 S327S323-I325 VanDerWaalsContact C-N 3.27Å; S323-I325 PolarHBondContact OG-N 3.19Å; S323-I325 PolarHBondContact OG-O 2.85Å; I325-S327 PolarHBondContact O-N 3.37Å
326G82.5Confident79.6Confident45 Ų45126.8 Ų126.846%0.46468%0.682SS.*  trans-67.258.4175.800000114.2L328 D329G326-L328 VanDerWaalsContact C-N 3.26Å; G326-L328 PolarHBondContact O-N 3.31Å; G326-D329 WeakPolarHBondContact CA-OD1 3.41Å; G326-D329 WeakPolarHBondContact CA-OD2 3.35Å; G326-D329 VanDerWaalsContact O-CG 3.24Å
327S82Confident80Confident92 Ų92124.5 Ų124.564%0.64368%0.684SS**THydrogen-bonded Turntrans-73.9-14.2-173.955.20000114.2I325I325-S327 PolarHBondContact O-N 3.37Å
328L82.6Confident79.9Confident113 Ų113122.8 Ų122.859%0.59270%0.7SS**THydrogen-bonded Turntrans-120.38.1-175.4-59.9-178000113.3G326 N330 I331G326-L328 VanDerWaalsContact C-N 3.26Å; G326-L328 PolarHBondContact O-N 3.31Å; L328-N330 PolarHBondContact O-N 3.05Å; L328-I331 HydrophobicContact CB-CB 4.41Å; L328-I331 HydrophobicContact CB-CG2 4.5Å; L328-I331 HydrophobicContact CD2-CD1 4.38Å; L328-I331 WeakPolarHBondContact O-CB 3.11Å; L328-I331 WeakPolarHBondContact O-CG2 3.45Å; L328-I331 PolarHBondContact O-N 3.11Å
329D86.1Confident79.9Confident122 Ų122122 Ų12265%0.65270%0.704SS**THydrogen-bonded Turntrans-60.1-25.7-171.7-58.17.3000112.7G326G326-D329 WeakPolarHBondContact CA-OD1 3.41Å; G326-D329 WeakPolarHBondContact CA-OD2 3.35Å; G326-D329 VanDerWaalsContact O-CG 3.24Å
330N81.9Confident79.9Confident139 Ų139123.8 Ų123.874%0.74370%0.704SS**THydrogen-bonded Turntrans-96.55.9176.7-68.3-70.9000114.5L328 T332 H333L328-N330 PolarHBondContact O-N 3.05Å; N330-T332 PolarHBondContact O-N 3.06Å; N330-T332 VanDerWaalsContact O-N 3.14Å; N330-H333 WeakPolarHBondContact O-CB 3.46Å; N330-H333 PolarHBondContact O-N 3.41Å
331I84.6Confident80.1Confident126 Ų126121.7 Ų121.765%0.64670%0.7SS**THydrogen-bonded Turntrans-62.2-24-174.6-161174.4000113.4L328 H333L328-I331 HydrophobicContact CB-CB 4.41Å; L328-I331 HydrophobicContact CB-CG2 4.5Å; L328-I331 HydrophobicContact CD2-CD1 4.38Å; L328-I331 WeakPolarHBondContact O-CB 3.11Å; L328-I331 WeakPolarHBondContact O-CG2 3.45Å; L328-I331 PolarHBondContact O-N 3.11Å; I331-H333 VanDerWaalsContact C-N 3.32Å
332T86Confident79.9Confident120 Ų120124 Ų12474%0.73671%0.707SS**THydrogen-bonded Turntrans-81.8-4.9178.153.20000113.7N330 V334N330-T332 PolarHBondContact O-N 3.06Å; N330-T332 VanDerWaalsContact O-N 3.14Å; T332-V334 PolarHBondContact O-N 3.22Å
333H85Confident79.5Confident138 Ų138122.2 Ų122.264%0.63970%0.699SS**  trans-71.196178175.1-88.1000111.6N330 I331N330-H333 WeakPolarHBondContact O-CB 3.46Å; N330-H333 PolarHBondContact O-N 3.41Å; I331-H333 VanDerWaalsContact C-N 3.32Å
334V83.3Confident78.7Confident126 Ų126124.1 Ų124.176%0.76471%0.707SS**  trans-75.4121.2169.2-178.10000109.2T332 G336T332-V334 PolarHBondContact O-N 3.22Å; V334-G336 PolarHBondContact O-N 3.01Å
