A0A077ZEM8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 470 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
1M42.6Very low47.3Very low238 Ų238149.4 Ų149.4100%1.17278%0.78SS**  01090-70.4174.6176.300106.2
2Q44.1Very low47.2Very low171 Ų171151.3 Ų151.380%0.79978%0.782SS**  trans-142.5128.7-168.9-87.6155.2-7100105.6
3N46.2Very low47.1Very low137 Ų137149.4 Ų149.473%0.73377%0.774SS**  69.6112.698.5-6526.6000111.8
4T45.3Very low47.3Very low124 Ų124151.1 Ų151.176%0.76177%0.773SS**  cis101.11674259.60000112.5
5S55.8Low47.4Very low103 Ų103151.6 Ų151.672%0.7277%0.771SS**  trans77.5125.9-167.5-65.30000112.9
6D46.7Very low47.3Very low163 Ų163150.6 Ų150.687%0.87276%0.762SS**  cis5885.312.6-82.6-31.3000115
7E52.2Low47.4Very low186 Ų186151.9 Ų151.987%0.86976%0.761SS**  trans-164.9164.7146.1-135.9167.8121.700109.3
8Q47.8Very low47.7Very low158 Ų158154.3 Ų154.374%0.73877%0.77SS**  -166.3139.3-70.9-159.7-161.8-95.200105.7
9T46.6Very low48.2Very low97 Ų97152.7 Ų152.760%0.59577%0.772SS**  trans62.5138.7150.837.90000124.2
10E45.8Very low47.9Very low151 Ų151152.5 Ų152.571%0.70677%0.772SS**  trans85.3111.2133.1-79.2-172.899.400123.6
11N47.8Very low47.4Very low115 Ų115153.1 Ų153.162%0.61577%0.772SS**  107127.1118.3-71-12.2000121.4
12E45.6Very low47.7Very low172 Ų172150.9 Ų150.980%0.80476%0.758SS**  trans59.8143.5148.2-58.6179.5133.700117.3
13N45.4Very low47.9Very low127 Ų127151.5 Ų151.568%0.67976%0.762SS**  cis-166.216828.3-153.4-33.1000110.2
14K50.1Low47.9Very low174 Ų174152.5 Ų152.576%0.75777%0.767SS**  trans66.4159.2163-63-172.5-179-173.90118.6
15E48.9Very low48.1Very low158 Ų158152.8 Ų152.874%0.73877%0.768SS**  cis-161.8172.2-38.6-150.1164.3153.200108.1
16E46.6Very low47.7Very low136 Ų136154.2 Ų154.264%0.63677%0.768SS**  trans61.9110.9166.6-57.1-144.986.700122
17K49.2Very low47.9Very low173 Ų173152.4 Ų152.475%0.75276%0.762SS**  40.6113126.7-54.6167.4-168.6153.70119.6
18Q51.6Low47.5Very low195 Ų195146 Ų14691%0.91175%0.746SS**PPolyproline II helixtrans-91.5133.9138.8-68.6-175.3-68.100109.4
19P58.2Low47.6Very low124 Ų124141.2 Ų141.281%0.80573%0.733SS**PPolyproline II helixtrans-76.8155.1170.231.8-33.3000111.9
20L42.7Very low47.9Very low147 Ų147139.7 Ų139.777%0.7773%0.73SS**PPolyproline II helixtrans-90.4154.6172.4-135.674.2000109.8
21Q37.3Very low48.1Very low166 Ų166139.9 Ų139.978%0.77673%0.731SS**  trans50.7107.3157.5-59.3176-92.100118.9
22E49Very low48.4Very low191 Ų191141.6 Ų141.689%0.89374%0.736SS**  trans-171.170.6141.7-111.1161.7-151.900112.7
23E47Very low48.9Very low185 Ų185140.5 Ų140.586%0.86473%0.731SS**SBendtrans-142.131.3177-152.2-167.8133.300113.2
24N46.8Very low49.5Very low157 Ų157142.1 Ų142.184%0.8473%0.732SS**SBendtrans-154.327.5179.6-112.9-93.5000113.5
25V48.5Very low49.8Very low131 Ų131141.2 Ų141.279%0.79473%0.728SS**  trans-129.825.3-172.9-154.40000113
26N49Very low50.2Low133 Ų133141.2 Ų141.271%0.71173%0.728SS**SBendtrans-127.727175.7-157.720.8000114.5
27V50.9Low50.5Low125 Ų125141.7 Ų141.776%0.75873%0.73SS**SBendtrans-102.3-13.3171.3-1730000111.4
28G43.5Very low50.7Low50 Ų50140.5 Ų140.552%0.51573%0.727SS.*SBendtrans-79.9-46.5178.600000114.2A30 Q31 E32G28-A30 PolarHBondContact O-N 2.7Å; G28-Q31 PolarHBondContact O-N 2.72Å; G28-Q31 VanDerWaalsContact O-N 3.11Å; G28-E32 PolarHBondContact O-N 3.26Å
29A50.1Low51Low58 Ų58138.7 Ų138.748%0.47972%0.716SS.*Hα-helixtrans-61.5-46.3-172.900000112.9Q31 E32 E33A29-Q31 PolarHBondContact O-N 3.48Å; A29-E32 PolarHBondContact O-N 3Å; A29-E33 PolarHBondContact O-N 3.23Å
30A52.1Low50.8Low65 Ų65138 Ų13854%0.53771%0.706SS.*Hα-helixtrans-65.4-8.8178.100000114.5G28G28-A30 PolarHBondContact O-N 2.7Å
31Q51.1Low51.5Low155 Ų155138.3 Ų138.372%0.72470%0.703SS**Hα-helixtrans-97.4-15.2172.1-161.21752900112.9G28 A29G28-Q31 PolarHBondContact O-N 2.72Å; G28-Q31 VanDerWaalsContact O-N 3.11Å; A29-Q31 PolarHBondContact O-N 3.48Å
32E53.5Low52.3Low152 Ų152137.8 Ų137.871%0.7170%0.701SS**Hα-helixtrans-88.3-42.8177.2-162.6153.6-144.600110.8G28 A29 K34 K35 E36G28-E32 PolarHBondContact O-N 3.26Å; A29-E32 PolarHBondContact O-N 3Å; E32-K34 PolarHBondContact O-N 2.96Å; E32-K35 WeakPolarHBondContact O-CA 3.25Å; E32-K35 VanDerWaalsContact O-CB 3.25Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 2.67Å; E32-E36 PolarHBondContact O-N 2.64Å
33E54.7Low52.5Low148 Ų148136.3 Ų136.369%0.69269%0.694SS**THydrogen-bonded Turntrans-58.5-41.9175.7-171.2173.1-160.800112.7A29 K35 E36 Q37A29-E33 PolarHBondContact O-N 3.23Å; E33-K35 PolarHBondContact O-N 2.75Å; E33-E36 PolarHBondContact O-N 3.27Å; E33-Q37 PolarHBondContact O-N 3.09Å
34K58.7Low53Low161 Ų161134 Ų13470%0.768%0.683SS**Hα-helixtrans-60.3-14.7173.2-98.8-167.5173.4-171.30114.7E32E32-K34 PolarHBondContact O-N 2.96Å
35K57Low53.4Low155 Ų155129.8 Ų129.867%0.67467%0.67SS**Hα-helixtrans-102.6-9.8-175.4-147.7174.2-170.7173.50113.6E32 E33E32-K35 WeakPolarHBondContact O-CA 3.25Å; E32-K35 VanDerWaalsContact O-CB 3.25Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 2.67Å; E33-K35 PolarHBondContact O-N 2.75Å
36E56.2Low53.6Low159 Ų159130 Ų13074%0.74366%0.662SS**Hα-helixtrans-88.4-37.9169.4-161.2150-134.200109.8E32 E33 E38 K39E32-E36 PolarHBondContact O-N 2.64Å; E33-E36 PolarHBondContact O-N 3.27Å; E36-E38 PolarHBondContact O-N 3.1Å; E36-K39 PolarHBondContact O-N 3.4Å
37Q54.1Low53.7Low146 Ų146131 Ų13168%0.68266%0.663SS**Hα-helixtrans-65-34.4177.7-163.7167.249.500114.2E33 K39 D40E33-Q37 PolarHBondContact O-N 3.09Å; Q37-K39 PolarHBondContact O-N 3.13Å; Q37-K39 VanDerWaalsContact O-N 3.16Å; Q37-D40 PolarHBondContact O-N 3.12Å
38E53.9Low53.9Low147 Ų147130.4 Ų130.469%0.68766%0.659SS**Hα-helixtrans-66.6-12178.6-165.1175-154.800113.3E36E36-E38 PolarHBondContact O-N 3.1Å
39K56Low54.3Low157 Ų157134.9 Ų134.968%0.68367%0.671SS**Hα-helixtrans-91-31.2179-97.3-177.1169.2-173.50115.1E36 Q37 E41 E42E36-K39 PolarHBondContact O-N 3.4Å; Q37-K39 PolarHBondContact O-N 3.13Å; Q37-K39 VanDerWaalsContact O-N 3.16Å; K39-E41 VanDerWaalsContact C-N 3.27Å; K39-E41 PolarHBondContact O-N 2.91Å; K39-E42 PolarHBondContact O-N 3.02Å
