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Isoform Fetal-tau 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 P10636-2 (canonical: P10636), Species HUMAN (Homo sapiens, Human), Gene MAPT, Length 352 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
1M45.2Very low48.6Very low238 Ų238158.8 Ų158.8100%1.17280%0.795SS**  0132.20-43.8-46.8-171.500107.3
2A46.7Very low48.1Very low94 Ų94157.8 Ų157.878%0.77779%0.786SS**  cis-179.8135.5-1900000104.1
3E53Low48Very low155 Ų155157.6 Ų157.672%0.72479%0.79SS**  trans-16.3161.6147.6-79.3-81.612300117.8
4P56.9Low48.1Very low109 Ų109156.9 Ų156.971%0.70878%0.782SS**  cis-138.8179.126.638.1-18.1000118.3
5R48.1Very low47.7Very low171 Ų171153.3 Ų153.365%0.64579%0.786SS**  trans-70.4164.3166-59.9179.1166.3-156.7-5114.7E7R5-E7 HydrophobicContact CB-CG 4.37Å; R5-E7 WeakPolarHBondContact CD-OE1 3.5Å; R5-E7 IonicContact CZ-OE1 3.61Å; R5-E7 IonicContact NE-OE1 3.78Å; R5-E7 IonicContact NH1-OE1 2.67Å; R5-E7 PolarHBondContact NH1-OE1 3.37Å
6Q53.2Low47.6Very low182 Ų182145.8 Ų145.885%0.8576%0.758SS**  trans-158.6122.9136.4-98.3141.491.800104.8
7E42Very low47.2Very low139 Ų139145.1 Ų145.165%0.6576%0.762SS**  cis72.282.935.4-59.4-170.9-166.500114.7R5R5-E7 HydrophobicContact CB-CG 4.37Å; R5-E7 WeakPolarHBondContact CD-OE1 3.5Å; R5-E7 IonicContact CZ-OE1 3.61Å; R5-E7 IonicContact NE-OE1 3.78Å; R5-E7 IonicContact NH1-OE1 2.67Å; R5-E7 PolarHBondContact NH1-OE1 3.37Å
8F49.5Very low47Very low194 Ų194148.7 Ų148.785%0.85177%0.766SS**  trans-130.4120.8130.363.5-82.7000104.1
9E39Very low46.5Very low178 Ų178144.8 Ų144.883%0.83277%0.766SS**  cis77.713946.7-135.9-169174.600113.9
10V45.4Very low46.2Very low111 Ų111146.8 Ų146.867%0.67378%0.776SS**  trans-44149.8-160.7-63.60000118.8
11M55.8Low46Very low176 Ų176142.4 Ų142.487%0.86777%0.766SS**  -145.8125.6120.9-154.567.9-174.900109.8
12E42.2Very low45.9Very low146 Ų146139.3 Ų139.368%0.68276%0.755SS**  trans-78.6137.6166-74.9165.271.700108.9
13D47.3Very low45.9Very low156 Ų156145.9 Ų145.983%0.83476%0.759SS**  trans-135.8120.7162-125.2-36.3000110.6
14H49Very low45.7Very low148 Ų148148.1 Ų148.169%0.68577%0.766SS**  trans-72.6131.1-153.8-54.9-75000113.8G16H14-G16 PolarHBondContact O-N 3.32Å
15A41.6Very low45.3Very low102 Ų102149.4 Ų149.484%0.84377%0.767SS**  trans-71.671162.500000110.7T17A15-T17 PolarHBondContact O-N 3.07Å
16G46.3Very low44.9Very low33 Ų33150.4 Ų150.434%0.3478%0.779SS.*  trans-64.1115.3-173.500000113.4H14 Y18H14-G16 PolarHBondContact O-N 3.32Å; G16-Y18 WeakPolarHBondContact O-CD2 3.12Å; G16-Y18 PolarHBondContact O-N 3.01Å
17T40.5Very low44.4Very low135 Ų135143.5 Ų143.583%0.82876%0.757SS**  trans-81.3102.7178.262.60000110.8A15A15-T17 PolarHBondContact O-N 3.07Å
18Y44.3Very low44.5Very low210 Ų210140.1 Ų140.182%0.82476%0.759SS**  trans-125.482.8176.8-44.5-65.6000111.4G16G16-Y18 WeakPolarHBondContact O-CD2 3.12Å; G16-Y18 PolarHBondContact O-N 3.01Å
19G38.2Very low44Very low75 Ų75141.5 Ų141.577%0.77376%0.761SS**  trans-87.4111.4167.600000110.7
20L40.7Very low44.7Very low183 Ų183139 Ų13996%0.95876%0.758SS**  trans-172.5131.7159.5-109.9162.9000112.3
21G42.1Very low45.1Very low56 Ų56141 Ų14158%0.57776%0.762SS**  trans103.897.6159.300000116.3R23G21-R23 PolarHBondContact O-N 2.84Å
22D42.8Very low44.7Very low173 Ų173141.3 Ų141.393%0.92576%0.76SS**  trans-47.9122.6163.5-59.6-108.2000111.7
23R46.6Very low44.9Very low232 Ų232142 Ų14288%0.87576%0.764SS**  trans-134.4118.8169-137.4176.4-65.1-171.62.8109.3G21 D25G21-R23 PolarHBondContact O-N 2.84Å; R23-D25 PolarHBondContact O-N 2.67Å
24K48.8Very low44.9Very low201 Ų201141.6 Ų141.687%0.87476%0.761SS**  trans-64.1126-173.7-68177.3177.7177.10110.4Q26K24-Q26 PolarHBondContact O-N 2.89Å
25D47.7Very low44.4Very low136 Ų136143.8 Ų143.873%0.72777%0.772SS**  trans-67.1128.6173.2-177.825000111.1R23 G27R23-D25 PolarHBondContact O-N 2.67Å; D25-G27 PolarHBondContact OD1-N 3.18Å
26Q39.9Very low44.5Very low192 Ų192148.1 Ų148.190%0.89778%0.775SS**  trans-146.959.2167.2-78.7-168.598.900108.3K24K24-Q26 PolarHBondContact O-N 2.89Å
27G43.2Very low44.4Very low37 Ų37149.5 Ų149.538%0.38179%0.79SS.*  trans-109.355.8178.700000114D25 Y29D25-G27 PolarHBondContact OD1-N 3.18Å; G27-Y29 PolarHBondContact O-N 2.98Å; G27-Y29 VanDerWaalsContact O-N 3.09Å
28G43.4Very low44.4Very low68 Ų68151.7 Ų151.770%0.70180%0.796SS**  trans-66.4105.6-176.800000113.7T30G28-T30 PolarHBondContact O-N 3.25Å; G28-T30 PolarHBondContact O-OG1 2.86Å
29Y38.7Very low45.1Very low223 Ų223148.1 Ų148.188%0.87580%0.796SS**  trans-60.2106.6177.8-37.8-80.2000110.9G27G27-Y29 PolarHBondContact O-N 2.98Å; G27-Y29 VanDerWaalsContact O-N 3.09Å
30T54.2Low45.3Very low125 Ų125152.3 Ų152.377%0.76780%0.801SS**PPolyproline II helixtrans-91.9126.9174.8-59.40000108.7G28 H32G28-T30 PolarHBondContact O-N 3.25Å; G28-T30 PolarHBondContact O-OG1 2.86Å; T30-H32 PolarHBondContact O-N 3.47Å
31M53.1Low45.6Very low154 Ų154148.1 Ų148.176%0.75979%0.793SS**PPolyproline II helixtrans-62126.1177.7-68.7-71.8-71.900110Q33M31-Q33 PolarHBondContact O-N 3.02Å
32H47.5Very low45.6Very low182 Ų182148.8 Ų148.884%0.84380%0.8SS**PPolyproline II helixtrans-69.3123.5160.1-75.8-104.4000107.8T30T30-H32 PolarHBondContact O-N 3.47Å
33Q46.5Very low46.1Very low161 Ų161148.8 Ų148.875%0.75280%0.799SS**  trans-148.6115.5171.2-156.2151.4100.400108.4M31M31-Q33 PolarHBondContact O-N 3.02Å
34D48Very low46.1Very low147 Ų147145.9 Ų145.979%0.78679%0.793SS**  trans-60.5140.9-160.1-47.2-74.6000113.4
35Q39.6Very low46Very low195 Ų195141 Ų14191%0.91179%0.79SS**  trans-115.984.5171.2-77.4-167.2-15.700111
36E42.4Very low46.1Very low192 Ų192142.3 Ų142.390%0.89779%0.791SS**  trans-86.2143.1149.1-56.5177.3-179.300107.4
37G43.6Very low46.4Very low63 Ų63141.8 Ų141.865%0.64979%0.789SS**  cis17598.6-6.800000109.9T39G37-T39 PolarHBondContact O-N 3.33Å; G37-T39 VanDerWaalsContact O-N 3.11Å
38D42Very low46.6Very low180 Ų180144.6 Ų144.696%0.96381%0.809SS**  trans-69.3106.3-175.8-85.9-46.1000112.2
39T58.1Low46.8Very low135 Ų135145.1 Ų145.183%0.82881%0.814SS**  trans-132.4129.7165.544.60000110.5G37G37-T39 PolarHBondContact O-N 3.33Å; G37-T39 VanDerWaalsContact O-N 3.11Å
40D42.1Very low47.5Very low163 Ų163142.4 Ų142.487%0.87281%0.813SS**  trans-77.4125.1-175.5-175.1109.8000111.8
41A48.6Very low47.5Very low95 Ų95140 Ų14079%0.78581%0.813SS**  trans-165.494157.800000111.2
42G40.9Very low47.3Very low71 Ų71139.5 Ų139.573%0.73281%0.814SS**  trans-86.5120.8174.900000113.2
43L52.8Low47.9Very low173 Ų173137.3 Ų137.391%0.90681%0.813SS**  trans-133.7123.7164.1-77.7-179.5000113.6
44K47.3Very low48.4Very low170 Ų170135 Ų13574%0.73981%0.812SS**  trans-21.9127.1160.9-172.1-174179.3-1430115.6E46K44-E46 IonicContact NZ-OE2 3.15Å; K44-E46 PolarHBondContact NZ-OE2 3.08Å
45A46.5Very low48.5Very low98 Ų98132.4 Ų132.481%0.8181%0.805SS**  trans-89.3143.9165.800000111.5
46E50.4Low49.3Very low164 Ų164130.6 Ų130.677%0.76680%0.801SS**  trans-145.1159.2169.7-156.5167.5139.300110.2K44K44-E46 IonicContact NZ-OE2 3.15Å; K44-E46 PolarHBondContact NZ-OE2 3.08Å
47E45.2Very low50Low181 Ų181128.9 Ų128.985%0.84679%0.793SS**  trans-58.9152.7-156.3-164.4163.6133.600120.7
48A47.9Very low50.8Low96 Ų96132.5 Ų132.579%0.79380%0.798SS**  trans51.4130.9152.500000123.2
49G47.7Very low51.6Low80 Ų80132.9 Ų132.983%0.82579%0.794SS**  trans-166.496.6159.600000110.7
50I53Low51.4Low165 Ų165130.3 Ų130.385%0.84679%0.786SS**  trans-81.6137.2-178.9-58166.8000109.4
51G54.3Low52.1Low74 Ų74127.2 Ų127.276%0.76378%0.783SS**  trans-159.385.4-179.400000113.5
52D49.9Very low52.2Low145 Ų145126.2 Ų126.278%0.77578%0.782SS**  trans-79.1118.5174.5-69-68.5000112.3
53T59.7Low52.6Low136 Ų136130.8 Ų130.883%0.83478%0.784SS**  trans-147.9106.6157.253.60000111.7
54P56.3Low52.6Low112 Ų112127.8 Ų127.873%0.72777%0.773SS**  trans-86.6118.2164.132-29000110.5
55S51.1Low52.8Low92 Ų92126 Ų12664%0.64378%0.777SS**  trans-91.5144.3165.31570000109.5E57S55-E57 PolarHBondContact OG-OE1 3.07Å
56L55.3Low52.6Low158 Ų158129.8 Ų129.883%0.82778%0.777SS**  trans-140.673.8-165-75.8169.3000110.5
57E56.7Low52.3Low156 Ų156126.7 Ų126.773%0.72978%0.779SS**  trans-162.6140.4-177.851-127.1111.500109.8S55S55-E57 PolarHBondContact OG-OE1 3.07Å