335P79.2Confident77.8Confident101 Ų101121 Ų12166%0.65670%0.696SS**  trans-71.3102.2-176.128.3-34.8000111.8G337P335-G337 PolarHBondContact O-N 3.49Å
336G81Confident77.2Confident64 Ų64123.5 Ų123.566%0.6670%0.702SS**  trans-69.822.6176.700000116V334V334-G336 PolarHBondContact O-N 3.01Å
337G79.4Confident76.4Confident59 Ų59127.1 Ų127.161%0.60871%0.71SS**  trans-73.4162.6-178.900000113.6P335 N339P335-G337 PolarHBondContact O-N 3.49Å; G337-N339 PolarHBondContact O-N 2.82Å; G337-N339 VanDerWaalsContact O-N 3.09Å
338G69.1Low75.5Confident82 Ų82128.6 Ų128.685%0.84572%0.715SS**SBendtrans80.6-28174.900000116.2K340G338-K340 PolarHBondContact O-N 3.18Å
339N67.7Low74.6Confident149 Ų149129.8 Ų129.880%0.79772%0.716SS**  trans-76.7-16.7-174.4-67.5-16.4000114.8G337 K341G337-N339 PolarHBondContact O-N 2.82Å; G337-N339 VanDerWaalsContact O-N 3.09Å; N339-K341 PolarHBondContact O-N 2.96Å
340K71.5Confident73.5Confident197 Ų197136.1 Ų136.186%0.85773%0.731SS**  trans-85.790.1176-71.3-174.3179.8178.90110.9G338 I342G338-K340 PolarHBondContact O-N 3.18Å; K340-I342 PolarHBondContact O-N 3.19Å
341K75.3Confident72.6Confident175 Ų175138.2 Ų138.276%0.76174%0.736SS**  trans-67.8121.8170.2-172.8-175.9-179.5-168.30110N339 E343N339-K341 PolarHBondContact O-N 2.96Å; K341-E343 PolarHBondContact O-N 2.59Å
342I74.8Confident71.4Confident154 Ų154139.3 Ų139.379%0.7974%0.743SS**  trans-76.7109174.9-59.4175.5000108.6K340 T344K340-I342 PolarHBondContact O-N 3.19Å; I342-T344 PolarHBondContact O-N 3.12Å
343E70.1Confident70.2Confident135 Ų135137.1 Ų137.163%0.63174%0.737SS**  trans-81111-179.5-60.1-156.5123.100111.4K341 H345K341-E343 PolarHBondContact O-N 2.59Å; E343-H345 PolarHBondContact O-N 2.93Å
344T63.7Low69.3Low125 Ų125140 Ų14077%0.76775%0.748SS**  trans-80.479.3-174.5-40.60000111.9I342 K346I342-T344 PolarHBondContact O-N 3.12Å; T344-K346 PolarHBondContact O-N 3.12Å
345H69.1Low68.6Low149 Ų149138.1 Ų138.169%0.6975%0.746SS**  trans-7077.3170.7-79.1-92.6000111.5E343 L347E343-H345 PolarHBondContact O-N 2.93Å; H345-L347 PolarHBondContact O-N 3.28Å
346K66.5Low68.1Low182 Ų182143.3 Ų143.379%0.79176%0.758SS**  trans-74.489.5177.6-169.1175.8-175.8176.90110.4T344 T348T344-K346 PolarHBondContact O-N 3.12Å; K346-T348 PolarHBondContact O-N 3.37Å
347L65.8Low67.6Low121 Ų121145.3 Ų145.363%0.63476%0.757SS**  trans-65.5109.4-175.4-67.5156.9000112.3H345 F349H345-L347 PolarHBondContact O-N 3.28Å; L347-F349 VanDerWaalsContact C-N 3.31Å; L347-F349 HydrophobicContact CB-CD2 3.84Å; L347-F349 HydrophobicContact CB-CE1 4.24Å; L347-F349 HydrophobicContact CB-CE2 3.44Å; L347-F349 VanDerWaalsContact CB-CE2 3.44Å; L347-F349 HydrophobicContact CB-CG 4.42Å; L347-F349 HydrophobicContact CB-CZ 3.67Å; L347-F349 HydrophobicContact CD1-CE2 3.79Å; L347-F349 HydrophobicContact CD1-CZ 3.76Å; L347-F349 HydrophobicContact CD2-CE1 4.26Å; L347-F349 HydrophobicContact CD2-CE2 4.49Å; L347-F349 HydrophobicContact CD2-CZ 3.88Å; L347-F349 HydrophobicContact CG-CE2 4.08Å; L347-F349 HydrophobicContact CG-CZ 3.97Å; L347-F349 PolarHBondContact O-N 3.18Å