40D55.9Low54.4Low111 Ų111139 Ų13959%0.59468%0.679SS**Hα-helixtrans-74.2-18-175.3-109.40.3000112.8Q37 Q44Q37-D40 PolarHBondContact O-N 3.12Å; D40-Q44 PolarHBondContact O-NE2 2.82Å
41E57.3Low54.3Low153 Ų153140.2 Ų140.272%0.71569%0.688SS**Hα-helixtrans-83.9-33.6175-65.9-164.4121.300113K39 A45K39-E41 VanDerWaalsContact C-N 3.27Å; K39-E41 PolarHBondContact O-N 2.91Å; E41-A45 PolarHBondContact O-N 2.59Å
42E52.6Low54.3Low155 Ų155138.2 Ų138.272%0.72469%0.691SS**Hα-helixtrans-69.1-38.3179.3-167173.6-154.500111.6K39 A45K39-E42 PolarHBondContact O-N 3.02Å; E42-A45 PolarHBondContact O-N 3Å
43E54.4Low54Low159 Ų159140.2 Ų140.274%0.74370%0.697SS**Hα-helixtrans-73.1-31.4179.5-164.9159.2-159.400112.7
44Q57.2Low53.6Low138 Ų138139.1 Ų139.165%0.64570%0.703SS**Hα-helixtrans-73.1-25.6172.3-79.4-178.780.500113.5D40D40-Q44 PolarHBondContact O-NE2 2.82Å
45A55.1Low52.9Low68 Ų68139.4 Ų139.456%0.56271%0.707SS**Hα-helixtrans-68.8-36.7176.200000112.6E41 E42 E47E41-A45 PolarHBondContact O-N 2.59Å; E42-A45 PolarHBondContact O-N 3Å; A45-E47 PolarHBondContact O-N 3.02Å
46E53Low52.1Low134 Ų134141 Ų14163%0.62672%0.717SS**Hα-helixtrans-78.8-14.9-174.7-136.8-152.111600114.2K50E46-K50 PolarHBondContact O-NZ 3.25Å; E46-K50 WeakPolarHBondContact OE1-CE 3.2Å; E46-K50 IonicContact OE1-NZ 3.57Å; E46-K50 PolarHBondContact OE1-NZ 3.14Å
47E50.3Low51.4Low156 Ų156144.3 Ų144.373%0.72972%0.723SS**Hα-helixtrans-77.3-35178.3-168.1172-174.900112.6A45 D49A45-E47 PolarHBondContact O-N 3.02Å; E47-D49 PolarHBondContact O-N 2.92Å
48V54.8Low51.1Low112 Ų112146 Ų14668%0.67973%0.73SS**Hα-helixtrans-66.8-36.5-172.9-175.80000112.6K50V48-K50 PolarHBondContact O-N 3.38Å; V48-K50 VanDerWaalsContact O-N 3.16Å
49D52.8Low50.5Low144 Ų144147.3 Ų147.377%0.7773%0.734SS**THydrogen-bonded Turntrans-77.30.1-171.1-154.928.8000114.2E47E47-D49 PolarHBondContact O-N 2.92Å
50K52Low49.8Very low145 Ų145147.7 Ų147.763%0.6374%0.738SS**THydrogen-bonded Turntrans-100.5-2.8-177.7-58.9-169.9-177.980.60114.7E46 V48E46-K50 PolarHBondContact O-NZ 3.25Å; E46-K50 WeakPolarHBondContact OE1-CE 3.2Å; E46-K50 IonicContact OE1-NZ 3.57Å; E46-K50 PolarHBondContact OE1-NZ 3.14Å; V48-K50 PolarHBondContact O-N 3.38Å; V48-K50 VanDerWaalsContact O-N 3.16Å
51A50Low49.7Very low89 Ų89146.9 Ų146.974%0.73674%0.739SS**SBendtrans-92.9-19.2-174.500000115.4K53A51-K53 PolarHBondContact O-N 3.45Å
52S51.3Low49Very low113 Ų113147.9 Ų147.979%0.7974%0.744SS**  trans-94.581.3-166.3-70.40000114.2
53K47.8Very low48.5Very low194 Ų194146.4 Ų146.484%0.84374%0.741SS**  trans-147.797.4167.8-162.5169.2-172.3172.80113.9A51A51-K53 PolarHBondContact O-N 3.45Å
54P44.6Very low48Very low125 Ų125144.6 Ų144.681%0.81274%0.741SS**PPolyproline II helixtrans-77.8128.1174.131-32.2000111.2
55E46Very low47.7Very low168 Ų168144 Ų14479%0.78575%0.749SS**PPolyproline II helixtrans-96.9121.3171.1-171.6175.3124.500109.4
56E39.2Very low47.2Very low189 Ų189145.8 Ų145.888%0.88376%0.764SS**PPolyproline II helixtrans-64.9139.9178.9-68.2179.295.500112.1
57R42.4Very low46.8Very low227 Ų227142.5 Ų142.586%0.85777%0.766SS**  trans-147.7129.7161.8-120.9176.9-173.9139.79.3113
58E46.1Very low46.7Very low181 Ų181143.9 Ų143.985%0.84677%0.772SS**  trans-82.7142.7-179.2-63.2-175.395.300113
59K42.4Very low46.2Very low176 Ų176143.8 Ų143.877%0.76577%0.772SS**  19.1143.7126.8-71.2177.1179.4175.70119.2
60E41.3Very low46Very low164 Ų164144 Ų14477%0.76677%0.768SS**  cis-162.9-163-9.1-130.2-165.9108.800108.8
61P53.7Low46Very low95 Ų95143.7 Ų143.762%0.61777%0.767SS**  trans-124.2-156.1-140.140.5-18.5000115.8
62Q41.4Very low46Very low173 Ų173146.9 Ų146.981%0.80877%0.767SS**  trans82.5148.8177.2-54.9-179.9-16.200114.7
63D42.7Very low45.8Very low125 Ų125148.3 Ų148.367%0.66877%0.771SS**  cis-151.2153.614.2-147.9-27000115
64T43.7Very low45.5Very low121 Ų121145.2 Ų145.274%0.74276%0.764SS**  trans40.2157.3156.3300000125.8
65P52.4Low45.8Very low124 Ų124144 Ų14481%0.80577%0.765SS**  trans-117.8174.1-167.844.2-34.3000116.9
66A43Very low45.6Very low106 Ų106144.1 Ų144.188%0.87677%0.765SS**  trans-159.8155.1165.800000114.1
67G45.8Very low46.3Very low66 Ų66144.5 Ų144.568%0.6877%0.767SS**  trans96.5113.9173.600000114.2
68E47.9Very low46.7Very low184 Ų184142.6 Ų142.686%0.8677%0.765SS**  72.8131.459.6-63.7-168.7136.400113.2
69T44.1Very low47.1Very low110 Ų110139.1 Ų139.168%0.67576%0.758SS**  cis-168156.52.59.40000111.7
70E48Very low47.5Very low148 Ų148136.8 Ų136.869%0.69276%0.758SS**  trans63.2152149.3-65.7-167.1156.800119.7
71K53.2Low48Very low139 Ų139136.3 Ų136.360%0.60476%0.761SS**  cis-162.4165.1-9.7-118.9167.7173.8153.70111.8
72E48.7Very low47.6Very low156 Ų156139.4 Ų139.473%0.72977%0.767SS**  trans24.9136146.6-63.8166.1106.800120
73T47.3Very low48Very low143 Ų143135.7 Ų135.788%0.87776%0.758SS**  -148.9167.450.641.90000115.1
74N41.8Very low48.3Very low130 Ų130138.9 Ų138.970%0.69577%0.769SS**  trans-101.1150.4177.9-17833.1000112.1
75A50.6Low48.4Very low100 Ų100141.8 Ų141.883%0.82677%0.771SS**  trans-146.7131.9162.800000109.4
76E42.6Very low48.3Very low170 Ų170145.1 Ų145.179%0.79478%0.776SS**  trans-132.4123.8-159175-175.313800110.7
77E53.1Low48.2Very low197 Ų197147.4 Ų147.492%0.92177%0.774SS**  trans-151.3143.8162.4-159.1160.9-155.300110.5
78K51.6Low48.1Very low186 Ų186149.1 Ų149.181%0.80978%0.781SS**  trans-169168.5-164.7-142.2-171.7-179.1-177.50110.4
79P53Low48Very low109 Ų109145.8 Ų145.871%0.70878%0.778SS**  -104.3-135-84.140.7-26.6000110.4
80V52Low47.8Very low126 Ų126150.3 Ų150.376%0.76479%0.792SS**  trans95132.5-174.8-177.90000111.4
81D51.9Low47.6Very low154 Ų154147.1 Ų147.182%0.82480%0.798SS**  cis-131.2171.117.2-134.7-31.3000115.3
82E44.9Very low46.7Very low161 Ų161149.4 Ų149.475%0.75281%0.811SS**  trans-105.2-161.8170.9-127.8-164.6137.600109.1
83P49.9Very low46.7Very low94 Ų94150.4 Ų150.461%0.6182%0.816SS**  cis-121.9176.1-49.737.9-26000111.6
84E49.8Very low46.6Very low193 Ų193152.4 Ų152.490%0.90281%0.812SS**  trans-154.5153.1136.5-129158.1-153.100112.9