58D61.3Low52.1Low139 Ų139129 Ų12974%0.74378%0.781SS**  cis-152140.6-10.8179.330.7000108.7
59E58.5Low52Low187 Ų187132.1 Ų132.187%0.87478%0.78SS**  trans-133.976.1-175.3-96.3-75.6179.400109.7
60A54.3Low51.8Low81 Ų81134.3 Ų134.367%0.66978%0.778SS**  trans-133.132.1-162.800000116
61A56Low51.6Low98 Ų98131.6 Ų131.681%0.8177%0.773SS**  trans-154139162.500000111.8
62G50.5Low51.4Low74 Ų74136.5 Ų136.576%0.76377%0.774SS**  cis154.3548.200000112.2
63H49.2Very low51.1Low167 Ų167134 Ų13477%0.77377%0.767SS**  trans24.1108163.2173.6-75000118.1
64V53Low50.7Low111 Ų111136.2 Ų136.267%0.67377%0.765SS**  -152.9118.2119.4161.30000108.2Q66V64-Q66 HydrophobicContact CG1-CG 4.04Å
65T51.7Low50.1Low133 Ų133137.4 Ų137.482%0.81677%0.766SS**  trans-100126.3159.9390000109.2
66Q43.4Very low49.9Very low177 Ų177136.9 Ų136.983%0.82777%0.774SS**  trans-129.5107.6164.6-79-152.961.900110.7V64V64-Q66 HydrophobicContact CG1-CG 4.04Å
67A42.5Very low49.2Very low98 Ų98136.8 Ų136.881%0.8178%0.781SS**  trans-100.9113.2170.900000109.8
68R42.2Very low48.5Very low231 Ų231132.8 Ų132.887%0.87278%0.781SS**  trans-154.196.8168.8-159.5173.1-172.7168.12.7109.8
69M46.1Very low47.6Very low160 Ų160131.2 Ų131.279%0.78878%0.781SS**  6989.971.6-70.7-76.3-166.500115.7
70V42.9Very low47.3Very low127 Ų127129.8 Ų129.877%0.7778%0.779SS**  70.2147.7128-179.50000120.8
71S49.6Very low47Very low107 Ų107132.3 Ų132.375%0.74878%0.782SS**  trans98.9151.4161.184.30000116.7
72K48.5Very low47.1Very low178 Ų178137.4 Ų137.477%0.77479%0.786SS**  cis-160.3157.515.6-158.3-175174.5-176.20114.7
73S45.3Very low46.6Very low91 Ų91143.3 Ų143.364%0.63679%0.79SS**  trans70.3152.8151.536.10000117.8
74K50.7Low46.6Very low183 Ų183139.8 Ų139.880%0.79679%0.79SS**  cis-155.9129.140.6-165.7171.6-177.8173.70117.4
75D44Very low46.2Very low138 Ų138144.1 Ų144.174%0.73880%0.8SS**  trans19.5136.4139.5-36.3-38.2000122.6
76G46.1Very low45.5Very low80 Ų80141.6 Ų141.683%0.82580%0.8SS**  trans-166.6131.2163.300000112.4
77T40.2Very low45.7Very low156 Ų156138 Ų13896%0.95780%0.8SS**  trans-104.1146.1-163.9-47.20000114.1
78G42.3Very low45.6Very low72 Ų72141.1 Ų141.174%0.74280%0.803SS**  trans-177.5142.8165.700000114.7
79S43.7Very low45.8Very low106 Ų106133.9 Ų133.974%0.74180%0.801SS**  trans-86.8178.9178.4-510000111.6
80D50.8Low45.7Very low157 Ų157135.7 Ų135.784%0.8480%0.804SS**  cis-154.8174.533.1-86.8-63.5000114.5
81D49Very low45.9Very low134 Ų134136.3 Ų136.372%0.71781%0.809SS**  trans-59150.4-176.7-79.8-88.3000119
82K56.9Low45.8Very low206 Ų206141.2 Ų141.290%0.89682%0.816SS**  -173.393.4121.3-95143.6-160.7155.50116.4
83K41.6Very low45.3Very low197 Ų197140.8 Ų140.886%0.85782%0.821SS**  32.8134.7126.8-168.9175-178.5177.70122.3
84A48.6Very low45.5Very low93 Ų93141.1 Ų141.177%0.76983%0.829SS**  trans86.6152.5154.300000120.2
85K43.6Very low45.4Very low203 Ų203138.3 Ų138.388%0.88383%0.827SS**  cis-171.7118.6-26.3174.2-173.3175.2-173.30111.3
86G38.4Very low45.7Very low79 Ų79137.8 Ų137.881%0.81483%0.831SS**  trans71.7173.416300000116.3
87A46.6Very low45.3Very low101 Ų101146.1 Ų146.184%0.83584%0.838SS**  cis-155.7164.7-8.100000111.1
88D40.4Very low45.6Very low164 Ų164142.1 Ų142.188%0.87783%0.828SS**  trans-69.2152.7-171.8-54.2-110.8000116.4
89G47.2Very low45.8Very low79 Ų79143.8 Ų143.881%0.81484%0.835SS**  trans-148.5134.8168.800000112.9
90K44.3Very low46Very low199 Ų199143.3 Ų143.387%0.86584%0.837SS**  trans-128.2123.3-175.1-69.9172.6178.8166.40113.1
91T46.1Very low46.3Very low140 Ų140141.6 Ų141.686%0.85984%0.835SS**  trans-151.4117.7156.633.10000107.2
92K48.3Very low46.3Very low209 Ų209141.7 Ų141.791%0.90984%0.843SS**  70.7118.959.8-74.2-145.9175.1-173.30114.8
93I37.7Very low45.5Very low169 Ų169135.3 Ų135.387%0.86784%0.835SS**  trans-86.3147.7178.9-62.9158.4000110.2
94A49.3Very low45.9Very low98 Ų98133.4 Ų133.481%0.8183%0.83SS**  trans-145.4148.5162.200000111.2
95T47.5Very low45.3Very low124 Ų124138 Ų13876%0.76183%0.832SS**  trans-140.1131.9177.6-47.40000109.4
96P51.4Low44.9Very low127 Ų127131.8 Ų131.883%0.82583%0.826SS**  trans-108.5173.9162.435-25.4000112.4
97R38.7Very low45.5Very low255 Ų255137.1 Ų137.196%0.96283%0.83SS**  trans-141.9139.7-158.2172.8-175178-176.80111.9
98G46.5Very low45Very low73 Ų73137.5 Ų137.575%0.75383%0.833SS**  trans131.2156.417500000111.9
99A46.4Very low45Very low107 Ų107137.5 Ų137.588%0.88483%0.833SS**  cis-150.7-176.7-9.900000109.6
100A46.3Very low44.9Very low96 Ų96137.8 Ų137.879%0.79383%0.827SS**  trans-76.1157.2-168.800000115.3
101P57.6Low45.1Very low121 Ų121134.4 Ų134.479%0.78682%0.823SS**  trans-94.3173.7-176.242.3-39.2000112.7
102P48.4Very low45Very low135 Ų135139.3 Ų139.388%0.87783%0.826SS**  -150.6169.889.540.1-23.4000115.4
103G40.8Very low45.2Very low72 Ų72136.3 Ų136.374%0.74282%0.818SS**  trans155.697.7158.400000120.4
104Q49.2Very low45.5Very low158 Ų158133.4 Ų133.474%0.73881%0.811SS**  trans40.8124.5140.1-61.3-165.833.500123.8
105K35.9Very low45.3Very low188 Ų188133.4 Ų133.482%0.81781%0.811SS**  trans74126135-66.9167.9-179.21580120.4
106G35.8Very low45.2Very low73 Ų73137.1 Ų137.175%0.75382%0.816SS**  trans133.3130.7168.300000110.8
107Q51.7Low44.8Very low192 Ų192137.3 Ų137.390%0.89782%0.815SS**  cis-138.3144.5-10.7-66.6170.7-7400108.3
108A36.1Very low45.9Very low109 Ų109130.2 Ų130.290%0.90180%0.802SS**  trans-75.4132.616600000108.7
109N40.6Very low45.6Very low164 Ų164132.9 Ų132.988%0.87781%0.807SS**  trans-127.4138.9171.6-152.5-6.1000109.7
110A45.4Very low45.7Very low84 Ų84132.7 Ų132.769%0.69481%0.805SS**  trans-104.2144-166.100000111.9
111T47.1Very low45.4Very low128 Ų128133.4 Ų133.479%0.78580%0.802SS**  trans-139.284164-55.30000109I113T111-I113 HydrophobicContact CG2-CG1 4.16Å; T111-I113 PolarHBondContact O-N 3.16Å
112R45Very low44.7Very low244 Ų244136.5 Ų136.592%0.92180%0.803SS**  trans-88.486.7-178.4-164.3-178-161.1-136.76.7109.2
113I52.1Low44.3Very low145 Ų145136.2 Ų136.274%0.74480%0.798SS**PPolyproline II helixtrans-64.3130.7-178.1-58.6179.8000109.7T111T111-I113 HydrophobicContact CG2-CG1 4.16Å; T111-I113 PolarHBondContact O-N 3.16Å
114P43.1Very low44.6Very low109 Ų109138.9 Ų138.971%0.70880%0.802SS**PPolyproline II helixtrans-80.7136.1-175.231.3-34.8000112.5
115A45Very low44.5Very low98 Ų98136.9 Ų136.981%0.8180%0.803SS**PPolyproline II helixtrans-71.5130.4170.900000111
116K45.7Very low44.5Very low201 Ų201133.3 Ų133.387%0.87480%0.802SS**PPolyproline II helixtrans-102120170-76.8-175.4174.9-179.90109.9
117T43.8Very low44.8Very low131 Ų131135.8 Ų135.880%0.80481%0.808SS**PPolyproline II helixtrans-94.5125.4177.4-45.90000111.1
118P60.8Low44.1Very low107 Ų107130.2 Ų130.270%0.69580%0.802SS**PPolyproline II helixtrans-92.3139.7161.634.2-29.6000111
119P41.6Very low44.3Very low129 Ų129133.8 Ų133.884%0.83880%0.8SS**PPolyproline II helixtrans-83.5134.2175.832.4-32.8000112
120A49.1Very low44.9Very low103 Ų103131 Ų13185%0.85179%0.791SS**  trans-120.3123.1175.700000111
121P39Very low44.9Very low111 Ų111132.9 Ų132.972%0.72180%0.796SS**  trans-104.5169.2-177.938.8-34.8000114.4
122K43.3Very low44.4Very low186 Ų186136 Ų13681%0.80980%0.798SS**  trans93.896.1161.9-56178.9-178.3178.50119.3
123T39.9Very low44.2Very low128 Ų128130.1 Ų130.179%0.78580%0.795SS**  47.2134.7127.855.80000122.2
124P47.4Very low43.8Very low128 Ų128126.3 Ų126.383%0.83179%0.792SS**  -118.8173111.36.513.2000113.2
125P45.6Very low43.8Very low116 Ų116128 Ų12875%0.75379%0.794SS**  trans-121.1170.6-155.443-33.5000117.7
126S36.4Very low43.4Very low114 Ų114133.7 Ų133.780%0.79780%0.795SS**  trans57.8108.5146.4-163.70000120.2
127S42.2Very low42.9Very low124 Ų124129.5 Ų129.587%0.86779%0.791SS**  trans-89.9121152.655.40000110
128G37.5Very low42.4Very low75 Ų75126.9 Ų126.977%0.77379%0.79SS**  trans-109.1131.1-176.800000115.1
129E40.7Very low41.7Very low184 Ų184132.2 Ų132.286%0.8680%0.798SS**  trans-81177.5150.2-72.1-170.389.800110.6
130P51.8Low41.8Very low106 Ų106130.6 Ų130.669%0.68879%0.789SS**  cis-113-102.3-3.322.52.7000111.6
131P45.9Very low41.6Very low123 Ų123131.2 Ų131.280%0.79979%0.788SS**  cis-96.8-158.2-1.440.5-34.5000114
132K37.8Very low41.8Very low193 Ų193131.5 Ų131.584%0.83979%0.79SS**  trans-120153.2179.3-58.7158.2177.6168.30111.6
133S40.6Very low41.4Very low122 Ų122126.8 Ų126.885%0.85379%0.794SS**  trans-174.8137.7139.314.50000107.4