348T63.2Low67Low124 Ų124149.6 Ų149.676%0.76177%0.766SS**  trans-84.861.8-177.249.90000112.7K346 R350K346-T348 PolarHBondContact O-N 3.37Å; T348-R350 VanDerWaalsContact C-N 3.3Å; T348-R350 PolarHBondContact O-N 2.94Å
349F63.1Low66.6Low137 Ų137151.9 Ų151.960%0.60176%0.755SS**Hα-helixtrans-70.5-15.7-175.9-64.3-53.7000115.6L347 E351 A353L347-F349 VanDerWaalsContact C-N 3.31Å; L347-F349 HydrophobicContact CB-CD2 3.84Å; L347-F349 HydrophobicContact CB-CE1 4.24Å; L347-F349 HydrophobicContact CB-CE2 3.44Å; L347-F349 VanDerWaalsContact CB-CE2 3.44Å; L347-F349 HydrophobicContact CB-CG 4.42Å; L347-F349 HydrophobicContact CB-CZ 3.67Å; L347-F349 HydrophobicContact CD1-CE2 3.79Å; L347-F349 HydrophobicContact CD1-CZ 3.76Å; L347-F349 HydrophobicContact CD2-CE1 4.26Å; L347-F349 HydrophobicContact CD2-CE2 4.49Å; L347-F349 HydrophobicContact CD2-CZ 3.88Å; L347-F349 HydrophobicContact CG-CE2 4.08Å; L347-F349 HydrophobicContact CG-CZ 3.97Å; L347-F349 PolarHBondContact O-N 3.18Å; F349-E351 VanDerWaalsContact C-N 3.28Å; F349-E351 PolarHBondContact O-N 3.43Å; F349-E351 VanDerWaalsContact O-N 3.11Å; F349-A353 WeakPolarHBondContact O-CB 3.45Å; F349-A353 PolarHBondContact O-N 3.33Å
350R63.7Low66.3Low256 Ų256148.7 Ų148.797%0.96676%0.757SS**Hα-helixtrans-69-10.6-164.8-68.8-175.271.5141.6-0.9116.7T348T348-R350 VanDerWaalsContact C-N 3.3Å; T348-R350 PolarHBondContact O-N 2.94Å
351E61.9Low66Low183 Ų183142.8 Ų142.886%0.85575%0.745SS**Hα-helixtrans-119.9-36.9-174.6-166.6167.7-157.300113.7F349F349-E351 VanDerWaalsContact C-N 3.28Å; F349-E351 PolarHBondContact O-N 3.43Å; F349-E351 VanDerWaalsContact O-N 3.11Å
352N59.6Low65.7Low149 Ų149143 Ų14380%0.79775%0.748SS**Hα-helixtrans-95.5-6.8-178.2-74.9-42.5000114.7K354N352-K354 PolarHBondContact O-N 3.25Å
353A61.9Low65.2Low74 Ų74141.9 Ų141.961%0.61274%0.743SS**  trans-79.386.5-179.700000112.1F349 A355F349-A353 WeakPolarHBondContact O-CB 3.45Å; F349-A353 PolarHBondContact O-N 3.33Å; A353-A355 PolarHBondContact O-N 3.05Å
354K65.4Low65.2Low198 Ų198140.7 Ų140.786%0.86174%0.744SS**  trans-63.7127.5162.7-81-165.7173.5-171.60109.9N352 K356N352-K354 PolarHBondContact O-N 3.25Å; K354-K356 PolarHBondContact O-N 3.02Å; K354-K356 VanDerWaalsContact O-N 3.16Å
355A68.9Low64.9Low87 Ų87144 Ų14472%0.71974%0.744SS**  trans-59.2116.8172.200000110.5A353A353-A355 PolarHBondContact O-N 3.05Å
356K69.2Low64.8Low210 Ų210145.8 Ų145.891%0.91375%0.75SS**  trans-98.862.1166.4-77.6-170.3171.5-172.90109.6K354 D358K354-K356 PolarHBondContact O-N 3.02Å; K354-K356 VanDerWaalsContact O-N 3.16Å; K356-D358 PolarHBondContact O-N 3.41Å
357T69.8Low64Low106 Ų106140.5 Ų140.565%0.6574%0.736SS**  trans-77.992.1164.145.20000108.2H359T357-H359 PolarHBondContact O-ND1 3.09Å