85K45.3Very low46.8Very low181 Ų181154 Ų15479%0.78781%0.813SS**  trans-137.9123179.2-69.1177.1-177.4173.50108.9
86E49.7Very low46.8Very low195 Ų195158.3 Ų158.391%0.91182%0.816SS**  trans-115.9139.2160.7-71.5-158.511700110.7
87N40.2Very low46.9Very low154 Ų154157.5 Ų157.582%0.82481%0.813SS**  trans-133.9114.8170.3-79.1-104.2000107.5
88A45.5Very low46.9Very low102 Ų102155.9 Ų155.984%0.84381%0.81SS**  trans-145.2122.6166.800000106.3
89S44.8Very low46.5Very low113 Ų113154.5 Ų154.579%0.7981%0.811SS**  cis76.958.512.2-1670000117.2
90E40.6Very low46.2Very low206 Ų206157.8 Ų157.896%0.96382%0.817SS**  trans-156.3160143.2-118.8177.3155.700111.1
91G43.1Very low46.2Very low81 Ų81160.6 Ų160.684%0.83582%0.822SS**  trans125.168.617300000117
92Q34.9Very low45.7Very low186 Ų186161.4 Ų161.487%0.86982%0.821SS**  trans-108115.4166.4-75-167.6-79.600112.3
93E48.6Very low45.5Very low178 Ų178161.9 Ų161.983%0.83282%0.823SS**  trans-129.7118.8152.8-61.7-160.4112.500106.5
94K45.5Very low45.2Very low184 Ų184167.5 Ų167.580%0.884%0.841SS**  62.5140.966.9-64.3174.1-174.3164.10112.8
95K44.3Very low44.9Very low163 Ų163162.3 Ų162.371%0.70984%0.84SS**  cis169.4102.2-25.5177.6-178.2-177.8-74.20103.4E97K95-E97 IonicContact NZ-OE1 2.64Å; K95-E97 PolarHBondContact NZ-OE1 2.95Å
96E52.2Low44.6Very low191 Ų191161.1 Ų161.189%0.89384%0.842SS**  trans-154.9104.6169.2-138.5164.5-156.500103.9
97E42.8Very low44.5Very low154 Ų154158.1 Ų158.172%0.7284%0.837SS**  cis86.889.645.9-163.1156.1-85.600112.6K95K95-E97 IonicContact NZ-OE1 2.64Å; K95-E97 PolarHBondContact NZ-OE1 2.95Å
98N54.1Low44.8Very low163 Ų163158.4 Ų158.487%0.87283%0.833SS**  trans-154.8132.1145.9-150.33.9000109.8
99D43.8Very low44.8Very low156 Ų156162 Ų16283%0.83483%0.832SS**  trans-160.5101.7-173.7-178.127.4000110.1
100E47.1Very low44.7Very low178 Ų178162.1 Ų162.183%0.83283%0.829SS**  trans-168.7139172.7-108.3171-178.900106.4
101E51.7Low45Very low186 Ų186160.3 Ų160.387%0.86982%0.818SS**  cis-130.9161.65.1-62175.694.500111.5
102Q41.1Very low45.4Very low171 Ų171160.9 Ų160.980%0.79981%0.807SS**  trans-122.6139164.2-83.2-163.911.900112.2
103Q39.4Very low46Very low171 Ų171159.3 Ų159.380%0.79980%0.799SS**  trans45114.9147.7-58.5-178.423.600119.9
104E43.7Very low46.1Very low211 Ų211160.2 Ų160.299%0.98680%0.804SS**  trans-151.2150.6142.1-124.2-178.8-143.200111.4
105G44.8Very low46.1Very low85 Ų85160.1 Ų160.188%0.87681%0.806SS**  trans114.888.1168.700000117.5
106N39Very low46.6Very low156 Ų156156.6 Ų156.683%0.83480%0.8SS**  trans-135.2114.8169.4170.843.6000111.3
107V48.1Very low46.3Very low132 Ų132154.2 Ų154.280%0.879%0.793SS**  trans-153.9109.3172.6179.60000105.3
108E44.8Very low46.5Very low160 Ų160151.3 Ų151.375%0.74879%0.79SS**  87.9107.560.5-173.2178.7-167.500114
109E45.9Very low46.3Very low176 Ų176153.4 Ų153.482%0.82280%0.795SS**  trans170.6107.7137.3-93.4-169.7141.900108.4
110T43.5Very low46.5Very low116 Ų116153.5 Ų153.571%0.71280%0.795SS**  61.1143.29273.50000115.8
111K47.1Very low46.6Very low169 Ų169149.6 Ų149.674%0.73579%0.785SS**  cis-154.3172.91.1-132.5-119.4145.5-1550109.1E113K111-E113 IonicContact NZ-OE2 2.78Å; K111-E113 PolarHBondContact NZ-OE2 3.19Å
112P51.3Low46.5Very low93 Ų93146.8 Ų146.860%0.60478%0.776SS**  trans-125.6-156.7-158.440.6-23.2000115.7
113E47.1Very low46.8Very low152 Ų152146.3 Ų146.371%0.7177%0.771SS**  trans86.3110.3163.8-65.7160.1103.900118.9K111K111-E113 IonicContact NZ-OE2 2.78Å; K111-E113 PolarHBondContact NZ-OE2 3.19Å
114E51.2Low47.4Very low198 Ų198146 Ų14693%0.92577%0.77SS**  -161.2151.1111.9-109.6-179174.500113.1
115Q44.7Very low47.6Very low182 Ų182140.7 Ų140.785%0.8576%0.756SS**  trans-153.6177.3177.2-118.6-160.7-46.900106.1
116P54.3Low47.6Very low89 Ų89143 Ų14358%0.57875%0.753SS**  cis-140.4-157.719.442.9-21.4000114.3
117D47.2Very low47.8Very low141 Ų141143.5 Ų143.575%0.75475%0.747SS**  trans57.2147149.9-64.2-8.4000121.1
118S47.5Very low48.1Very low93 Ų93145.6 Ų145.665%0.6575%0.748SS**  cis149.9126.8-24.158.70000107.2
119E49Very low47.9Very low207 Ų207145.3 Ų145.397%0.96775%0.747SS**  trans-168.4169.8146.1-114.1-178.5154.400112.4
120D47.7Very low47.6Very low157 Ų157140.5 Ų140.584%0.8474%0.744SS**  trans-100.7160.8-150.6-14534.3000114.6
121P50Low47.5Very low97 Ų97144.5 Ų144.563%0.6376%0.755SS**  trans-94.6168.4-16938-35.5000114.9
122N48.3Very low47.1Very low126 Ų126145.3 Ų145.367%0.67476%0.762SS**  trans-166.2133.1166.7-111.1-62.2000116.3
123K48.2Very low46.9Very low161 Ų161148.9 Ų148.970%0.777%0.77SS**  trans66.7151.7148.3-66.9162.5178.7104.70117.7
124Q51.2Low46.7Very low166 Ų166149.9 Ų149.978%0.77678%0.775SS**  cis-150.8159.9-2.1-132.1164.2-81.300113.6
125S48.3Very low46.7Very low98 Ų98147 Ų14769%0.68576%0.759SS**  trans-64.2157.4178.954.50000118.2
126V46Very low47Very low134 Ų134146.6 Ų146.681%0.81276%0.755SS**  trans156.3114.9142.6155.40000105.9
127K42.6Very low46.4Very low166 Ų166150.3 Ų150.372%0.72276%0.764SS**  cis77.2127.845.9-177167.3177.6162.10114.8E129K127-E129 WeakPolarHBondContact CE-OE2 3.47Å; K127-E129 IonicContact NZ-OE2 2.65Å; K127-E129 PolarHBondContact NZ-OE2 2.95Å
128E54Low46.3Very low176 Ų176151.9 Ų151.982%0.82277%0.773SS**  trans135.799.9159.8-168.3152.5-126.700107.5
129E40.8Very low45.9Very low155 Ų155155.7 Ų155.772%0.72478%0.78SS**  55.5116.873.3-75.3-177.4106.400114K127K127-E129 WeakPolarHBondContact CE-OE2 3.47Å; K127-E129 IonicContact NZ-OE2 2.65Å; K127-E129 PolarHBondContact NZ-OE2 2.95Å
130G39Very low45.8Very low74 Ų74152.3 Ų152.376%0.76377%0.774SS**  trans168.3101.8172.700000117.5
131E42.6Very low45.4Very low200 Ų200153 Ų15394%0.93577%0.772SS**  trans58.7131.4148.3-66.6179.7119.100123.3
132E39Very low45.2Very low187 Ų187157.9 Ų157.987%0.87479%0.786SS**  trans-75.4157.1160.4-56157.9102.300111.1
133E47.3Very low45Very low168 Ų168160 Ų16079%0.78579%0.792SS**  trans-144.5128.4143.9-104.3-131.1121.500110.5K135E133-K135 IonicContact OE1-NZ 2.64Å; E133-K135 PolarHBondContact OE1-NZ 3.5Å; E133-K135 IonicContact OE2-NZ 2.75Å; E133-K135 PolarHBondContact OE2-NZ 3.21Å