134G42.4Very low41.7Very low65 Ų65125.9 Ų125.967%0.6779%0.793SS**  95.7134.876.100000108.6
135D44.2Very low41.8Very low143 Ų143126 Ų12677%0.76579%0.794SS**  cis-148.1145-5.1-91-74.5000107.1
136R36.1Very low41.6Very low218 Ų218123.6 Ų123.682%0.82379%0.79SS**  69122.667.8-150.3-179.7-169178.42.3113.8
137S35.8Very low42.4Very low114 Ų114125 Ų12580%0.79779%0.794SS**  trans56.8111.9164.949.20000120.6
138G32.9Very low42.5Very low75 Ų75125.1 Ų125.177%0.77379%0.791SS**  92.3102.6102.900000120.2
139Y45.6Very low42.9Very low219 Ų219125.3 Ų125.386%0.85979%0.794SS**  -137.5130119.484.4-81000107.1
140S44.2Very low43.5Very low95 Ų95122.2 Ų122.266%0.66479%0.792SS**  cis9177.145.2-61.80000113.6
141S43.7Very low43.6Very low117 Ų117126.5 Ų126.582%0.81880%0.795SS**  78.1157.7128.6-59.20000119.7
142P44.8Very low44.2Very low117 Ų117125.8 Ų125.876%0.7679%0.793SS**  trans-100.5147.9-154.337.3-34.3000115.7
143G34.1Very low45.1Very low87 Ų87126 Ų12690%0.89779%0.788SS**  trans-98.389.2174.400000113.1
144S45.8Very low45.8Very low109 Ų109125.9 Ų125.976%0.76278%0.782SS**  trans-37.9168.9174-65.50000119.7
145P49.4Very low46.7Very low131 Ų131128.7 Ų128.785%0.85179%0.789SS**  trans-118.6175.1-14642.9-34000115.7
146G41.3Very low47.3Very low65 Ų65127.5 Ų127.567%0.6779%0.792SS**  trans153.1138.1148.100000116.6
147T54.5Low48.8Very low144 Ų144124.6 Ų124.688%0.88379%0.792SS**  -165.9150.4113.618.30000110.2
148P44.2Very low50Low125 Ų125124.9 Ų124.981%0.81279%0.791SS**  trans-91.9124.4-166.833.6-33.2000113.9
149G45.2Very low51.2Low80 Ų80127.3 Ų127.383%0.82579%0.791SS**  trans-100.1118.2171.300000112.4R151G149-R151 PolarHBondContact O-N 2.85Å
150S52.9Low52.4Low119 Ų119121.8 Ų121.883%0.83278%0.782SS**  trans-77.3113-174-78.80000114.4
151R54.9Low53.3Low195 Ų195123.4 Ų123.474%0.73679%0.79SS**  trans33.9104.8141.5-61.9176.1179.4168.11.9117.6G149G149-R151 PolarHBondContact O-N 2.85Å
152S58.7Low53.6Low108 Ų108123.9 Ų123.976%0.75579%0.788SS**  trans-92.8142.4132.6-174.70000108.9
153R54.9Low54.3Low197 Ų197129.7 Ų129.774%0.74380%0.795SS**  trans-125.776.1179.5-78.1-177.1168.4-176.7-4.8110.1
154T56.3Low55.6Low120 Ų120133.4 Ų133.474%0.73679%0.789SS**PPolyproline II helixtrans-95.5121.6174.148.90000110.5
155P60.9Low56Low124 Ų124133.1 Ų133.181%0.80579%0.785SS**PPolyproline II helixtrans-70.7148.8175.930-34.3000111.6
156S58Low56.1Low118 Ų118136.3 Ų136.383%0.82579%0.785SS**PPolyproline II helixtrans-88.4127.6-174.951.80000113.3
157L66.8Low56.8Low157 Ų157143 Ų14382%0.82280%0.796SS**PPolyproline II helixtrans-76.3162.4165.7-110.265.4000111.5
158P60.3Low56.5Low121 Ų121142 Ų14279%0.78679%0.79SS**PPolyproline II helixtrans-73.3138.9-170.429.8-34.3000113.1
159T59.7Low57.1Low125 Ų125140 Ų14077%0.76778%0.783SS**PPolyproline II helixtrans-79.5128.7-171.9-34.10000112.5
160P69Low58Low104 Ų104141.3 Ų141.368%0.67578%0.775SS**PPolyproline II helixtrans-68.6158.6166.829.9-34.3000111.4T162P160-T162 PolarHBondContact O-N 3.37Å
161P64.3Low58.5Low128 Ų128141.6 Ų141.683%0.83177%0.771SS**PPolyproline II helixtrans-61.8131.9-169.122.6-33.9000113.7R163P161-R163 PolarHBondContact O-N 3.27Å; P161-R163 VanDerWaalsContact O-N 3.13Å
162T49.5Very low59Low127 Ų127142.5 Ų142.578%0.77978%0.775SS**  trans-69.5102.3-178.747.70000111.9P160 E164P160-T162 PolarHBondContact O-N 3.37Å; T162-E164 PolarHBondContact O-N 3.06Å; T162-E164 VanDerWaalsContact O-N 3.08Å
163R60.3Low59.5Low240 Ų240142.6 Ų142.691%0.90677%0.771SS**  trans-70.599.9164.2-84.9-88.9179.4-177.9-3.4109.9P161P161-R163 PolarHBondContact O-N 3.27Å; P161-R163 VanDerWaalsContact O-N 3.13Å
164E61.6Low60.4Low164 Ų164138.4 Ų138.477%0.76677%0.769SS**  trans-53.9167.3165.269-151.9121.700114.5T162T162-E164 PolarHBondContact O-N 3.06Å; T162-E164 VanDerWaalsContact O-N 3.08Å
165P53.4Low61.2Low103 Ų103138.4 Ų138.467%0.66977%0.771SS**  -95.9-177.9-55.536.5-30.8000110K167P165-K167 PolarHBondContact O-N 3.23Å
166K51.6Low61.6Low198 Ų198142.3 Ų142.386%0.86178%0.776SS**  trans-46126.6167-64.1167.6-177.71720108.9V168K166-V168 PolarHBondContact O-N 3.12Å
167K55.4Low62.5Low205 Ų205141.7 Ų141.789%0.89177%0.771SS**  trans-40.5119.5179.9-75.9-176.2177.4179.80109.3P165 A169P165-K167 PolarHBondContact O-N 3.23Å; K167-A169 PolarHBondContact O-N 3Å
168V48.1Very low63.1Low125 Ų125140 Ų14076%0.75877%0.77SS**  trans-66.690.7172.5-179.90000106.6K166 V170K166-V168 PolarHBondContact O-N 3.12Å; V168-V170 VanDerWaalsContact C-N 3.3Å; V168-V170 PolarHBondContact O-N 3.42Å
169A57.3Low63.8Low81 Ų81140.1 Ų140.167%0.66977%0.773SS**  trans-62.2100.2169.500000105.8K167 V171K167-A169 PolarHBondContact O-N 3Å; A169-V171 PolarHBondContact O-N 3.45Å
170V64.4Low64.3Low108 Ų108139 Ų13966%0.65577%0.771SS**  trans-47.6115.2177.6172.60000106.8V168 R172V168-V170 VanDerWaalsContact C-N 3.3Å; V168-V170 PolarHBondContact O-N 3.42Å; V170-R172 HydrophobicContact CG1-CG 4.5Å; V170-R172 PolarHBondContact O-N 3.1Å
171V62.6Low64.3Low126 Ų126138.1 Ų138.176%0.76477%0.772SS**  trans-71.479.5-178.1-176.70000107.3A169 T173A169-V171 PolarHBondContact O-N 3.45Å; V171-T173 PolarHBondContact O-N 3.26Å
172R65.8Low64.5Low213 Ų213141.9 Ų141.980%0.80478%0.776SS**  trans-62.295.6159.4-74.3-173.5165.894-1.1105.1V170V170-R172 HydrophobicContact CG1-CG 4.5Å; V170-R172 PolarHBondContact O-N 3.1Å
173T70Confident65.3Low110 Ų110140.9 Ų140.968%0.67577%0.773SS**  trans-47.9127.3167.638.80000107.4V171 P175V171-T173 PolarHBondContact O-N 3.26Å; T173-P175 VanDerWaalsContact O-N 3.16Å
174P72.9Confident65.8Low109 Ų109140.3 Ų140.371%0.70877%0.771SS**  trans-51.8127.7173.4-26.534.7000107.9K176P174-K176 PolarHBondContact O-N 3.4Å
175P72.4Confident66.1Low120 Ų120140.2 Ų140.278%0.77978%0.775SS**  trans-61.3107.5-172.223.3-32.9000108.4T173 S177T173-P175 VanDerWaalsContact O-N 3.16Å; P175-S177 VanDerWaalsContact C-N 3.29Å; P175-S177 PolarHBondContact O-N 3.04Å
176K70.6Confident66.9Low207 Ų207144.2 Ų144.290%0.979%0.785SS**  trans-69.791.3177-76.8-173.1175.7-178.20107.9P174P174-K176 PolarHBondContact O-N 3.4Å
177S77.4Confident67.8Low104 Ų104141.4 Ų141.473%0.72778%0.784SS**PPolyproline II helixtrans-48.5132.7163.8-49.80000108.6P175 S179P175-S177 VanDerWaalsContact C-N 3.29Å; P175-S177 PolarHBondContact O-N 3.04Å; S177-S179 PolarHBondContact O-N 2.7Å
178P79Confident68.6Low123 Ų123135.6 Ų135.680%0.79978%0.775SS**PPolyproline II helixtrans-58.5128.217225.2-32.9000108.4S180P178-S180 PolarHBondContact O-N 3.08Å; P178-S180 VanDerWaalsContact O-N 3.09Å
179S73.7Confident69.7Low122 Ų122135.3 Ų135.385%0.85378%0.775SS**PPolyproline II helixtrans-60.9117.5178.4-171.90000108.7S177 A181S177-S179 PolarHBondContact O-N 2.7Å; S179-A181 PolarHBondContact O-N 3.04Å
180S71.2Confident70.5Confident102 Ų102137.6 Ų137.671%0.71378%0.781SS**  trans-70.999.6-174.1-174.70000110P178 K182P178-S180 PolarHBondContact O-N 3.08Å; P178-S180 VanDerWaalsContact O-N 3.09Å; S180-K182 PolarHBondContact O-N 3.32Å; S180-K182 VanDerWaalsContact O-N 3.09Å
181A69.6Low71.3Confident86 Ų86138 Ų13871%0.71179%0.785SS**  trans-61.7110169.700000108.8S179 S183S179-A181 PolarHBondContact O-N 3.04Å; A181-S183 PolarHBondContact O-N 3.04Å
182K67.3Low72.2Confident207 Ų207140.7 Ų140.790%0.979%0.792SS**  trans-74.550.2-178.5-68.1-179178.5174.90112.7S180 R184S180-K182 PolarHBondContact O-N 3.32Å; S180-K182 VanDerWaalsContact O-N 3.09Å; K182-R184 PolarHBondContact O-N 3.32Å
183S67.4Low73Confident105 Ų105135.6 Ų135.673%0.73479%0.787SS**  trans-83.993.4167.5-168.70000108.9A181 L185A181-S183 PolarHBondContact O-N 3.04Å; S183-L185 PolarHBondContact O-N 3.49Å
184R70.8Confident73.7Confident228 Ų228135.1 Ų135.186%0.8678%0.78SS**  trans-72.5108.7167.4174.8176.4-76.8170-5.2107.3K182 Q186K182-R184 PolarHBondContact O-N 3.32Å; R184-Q186 PolarHBondContact O-N 3.49Å
185L66.8Low74.2Confident162 Ų162135.6 Ų135.685%0.84878%0.776SS**  trans-48.8114.5167.1-85.6160.5000109.1S183 T187S183-L185 PolarHBondContact O-N 3.49Å; L185-T187 PolarHBondContact O-N 2.98Å
186Q71.3Confident74.8Confident188 Ų188138 Ų13888%0.87977%0.774SS**PPolyproline II helixtrans-74.2118.9174.8-67.9-178.7-8.900107.9R184 A188R184-Q186 PolarHBondContact O-N 3.49Å; Q186-A188 PolarHBondContact O-N 2.84Å