358D66.4Low63.8Low148 Ų148140.4 Ų140.479%0.79174%0.743SS**  trans-71.1141.7158.3-166.89.5000108.8K356 G360K356-D358 PolarHBondContact O-N 3.41Å; D358-G360 VanDerWaalsContact C-N 3.29Å; D358-G360 PolarHBondContact O-N 3.08Å; D358-G360 VanDerWaalsContact O-N 3.14Å
359H60.4Low62.9Low131 Ų131141 Ų14161%0.60675%0.746SS**  trans-9174.7-179.3-56.963.6000106.4T357 A361 I363T357-H359 PolarHBondContact O-ND1 3.09Å; H359-A361 PolarHBondContact O-N 3.04Å; H359-I363 HydrophobicContact CB-CD1 4.46Å
360G62.3Low62.4Low82 Ų82140.5 Ų140.585%0.84575%0.754SS**  trans-65.520.9-171.600000116.5D358D358-G360 VanDerWaalsContact C-N 3.29Å; D358-G360 PolarHBondContact O-N 3.08Å; D358-G360 VanDerWaalsContact O-N 3.14Å
361A66.2Low61.6Low72 Ų72133.9 Ų133.960%0.59575%0.746SS**SBendtrans-136.9133.917000000108.1H359 I363H359-A361 PolarHBondContact O-N 3.04Å; A361-I363 PolarHBondContact O-N 3.04Å
362E67.9Low60.7Low180 Ų180127.8 Ų127.884%0.84173%0.733SS**  trans-62110.3176-67.3-170.4136.600110.4V364E362-V364 HydrophobicContact CB-CG2 4.14Å; E362-V364 PolarHBondContact O-N 3.01Å
363I64.6Low59.8Low131 Ų131128.8 Ų128.867%0.67274%0.738SS**  trans-77.779.8174.1-53.4-178.5000108.2H359 A361 Y365H359-I363 HydrophobicContact CB-CD1 4.46Å; A361-I363 PolarHBondContact O-N 3.04Å; I363-Y365 VanDerWaalsContact C-N 3.3Å; I363-Y365 PolarHBondContact O-N 2.89Å
364V69.1Low59.2Low110 Ų110131.5 Ų131.567%0.66775%0.747SS**  trans-68.586.7176.9-177.50000109.4E362 K366E362-V364 HydrophobicContact CB-CG2 4.14Å; E362-V364 PolarHBondContact O-N 3.01Å; V364-K366 VanDerWaalsContact C-N 3.26Å; V364-K366 PolarHBondContact O-N 3.24Å
365Y57.3Low58.1Low193 Ų193127.4 Ų127.476%0.75774%0.744SS**  trans-71.980.6177.3-172.7-104.5000111.1I363 S367I363-Y365 VanDerWaalsContact C-N 3.3Å; I363-Y365 PolarHBondContact O-N 2.89Å; Y365-S367 VanDerWaalsContact C-N 3.32Å; Y365-S367 PolarHBondContact O-N 3.15Å
366K67.5Low57.7Low187 Ų187129 Ų12981%0.81375%0.747SS**  trans-80.581175.9-153.6176.7-165.7-61.20109.4V364 P368V364-K366 VanDerWaalsContact C-N 3.26Å; V364-K366 PolarHBondContact O-N 3.24Å; K366-P368 WeakPolarHBondContact O-CD 3.33Å
367S50.9Low57.1Low71 Ų71130 Ų13050%0.49775%0.745SS.*  trans-52.1125.9-178.148.90000112.5Y365 V369Y365-S367 VanDerWaalsContact C-N 3.32Å; Y365-S367 PolarHBondContact O-N 3.15Å; S367-V369 PolarHBondContact O-N 3.2Å
368P61.5Low56Low120 Ų120133.3 Ų133.378%0.77975%0.753SS**  trans-64.1121.7164.5-19.632.9000109K366 V370K366-P368 WeakPolarHBondContact O-CD 3.33Å; P368-V370 PolarHBondContact O-N 3.4Å
369V43.3Very low55.6Low136 Ų136133.7 Ų133.782%0.82475%0.754SS**  trans-76.1111.9170.51790000107.8S367S367-V369 PolarHBondContact O-N 3.2Å
370V51.8Low55Low127 Ų127131.3 Ų131.377%0.7775%0.752SS**  trans-175.5130.7145.8140.20000110.7P368P368-V370 PolarHBondContact O-N 3.4Å