134E42.3Very low44.6Very low172 Ų172158.3 Ų158.380%0.80480%0.797SS**  trans-60157.9168.5-51.5166.895.800111.1
135K51Low44.5Very low137 Ų137159.4 Ų159.460%0.59680%0.8SS**  -176.299.3127.2-95.4150.7-140.484.20113.9E133E133-K135 IonicContact OE1-NZ 2.64Å; E133-K135 PolarHBondContact OE1-NZ 3.5Å; E133-K135 IonicContact OE2-NZ 2.75Å; E133-K135 PolarHBondContact OE2-NZ 3.21Å
136K50.9Low44.3Very low175 Ų175162.9 Ų162.976%0.76181%0.805SS**  trans60.8115.5132.6-58.3-167.4175.8-158.80121.4
137E41.6Very low44.2Very low167 Ų167159.4 Ų159.478%0.7878%0.784SS**  32.7121.2113-57.2168.312900118.5
138N46.1Very low44.4Very low173 Ų173155.4 Ų155.493%0.92578%0.775SS**  -155138.3127.2-112.7-19.2000110.9
139E37.7Very low44Very low173 Ų173152.8 Ų152.881%0.80877%0.771SS**  trans-121.2125.6-172176.3-174.1170.400108.4
140V47.7Very low44.1Very low137 Ų137151.3 Ų151.383%0.8378%0.775SS**  trans-146.9112175.6177.20000110.1
141E38.4Very low44.2Very low171 Ų171152.5 Ų152.580%0.79978%0.778SS**  trans-77153.2160.6-56.9170.5101.100110.9
142E45.6Very low44.1Very low199 Ų199149.7 Ų149.793%0.9377%0.769SS**  trans-164.2147.4131.6-86.1-140.8128.900110.1
143E45.2Very low44.5Very low170 Ų170149 Ų14979%0.79477%0.766SS**  trans-87.1147.7-172.7-56.8175.1103.700114.9
144P38.5Very low44.3Very low126 Ų126148 Ų14882%0.81876%0.761SS**  trans-90.9160.4162.736.6-32.7000113
145K49.4Very low44.5Very low189 Ų189144.7 Ų144.782%0.82275%0.749SS**  trans-125.8150.2179.1-83.2173.9176.81470115.2
146E43.7Very low44.1Very low172 Ų172145.6 Ų145.680%0.80476%0.756SS**  trans-67.7167.6-170.5-60.3-178.9123.700117
147T44.3Very low43.9Very low61 Ų61144 Ų14437%0.37475%0.751SS.*  cis-159.8-69.6-29.835.40000115.7M284T147-M284 HydrophobicContact CG2-CE 4.41Å
148P47.2Very low44Very low81 Ų81143.7 Ų143.753%0.52675%0.749SS.*  -124.9172-111.240.5-32.6000121.6M284P148-M284 HydrophobicContact CB-CE 3.58Å; P148-M284 HydrophobicContact CB-SD 4.05Å
149T45.1Very low43.9Very low121 Ų121144.9 Ų144.974%0.74275%0.746SS**  trans89.6148.4149.942.70000122.2
150P42.9Very low44.6Very low124 Ų124146 Ų14681%0.80575%0.751SS**  trans-138.9-174-138.245.3-27000117.9
151A42.2Very low44.1Very low100 Ų100148 Ų14883%0.82675%0.752SS**  trans-156.2118.916500000116.8
152N40.2Very low44.9Very low141 Ų141145.6 Ų145.675%0.75475%0.751SS**  trans-0.6134.1148.9176.189.6000124.1
153E46.9Very low44.7Very low172 Ų172145 Ų14580%0.80475%0.748SS**  trans-161.8128.8138.8-104169.1-172.300108.3
154Q43.7Very low45Very low146 Ų146144.1 Ų144.168%0.68275%0.749SS**  54.2137.890.6-63.3-157.1-107.100115.9
155N45.7Very low45.4Very low103 Ų103145.4 Ų145.455%0.55174%0.744SS**  cis-161-178.9-1-115.623.2000109.1
156E44.3Very low45.7Very low157 Ų157144.5 Ų144.573%0.73474%0.743SS**  cis-137.3-107.410.6-167.886.5-121.400111.4
157E45.9Very low46Very low141 Ų141143.6 Ų143.666%0.65974%0.736SS**  cis-151.5-137.6-0.4-135.7-77137.100110.9
158Q42.9Very low46.4Very low160 Ų160146.8 Ų146.875%0.74876%0.756SS**  trans-98.9142.5-169.2-62.4161.137.400115.2
159K44.7Very low46.3Very low198 Ų198150 Ų15086%0.86177%0.768SS**  cis89.5100.412-162.8-153.5175.3-172.20118.5
160E51.9Low46.7Very low196 Ų196152.5 Ų152.592%0.91677%0.772SS**  trans-158.9151.1137.9-137.2169.3-157.600113.4
161E37.7Very low47Very low179 Ų179152.3 Ų152.384%0.83677%0.769SS**  trans-157.9139.7-178.9174.8-176.2-136.200109
162P55.1Low47.1Very low121 Ų121157 Ų15779%0.78677%0.77SS**  trans-131.3121.7166.835-19000114.9
163E42.2Very low47.8Very low187 Ų187158 Ų15887%0.87478%0.776SS**  trans-64.9154.6152.4-69.8-177.6102.900110.6
164N49.7Very low47.7Very low151 Ų151155.2 Ų155.281%0.80778%0.775SS**  trans-150.2106161.5-158.823.4000111.6
165E47.9Very low48.2Very low153 Ų153151.7 Ų151.772%0.71578%0.778SS**  trans-80128.4165.4-73.8-161.5123.900110K167E165-K167 IonicContact OE1-NZ 2.72Å; E165-K167 PolarHBondContact OE1-NZ 2.97Å; E165-K167 IonicContact OE2-NZ 2.7Å; E165-K167 PolarHBondContact OE2-NZ 3.08Å
166E56.2Low48.3Very low170 Ų170155.2 Ų155.279%0.79479%0.789SS**  trans-115.8115161.1-163.3174.4147.800110.6
167K50.1Low48.5Very low153 Ų153154 Ų15467%0.66579%0.788SS**  trans-110.7120.8171-68.7-177.9-179.764.80109.2E165E165-K167 IonicContact OE1-NZ 2.72Å; E165-K167 PolarHBondContact OE1-NZ 2.97Å; E165-K167 IonicContact OE2-NZ 2.7Å; E165-K167 PolarHBondContact OE2-NZ 3.08Å
168T51.3Low48.4Very low129 Ų129153.7 Ų153.779%0.79179%0.786SS**  trans-135.3144159.6-40.30000109.9
169D45.8Very low48.4Very low147 Ų147153.8 Ų153.879%0.78679%0.786SS**  trans-126.2119-166.9168.221.3000109.2
170E53.4Low48.5Very low175 Ų175151.9 Ų151.982%0.81878%0.78SS**  trans-136.4105.4167-77.7-145.3120.400113.1
171T48.7Very low48.5Very low120 Ų120148.7 Ų148.774%0.73678%0.777SS**  75.8132.9125.8-54.10000119.3
172K45.7Very low49Very low198 Ų198145.7 Ų145.786%0.86177%0.771SS**  trans-91.8149.2179.2-52161.5-174.7169.90111.1
173D54.3Low48.6Very low163 Ų163147.7 Ų147.787%0.87277%0.767SS**  trans-145.8167.6138.8-155.1-3.3000110.4
174S44.6Very low49Very low112 Ų112147.8 Ų147.878%0.78377%0.768SS**  trans-151.6117-167.359.10000115.3
175G55.1Low48.8Very low73 Ų73147.3 Ų147.375%0.75376%0.761SS**  trans-170.7136.3162.600000107.7
176K46Very low48.8Very low176 Ų176149 Ų14977%0.76577%0.769SS**  cis81.183.523.4-157.4-122.2170-142.80115.3
177D49.1Very low48.4Very low133 Ų133146 Ų14671%0.71177%0.766SS**  trans177.3172.7144.7-86.6-11.3000106.7
178E43.8Very low48.6Very low134 Ų134147.5 Ų147.563%0.62678%0.775SS**  -161.1148.3-57.8-137.3-171.1-131.200107.9
179Q43.9Very low48.4Very low161 Ų161149 Ų14975%0.75277%0.771SS**  trans66.6162.3167.4-50.3173.930.400116.4
180E47.1Very low48.8Very low158 Ų158150.6 Ų150.674%0.73878%0.779SS**  cis-129.1157.8-0.2-74.3-174.2107.400112
181P50.3Low48.5Very low129 Ų129148.1 Ų148.184%0.83877%0.767SS**  trans-118105.8160.135-21.2000112.2
182T49Very low48.6Very low116 Ų116149.9 Ų149.971%0.71277%0.772SS**  trans-90.7117.9-173.8-40.70000112.8