187T70.3Confident75.4Confident138 Ų138134.6 Ų134.685%0.84777%0.766SS**PPolyproline II helixtrans-65.2128170.3-35.90000107.9L185L185-T187 PolarHBondContact O-N 2.98Å
188A71.5Confident75.7Confident84 Ų84135.2 Ų135.269%0.69477%0.765SS**PPolyproline II helixtrans-58.7134.1-177.200000110.8Q186 V190Q186-A188 PolarHBondContact O-N 2.84Å; A188-V190 PolarHBondContact O-N 2.73Å
189P70.3Confident75.9Confident118 Ų118138.1 Ų138.177%0.76677%0.765SS**SBendtrans-70.7123.8-179.428.1-33.1000110.3
190V74.4Confident76.4Confident130 Ų130136.5 Ų136.579%0.78875%0.754SS**SBendtrans56.3142.9176.8-63.50000117.9A188A188-V190 PolarHBondContact O-N 2.73Å
191P82.1Confident77Confident115 Ų115142 Ų14275%0.74777%0.765SS**PPolyproline II helixtrans-66.4150.9166.830.7-35.1000110.3
192M81.2Confident77.5Confident183 Ų183144.3 Ų144.390%0.90176%0.764SS**PPolyproline II helixtrans-60.3133.6174.9-64.9-156.1-60.600110.5
193P82.9Confident78Confident107 Ų107136 Ų13670%0.69574%0.737SS**PPolyproline II helixtrans-64.8140.3-179.627.1-34.7000110.8
194D83.7Confident78.3Confident99 Ų99135.6 Ų135.653%0.52973%0.734SS.*PPolyproline II helixtrans-82.3131178.1-171.637.7000112.3K196D194-K196 WeakPolarHBondContact OD1-CD 3.01Å; D194-K196 WeakPolarHBondContact OD1-CE 3.48Å; D194-K196 WeakPolarHBondContact OD1-CG 3.48Å; D194-K196 PolarHBondContact OD1-N 2.87Å; D194-K196 IonicContact OD1-NZ 2.73Å; D194-K196 PolarHBondContact OD1-NZ 2.92Å; D194-K196 VanDerWaalsContact OD1-NZ 3.15Å; D194-K196 WeakPolarHBondContact OD2-CB 3.49Å; D194-K196 WeakPolarHBondContact OD2-CG 3.3Å
195L85.2Confident78.7Confident119 Ų119129.2 Ų129.262%0.62372%0.72SS**  trans-116.69.5-178-58.1178.1000112.4N197 V198L195-N197 PolarHBondContact O-N 3.4Å; L195-V198 HydrophobicContact CB-CG2 4.25Å; L195-V198 HydrophobicContact CD2-CG2 4.27Å; L195-V198 PolarHBondContact O-N 3.28Å
196K83.4Confident79.5Confident170 Ų170128.9 Ų128.974%0.73971%0.714SS**THydrogen-bonded Turntrans-59.1-23.5-172-71.9-3.6163.2-145.40114D194D194-K196 WeakPolarHBondContact OD1-CD 3.01Å; D194-K196 WeakPolarHBondContact OD1-CE 3.48Å; D194-K196 WeakPolarHBondContact OD1-CG 3.48Å; D194-K196 PolarHBondContact OD1-N 2.87Å; D194-K196 IonicContact OD1-NZ 2.73Å; D194-K196 PolarHBondContact OD1-NZ 2.92Å; D194-K196 VanDerWaalsContact OD1-NZ 3.15Å; D194-K196 WeakPolarHBondContact OD2-CB 3.49Å; D194-K196 WeakPolarHBondContact OD2-CG 3.3Å
197N83.1Confident79.9Confident137 Ų137124.5 Ų124.573%0.73370%0.697SS**THydrogen-bonded Turntrans-110.111.4-171.2-64.3-68.6000114.1L195 K199L195-N197 PolarHBondContact O-N 3.4Å; N197-K199 PolarHBondContact O-N 3.26Å
198V84.6Confident80.5Confident116 Ų116124.6 Ų124.670%0.70369%0.692SS**  trans-70111175.9-179.70000109.8L195L195-V198 HydrophobicContact CB-CG2 4.25Å; L195-V198 HydrophobicContact CD2-CG2 4.27Å; L195-V198 PolarHBondContact O-N 3.28Å
199K83.3Confident81.3Confident184 Ų184130.5 Ų130.580%0.870%0.702SS**  trans-96.8152.2176.3-60.3-179.2-173.6176.50111N197N197-K199 PolarHBondContact O-N 3.26Å
200S83.5Confident82.1Confident88 Ų88130.8 Ų130.862%0.61569%0.693SS**  trans-64.5138171.852.30000111.6I202S200-I202 VanDerWaalsContact C-N 3.29Å
201K84.5Confident82.6Confident218 Ų218132.4 Ų132.495%0.94869%0.692SS**SBendtrans-77-13.6170.9-66-173178.5-1760113.7
202I80Confident82.7Confident134 Ų134131 Ų13169%0.68768%0.683SS**SBendtrans-81.1125.2-179.5-57.8173.5000109S200 S204S200-I202 VanDerWaalsContact C-N 3.29Å; I202-S204 PolarHBondContact O-N 3.01Å
203G77.5Confident83Confident32 Ų32126.2 Ų126.233%0.3368%0.68SS.*G310 helixtrans-67.75.8-173.100000117T205 E206G203-T205 PolarHBondContact O-N 3.42Å; G203-E206 WeakPolarHBondContact O-CB 3.49Å; G203-E206 VanDerWaalsContact O-CD 3.25Å; G203-E206 WeakPolarHBondContact O-CG 3.45Å; G203-E206 PolarHBondContact O-N 3.46Å
204S74.3Confident83.1Confident97 Ų97124.5 Ų124.568%0.67868%0.681SS**G310 helixtrans-53.4-18.5-173.6-172.60000115.3I202I202-S204 PolarHBondContact O-N 3.01Å
205T79.6Confident83.1Confident94 Ų94123.3 Ų123.358%0.57769%0.693SS**G310 helixtrans-79.7-10.817451.80000115G203 L208G203-T205 PolarHBondContact O-N 3.42Å; T205-L208 HydrophobicContact CG2-CD1 4.37Å; T205-L208 VanDerWaalsContact O-CD1 3.28Å; T205-L208 WeakPolarHBondContact O-CD1 3.5Å; T205-L208 VanDerWaalsContact O-CG 3.28Å; T205-L208 WeakPolarHBondContact O-CG 3.33Å
206E82.1Confident82.8Confident155 Ų155127.7 Ų127.772%0.72471%0.707SS**THydrogen-bonded Turntrans-73.5-36.2-178.677-155.3148.600112.5G203G203-E206 WeakPolarHBondContact O-CB 3.49Å; G203-E206 VanDerWaalsContact O-CD 3.25Å; G203-E206 WeakPolarHBondContact O-CG 3.45Å; G203-E206 PolarHBondContact O-N 3.46Å
207N80.7Confident82.7Confident97 Ų97126 Ų12652%0.51971%0.71SS.*THydrogen-bonded Turntrans-9620.4-176.8-91-63000113.9K209 H210N207-K209 PolarHBondContact O-N 3.26Å; N207-H210 HydrophobicContact CB-CB 3.99Å; N207-H210 VanDerWaalsContact O-CB 3.26Å; N207-H210 WeakPolarHBondContact O-CB 3.32Å; N207-H210 PolarHBondContact O-N 2.99Å
208L83.5Confident82.7Confident140 Ų140127.6 Ų127.673%0.73371%0.713SS**THydrogen-bonded Turntrans-58.8-11.3178.7-72.6171.6000115.4T205T205-L208 HydrophobicContact CG2-CD1 4.37Å; T205-L208 VanDerWaalsContact O-CD1 3.28Å; T205-L208 WeakPolarHBondContact O-CD1 3.5Å; T205-L208 VanDerWaalsContact O-CG 3.28Å; T205-L208 WeakPolarHBondContact O-CG 3.33Å
209K87Confident82.5Confident207 Ų207129.7 Ų129.790%0.972%0.719SS**THydrogen-bonded Turntrans-110.34.2175.3-61.7179.6-177.1174.30113.3N207 Q211N207-K209 PolarHBondContact O-N 3.26Å; K209-Q211 PolarHBondContact O-N 3.2Å; K209-Q211 VanDerWaalsContact O-N 3.1Å
210H87.3Confident82.5Confident124 Ų124125.8 Ų125.857%0.57471%0.711SS**  trans-75.897.8179.7-17397.3000110.3N207N207-H210 HydrophobicContact CB-CB 3.99Å; N207-H210 VanDerWaalsContact O-CB 3.26Å; N207-H210 WeakPolarHBondContact O-CB 3.32Å; N207-H210 PolarHBondContact O-N 2.99Å
211Q84.9Confident82.5Confident165 Ų165131 Ų13177%0.77172%0.718SS**  trans-83.5120.3160.8-169.566.544.800108K209 G213K209-Q211 PolarHBondContact O-N 3.2Å; K209-Q211 VanDerWaalsContact O-N 3.1Å; Q211-G213 PolarHBondContact O-N 2.83Å
212P84.7Confident82.6Confident86 Ų86128.9 Ų128.956%0.55871%0.709SS**  trans-59.4135.3178.522.8-33.6000111.3G214P212-G214 PolarHBondContact O-N 2.83Å
213G86.6Confident82.7Confident82 Ų82127 Ų12785%0.84571%0.705SS**  trans-70.1112.4-174.400000112.9Q211Q211-G213 PolarHBondContact O-N 2.83Å
214G84.9Confident82.9Confident70 Ų70131.1 Ų131.172%0.72272%0.724SS**  trans-79.3118.6173.500000112.7P212P212-G214 PolarHBondContact O-N 2.83Å
215G83.6Confident83.2Confident75 Ų75132.3 Ų132.377%0.77372%0.723SS**  trans-70.5148.3171.800000112.9
216K79.9Confident83.1Confident210 Ų210133.6 Ų133.691%0.91373%0.725SS**  trans-117.278.2178.3-64.2-177.6-175.2176.70110.9
217V81.8Confident82.8Confident134 Ų134130.3 Ų130.381%0.81272%0.719SS**  trans-91.8121.3174.3-177.70000109.1
218Q81.5Confident82.3Confident171 Ų171134.7 Ų134.780%0.79973%0.734SS**  trans-108.6114.4173.4-173.4172.716.400109.6V220Q218-V220 PolarHBondContact O-N 2.63Å
219I82.4Confident81.8Confident161 Ų161133.4 Ų133.483%0.82673%0.731SS**  trans-75.1115.4175.6-58.7176.6000108.4
220V83.2Confident80.9Confident102 Ų102129.3 Ų129.362%0.61872%0.724SS**  trans-94.299.9-177.5178.80000109.8Q218 K222Q218-V220 PolarHBondContact O-N 2.63Å; V220-K222 HydrophobicContact CG1-CD 4.4Å; V220-K222 HydrophobicContact CG1-CG 4.21Å; V220-K222 PolarHBondContact O-N 3.08Å
221Y82.2Confident80Confident197 Ų197128.7 Ų128.777%0.77373%0.734SS**  trans-75.9121.2174.9-173.9-116.7000111.3P223Y221-P223 HydrophobicContact CD1-CG 4.47Å; Y221-P223 HydrophobicContact CE1-CB 4.08Å; Y221-P223 HydrophobicContact CE1-CG 3.9Å
222K86.1Confident79Confident174 Ų174130.8 Ų130.876%0.75774%0.74SS**  trans-132.794.7172.8-74.2178.7179.5178.60108.7V220V220-K222 HydrophobicContact CG1-CD 4.4Å; V220-K222 HydrophobicContact CG1-CG 4.21Å; V220-K222 PolarHBondContact O-N 3.08Å
223P83Confident78.1Confident93 Ų93131.4 Ų131.460%0.60475%0.745SS**PPolyproline II helixtrans-67.4145176.828-32.7000110.6Y221Y221-P223 HydrophobicContact CD1-CG 4.47Å; Y221-P223 HydrophobicContact CE1-CB 4.08Å; Y221-P223 HydrophobicContact CE1-CG 3.9Å
224V81.4Confident76.9Confident120 Ų120131 Ų13173%0.72774%0.741SS**PPolyproline II helixtrans-89.2127.4174.5179.40000108.7L226V224-L226 HydrophobicContact CG1-CD2 4.03Å; V224-L226 HydrophobicContact CG1-CG 4.42Å