371S47Very low54.4Low116 Ų116134.5 Ų134.581%0.81175%0.75SS**  trans13.4133.4155.1-45.30000122.7
372G43.7Very low53.8Low55 Ų55137.2 Ų137.257%0.56776%0.759SS**  97.398.1115.800000119.4T374G372-T374 PolarHBondContact O-N 2.98Å; G372-T374 VanDerWaalsContact O-N 3.17Å
373D40.1Very low52.8Low171 Ų171133.6 Ų133.691%0.91475%0.753SS**  57.540.3125.8-50-14.6000119.8
374T49.9Very low52.2Low131 Ų131133.4 Ų133.480%0.80476%0.763SS**  trans-130.4141154.763.20000111.9G372 P376G372-T374 PolarHBondContact O-N 2.98Å; G372-T374 VanDerWaalsContact O-N 3.17Å; T374-P376 WeakPolarHBondContact O-CD 3.21Å
375S42.9Very low51.2Low112 Ų112134.5 Ų134.578%0.78377%0.771SS**PPolyproline II helixtrans-91.7117.4-178.6-172.50000110.6R377S375-R377 PolarHBondContact O-N 3.01Å
376P60.1Low51.1Low121 Ų121129.5 Ų129.579%0.78678%0.778SS**PPolyproline II helixtrans-65.1129.3-179.7-22.534.7000111.9T374T374-P376 WeakPolarHBondContact O-CD 3.21Å
377R56.8Low50.6Low229 Ų229124.5 Ų124.586%0.86477%0.766SS**PPolyproline II helixtrans-77.5148.8-179.1-68.1-173.3-179.1-1791.5112.2S375 L379S375-R377 PolarHBondContact O-N 3.01Å; R377-L379 PolarHBondContact O-N 3.04Å
378H46.6Very low50.8Low177 Ų177128.7 Ų128.782%0.81978%0.781SS**  trans-57.3110-179.4-166.2-83.2000112.3S380H378-S380 PolarHBondContact O-N 3.14Å
379L56.9Low50.4Low155 Ų155128.6 Ų128.681%0.81277%0.774SS**  trans-84113.6-179.2-69.2178.6000112.1R377R377-L379 PolarHBondContact O-N 3.04Å
380S48.7Very low50.8Low82 Ų82130.6 Ų130.657%0.57378%0.777SS**  trans17.1120.6153.856.20000119.6H378 V382H378-S380 PolarHBondContact O-N 3.14Å; S380-V382 PolarHBondContact O-N 3.37Å
381N50.7Low51.2Low149 Ų149130.5 Ų130.580%0.79778%0.776SS**  trans-65.191.3165.1-67.6-5000111.6S383N381-S383 PolarHBondContact O-N 2.87Å
382V53.1Low51.4Low129 Ų129131.5 Ų131.578%0.78277%0.772SS**  trans-93.585.3166.3-74.70000109.9S380S380-V382 PolarHBondContact O-N 3.37Å
383S46.1Very low52.3Low103 Ų103131.8 Ų131.872%0.7277%0.766SS**  trans-106.8112.3172.1-67.70000110.1N381 T385N381-S383 PolarHBondContact O-N 2.87Å; S383-T385 PolarHBondContact O-N 3.03Å; S383-T385 VanDerWaalsContact O-N 3.11Å
384S51.5Low53.7Low127 Ų127128.2 Ų128.289%0.88875%0.752SS**  trans-65.9106-176.6-47.60000111.6G386S384-G386 PolarHBondContact O-N 3.44Å
385T49.2Very low54.7Low134 Ų134129 Ų12982%0.82275%0.746SS**  trans-7787.5176.447.40000110.9S383 S387S383-T385 PolarHBondContact O-N 3.03Å; S383-T385 VanDerWaalsContact O-N 3.11Å; T385-S387 VanDerWaalsContact C-N 3.27Å; T385-S387 PolarHBondContact O-N 2.79Å
386G55.8Low55.7Low88 Ų88129.3 Ų129.391%0.90774%0.739SS**  trans-70.682.4163.700000110.8S384S384-G386 PolarHBondContact O-N 3.44Å
387S56.8Low56Low81 Ų81125.7 Ų125.757%0.56672%0.719SS**  trans-118.6132.3170.4-157.60000110T385 D389T385-S387 VanDerWaalsContact C-N 3.27Å; T385-S387 PolarHBondContact O-N 2.79Å; S387-D389 VanDerWaalsContact C-N 3.26Å; S387-D389 VanDerWaalsContact CB-OD2 3.22Å; S387-D389 WeakPolarHBondContact CB-OD2 3.02Å; S387-D389 PolarHBondContact O-N 3.05Å; S387-D389 PolarHBondContact OG-OD2 3.33Å