183K46.6Very low48.6Very low163 Ų163146.5 Ų146.571%0.70976%0.763SS**  trans-86.2140.2156.9-87.3-177.1151.8-1540109E185K183-E185 IonicContact NZ-OE2 2.59Å; K183-E185 PolarHBondContact NZ-OE2 3.11Å
184E50.8Low48.2Very low190 Ų190146.1 Ų146.189%0.88876%0.761SS**  trans-108.8130.8147.4-73.8-171.614000109.1
185E45.8Very low48.8Very low141 Ų141150.4 Ų150.466%0.65977%0.769SS**  trans-14067.1-179.4-172.2-179.9143.700107.1K183 S187K183-E185 IonicContact NZ-OE2 2.59Å; K183-E185 PolarHBondContact NZ-OE2 3.11Å; E185-S187 PolarHBondContact O-N 3.49Å
186E47.7Very low48.4Very low189 Ų189154.6 Ų154.688%0.88377%0.774SS**  trans-87.2110.3178.6-167.6164.1-13200110.2
187S46.9Very low48.6Very low105 Ų105149.8 Ų149.873%0.73477%0.767SS**  trans-126.283.4178.246.60000110.1E185E185-S187 PolarHBondContact O-N 3.49Å
188E54.4Low48.6Very low186 Ų186149.9 Ų149.987%0.86977%0.772SS**  trans-99.3143.7167.3-168.6155.6-138.700112.1
189K47.5Very low48.9Very low159 Ų159149.4 Ų149.469%0.69178%0.779SS**  trans-106.9106.7-163176.7-154.2172.6-150.30109.9E191K189-E191 VanDerWaalsContact CE-OE2 3.25Å; K189-E191 WeakPolarHBondContact CE-OE2 3.3Å; K189-E191 IonicContact NZ-OE2 2.62Å; K189-E191 PolarHBondContact NZ-OE2 3.3Å
190L54.6Low49.7Very low182 Ų182147.2 Ų147.295%0.95378%0.779SS**  trans-110.7126.1163.1-91.3169.5000111.7
191E46Very low50Low123 Ų123147.9 Ų147.958%0.57578%0.782SS**  trans-112.2124.3-166.8171.6-179.2158.200108.3K189K189-E191 VanDerWaalsContact CE-OE2 3.25Å; K189-E191 WeakPolarHBondContact CE-OE2 3.3Å; K189-E191 IonicContact NZ-OE2 2.62Å; K189-E191 PolarHBondContact NZ-OE2 3.3Å
192N51.4Low50.3Low156 Ų156147.3 Ų147.383%0.83478%0.778SS**  trans-171160.4145.9-99.2-58.7000110.8
193N46Very low50.5Low128 Ų128150.7 Ų150.768%0.68479%0.786SS**  trans-105.6172.8-162-53.6-83.9000113.7
194D45.6Very low50.8Low154 Ų154150.8 Ų150.882%0.82479%0.789SS**  trans54.1112.5151.2-58.5-41.4000119.1
195E56.5Low51Low202 Ų202148 Ų14894%0.94479%0.787SS**  -148.6176.6109.6-125.6174.7-164.300112
196D46.7Very low51.2Low162 Ų162147.5 Ų147.587%0.86679%0.794SS**  trans-77.3173.2-143.1-136.7-42.3000117.8
197A50.8Low51Low75 Ų75142 Ų14262%0.6279%0.789SS**  trans-64.5154.8-17400000115.9
198T49.8Very low51.4Low134 Ų134145.2 Ų145.282%0.82279%0.792SS**  -160.4125.1115.8-73.10000110.1
199T49.6Very low51.4Low124 Ų124143.5 Ų143.576%0.76178%0.784SS**PPolyproline II helixtrans-73.3126171.1-53.20000109.8E201T199-E201 PolarHBondContact O-N 3.21Å
200P61.7Low52.1Low115 Ų115138.9 Ų138.975%0.74778%0.781SS**PPolyproline II helixtrans-68.9116.916628.5-31.7000109.2
201E53.4Low52.6Low172 Ų172134 Ų13480%0.80476%0.76SS**PPolyproline II helixtrans-64.3134.2172.4-170.2169.2-153.100109.4T199 Q203T199-E201 PolarHBondContact O-N 3.21Å; E201-Q203 PolarHBondContact O-N 2.95Å
202P55.8Low53.4Low117 Ų117134.3 Ų134.376%0.7676%0.76SS**  trans-68.8105.1-177.827.5-33.9000109.9E204P202-E204 PolarHBondContact O-N 3.44Å
203Q54.1Low54Low188 Ų188134.3 Ų134.388%0.87976%0.755SS**  trans-63.5119.8174.1-71.1-171.2-4500110.1E201E201-Q203 PolarHBondContact O-N 2.95Å
204E52.3Low54.8Low165 Ų165133.7 Ų133.777%0.77175%0.751SS**  trans-61.6133.9167.3-63.5-172.7133.200109.3P202 T206P202-E204 PolarHBondContact O-N 3.44Å; E204-T206 PolarHBondContact O-N 3.45Å; E204-T206 PolarHBondContact O-OG1 3.06Å
205P55.8Low55.7Low131 Ų131132 Ų13285%0.85174%0.741SS**  trans-68.884.4173.129.2-33.9000109.4G207P205-G207 PolarHBondContact O-N 3.11Å
206T48.4Very low56.1Low130 Ų130127.6 Ų127.680%0.79872%0.724SS**  trans-68.896.7-178.7-58.10000108.4E204E204-T206 PolarHBondContact O-N 3.45Å; E204-T206 PolarHBondContact O-OG1 3.06Å
207G44.1Very low56.9Low75 Ų75127.1 Ų127.177%0.77371%0.711SS**  trans-76.6129.1-160.700000115.6P205P205-G207 PolarHBondContact O-N 3.11Å
208E55Low57.8Low171 Ų171129.1 Ų129.180%0.79971%0.705SS**  trans-140.316.7165.8-143.1-171.8163.100114.2
209E55Low58.8Low151 Ų151129.7 Ų129.771%0.70670%0.696SS**  trans-99.1-20.4-177.8-59.1-154.311400114.7P211 K212E209-P211 WeakPolarHBondContact O-CD 3.49Å; E209-P211 VanDerWaalsContact O-N 3.11Å; E209-K212 PolarHBondContact O-N 3.21Å; E209-K212 VanDerWaalsContact O-N 3.11Å
210G61.8Low59.8Low62 Ų62130.3 Ų130.364%0.63969%0.688SS**Hα-helixtrans-49-34.9-17700000118.2K212G210-K212 PolarHBondContact O-N 3.44Å
211P64.6Low60.2Low78 Ų78129 Ų12951%0.50667%0.673SS.*Hα-helixtrans-77.5-17.1-178.829.5-35000114.2E209 L215E209-P211 WeakPolarHBondContact O-CD 3.49Å; E209-P211 VanDerWaalsContact O-N 3.11Å; P211-L215 WeakPolarHBondContact O-CD1 3.42Å; P211-L215 VanDerWaalsContact O-CG 3.28Å; P211-L215 WeakPolarHBondContact O-CG 3.36Å; P211-L215 PolarHBondContact O-N 3.16Å
212K64.2Low60.5Low131 Ų131127.4 Ų127.457%0.5767%0.667SS**Hα-helixtrans-79.7-46.4-172.1-68.7174.3-172.7158.60112.6E209 G210 L214 L215 L216E209-K212 PolarHBondContact O-N 3.21Å; E209-K212 VanDerWaalsContact O-N 3.11Å; G210-K212 PolarHBondContact O-N 3.44Å; K212-L214 VanDerWaalsContact C-N 3.35Å; K212-L215 PolarHBondContact O-N 2.6Å; K212-L216 PolarHBondContact O-N 2.9Å
213E62.5Low61.6Low156 Ų156128.4 Ų128.473%0.72966%0.659SS**Hα-helixtrans-64.2-40.7176.3-65.7-163129.400111.7L215 L216 Y217E213-L215 VanDerWaalsContact C-N 3.27Å; E213-L215 PolarHBondContact O-N 3.09Å; E213-L216 WeakPolarHBondContact O-CB 3.48Å; E213-L216 PolarHBondContact O-N 3.24Å; E213-L216 VanDerWaalsContact O-N 3.09Å; E213-Y217 WeakPolarHBondContact O-CB 3.45Å; E213-Y217 PolarHBondContact O-N 3.37Å
214L63.2Low62.9Low114 Ų114122.8 Ų122.860%0.59764%0.64SS**Hα-helixtrans-61.6-35.5177-161.276.4000112.3K212 K218K212-L214 VanDerWaalsContact C-N 3.35Å; L214-K218 PolarHBondContact O-N 3.43Å; L214-K218 VanDerWaalsContact O-N 3.08Å
215L63.7Low64.3Low120 Ų120122.1 Ų122.163%0.62863%0.632SS**Hα-helixtrans-72.8-35.9173.3-76.1171000112.7P211 K212 E213 K219P211-L215 WeakPolarHBondContact O-CD1 3.42Å; P211-L215 VanDerWaalsContact O-CG 3.28Å; P211-L215 WeakPolarHBondContact O-CG 3.36Å; P211-L215 PolarHBondContact O-N 3.16Å; K212-L215 PolarHBondContact O-N 2.6Å; E213-L215 VanDerWaalsContact C-N 3.27Å; E213-L215 PolarHBondContact O-N 3.09Å; L215-K219 WeakPolarHBondContact O-CB 3.48Å; L215-K219 PolarHBondContact O-N 3.37Å