225D80.2Confident75.9Confident122 Ų122132.6 Ų132.665%0.65274%0.741SS**PPolyproline II helixtrans-77.6128.2171.1-179.126.3000110.7S227D225-S227 VanDerWaalsContact CG-OG 3.27Å; D225-S227 WeakPolarHBondContact OD1-CB 3.25Å; D225-S227 PolarHBondContact OD1-N 3.36Å; D225-S227 PolarHBondContact OD1-OG 3.31Å; D225-S227 WeakPolarHBondContact OD2-CB 3.35Å; D225-S227 PolarHBondContact OD2-OG 2.86Å
226L78.7Confident74.9Confident120 Ų120135.2 Ų135.263%0.62874%0.737SS**  trans-117.814.1178.4-61.6175.2000112.2V224 K228 V229V224-L226 HydrophobicContact CG1-CD2 4.03Å; V224-L226 HydrophobicContact CG1-CG 4.42Å; L226-K228 PolarHBondContact O-N 2.9Å; L226-V229 HydrophobicContact CB-CG2 4.26Å; L226-V229 HydrophobicContact CD2-CG2 4.28Å; L226-V229 PolarHBondContact O-N 3.5Å
227S75.5Confident74.4Confident86 Ų86128.5 Ų128.560%0.60173%0.727SS**THydrogen-bonded Turntrans-50.7-15.5-174.459.60000117.1D225D225-S227 VanDerWaalsContact CG-OG 3.27Å; D225-S227 WeakPolarHBondContact OD1-CB 3.25Å; D225-S227 PolarHBondContact OD1-N 3.36Å; D225-S227 PolarHBondContact OD1-OG 3.31Å; D225-S227 WeakPolarHBondContact OD2-CB 3.35Å; D225-S227 PolarHBondContact OD2-OG 2.86Å
228K70.2Confident73.5Confident189 Ų189128.4 Ų128.482%0.82272%0.722SS**THydrogen-bonded Turntrans-111.44-176.9-60.6176.8-173.3173.30114.2L226 T230L226-K228 PolarHBondContact O-N 2.9Å; K228-T230 PolarHBondContact O-N 2.89Å
229V72.3Confident72.9Confident113 Ų113126.4 Ų126.469%0.68572%0.715SS**  trans-85.3103.8-178.6-177.40000110.5L226L226-V229 HydrophobicContact CB-CG2 4.26Å; L226-V229 HydrophobicContact CD2-CG2 4.28Å; L226-V229 PolarHBondContact O-N 3.5Å
230T69.6Low72.7Confident122 Ų122127 Ų12775%0.74872%0.715SS**  trans-94.4135.2169.454.80000111K228K228-T230 PolarHBondContact O-N 2.89Å
231S67.1Low72.5Confident110 Ų110128.6 Ų128.677%0.76972%0.715SS**  trans-84118.5-177.148.50000111.7C233S231-C233 PolarHBondContact O-N 3.4Å
232K64.3Low72.2Confident210 Ų210128.3 Ų128.391%0.91372%0.717SS**  trans-80.831.9175.8-62.9-171.3177.3-176.50113.4G234K232-G234 PolarHBondContact O-N 3.12Å
233C66.4Low71.6Confident98 Ų98125 Ų12566%0.66271%0.714SS**  trans-82.8106.3-174.2-169.70000111.1S231 S235S231-C233 PolarHBondContact O-N 3.4Å; C233-S235 VanDerWaalsContact C-N 3.25Å; C233-S235 PolarHBondContact O-N 3.04Å
234G61.9Low71.2Confident73 Ų73124.6 Ų124.675%0.75373%0.727SS**  trans-72.269.5178.900000113.5K232 L236K232-G234 PolarHBondContact O-N 3.12Å; G234-L236 PolarHBondContact O-N 3.09Å
235S63.5Low70.9Confident104 Ų104122.7 Ų122.773%0.72773%0.731SS**THydrogen-bonded Turntrans-67.32-171.857.80000116.3C233C233-S235 VanDerWaalsContact C-N 3.25Å; C233-S235 PolarHBondContact O-N 3.04Å
236L62.1Low70.2Confident131 Ų131120.7 Ų120.769%0.68674%0.739SS**THydrogen-bonded Turntrans-102.69.1-173-60.2179.3000114.6G234 N238 I239G234-L236 PolarHBondContact O-N 3.09Å; L236-N238 VanDerWaalsContact C-N 3.29Å; L236-N238 PolarHBondContact O-N 3.48Å; L236-I239 HydrophobicContact CB-CD1 4.44Å; L236-I239 WeakPolarHBondContact O-CG1 3.14Å
237G68.5Low69.7Low68 Ų68124.5 Ų124.570%0.70175%0.754SS**THydrogen-bonded Turntrans-63.1-26.7-177.100000115.9
238N64.2Low69.5Low133 Ų133126.2 Ų126.271%0.71176%0.761SS**THydrogen-bonded Turntrans-11323.1-166.1-71.7-3.2000114.9L236 H240 H241L236-N238 VanDerWaalsContact C-N 3.29Å; L236-N238 PolarHBondContact O-N 3.48Å; N238-H240 PolarHBondContact O-N 3.37Å; N238-H241 HydrophobicContact CB-CB 4.38Å; N238-H241 WeakPolarHBondContact O-CB 3.36Å; N238-H241 PolarHBondContact O-N 3.28Å
239I68.6Low69.8Low128 Ų128124.5 Ų124.566%0.65676%0.755SS**THydrogen-bonded Turntrans-57.4-25-173.3-18.6178.5000113.9L236L236-I239 HydrophobicContact CB-CD1 4.44Å; L236-I239 WeakPolarHBondContact O-CG1 3.14Å
240H77.7Confident69.8Low175 Ų175125.5 Ų125.581%0.8176%0.761SS**THydrogen-bonded Turntrans-101.75.4-177.6-55.8136.2000114.4N238 K242N238-H240 PolarHBondContact O-N 3.37Å; H240-K242 PolarHBondContact O-N 3.45Å; H240-K242 VanDerWaalsContact O-N 3.08Å
241H78.8Confident70Confident135 Ų135127.6 Ų127.663%0.62576%0.76SS**  trans-71.4105-178.8179.7-91.9000112.1N238 P243N238-H241 HydrophobicContact CB-CB 4.38Å; N238-H241 WeakPolarHBondContact O-CB 3.36Å; N238-H241 PolarHBondContact O-N 3.28Å; H241-P243 WeakPolarHBondContact O-CD 3.26Å
242K76.5Confident70.1Confident190 Ų190126.7 Ų126.783%0.82675%0.754SS**  trans-86.3113.9164.3-64-67.7-173.5176.40108.6H240 G244H240-K242 PolarHBondContact O-N 3.45Å; H240-K242 VanDerWaalsContact O-N 3.08Å; K242-G244 PolarHBondContact O-N 3.13Å
243P74.2Confident70.8Confident106 Ų106124.1 Ų124.169%0.68875%0.745SS**  trans-68.3119.1175.427.7-32.6000110.1H241H241-P243 WeakPolarHBondContact O-CD 3.26Å
244G74Confident71Confident84 Ų84128.2 Ų128.287%0.86675%0.752SS**  trans-83.5133.9169.600000111K242K242-G244 PolarHBondContact O-N 3.13Å
245G75.5Confident71.6Confident79 Ų79129.4 Ų129.481%0.81474%0.74SS**  trans178.6161.1176.600000112.6
246G65Low72.1Confident81 Ų81129.7 Ų129.784%0.83573%0.734SS**  trans9712.3171.200000117.4V248G246-V248 VanDerWaalsContact C-N 3.3Å; G246-V248 PolarHBondContact O-N 3.1Å
247Q66.9Low72.7Confident199 Ų199129 Ų12993%0.9373%0.725SS**  trans-88.816.5-178.6-156.4164.15.200114.6
248V73Confident72.8Confident123 Ų123133.5 Ų133.575%0.74573%0.725SS**SBendtrans-132.1125.4177.2-174.30000109.3G246 V250G246-V248 VanDerWaalsContact C-N 3.3Å; G246-V248 PolarHBondContact O-N 3.1Å; V248-V250 PolarHBondContact O-N 3.42Å
249E76Confident73.4Confident152 Ų152134.8 Ų134.871%0.7173%0.732SS**  trans-72.7113.2175.9-176.7-172.5-15600110.3K251E249-K251 HydrophobicContact CG-CG 4.17Å; E249-K251 PolarHBondContact O-N 2.67Å; E249-K251 VanDerWaalsContact O-N 3.08Å; E249-K251 WeakPolarHBondContact OE2-CE 3.33Å; E249-K251 IonicContact OE2-NZ 3.69Å
250V72.1Confident73.8Confident134 Ų134139.1 Ų139.181%0.81274%0.74SS**  trans-80.989.4176.6-176.60000109.6V248 S252V248-V250 PolarHBondContact O-N 3.42Å; V250-S252 PolarHBondContact O-N 3.19Å; V250-S252 VanDerWaalsContact O-N 3.13Å
251K73.4Confident74Confident167 Ų167135.9 Ų135.973%0.72673%0.733SS**  trans-68.5104.9176.8-64.7-177.3179.2-178.10110.5E249 E253E249-K251 HydrophobicContact CG-CG 4.17Å; E249-K251 PolarHBondContact O-N 2.67Å; E249-K251 VanDerWaalsContact O-N 3.08Å; E249-K251 WeakPolarHBondContact OE2-CE 3.33Å; E249-K251 IonicContact OE2-NZ 3.69Å; K251-E253 PolarHBondContact O-N 3.34Å
252S68.9Low74.2Confident90 Ų90137.7 Ų137.763%0.62974%0.742SS**  trans-9096.817866.10000111.7V250 K254V250-S252 PolarHBondContact O-N 3.19Å; V250-S252 VanDerWaalsContact O-N 3.13Å; S252-K254 PolarHBondContact O-N 3.49Å
253E79.3Confident74.6Confident157 Ų157133.2 Ų133.273%0.73474%0.735SS**  trans-78.7101170.5-161.3-178.6158.900110K251 L255K251-E253 PolarHBondContact O-N 3.34Å; E253-L255 HydrophobicContact CG-CD1 4.48Å; E253-L255 HydrophobicContact CG-CD2 4.37Å; E253-L255 HydrophobicContact CG-CG 4.09Å; E253-L255 PolarHBondContact O-N 3.3Å; E253-L255 VanDerWaalsContact O-N 3.14Å; E253-L255 WeakPolarHBondContact OE1-CD2 3.28Å
254K70.6Confident75.2Confident183 Ų183138.4 Ų138.480%0.79675%0.746SS**  trans-83.486.4179.9-69.1-173.8178.9-1790110.7S252 D256S252-K254 PolarHBondContact O-N 3.49Å; K254-D256 PolarHBondContact O-N 3.04Å
255L74.3Confident75.6Confident99 Ų99140.9 Ų140.952%0.51874%0.738SS.*  trans-82.995.4177.2-68.9167.5000111.5E253 F257E253-L255 HydrophobicContact CG-CD1 4.48Å; E253-L255 HydrophobicContact CG-CD2 4.37Å; E253-L255 HydrophobicContact CG-CG 4.09Å; E253-L255 PolarHBondContact O-N 3.3Å; E253-L255 VanDerWaalsContact O-N 3.14Å; E253-L255 WeakPolarHBondContact OE1-CD2 3.28Å; L255-F257 HydrophobicContact CB-CD2 3.92Å; L255-F257 HydrophobicContact CB-CE2 3.43Å; L255-F257 VanDerWaalsContact CB-CE2 3.43Å; L255-F257 HydrophobicContact CB-CZ 3.85Å; L255-F257 HydrophobicContact CD1-CE2 3.96Å; L255-F257 HydrophobicContact CD1-CZ 3.89Å; L255-F257 HydrophobicContact CD2-CZ 4.49Å; L255-F257 HydrophobicContact CG-CE2 4.26Å; L255-F257 HydrophobicContact CG-CZ 4.3Å; L255-F257 WeakPolarHBondContact O-CD2 3.4Å; L255-F257 PolarHBondContact O-N 3.02Å