388I54.7Low57Low159 Ų159119.1 Ų119.182%0.81570%0.704SS**  trans-9456.7177.5-172.7166.7000109.9M390I388-M390 PolarHBondContact O-N 3.13Å
389D52.2Low58.7Low119 Ų119115.1 Ų115.164%0.63669%0.689SS**  trans-80.599.5172.2-70.6-68.6000108.8S387 V391S387-D389 VanDerWaalsContact C-N 3.26Å; S387-D389 VanDerWaalsContact CB-OD2 3.22Å; S387-D389 WeakPolarHBondContact CB-OD2 3.02Å; S387-D389 PolarHBondContact O-N 3.05Å; S387-D389 PolarHBondContact OG-OD2 3.33Å; D389-V391 PolarHBondContact O-N 3.09Å
390M51.9Low59.8Low178 Ų178110.4 Ų110.488%0.87767%0.672SS**  trans-72.267.8174.8-69.9178.259.700110.9I388I388-M390 PolarHBondContact O-N 3.13Å
391V59.9Low61.5Low125 Ų125112.3 Ų112.376%0.75868%0.676SS**  trans-84.3124.3163.1-70.70000108.8D389 S393D389-V391 PolarHBondContact O-N 3.09Å; V391-S393 PolarHBondContact O-N 3.36Å
392D52.8Low63.1Low136 Ų136111.3 Ų111.373%0.72767%0.666SS**  trans-53.6117-170.5-171.315.6000112
393S62.1Low64.7Low61 Ų61109.7 Ų109.743%0.42766%0.657SS.*  trans-90.4115.2-178-173.50000108.6V391 Q395 L396V391-S393 PolarHBondContact O-N 3.36Å; S393-Q395 PolarHBondContact O-N 3.04Å; S393-L396 PolarHBondContact O-N 3.14Å
394P69.2Low66.6Low96 Ų96108.3 Ų108.362%0.62365%0.647SS**Hα-helixtrans-63.2-14.2-161.922.7-34.4000114.8L396 A397 T398P394-L396 VanDerWaalsContact C-N 3.31Å; P394-L396 PolarHBondContact O-N 2.81Å; P394-A397 PolarHBondContact O-N 2.98Å; P394-T398 PolarHBondContact O-N 3.42Å; P394-T398 PolarHBondContact O-OG1 2.89Å
395Q70.5Confident68.2Low147 Ų147104.5 Ų104.569%0.68762%0.623SS**Hα-helixtrans-68.3-25.7174.6-65-179.3-3100113.3S393 T398 L399S393-Q395 PolarHBondContact O-N 3.04Å; Q395-T398 WeakPolarHBondContact CA-OG1 3.42Å; Q395-T398 PolarHBondContact O-OG1 3.48Å; Q395-L399 WeakPolarHBondContact O-CD1 3.47Å; Q395-L399 WeakPolarHBondContact O-CG 3.45Å; Q395-L399 PolarHBondContact O-N 3.31Å
396L63.6Low70.1Confident119 Ų119101 Ų10162%0.62360%0.604SS**Hα-helixtrans-79.3-36.4174.8-65.7-178.3000111.7S393 P394 T398 L399 A400S393-L396 PolarHBondContact O-N 3.14Å; P394-L396 VanDerWaalsContact C-N 3.31Å; P394-L396 PolarHBondContact O-N 2.81Å; L396-T398 PolarHBondContact O-N 3.1Å; L396-L399 HydrophobicContact CD2-CD1 4.41Å; L396-L399 PolarHBondContact O-N 3.49Å; L396-A400 PolarHBondContact O-N 2.63Å
397A67.9Low71.4Confident45 Ų45100.9 Ų100.937%0.37258%0.582SS.*Hα-helixtrans-59.9-45.317400000111.6P394 L399 A400 D401P394-A397 PolarHBondContact O-N 2.98Å; A397-L399 VanDerWaalsContact C-N 3.31Å; A397-L399 PolarHBondContact O-N 3.17Å; A397-A400 PolarHBondContact O-N 2.98Å; A397-D401 PolarHBondContact O-N 3.35Å; A397-D401 VanDerWaalsContact O-N 3.14Å