216L66.8Low65.7Low109 Ų109125.4 Ų125.457%0.57163%0.627SS**Hα-helixtrans-65.5-41.7172.6-77.2167.4000111.6K212 E213 K219 K220K212-L216 PolarHBondContact O-N 2.9Å; E213-L216 WeakPolarHBondContact O-CB 3.48Å; E213-L216 PolarHBondContact O-N 3.24Å; E213-L216 VanDerWaalsContact O-N 3.09Å; L216-K219 PolarHBondContact O-N 3.37Å; L216-K220 PolarHBondContact O-N 3.05Å
217Y63.5Low67.5Low152 Ų152127.7 Ų127.760%0.59662%0.623SS**Hα-helixtrans-60.1-54.8175.9-162.5-92.9000110.8E213 K219 K220 E221E213-Y217 WeakPolarHBondContact O-CB 3.45Å; E213-Y217 PolarHBondContact O-N 3.37Å; Y217-K219 PolarHBondContact O-N 3.31Å; Y217-K220 WeakPolarHBondContact O-CA 3.28Å; Y217-K220 WeakPolarHBondContact O-CB 3.43Å; Y217-K220 PolarHBondContact O-N 3.2Å; Y217-E221 HydrophobicContact CD1-CG 4.12Å; Y217-E221 HydrophobicContact CE1-CG 4.07Å; Y217-E221 VanDerWaalsContact CE1-OE1 3.26Å; Y217-E221 WeakPolarHBondContact CE1-OE1 3.29Å; Y217-E221 PolarHBondContact O-N 2.96Å
218K68.1Low69.4Low116 Ų116129.6 Ų129.650%0.50461%0.607SS.*Hα-helixtrans-58.7-31.8174.9-73.7-166.7171.4-167.20113.7L214 E221 M222L214-K218 PolarHBondContact O-N 3.43Å; L214-K218 VanDerWaalsContact O-N 3.08Å; K218-E221 WeakPolarHBondContact CA-OE2 3.43Å; K218-E221 WeakPolarHBondContact CG-OE2 3.47Å; K218-M222 WeakPolarHBondContact O-CB 3.49Å; K218-M222 WeakPolarHBondContact O-CG 3.24Å; K218-M222 PolarHBondContact O-N 2.85Å
219K70.4Confident71.1Confident146 Ų146127.3 Ų127.364%0.63559%0.594SS**Hα-helixtrans-74.5-25175.4-168.7177180-174.40113L215 L216 Y217L215-K219 WeakPolarHBondContact O-CB 3.48Å; L215-K219 PolarHBondContact O-N 3.37Å; L216-K219 PolarHBondContact O-N 3.37Å; Y217-K219 PolarHBondContact O-N 3.31Å
220K70.9Confident72.8Confident137 Ų137122.9 Ų122.960%0.59658%0.583SS**Hα-helixtrans-74.1-47167.2-72.8-170.1175.8-168.80110.8L216 Y217 M222 K223 S224L216-K220 PolarHBondContact O-N 3.05Å; Y217-K220 WeakPolarHBondContact O-CA 3.28Å; Y217-K220 WeakPolarHBondContact O-CB 3.43Å; Y217-K220 PolarHBondContact O-N 3.2Å; K220-M222 PolarHBondContact O-N 3.26Å; K220-K223 WeakPolarHBondContact O-CB 3.44Å; K220-K223 PolarHBondContact O-N 2.93Å; K220-S224 PolarHBondContact O-N 2.94Å; K220-S224 VanDerWaalsContact O-N 3.09Å
221E71.2Confident74.1Confident89 Ų89123.4 Ų123.442%0.41657%0.568SS.*Hα-helixtrans-56.9-44.5176.8-65.5175.7132.900112.8Y217 K218 K223 S224 Y225Y217-E221 HydrophobicContact CD1-CG 4.12Å; Y217-E221 HydrophobicContact CE1-CG 4.07Å; Y217-E221 VanDerWaalsContact CE1-OE1 3.26Å; Y217-E221 WeakPolarHBondContact CE1-OE1 3.29Å; Y217-E221 PolarHBondContact O-N 2.96Å; K218-E221 WeakPolarHBondContact CA-OE2 3.43Å; K218-E221 WeakPolarHBondContact CG-OE2 3.47Å; E221-K223 PolarHBondContact O-N 2.87Å; E221-S224 PolarHBondContact O-N 2.79Å; E221-S224 PolarHBondContact O-OG 3.29Å; E221-Y225 PolarHBondContact O-N 3Å
222M59.9Low75.3Confident138 Ų138125.9 Ų125.968%0.6857%0.568SS**Hα-helixtrans-66.7-16.5176.9-73.9-171.5-177.700114.2K218 K220 R226K218-M222 WeakPolarHBondContact O-CB 3.49Å; K218-M222 WeakPolarHBondContact O-CG 3.24Å; K218-M222 PolarHBondContact O-N 2.85Å; K220-M222 PolarHBondContact O-N 3.26Å; M222-R226 WeakPolarHBondContact O-CG 3.45Å
223K77.5Confident76.7Confident137 Ų137124.4 Ų124.460%0.59657%0.566SS**Hα-helixtrans-81.6-53.2168.7-73.7-177.7174.3-171.20110.5K220 E221 Y225 R226 Y227K220-K223 WeakPolarHBondContact O-CB 3.44Å; K220-K223 PolarHBondContact O-N 2.93Å; E221-K223 PolarHBondContact O-N 2.87Å; K223-Y225 VanDerWaalsContact C-N 3.29Å; K223-Y225 PolarHBondContact O-N 3.05Å; K223-R226 WeakPolarHBondContact O-CB 3.48Å; K223-R226 PolarHBondContact O-N 3.06Å; K223-Y227 VanDerWaalsContact O-CD2 3.29Å; K223-Y227 WeakPolarHBondContact O-CD2 3.44Å; K223-Y227 PolarHBondContact O-N 2.83Å
224S82.4Confident78Confident70 Ų70119.8 Ų119.849%0.4954%0.544SS..Hα-helixtrans-57.9-41-176.957.40000111.8K220 E221 R226 Y227 W228K220-S224 PolarHBondContact O-N 2.94Å; K220-S224 VanDerWaalsContact O-N 3.09Å; E221-S224 PolarHBondContact O-N 2.79Å; E221-S224 PolarHBondContact O-OG 3.29Å; S224-R226 VanDerWaalsContact C-N 3.28Å; S224-R226 PolarHBondContact O-N 3.36Å; S224-Y227 PolarHBondContact O-N 3.22Å; S224-W228 WeakPolarHBondContact O-CB 3.45Å; S224-W228 PolarHBondContact O-N 3.23Å
225Y81.6Confident79.2Confident152 Ų152115.6 Ų115.660%0.59652%0.522SS*.Hα-helixtrans-61-32.2176.4-172.2-111.9000113.9E221 K223 K229E221-Y225 PolarHBondContact O-N 3Å; K223-Y225 VanDerWaalsContact C-N 3.29Å; K223-Y225 PolarHBondContact O-N 3.05Å; Y225-K229 WeakPolarHBondContact O-CB 3.47Å; Y225-K229 PolarHBondContact O-N 3.23Å
226R84.1Confident80.5Confident199 Ų199115.7 Ų115.775%0.75152%0.52SS*.Hα-helixtrans-71-43175.2-71.9-177.9179.1-153.1-0.6112M222 K223 S224 A230M222-R226 WeakPolarHBondContact O-CG 3.45Å; K223-R226 WeakPolarHBondContact O-CB 3.48Å; K223-R226 PolarHBondContact O-N 3.06Å; S224-R226 VanDerWaalsContact C-N 3.28Å; S224-R226 PolarHBondContact O-N 3.36Å; R226-A230 WeakPolarHBondContact O-CB 3.34Å; R226-A230 PolarHBondContact O-N 3.19Å
227Y86.1Confident81.7Confident178 Ų178115.7 Ų115.770%0.69852%0.52SS*.Hα-helixtrans-65.3-42.9174.6-72.5-76000111.3K223 S224 K229 A230 F231K223-Y227 VanDerWaalsContact O-CD2 3.29Å; K223-Y227 WeakPolarHBondContact O-CD2 3.44Å; K223-Y227 PolarHBondContact O-N 2.83Å; S224-Y227 PolarHBondContact O-N 3.22Å; Y227-K229 PolarHBondContact O-N 2.97Å; Y227-A230 PolarHBondContact O-N 2.82Å; Y227-F231 WeakPolarHBondContact O-CB 3.49Å; Y227-F231 PolarHBondContact O-N 3.25Å