256D74.2Confident76Confident110 Ų110139 Ų13959%0.58872%0.719SS**  trans-76.997.5171.3-95.8-61.3000111.1K254 K258K254-D256 PolarHBondContact O-N 3.04Å; D256-K258 WeakPolarHBondContact OD1-CE 3.28Å; D256-K258 IonicContact OD1-NZ 2.67Å; D256-K258 PolarHBondContact OD1-NZ 2.82Å
257F75.1Confident77Confident115 Ų115139.6 Ų139.650%0.50471%0.71SS.*  trans-89-2.6-176.8-77.6-63.9000115.4L255 D259 R260 V261L255-F257 HydrophobicContact CB-CD2 3.92Å; L255-F257 HydrophobicContact CB-CE2 3.43Å; L255-F257 VanDerWaalsContact CB-CE2 3.43Å; L255-F257 HydrophobicContact CB-CZ 3.85Å; L255-F257 HydrophobicContact CD1-CE2 3.96Å; L255-F257 HydrophobicContact CD1-CZ 3.89Å; L255-F257 HydrophobicContact CD2-CZ 4.49Å; L255-F257 HydrophobicContact CG-CE2 4.26Å; L255-F257 HydrophobicContact CG-CZ 4.3Å; L255-F257 WeakPolarHBondContact O-CD2 3.4Å; L255-F257 PolarHBondContact O-N 3.02Å; F257-D259 VanDerWaalsContact C-N 3.34Å; F257-D259 PolarHBondContact O-N 3.29Å; F257-R260 PolarHBondContact O-N 3.27Å; F257-V261 HydrophobicContact CB-CG2 3.86Å; F257-V261 HydrophobicContact CD1-CG2 4.48Å; F257-V261 HydrophobicContact CG-CG2 4.42Å; F257-V261 PolarHBondContact O-N 3.25Å; F257-V261 VanDerWaalsContact O-N 3.14Å
258K71.4Confident77.8Confident163 Ų163135.5 Ų135.571%0.70969%0.694SS**THydrogen-bonded Turntrans-50.2-46.2-167-66.9167.4-177.4132.60113.9D256D256-K258 WeakPolarHBondContact OD1-CE 3.28Å; D256-K258 IonicContact OD1-NZ 2.67Å; D256-K258 PolarHBondContact OD1-NZ 2.82Å
259D75.6Confident78.5Confident160 Ų160135.5 Ų135.586%0.85669%0.69SS**THydrogen-bonded Turntrans-92.3-1.2-175.3-45.9-46.3000113.5F257F257-D259 VanDerWaalsContact C-N 3.34Å; F257-D259 PolarHBondContact O-N 3.29Å
260R77.4Confident78.8Confident219 Ų219134.7 Ų134.783%0.82669%0.691SS**THydrogen-bonded Turntrans-114.7-14.5-173.4-62.5-171.2-176.8-138.91.6114.2F257F257-R260 PolarHBondContact O-N 3.27Å
261V82.5Confident79.5Confident108 Ų108134.5 Ų134.566%0.65568%0.684SS**  trans-93.1110178.7171.40000110F257F257-V261 HydrophobicContact CB-CG2 3.86Å; F257-V261 HydrophobicContact CD1-CG2 4.48Å; F257-V261 HydrophobicContact CG-CG2 4.42Å; F257-V261 PolarHBondContact O-N 3.25Å; F257-V261 VanDerWaalsContact O-N 3.14Å
262Q81.9Confident80.2Confident172 Ų172132.2 Ų132.280%0.80468%0.684SS**  trans-103.5151.6171.3-64.6-179.6-800110.6K264Q262-K264 PolarHBondContact O-N 3.14Å
263S84.6Confident81.1Confident97 Ų97134.5 Ų134.568%0.67868%0.684SS**  trans-68.2127175.750.40000111.4I265S263-I265 PolarHBondContact O-N 2.73Å
264K87.8Confident81.3Confident215 Ų215132.9 Ų132.994%0.93569%0.685SS**SBendtrans-80.818.7175.7-60.4-176.6179.9179.50113.9Q262Q262-K264 PolarHBondContact O-N 3.14Å
265I82.8Confident81.9Confident135 Ų135129 Ų12969%0.69268%0.679SS**SBendtrans-119.5126.4-175-59.2175000107.8S263 S267S263-I265 PolarHBondContact O-N 2.73Å; I265-S267 PolarHBondContact O-N 3.15Å
266G83.6Confident82.3Confident41 Ų41127.3 Ų127.342%0.42368%0.684SS.*  trans-73.555178.500000113.8L268 D269G266-L268 PolarHBondContact O-N 2.81Å; G266-L268 VanDerWaalsContact O-N 3.15Å; G266-D269 VanDerWaalsContact C-OD1 3.31Å; G266-D269 WeakPolarHBondContact CA-OD1 3.31Å; G266-D269 WeakPolarHBondContact CA-OD2 3.47Å; G266-D269 PolarHBondContact O-N 3.26Å
267S84.7Confident82.6Confident92 Ų92124.9 Ų124.964%0.64369%0.686SS**THydrogen-bonded Turntrans-68.2-12.7-174.460.90000114.1I265I265-S267 PolarHBondContact O-N 3.15Å
268L84.6Confident82.4Confident114 Ų114123.3 Ų123.360%0.59770%0.702SS**THydrogen-bonded Turntrans-1168.3-177.9-58.3-178.1000113.2G266 N270 I271G266-L268 PolarHBondContact O-N 2.81Å; G266-L268 VanDerWaalsContact O-N 3.15Å; L268-N270 PolarHBondContact O-N 3.19Å; L268-I271 HydrophobicContact CB-CB 4.42Å; L268-I271 HydrophobicContact CD2-CD1 4.41Å; L268-I271 VanDerWaalsContact O-CB 3.26Å; L268-I271 WeakPolarHBondContact O-CB 2.88Å; L268-I271 WeakPolarHBondContact O-CG2 3.36Å; L268-I271 PolarHBondContact O-N 3.16Å
269D87.6Confident82.3Confident123 Ų123122.3 Ų122.366%0.65871%0.705SS**THydrogen-bonded Turntrans-59-25.7-172.9-64.52.7000113.2G266G266-D269 VanDerWaalsContact C-OD1 3.31Å; G266-D269 WeakPolarHBondContact CA-OD1 3.31Å; G266-D269 WeakPolarHBondContact CA-OD2 3.47Å; G266-D269 PolarHBondContact O-N 3.26Å
270N82.8Confident82.3Confident135 Ų135124 Ų12472%0.72270%0.704SS**THydrogen-bonded Turntrans-99.27.7177.6-67-62.5000114.5L268 T272 H273L268-N270 PolarHBondContact O-N 3.19Å; N270-T272 PolarHBondContact O-N 3.29Å; N270-T272 VanDerWaalsContact O-N 3.09Å; N270-H273 VanDerWaalsContact O-CB 3.29Å; N270-H273 WeakPolarHBondContact O-CB 3.09Å; N270-H273 PolarHBondContact O-N 2.67Å
271I86.6Confident82.3Confident129 Ų129122.6 Ų122.666%0.66270%0.704SS**THydrogen-bonded Turntrans-60.7-23.1-175.1-162.4173.3000113.6L268 H273L268-I271 HydrophobicContact CB-CB 4.42Å; L268-I271 HydrophobicContact CD2-CD1 4.41Å; L268-I271 VanDerWaalsContact O-CB 3.26Å; L268-I271 WeakPolarHBondContact O-CB 2.88Å; L268-I271 WeakPolarHBondContact O-CG2 3.36Å; L268-I271 PolarHBondContact O-N 3.16Å; I271-H273 VanDerWaalsContact C-N 3.34Å
272T88.1Confident82.1Confident120 Ų120124.6 Ų124.674%0.73671%0.71SS**THydrogen-bonded Turntrans-85.3-1.3178.253.70000113.9N270 V274N270-T272 PolarHBondContact O-N 3.29Å; N270-T272 VanDerWaalsContact O-N 3.09Å; T272-V274 PolarHBondContact O-N 3.11Å
273H87.4Confident81.8Confident138 Ų138123.7 Ų123.764%0.63971%0.705SS**  trans-71.996.9179.5176.3-84.9000111.8N270 I271N270-H273 VanDerWaalsContact O-CB 3.29Å; N270-H273 WeakPolarHBondContact O-CB 3.09Å; N270-H273 PolarHBondContact O-N 2.67Å; I271-H273 VanDerWaalsContact C-N 3.34Å
274V84.8Confident81.2Confident123 Ų123124.8 Ų124.875%0.74571%0.708SS**  trans-76.7125.5167.8-177.90000109.2T272 G276T272-V274 PolarHBondContact O-N 3.11Å; V274-G276 PolarHBondContact O-N 3.28Å
275P82.3Confident80.6Confident102 Ų102122 Ų12266%0.66270%0.698SS**  trans-69.6105.2-176.627.4-34.6000111.9G277P275-G277 PolarHBondContact O-N 3.18Å
276G81.7Confident80.1Confident62 Ų62124.3 Ų124.364%0.63970%0.703SS**  trans-70.827.2179.100000116.2V274V274-G276 PolarHBondContact O-N 3.28Å
277G80.5Confident79.5Confident60 Ų60128.4 Ų128.462%0.61971%0.714SS**  trans-70.5163.5-179.200000113.7P275 N279P275-G277 PolarHBondContact O-N 3.18Å; G277-N279 PolarHBondContact O-N 3.49Å; G277-N279 VanDerWaalsContact O-N 3.09Å
278G71.4Confident78.6Confident82 Ų82129 Ų12985%0.84571%0.714SS**SBendtrans79.4-24174.400000116.3K280G278-K280 VanDerWaalsContact C-N 3.28Å; G278-K280 PolarHBondContact O-N 3.14Å
279N70.5Confident77.8Confident142 Ų142130.2 Ų130.276%0.75972%0.715SS**  trans-70.2-15.4-174.8-67.7-31000115.2G277G277-N279 PolarHBondContact O-N 3.49Å; G277-N279 VanDerWaalsContact O-N 3.09Å
280K75.5Confident76.7Confident195 Ų195136.2 Ų136.285%0.84873%0.728SS**  trans-94.694.9175.3-71.7-174.5178.7179.50110.7G278 I282G278-K280 VanDerWaalsContact C-N 3.28Å; G278-K280 PolarHBondContact O-N 3.14Å; K280-I282 PolarHBondContact O-N 2.99Å
281K76.6Confident75.9Confident190 Ų190138.3 Ų138.383%0.82673%0.734SS**  trans-69.9121.7171.3-172.7179.5-178-176.20109.9E283K281-E283 PolarHBondContact O-N 3.18Å
282I79Confident74.9Confident150 Ų150138.9 Ų138.977%0.76974%0.738SS**  trans-77.7115.4176.1-59.6174.9000109.1K280 T284K280-I282 PolarHBondContact O-N 2.99Å; I282-T284 PolarHBondContact O-N 3.41Å
283E75.5Confident73.8Confident153 Ų153136.7 Ų136.772%0.71573%0.732SS**  trans-77.5113.4179.2-62.4-166.8137.400111K281 H285K281-E283 PolarHBondContact O-N 3.18Å; E283-H285 PolarHBondContact O-N 3.32Å
284T72.5Confident72.7Confident120 Ų120139.5 Ų139.574%0.73674%0.743SS**  trans-90.285-175.3-54.40000111.1I282 K286I282-T284 PolarHBondContact O-N 3.41Å; T284-K286 VanDerWaalsContact C-N 3.34Å; T284-K286 PolarHBondContact O-N 3.34Å
285H75.1Confident72.1Confident156 Ų156137.9 Ų137.972%0.72274%0.743SS**  trans-71.486.2171.4-78.8-87.4000111.4E283 L287E283-H285 PolarHBondContact O-N 3.32Å; H285-L287 PolarHBondContact O-N 2.6Å
286K71.1Confident71.6Confident184 Ų184142.9 Ų142.980%0.875%0.754SS**  trans-78.298.3-179.7-165.8177-174.5179.50110.9T284 T288T284-K286 VanDerWaalsContact C-N 3.34Å; T284-K286 PolarHBondContact O-N 3.34Å; K286-T288 PolarHBondContact O-N 3.38Å