398T76.6Confident72.7Confident91 Ų91100.6 Ų100.656%0.55859%0.585SS**Hα-helixtrans-61.7-36176.847.80000113.3P394 Q395 L396 E402P394-T398 PolarHBondContact O-N 3.42Å; P394-T398 PolarHBondContact O-OG1 2.89Å; Q395-T398 WeakPolarHBondContact CA-OG1 3.42Å; Q395-T398 PolarHBondContact O-OG1 3.48Å; L396-T398 PolarHBondContact O-N 3.1Å; T398-E402 WeakPolarHBondContact O-CB 3.45Å; T398-E402 PolarHBondContact O-N 2.89Å
399L82.4Confident73.9Confident94 Ų94101.5 Ų101.549%0.49258%0.583SS.*Hα-helixtrans-71.1-34.5176.8-72.9167.7000112.2Q395 L396 A397 E402 V403Q395-L399 WeakPolarHBondContact O-CD1 3.47Å; Q395-L399 WeakPolarHBondContact O-CG 3.45Å; Q395-L399 PolarHBondContact O-N 3.31Å; L396-L399 HydrophobicContact CD2-CD1 4.41Å; L396-L399 PolarHBondContact O-N 3.49Å; A397-L399 VanDerWaalsContact C-N 3.31Å; A397-L399 PolarHBondContact O-N 3.17Å; L399-E402 PolarHBondContact O-N 2.61Å; L399-V403 WeakPolarHBondContact O-CB 3.14Å; L399-V403 VanDerWaalsContact O-CG2 3.3Å; L399-V403 WeakPolarHBondContact O-CG2 3.45Å; L399-V403 PolarHBondContact O-N 3.03Å
400A80.7Confident75.1Confident56 Ų56103.3 Ų103.346%0.46359%0.587SS.*Hα-helixtrans-66.6-42.8176.400000112.2L396 A397 S404L396-A400 PolarHBondContact O-N 2.63Å; A397-A400 PolarHBondContact O-N 2.98Å; A400-S404 WeakPolarHBondContact O-CB 3.47Å; A400-S404 PolarHBondContact O-N 2.91Å; A400-S404 PolarHBondContact O-OG 2.99Å
401D83.7Confident75.8Confident122 Ų12298.1 Ų98.165%0.65258%0.58SS**Hα-helixtrans-65.1-42.1173.5-86.2-23.5000111.8A397 S404 A405A397-D401 PolarHBondContact O-N 3.35Å; A397-D401 VanDerWaalsContact O-N 3.14Å; D401-S404 PolarHBondContact O-N 2.95Å; D401-A405 VanDerWaalsContact O-CB 3.26Å; D401-A405 WeakPolarHBondContact O-CB 3.42Å; D401-A405 PolarHBondContact O-N 2.96Å
402E85.4Confident75.3Confident127 Ų127101.3 Ų101.359%0.59359%0.591SS**Hα-helixtrans-67-37.7-179.3-170.8166.6-132.700112.6T398 L399 S406T398-E402 WeakPolarHBondContact O-CB 3.45Å; T398-E402 PolarHBondContact O-N 2.89Å; L399-E402 PolarHBondContact O-N 2.61Å; E402-S406 WeakPolarHBondContact O-CB 3.41Å; E402-S406 PolarHBondContact O-N 3.27Å; E402-S406 PolarHBondContact O-OG 2.85Å
403V85.8Confident76.4Confident96 Ų9699.6 Ų99.658%0.58258%0.584SS**Hα-helixtrans-66-45.4171169.80000111.1L399 A405 S406 L407L399-V403 WeakPolarHBondContact O-CB 3.14Å; L399-V403 VanDerWaalsContact O-CG2 3.3Å; L399-V403 WeakPolarHBondContact O-CG2 3.45Å; L399-V403 PolarHBondContact O-N 3.03Å; V403-A405 PolarHBondContact O-N 3.12Å; V403-S406 WeakPolarHBondContact O-CB 3.15Å; V403-S406 PolarHBondContact O-N 3.09Å; V403-S406 VanDerWaalsContact O-N 3.12Å; V403-L407 PolarHBondContact O-N 3.41Å
404S86.1Confident77.2Confident73 Ų73101.6 Ų101.651%0.5159%0.593SS.*Hα-helixtrans-63.4-43179.8-58.10000112A400 D401 S406 L407 A408A400-S404 WeakPolarHBondContact O-CB 3.47Å; A400-S404 PolarHBondContact O-N 2.91Å; A400-S404 PolarHBondContact O-OG 2.99Å; D401-S404 PolarHBondContact O-N 2.95Å; S404-S406 VanDerWaalsContact C-N 3.27Å; S404-S406 PolarHBondContact O-N 3.08Å; S404-L407 PolarHBondContact O-N 3.02Å; S404-A408 WeakPolarHBondContact O-CB 3.39Å; S404-A408 PolarHBondContact O-N 2.91Å