228W85.4Confident82.9Confident116 Ų116109.9 Ų109.944%0.43950%0.499SS..Hα-helixtrans-60.3-45.2176.6-167.1-107.5000112.3S224 A230 F231 Y232 I465S224-W228 WeakPolarHBondContact O-CB 3.45Å; S224-W228 PolarHBondContact O-N 3.23Å; W228-A230 PolarHBondContact O-N 3.33Å; W228-F231 PolarHBondContact O-N 3.09Å; W228-Y232 HydrophobicContact CD2-CD2 4.36Å; W228-Y232 HydrophobicContact CD2-CE2 4.28Å; W228-Y232 AromaticContact CE2-CD2 3.97Å; W228-Y232 AromaticContact CE2-CE2 3.49Å; W228-Y232 VanDerWaalsContact CE2-CE2 3.49Å; W228-Y232 HydrophobicContact CG-CD2 4.48Å; W228-Y232 HydrophobicContact CH2-CE2 4.42Å; W228-Y232 HydrophobicContact CZ2-CD2 4.44Å; W228-Y232 AromaticContact CZ2-CE2 3.59Å; W228-Y232 HydrophobicContact CZ2-CE2 3.59Å; W228-Y232 AromaticContact NE1-CD2 3.76Å; W228-Y232 AromaticContact NE1-CE2 3.44Å; W228-Y232 PolarHBondContact O-N 2.97Å; W228-I465 HydrophobicContact CZ3-CG2 4.47Å
229K90.3Very high83.7Confident123 Ų123109 Ų10954%0.53550%0.498SS..Hα-helixtrans-65.6-37.1175.8-175.2160.8-176.2160.50112.8Y225 Y227 L233Y225-K229 WeakPolarHBondContact O-CB 3.47Å; Y225-K229 PolarHBondContact O-N 3.23Å; Y227-K229 PolarHBondContact O-N 2.97Å; K229-L233 HydrophobicContact CG-CD1 4.37Å; K229-L233 WeakPolarHBondContact O-CG 3.47Å; K229-L233 PolarHBondContact O-N 2.94Å; K229-L233 VanDerWaalsContact O-N 3.1Å
230A90.6Very high84.5Confident58 Ų58106.4 Ų106.448%0.47949%0.491SS..Hα-helixtrans-68-39.717400000112.1R226 Y227 W228 L233 F234R226-A230 WeakPolarHBondContact O-CB 3.34Å; R226-A230 PolarHBondContact O-N 3.19Å; Y227-A230 PolarHBondContact O-N 2.82Å; W228-A230 PolarHBondContact O-N 3.33Å; A230-L233 PolarHBondContact O-N 2.95Å; A230-F234 WeakPolarHBondContact O-CB 3.38Å; A230-F234 PolarHBondContact O-N 3.29Å
231F88.7Confident85.1Confident72 Ų72101.9 Ų101.932%0.31648%0.479SS..Hα-helixtrans-63.6-46.6175.1179.9-100.7000111.6Y227 W228 L233 F234 I235 M462Y227-F231 WeakPolarHBondContact O-CB 3.49Å; Y227-F231 PolarHBondContact O-N 3.25Å; W228-F231 PolarHBondContact O-N 3.09Å; F231-L233 PolarHBondContact O-N 2.99Å; F231-F234 WeakPolarHBondContact O-CB 3.26Å; F231-F234 PolarHBondContact O-N 3.29Å; F231-F234 VanDerWaalsContact O-N 3.12Å; F231-I235 HydrophobicContact CD1-CG1 4.23Å; F231-I235 HydrophobicContact CE1-CD1 4.42Å; F231-I235 HydrophobicContact CE1-CG1 3.85Å; F231-I235 HydrophobicContact CE2-CD1 4.19Å; F231-I235 HydrophobicContact CE2-CG1 4.24Å; F231-I235 HydrophobicContact CZ-CD1 3.93Å; F231-I235 HydrophobicContact CZ-CG1 3.86Å; F231-I235 WeakPolarHBondContact O-CG1 3.46Å; F231-I235 PolarHBondContact O-N 3.03Å; F231-M462 HydrophobicContact CE1-CG 4.4Å; F231-M462 HydrophobicContact CE1-SD 4.04Å; F231-M462 HydrophobicContact CZ-CG 4.45Å; F231-M462 HydrophobicContact CZ-SD 4.31Å
232Y90.3Very high85.5Confident131 Ų131102.6 Ų102.651%0.51448%0.481SS..Hα-helixtrans-58.6-44.2173.9-101.3-103.1000112.5W228 F234 I235 M236W228-Y232 HydrophobicContact CD2-CD2 4.36Å; W228-Y232 HydrophobicContact CD2-CE2 4.28Å; W228-Y232 AromaticContact CE2-CD2 3.97Å; W228-Y232 AromaticContact CE2-CE2 3.49Å; W228-Y232 VanDerWaalsContact CE2-CE2 3.49Å; W228-Y232 HydrophobicContact CG-CD2 4.48Å; W228-Y232 HydrophobicContact CH2-CE2 4.42Å; W228-Y232 HydrophobicContact CZ2-CD2 4.44Å; W228-Y232 AromaticContact CZ2-CE2 3.59Å; W228-Y232 HydrophobicContact CZ2-CE2 3.59Å; W228-Y232 AromaticContact NE1-CD2 3.76Å; W228-Y232 AromaticContact NE1-CE2 3.44Å; W228-Y232 PolarHBondContact O-N 2.97Å; Y232-F234 VanDerWaalsContact C-N 3.32Å; Y232-F234 PolarHBondContact O-N 3.08Å; Y232-I235 PolarHBondContact O-N 3.47Å; Y232-M236 WeakPolarHBondContact O-CB 3.43Å; Y232-M236 VanDerWaalsContact O-CG 3.27Å; Y232-M236 WeakPolarHBondContact O-CG 3.47Å; Y232-M236 PolarHBondContact O-N 3.43Å
233L93.4Very high86.5Confident100 Ų100102.8 Ų102.852%0.52449%0.485SS..Hα-helixtrans-60.8-40174.4-81162.1000112.1K229 A230 F231 I237K229-L233 HydrophobicContact CG-CD1 4.37Å; K229-L233 WeakPolarHBondContact O-CG 3.47Å; K229-L233 PolarHBondContact O-N 2.94Å; K229-L233 VanDerWaalsContact O-N 3.1Å; A230-L233 PolarHBondContact O-N 2.95Å; F231-L233 PolarHBondContact O-N 2.99Å; L233-I237 WeakPolarHBondContact O-CB 3.19Å; L233-I237 WeakPolarHBondContact O-CD1 3.48Å; L233-I237 WeakPolarHBondContact O-CG1 3.33Å; L233-I237 PolarHBondContact O-N 3.32Å
234F90.3Very high86Confident59 Ų59102.6 Ų102.626%0.25949%0.486SS..Hα-helixtrans-65.5-45.1175.9177.2-107.8000112.5A230 F231 Y232 M236 I237 L238A230-F234 WeakPolarHBondContact O-CB 3.38Å; A230-F234 PolarHBondContact O-N 3.29Å; F231-F234 WeakPolarHBondContact O-CB 3.26Å; F231-F234 PolarHBondContact O-N 3.29Å; F231-F234 VanDerWaalsContact O-N 3.12Å; Y232-F234 VanDerWaalsContact C-N 3.32Å; Y232-F234 PolarHBondContact O-N 3.08Å; F234-M236 PolarHBondContact O-N 3.38Å; F234-I237 PolarHBondContact O-N 3.42Å; F234-L238 HydrophobicContact CD1-CD1 4.09Å; F234-L238 HydrophobicContact CE1-CD1 3.54Å; F234-L238 HydrophobicContact CE1-CG 4.26Å; F234-L238 HydrophobicContact CE2-CD1 4.45Å; F234-L238 HydrophobicContact CE2-CG 4.37Å; F234-L238 HydrophobicContact CZ-CD1 3.75Å; F234-L238 HydrophobicContact CZ-CD2 4.35Å; F234-L238 HydrophobicContact CZ-CG 4.14Å; F234-L238 WeakPolarHBondContact O-CG 3.25Å; F234-L238 PolarHBondContact O-N 3.22Å
235I89Confident85.1Confident26 Ų26106.2 Ų106.213%0.13349%0.492CS..Hα-helixtrans-62.7-42.2176-63.8-61.3000111.2F231 Y232 I237 L238 M239F231-I235 HydrophobicContact CD1-CG1 4.23Å; F231-I235 HydrophobicContact CE1-CD1 4.42Å; F231-I235 HydrophobicContact CE1-CG1 3.85Å; F231-I235 HydrophobicContact CE2-CD1 4.19Å; F231-I235 HydrophobicContact CE2-CG1 4.24Å; F231-I235 HydrophobicContact CZ-CD1 3.93Å; F231-I235 HydrophobicContact CZ-CG1 3.86Å; F231-I235 WeakPolarHBondContact O-CG1 3.46Å; F231-I235 PolarHBondContact O-N 3.03Å; Y232-I235 PolarHBondContact O-N 3.47Å; I235-I237 PolarHBondContact O-N 2.93Å; I235-L238 PolarHBondContact O-N 3.47Å; I235-M239 HydrophobicContact CG2-CG 4.48Å; I235-M239 HydrophobicContact CG2-SD 4.25Å; I235-M239 WeakPolarHBondContact O-CG 3.34Å; I235-M239 PolarHBondContact O-N 3.28Å
236M89.8Confident84Confident122 Ų122106.7 Ų106.760%0.60150%0.5SS*.Hα-helixtrans-60.9-42.8174.9-71.7-65.3-65.200112.3Y232 F234 M239 D240Y232-M236 WeakPolarHBondContact O-CB 3.43Å; Y232-M236 VanDerWaalsContact O-CG 3.27Å; Y232-M236 WeakPolarHBondContact O-CG 3.47Å; Y232-M236 PolarHBondContact O-N 3.43Å; F234-M236 PolarHBondContact O-N 3.38Å; M236-M239 PolarHBondContact O-N 3.34Å; M236-D240 WeakPolarHBondContact O-CB 3.4Å; M236-D240 PolarHBondContact O-N 2.55Å