287L71.7Confident71.2Confident126 Ų126145.7 Ų145.766%0.6676%0.759SS**  trans-70.2115.9-175.1-64.7164.7000112.5H285 F289H285-L287 PolarHBondContact O-N 2.6Å; L287-F289 VanDerWaalsContact C-N 3.33Å; L287-F289 HydrophobicContact CB-CD2 3.91Å; L287-F289 HydrophobicContact CB-CE2 3.64Å; L287-F289 HydrophobicContact CB-CZ 4.1Å; L287-F289 HydrophobicContact CD1-CE2 3.76Å; L287-F289 HydrophobicContact CD1-CZ 4.1Å; L287-F289 HydrophobicContact CD2-CE2 4.32Å; L287-F289 HydrophobicContact CD2-CZ 3.99Å; L287-F289 HydrophobicContact CG-CE2 4.1Å; L287-F289 HydrophobicContact CG-CZ 4.29Å; L287-F289 PolarHBondContact O-N 3.15Å
288T66.1Low70.7Confident104 Ų104148.8 Ų148.864%0.63876%0.761SS**  trans-9138-172.847.70000114.3K286 R290K286-T288 PolarHBondContact O-N 3.38Å; T288-R290 PolarHBondContact O-N 3.07Å
289F67.1Low70.4Confident141 Ų141151.6 Ų151.662%0.61875%0.752SS**Hα-helixtrans-59.2-24.7-173.4-63.4-52.9000115.2L287 E291 N292 A293L287-F289 VanDerWaalsContact C-N 3.33Å; L287-F289 HydrophobicContact CB-CD2 3.91Å; L287-F289 HydrophobicContact CB-CE2 3.64Å; L287-F289 HydrophobicContact CB-CZ 4.1Å; L287-F289 HydrophobicContact CD1-CE2 3.76Å; L287-F289 HydrophobicContact CD1-CZ 4.1Å; L287-F289 HydrophobicContact CD2-CE2 4.32Å; L287-F289 HydrophobicContact CD2-CZ 3.99Å; L287-F289 HydrophobicContact CG-CE2 4.1Å; L287-F289 HydrophobicContact CG-CZ 4.29Å; L287-F289 PolarHBondContact O-N 3.15Å; F289-E291 PolarHBondContact O-N 3.41Å; F289-E291 VanDerWaalsContact O-N 3.15Å; F289-N292 PolarHBondContact O-N 2.88Å; F289-A293 WeakPolarHBondContact O-CB 3.47Å; F289-A293 PolarHBondContact O-N 3Å
290R65Low70.2Confident248 Ų248148 Ų14894%0.93675%0.749SS**Hα-helixtrans-64.3-20.5-171.9-60.4-17679.7146.92.9115T288T288-R290 PolarHBondContact O-N 3.07Å
291E66.1Low70Confident180 Ų180141.9 Ų141.984%0.84173%0.734SS**Hα-helixtrans-100.2-30.2-175.5-163.6162-14500112.7F289F289-E291 PolarHBondContact O-N 3.41Å; F289-E291 VanDerWaalsContact O-N 3.15Å
292N64.5Low69.8Low140 Ų140141.4 Ų141.475%0.74974%0.735SS**Hα-helixtrans-92.9-14176.5-74.3-49.9000113.9F289 K294F289-N292 PolarHBondContact O-N 2.88Å; N292-K294 PolarHBondContact O-N 3.09Å
293A64.7Low69.3Low74 Ų74140.6 Ų140.661%0.61273%0.731SS**  trans-74.985179.500000112.3F289 A295F289-A293 WeakPolarHBondContact O-CB 3.47Å; F289-A293 PolarHBondContact O-N 3Å; A293-A295 PolarHBondContact O-N 2.91Å
294K65.6Low69.2Low197 Ų197138.4 Ų138.486%0.85773%0.728SS**  trans-64.1130.8162.7-70.6-167.4176-172.60110N292 K296N292-K294 PolarHBondContact O-N 3.09Å; K294-K296 PolarHBondContact O-N 3.02Å; K294-K296 VanDerWaalsContact O-N 3.1Å
295A72.3Confident68.9Low90 Ų90142 Ų14274%0.74473%0.729SS**  trans-61.6111.6172.200000110.3A293 T297A293-A295 PolarHBondContact O-N 2.91Å; A295-T297 VanDerWaalsContact C-N 3.25Å; A295-T297 PolarHBondContact O-N 3.06Å
296K71.6Confident68.7Low207 Ų207143.3 Ų143.390%0.973%0.733SS**  trans-90.760.1169.5-71.7-171.7175.8-1760110K294 D298K294-K296 PolarHBondContact O-N 3.02Å; K294-K296 VanDerWaalsContact O-N 3.1Å; K296-D298 PolarHBondContact O-N 3.39Å
297T73.4Confident67.8Low121 Ų121138.2 Ų138.274%0.74272%0.72SS**  trans-88.689.4171.2-49.10000108.3A295A295-T297 VanDerWaalsContact C-N 3.25Å; A295-T297 PolarHBondContact O-N 3.06Å
298D70.1Confident67.4Low125 Ų125138.1 Ų138.167%0.66873%0.727SS**  trans-74.2128.1148.7-174.5-2000107K296 G300K296-D298 PolarHBondContact O-N 3.39Å; D298-G300 PolarHBondContact O-N 3.04Å; D298-G300 PolarHBondContact OD1-N 2.97Å
299H64.6Low66.6Low140 Ų140138.9 Ų138.965%0.64873%0.731SS**  trans-60-20.4170.125.634.5000113.6A301H299-A301 PolarHBondContact O-N 2.9Å
300G66.9Low65.7Low67 Ų67138.4 Ų138.469%0.69174%0.74SS**  trans65.83.6170.300000115.8D298D298-G300 PolarHBondContact O-N 3.04Å; D298-G300 PolarHBondContact OD1-N 2.97Å
301A69.8Low64.8Low66 Ų66132.5 Ų132.555%0.54574%0.737SS.*SBendtrans-136.3137.7-17800000109.7H299 I303H299-A301 PolarHBondContact O-N 2.9Å; A301-I303 PolarHBondContact O-N 3.05Å
302E72.6Confident63.9Low180 Ų180126.1 Ų126.184%0.84172%0.719SS**  trans-68.5111.8175.8-64.4-171.915600110.2V304E302-V304 HydrophobicContact CB-CG2 4.17Å; E302-V304 PolarHBondContact O-N 3.36Å
303I69.8Low62.6Low133 Ų133127.8 Ų127.868%0.68273%0.728SS**  trans-77.979.4175.2-53.6179.8000108.6A301 Y305A301-I303 PolarHBondContact O-N 3.05Å; I303-Y305 PolarHBondContact O-N 2.92Å
304V73.3Confident61.8Low107 Ų107130.4 Ų130.465%0.64874%0.736SS**  trans-69.691.8179.4-1780000110.2E302 K306E302-V304 HydrophobicContact CB-CG2 4.17Å; E302-V304 PolarHBondContact O-N 3.36Å; V304-K306 PolarHBondContact O-N 3.01Å
305Y65.1Low60.6Low197 Ų197126.3 Ų126.377%0.77373%0.732SS**  trans-73.788.2176-169.5-94.3000111.3I303 S307I303-Y305 PolarHBondContact O-N 2.92Å; Y305-S307 PolarHBondContact O-N 3.23Å
306K71.4Confident59.8Low183 Ų183128.1 Ų128.180%0.79674%0.737SS**  trans-79.1106.4162.7-85-170172.7-1770109.7V304 P308V304-K306 PolarHBondContact O-N 3.01Å; K306-P308 WeakPolarHBondContact O-CD 3.1Å
307S52.8Low58.9Low76 Ų76129.5 Ų129.553%0.53174%0.736SS.*PPolyproline II helixtrans-65.3128.7167.541.50000110.9Y305 V309Y305-S307 PolarHBondContact O-N 3.23Å; S307-V309 PolarHBondContact O-N 3.3Å
308P62.9Low57.5Low125 Ų125132.2 Ų132.281%0.81274%0.74SS**PPolyproline II helixtrans-66.4122.6165.9-1933000109.7K306K306-P308 WeakPolarHBondContact O-CD 3.1Å
309V49.7Very low56.7Low120 Ų120134.4 Ų134.473%0.72775%0.751SS**PPolyproline II helixtrans-85.8151.3172.7-176.30000108.9S307S307-V309 PolarHBondContact O-N 3.3Å
310V48.8Very low55.9Low130 Ų130131.4 Ų131.479%0.78875%0.746SS**  trans50.594.4176.7-74.40000117.3
311S45.3Very low54.8Low125 Ų125136.7 Ų136.787%0.87476%0.758SS**  -172.8168.4101.7-75.80000111.1
312G46Very low54.1Low45 Ų45139.4 Ų139.446%0.46477%0.768SS.*  trans-80.2170.5-175.800000115.7T314G312-T314 PolarHBondContact O-N 2.96Å
313D37.9Very low52.9Low176 Ų176136.7 Ų136.794%0.94177%0.769SS**  trans40.141.1143.467.4-56000120.2
314T49Very low52.2Low128 Ų128136.1 Ų136.179%0.78578%0.777SS**  trans-119.5139.7162.259.80000112G312 P316G312-T314 PolarHBondContact O-N 2.96Å; T314-P316 WeakPolarHBondContact O-CD 3.49Å
315S39.8Very low50.9Low111 Ų111138.3 Ų138.378%0.77679%0.79SS**  trans-95.3115.4-178.4-174.10000110.3R317S315-R317 PolarHBondContact O-N 3.41Å
316P55.8Low50.6Low129 Ų129132.9 Ų132.984%0.83879%0.794SS**  trans-70.8104.7-176.9-19.633.4000111.9T314T314-P316 WeakPolarHBondContact O-CD 3.49Å
317R52.1Low49.7Very low235 Ų235128.7 Ų128.789%0.88779%0.788SS**  trans-89.5146.9163.4-66.7-163.5-170.6-173.36.8110.8S315S315-R317 PolarHBondContact O-N 3.41Å
318H44.2Very low49.9Very low178 Ų178132.5 Ų132.582%0.82480%0.801SS**  trans7668.5142.5-159.5-77.5000119.2
319L54Low49.4Very low171 Ų171132.3 Ų132.390%0.89579%0.793SS**  trans-143.9141.3143.8-65.8176.5000107.1
320S46.3Very low49.5Very low78 Ų78135 Ų13555%0.54580%0.8SS.*  cis-161.6135.6-1449.30000108.6V322S320-V322 PolarHBondContact O-N 2.93Å; S320-V322 VanDerWaalsContact O-N 3.07Å
321N45.4Very low50Low178 Ų178134.5 Ų134.595%0.95280%0.796SS**  trans-7794.3179.9-76.1-1.9000111.6
322V55Low50.5Low123 Ų123134.9 Ų134.975%0.74579%0.789SS**  trans-135.469.4177.6-730000112.1S320S320-V322 PolarHBondContact O-N 2.93Å; S320-V322 VanDerWaalsContact O-N 3.07Å
323S46.9Very low51.3Low123 Ų123135.9 Ų135.986%0.8679%0.789SS**  trans-116.296.8172.1-690000110.8
324S54.6Low53Low121 Ų121132.2 Ų132.285%0.84677%0.774SS**  trans12.4110.1163.7-51.80000118.7G326S324-G326 PolarHBondContact O-N 3.17Å
325T46.4Very low54.3Low152 Ų152133.2 Ų133.293%0.93377%0.77SS**  trans-61.2124.9165.446.70000111.3
326G58.4Low55.7Low83 Ų83133.4 Ų133.486%0.85676%0.762SS**  trans-15738.7-174.600000114.1S324S324-G326 PolarHBondContact O-N 3.17Å
327S53.1Low56.5Low95 Ų95129.5 Ų129.566%0.66474%0.741SS**  trans-130.2137.4169.7-167.80000109.6D329S327-D329 VanDerWaalsContact C-N 3.31Å; S327-D329 VanDerWaalsContact CB-OD2 3.23Å; S327-D329 WeakPolarHBondContact CB-OD2 3.17Å; S327-D329 PolarHBondContact O-N 2.88Å; S327-D329 PolarHBondContact OG-OD2 3.31Å
328I56.2Low57.9Low156 Ų156122.3 Ų122.380%0.872%0.723SS**  trans-9559.4-179.7-174.5164.2000110.1M330I328-M330 HydrophobicContact CG1-CG 4.46Å; I328-M330 PolarHBondContact O-N 3.34Å; I328-M330 VanDerWaalsContact O-N 3.16Å
329D51.6Low59.9Low122 Ų122118.2 Ų118.265%0.65271%0.707SS**  trans-78.199174.2-73.5-79.3000109.5S327 V331S327-D329 VanDerWaalsContact C-N 3.31Å; S327-D329 VanDerWaalsContact CB-OD2 3.23Å; S327-D329 WeakPolarHBondContact CB-OD2 3.17Å; S327-D329 PolarHBondContact O-N 2.88Å; S327-D329 PolarHBondContact OG-OD2 3.31Å; D329-V331 PolarHBondContact O-N 3.3Å