405A85.9Confident77.6Confident48 Ų48101.9 Ų101.940%0.39759%0.591SS.*Hα-helixtrans-67.8-24.9174.800000113.1D401 V403 K409D401-A405 VanDerWaalsContact O-CB 3.26Å; D401-A405 WeakPolarHBondContact O-CB 3.42Å; D401-A405 PolarHBondContact O-N 2.96Å; V403-A405 PolarHBondContact O-N 3.12Å; A405-K409 WeakPolarHBondContact O-CD 2.89Å; A405-K409 VanDerWaalsContact O-CG 3.29Å; A405-K409 WeakPolarHBondContact O-CG 2.97Å; A405-K409 PolarHBondContact O-N 3.08Å
406S87.8Confident78Confident59 Ų5999.2 Ų99.241%0.41359%0.585SS.*Hα-helixtrans-76.7-39.9173.3-62.20000111.9E402 V403 S404 K409 Q410E402-S406 WeakPolarHBondContact O-CB 3.41Å; E402-S406 PolarHBondContact O-N 3.27Å; E402-S406 PolarHBondContact O-OG 2.85Å; V403-S406 WeakPolarHBondContact O-CB 3.15Å; V403-S406 PolarHBondContact O-N 3.09Å; V403-S406 VanDerWaalsContact O-N 3.12Å; S404-S406 VanDerWaalsContact C-N 3.27Å; S404-S406 PolarHBondContact O-N 3.08Å; S406-K409 PolarHBondContact O-N 3.27Å; S406-Q410 PolarHBondContact O-N 3.03Å
407L84Confident78.9Confident87 Ų8798 Ų9846%0.45558%0.583SS.*Hα-helixtrans-65.5-44.7175.9-139.274.1000111.5V403 S404 K409 Q410 G411 L412V403-L407 PolarHBondContact O-N 3.41Å; S404-L407 PolarHBondContact O-N 3.02Å; L407-K409 PolarHBondContact O-N 2.91Å; L407-Q410 WeakPolarHBondContact O-CA 3.49Å; L407-Q410 PolarHBondContact O-N 3.16Å; L407-G411 PolarHBondContact O-N 3.16Å; L407-L412 HydrophobicContact CG-CB 4.28Å
408A82.7Confident79.7Confident75 Ų75101.5 Ų101.562%0.6260%0.597SS**Hα-helixtrans-60-28.7176.100000113.4S404 Q410S404-A408 WeakPolarHBondContact O-CB 3.39Å; S404-A408 PolarHBondContact O-N 2.91Å; A408-Q410 VanDerWaalsContact C-N 3.33Å
409K81.5Confident79.9Confident178 Ų178102.3 Ų102.377%0.77460%0.6SS**Hα-helixtrans-75.8-18173-74.7169-174.8168.90113.7A405 S406 L407A405-K409 WeakPolarHBondContact O-CD 2.89Å; A405-K409 VanDerWaalsContact O-CG 3.29Å; A405-K409 WeakPolarHBondContact O-CG 2.97Å; A405-K409 PolarHBondContact O-N 3.08Å; S406-K409 PolarHBondContact O-N 3.27Å; L407-K409 PolarHBondContact O-N 2.91Å
410Q76.3Confident79.7Confident157 Ų157102.9 Ų102.973%0.73461%0.608SS**Hα-helixtrans-92.8-6.3175.2-68.1-173.5-18.500113.1S406 L407 A408S406-Q410 PolarHBondContact O-N 3.03Å; L407-Q410 WeakPolarHBondContact O-CA 3.49Å; L407-Q410 PolarHBondContact O-N 3.16Å; A408-Q410 VanDerWaalsContact C-N 3.33Å
411G66.9Low79.6Confident69 Ų69106.8 Ų106.871%0.71162%0.62SS**THydrogen-bonded Turntrans75.731.1174.500000114.4L407L407-G411 PolarHBondContact O-N 3.16Å
412L49.4Very low79.3Confident191 Ų191105.5 Ų105.5100%162%0.617SS**  trans-97.70173.7-129.477.3000111.7L407L407-L412 HydrophobicContact CG-CB 4.28Å

Retrieved 412 of 412 residues in 61.5 ms (Link to these results)