330M51.6Low61.3Low177 Ų177112.8 Ų112.887%0.87269%0.686SS**  trans-70.468.3178.3-67.4172.757.400111.6I328I328-M330 HydrophobicContact CG1-CG 4.46Å; I328-M330 PolarHBondContact O-N 3.34Å; I328-M330 VanDerWaalsContact O-N 3.16Å
331V61Low63.3Low118 Ų118114.9 Ų114.972%0.71569%0.691SS**  trans-76.8122.6167-68.90000109.6D329 S333D329-V331 PolarHBondContact O-N 3.3Å; V331-S333 PolarHBondContact O-N 3.44Å; V331-S333 VanDerWaalsContact O-N 3.1Å
332D55.7Low65.3Low133 Ų133112.5 Ų112.571%0.71167%0.674SS**  trans-46.4111.6-177.1-172.714.6000111.8P334D332-P334 WeakPolarHBondContact O-CD 3.05Å
333S62.9Low67Low67 Ų67110.9 Ų110.947%0.46967%0.665SS.*  trans-81.9116.6-177.5-75.40000108.9V331 Q335 L336V331-S333 PolarHBondContact O-N 3.44Å; V331-S333 VanDerWaalsContact O-N 3.1Å; S333-Q335 PolarHBondContact O-N 2.87Å; S333-L336 PolarHBondContact O-N 2.8Å
334P73.3Confident69Low98 Ų98108.5 Ų108.564%0.63665%0.648SS**Hα-helixtrans-62.1-16.9-166.923-34.4000114.3D332 L336 A337 T338D332-P334 WeakPolarHBondContact O-CD 3.05Å; P334-L336 VanDerWaalsContact C-N 3.32Å; P334-L336 PolarHBondContact O-N 3.09Å; P334-A337 PolarHBondContact O-N 3.23Å; P334-T338 PolarHBondContact O-N 3.09Å; P334-T338 VanDerWaalsContact O-N 3.12Å; P334-T338 PolarHBondContact O-OG1 2.97Å
335Q75.2Confident70.6Confident149 Ų149105 Ų10570%0.69663%0.627SS**Hα-helixtrans-64.2-32.2172.3-65.4-178-42.900113.2S333 T338 L339S333-Q335 PolarHBondContact O-N 2.87Å; Q335-T338 WeakPolarHBondContact CA-OG1 3.49Å; Q335-T338 PolarHBondContact O-OG1 3.02Å; Q335-L339 VanDerWaalsContact O-CG 3.31Å; Q335-L339 WeakPolarHBondContact O-CG 3.41Å; Q335-L339 PolarHBondContact O-N 3.19Å
336L70Confident72.7Confident116 Ų116100.8 Ų100.861%0.60760%0.603SS**Hα-helixtrans-75.2-36.9176-61.8-175.3000111.4S333 P334 L339 A340S333-L336 PolarHBondContact O-N 2.8Å; P334-L336 VanDerWaalsContact C-N 3.32Å; P334-L336 PolarHBondContact O-N 3.09Å; L336-L339 HydrophobicContact CD2-CD1 4.38Å; L336-L339 PolarHBondContact O-N 3.23Å; L336-A340 PolarHBondContact O-N 3.15Å
337A73.2Confident74.2Confident47 Ų47100.9 Ų100.939%0.38858%0.584SS.*Hα-helixtrans-60.4-44.6173.100000111.7P334 L339 A340 D341P334-A337 PolarHBondContact O-N 3.23Å; A337-L339 VanDerWaalsContact C-N 3.34Å; A337-L339 PolarHBondContact O-N 3.4Å; A337-A340 PolarHBondContact O-N 3.06Å; A337-D341 PolarHBondContact O-N 3.1Å
338T80.7Confident75.8Confident84 Ų84100 Ų10052%0.51558%0.582SS.*Hα-helixtrans-62.9-37.4175.846.30000113.1P334 Q335 D341 E342P334-T338 PolarHBondContact O-N 3.09Å; P334-T338 VanDerWaalsContact O-N 3.12Å; P334-T338 PolarHBondContact O-OG1 2.97Å; Q335-T338 WeakPolarHBondContact CA-OG1 3.49Å; Q335-T338 PolarHBondContact O-OG1 3.02Å; T338-D341 PolarHBondContact O-N 3.47Å; T338-E342 WeakPolarHBondContact O-CG 3.44Å; T338-E342 PolarHBondContact O-N 3.48Å
339L86Confident77.2Confident92 Ų92101 Ų10148%0.48258%0.581SS.*Hα-helixtrans-69-34.5176.9-71.2168.7000112.3Q335 L336 A337 E342 V343Q335-L339 VanDerWaalsContact O-CG 3.31Å; Q335-L339 WeakPolarHBondContact O-CG 3.41Å; Q335-L339 PolarHBondContact O-N 3.19Å; L336-L339 HydrophobicContact CD2-CD1 4.38Å; L336-L339 PolarHBondContact O-N 3.23Å; A337-L339 VanDerWaalsContact C-N 3.34Å; A337-L339 PolarHBondContact O-N 3.4Å; L339-E342 PolarHBondContact O-N 3.26Å; L339-V343 WeakPolarHBondContact O-CG2 3.23Å; L339-V343 PolarHBondContact O-N 3.34Å
340A84.4Confident78.7Confident56 Ų56102.5 Ų102.546%0.46358%0.584SS.*Hα-helixtrans-65-41175.700000112.2L336 A337 S344L336-A340 PolarHBondContact O-N 3.15Å; A337-A340 PolarHBondContact O-N 3.06Å; A340-S344 WeakPolarHBondContact O-CB 3.49Å; A340-S344 PolarHBondContact O-N 2.95Å; A340-S344 PolarHBondContact O-OG 3.22Å
341D86.9Confident79.7Confident123 Ų12397.4 Ų97.466%0.65858%0.576SS**Hα-helixtrans-66.1-42.6173.1-92.4-18.7000111.9A337 T338 V343 S344 A345A337-D341 PolarHBondContact O-N 3.1Å; T338-D341 PolarHBondContact O-N 3.47Å; D341-V343 PolarHBondContact O-N 2.93Å; D341-S344 PolarHBondContact O-N 3.09Å; D341-A345 VanDerWaalsContact O-CB 3.25Å; D341-A345 WeakPolarHBondContact O-CB 3.08Å; D341-A345 PolarHBondContact O-N 2.86Å
342E88.5Confident79.3Confident127 Ų127100.7 Ų100.759%0.59359%0.589SS**Hα-helixtrans-63.8-40.1177.8-76.3-170145.400112.9T338 L339 S346T338-E342 WeakPolarHBondContact O-CG 3.44Å; T338-E342 PolarHBondContact O-N 3.48Å; L339-E342 PolarHBondContact O-N 3.26Å; E342-S346 WeakPolarHBondContact O-CB 3.29Å; E342-S346 PolarHBondContact O-N 2.86Å; E342-S346 PolarHBondContact O-OG 2.95Å
343V90Very high80.4Confident90 Ų9099.1 Ų99.155%0.54558%0.583SS.*Hα-helixtrans-65.3-45.4174.1170.30000110.7L339 D341 A345 S346 L347L339-V343 WeakPolarHBondContact O-CG2 3.23Å; L339-V343 PolarHBondContact O-N 3.34Å; D341-V343 PolarHBondContact O-N 2.93Å; V343-A345 PolarHBondContact O-N 3.36Å; V343-S346 WeakPolarHBondContact O-CB 3.18Å; V343-S346 PolarHBondContact O-N 2.91Å; V343-S346 VanDerWaalsContact O-N 3.08Å; V343-L347 HydrophobicContact CG1-CD1 4.42Å; V343-L347 PolarHBondContact O-N 2.89Å
344S88.4Confident81.4Confident73 Ų73100.7 Ų100.751%0.5159%0.589SS.*Hα-helixtrans-62.4-44.2178.8-58.10000112A340 D341 S346 L347 A348A340-S344 WeakPolarHBondContact O-CB 3.49Å; A340-S344 PolarHBondContact O-N 2.95Å; A340-S344 PolarHBondContact O-OG 3.22Å; D341-S344 PolarHBondContact O-N 3.09Å; S344-S346 PolarHBondContact O-N 2.7Å; S344-L347 PolarHBondContact O-N 3.19Å; S344-A348 WeakPolarHBondContact O-CB 3.26Å; S344-A348 PolarHBondContact O-N 2.76Å; S344-A348 VanDerWaalsContact O-N 3.12Å
345A89.7Confident81.8Confident48 Ų48100.9 Ų100.940%0.39759%0.586SS.*Hα-helixtrans-69.4-17175.300000113.5D341 V343 K349D341-A345 VanDerWaalsContact O-CB 3.25Å; D341-A345 WeakPolarHBondContact O-CB 3.08Å; D341-A345 PolarHBondContact O-N 2.86Å; V343-A345 PolarHBondContact O-N 3.36Å; A345-K349 WeakPolarHBondContact O-CD 3.48Å; A345-K349 VanDerWaalsContact O-CG 3.3Å; A345-K349 WeakPolarHBondContact O-CG 3.48Å
346S90.4Very high82.2Confident62 Ų6298.1 Ų98.143%0.43458%0.58SS.*Hα-helixtrans-85.4-41.5174.6-62.40000112.1E342 V343 S344 K349 Q350E342-S346 WeakPolarHBondContact O-CB 3.29Å; E342-S346 PolarHBondContact O-N 2.86Å; E342-S346 PolarHBondContact O-OG 2.95Å; V343-S346 WeakPolarHBondContact O-CB 3.18Å; V343-S346 PolarHBondContact O-N 2.91Å; V343-S346 VanDerWaalsContact O-N 3.08Å; S344-S346 PolarHBondContact O-N 2.7Å; S346-K349 PolarHBondContact O-N 3.06Å; S346-Q350 PolarHBondContact O-N 3.13Å
347L89.6Confident83Confident86 Ų8696.9 Ų96.945%0.4558%0.578SS.*Hα-helixtrans-59.7-47.6171.2-101.467.7000111.4V343 S344 K349 Q350 G351V343-L347 HydrophobicContact CG1-CD1 4.42Å; V343-L347 PolarHBondContact O-N 2.89Å; S344-L347 PolarHBondContact O-N 3.19Å; L347-K349 PolarHBondContact O-N 3.08Å; L347-Q350 WeakPolarHBondContact O-CA 3.11Å; L347-Q350 PolarHBondContact O-N 3.42Å; L347-G351 PolarHBondContact O-N 3.33Å; L347-G351 VanDerWaalsContact O-N 3.16Å
348A86.6Confident83.6Confident77 Ų77100.3 Ų100.364%0.63659%0.591SS**Hα-helixtrans-60.1-21.4178.700000114S344S344-A348 WeakPolarHBondContact O-CB 3.26Å; S344-A348 PolarHBondContact O-N 2.76Å; S344-A348 VanDerWaalsContact O-N 3.12Å
349K86.4Confident83.8Confident175 Ų175101.4 Ų101.476%0.76160%0.596SS**Hα-helixtrans-84.8-19.1172.8-74169.2-174.1165.70113.7A345 S346 L347A345-K349 WeakPolarHBondContact O-CD 3.48Å; A345-K349 VanDerWaalsContact O-CG 3.3Å; A345-K349 WeakPolarHBondContact O-CG 3.48Å; S346-K349 PolarHBondContact O-N 3.06Å; L347-K349 PolarHBondContact O-N 3.08Å
350Q81.8Confident83.7Confident155 Ų155102.2 Ų102.272%0.72461%0.605SS**Hα-helixtrans-92.7-13176-68.3-169.1-17.500113.2S346 L347S346-Q350 PolarHBondContact O-N 3.13Å; L347-Q350 WeakPolarHBondContact O-CA 3.11Å; L347-Q350 PolarHBondContact O-N 3.42Å
351G72.1Confident83.6Confident69 Ų69106 Ų10671%0.71162%0.617SS**THydrogen-bonded Turntrans82.125.8175.900000114.5L347L347-G351 PolarHBondContact O-N 3.33Å; L347-G351 VanDerWaalsContact O-N 3.16Å
352L52.9Low83.3Confident187 Ų187104.5 Ų104.598%0.97961%0.613SS**  trans-91.50161-86.272.2000109.8

Retrieved 352 of 352 residues in 42.6 ms (Link to these results)