237I91.8Very high83Confident109 Ų109106.7 Ų106.756%0.55951%0.506SS*.Hα-helixtrans-65.5-37.8176.2-70.2163.6000111.4L233 F234 I235 A241L233-I237 WeakPolarHBondContact O-CB 3.19Å; L233-I237 WeakPolarHBondContact O-CD1 3.48Å; L233-I237 WeakPolarHBondContact O-CG1 3.33Å; L233-I237 PolarHBondContact O-N 3.32Å; F234-I237 PolarHBondContact O-N 3.42Å; I235-I237 PolarHBondContact O-N 2.93Å; I237-A241 VanDerWaalsContact O-CB 3.25Å; I237-A241 WeakPolarHBondContact O-CB 3.28Å; I237-A241 PolarHBondContact O-N 2.89Å
238L88.6Confident81.8Confident29 Ų29103.8 Ų103.815%0.15251%0.509CS..Hα-helixtrans-64.5-46.7173.6-74-179.2000111.5F234 I235 A241 F242F234-L238 HydrophobicContact CD1-CD1 4.09Å; F234-L238 HydrophobicContact CE1-CD1 3.54Å; F234-L238 HydrophobicContact CE1-CG 4.26Å; F234-L238 HydrophobicContact CE2-CD1 4.45Å; F234-L238 HydrophobicContact CE2-CG 4.37Å; F234-L238 HydrophobicContact CZ-CD1 3.75Å; F234-L238 HydrophobicContact CZ-CD2 4.35Å; F234-L238 HydrophobicContact CZ-CG 4.14Å; F234-L238 WeakPolarHBondContact O-CG 3.25Å; F234-L238 PolarHBondContact O-N 3.22Å; I235-L238 PolarHBondContact O-N 3.47Å; L238-A241 CarbonylContact O-C 3.56Å; L238-A241 PolarHBondContact O-N 3.03Å; L238-F242 HydrophobicContact CB-CE2 4.47Å; L238-F242 WeakPolarHBondContact O-CD2 3.45Å; L238-F242 PolarHBondContact O-N 3.49Å
239M85.3Confident80.7Confident98 Ų98107.6 Ų107.648%0.48353%0.531SS..Hα-helixtrans-61.3-45.9-180-73-17666.500112.1I235 M236 A241 F242 D243I235-M239 HydrophobicContact CG2-CG 4.48Å; I235-M239 HydrophobicContact CG2-SD 4.25Å; I235-M239 WeakPolarHBondContact O-CG 3.34Å; I235-M239 PolarHBondContact O-N 3.28Å; M236-M239 PolarHBondContact O-N 3.34Å; M239-A241 VanDerWaalsContact C-N 3.35Å; M239-A241 PolarHBondContact O-N 3.47Å; M239-F242 PolarHBondContact O-N 3.21Å; M239-F242 VanDerWaalsContact O-N 3.13Å; M239-D243 PolarHBondContact O-N 3.01Å
240D86.6Confident79Confident91 Ų91109.5 Ų109.549%0.48755%0.547SS..Hα-helixtrans-57.1-46.5172.6-17775.9000111.2M236 F242 D243 H244M236-D240 WeakPolarHBondContact O-CB 3.4Å; M236-D240 PolarHBondContact O-N 2.55Å; D240-F242 PolarHBondContact O-N 2.89Å; D240-F242 VanDerWaalsContact O-N 3.17Å; D240-D243 PolarHBondContact O-N 3.36Å; D240-H244 PolarHBondContact O-CD2 3.17Å; D240-H244 PolarHBondContact O-N 3.18Å; D240-H244 VanDerWaalsContact O-N 3.1Å; D240-H244 IonicContact OD1-CD2 3.39Å; D240-H244 IonicContact OD1-CE1 3.28Å; D240-H244 IonicContact OD1-NE2 2.59Å; D240-H244 PolarHBondContact OD1-NE2 3.09Å; D240-H244 IonicContact OD2-CD2 2.6Å; D240-H244 PolarHBondContact OD2-CD2 2.93Å; D240-H244 IonicContact OD2-NE2 2.7Å; D240-H244 PolarHBondContact OD2-NE2 3.45Å
241A84.6Confident77.2Confident43 Ų43109.6 Ų109.636%0.35555%0.554SS.*Hα-helixtrans-68.9-10.117800000115.5I237 L238 M239I237-A241 VanDerWaalsContact O-CB 3.25Å; I237-A241 WeakPolarHBondContact O-CB 3.28Å; I237-A241 PolarHBondContact O-N 2.89Å; L238-A241 CarbonylContact O-C 3.56Å; L238-A241 PolarHBondContact O-N 3.03Å; M239-A241 VanDerWaalsContact C-N 3.35Å; M239-A241 PolarHBondContact O-N 3.47Å
242F78.2Confident75.6Confident104 Ų104114.2 Ų114.246%0.45658%0.577SS.*Hα-helixtrans-93.9-40.8167.5-76.5-65.5000112L238 M239 D240 H244 K245L238-F242 HydrophobicContact CB-CE2 4.47Å; L238-F242 WeakPolarHBondContact O-CD2 3.45Å; L238-F242 PolarHBondContact O-N 3.49Å; M239-F242 PolarHBondContact O-N 3.21Å; M239-F242 VanDerWaalsContact O-N 3.13Å; D240-F242 PolarHBondContact O-N 2.89Å; D240-F242 VanDerWaalsContact O-N 3.17Å; F242-H244 VanDerWaalsContact C-N 3.32Å; F242-H244 PolarHBondContact O-N 2.96Å; F242-K245 WeakPolarHBondContact O-CB 3.48Å; F242-K245 PolarHBondContact O-N 3.22Å
243D81.3Confident73.8Confident141 Ų141114.8 Ų114.875%0.75458%0.584SS**Hα-helixtrans-65.1-33.8-179.3-157.945.9000112.2M239 D240 K245M239-D243 PolarHBondContact O-N 3.01Å; D240-D243 PolarHBondContact O-N 3.36Å; D243-K245 PolarHBondContact O-N 3.45Å
244H67.6Low72.2Confident133 Ų133116.9 Ų116.962%0.61659%0.591SS**THydrogen-bonded Turntrans-70.810.2171.1-62.7-53.8000114.7D240 F242D240-H244 PolarHBondContact O-CD2 3.17Å; D240-H244 PolarHBondContact O-N 3.18Å; D240-H244 VanDerWaalsContact O-N 3.1Å; D240-H244 IonicContact OD1-CD2 3.39Å; D240-H244 IonicContact OD1-CE1 3.28Å; D240-H244 IonicContact OD1-NE2 2.59Å; D240-H244 PolarHBondContact OD1-NE2 3.09Å; D240-H244 IonicContact OD2-CD2 2.6Å; D240-H244 PolarHBondContact OD2-CD2 2.93Å; D240-H244 IonicContact OD2-NE2 2.7Å; D240-H244 PolarHBondContact OD2-NE2 3.45Å; F242-H244 VanDerWaalsContact C-N 3.32Å; F242-H244 PolarHBondContact O-N 2.96Å
245K63.7Low70.7Confident146 Ų146120.3 Ų120.364%0.63561%0.606SS**THydrogen-bonded Turntrans-129.942-175.2-69.4-174.1-175.2151.30115.7F242 D243F242-K245 WeakPolarHBondContact O-CB 3.48Å; F242-K245 PolarHBondContact O-N 3.22Å; D243-K245 PolarHBondContact O-N 3.45Å
246E58.6Low69.3Low162 Ų162127.1 Ų127.176%0.75764%0.637SS**  trans-166.9100.4134.1-109.3159-177.900112.2
247K63Low67.7Low199 Ų199127.5 Ų127.587%0.86564%0.642SS**PPolyproline II helixtrans-99.1126.8132.1-72-176178.8179.10106.1E249K247-E249 PolarHBondContact O-N 3.47Å
248P60Low65.8Low118 Ų118130.4 Ų130.477%0.76665%0.653SS**PPolyproline II helixtrans-58.6128.6165.326.6-32.4000107.5D250P248-D250 PolarHBondContact O-N 3.28Å
249E62.2Low64.2Low195 Ų195133.8 Ų133.891%0.91168%0.679SS**PPolyproline II helixtrans-66.5122.7173.9-165.4157.9-150.200107.4K247K247-E249 PolarHBondContact O-N 3.47Å
250D56.1Low62.6Low163 Ų163138.5 Ų138.587%0.87269%0.691SS**PPolyproline II helixtrans-64.8140.5-161.7-155.4-6.2000111.4P248 E252P248-D250 PolarHBondContact O-N 3.28Å; D250-E252 PolarHBondContact O-N 2.91Å; D250-E252 VanDerWaalsContact O-N 3.1Å
251G53.2Low61Low61 Ų61140.4 Ų140.463%0.62971%0.706SS**  trans-66.5105.6-142.800000116.3E253G251-E253 PolarHBondContact O-N 3.41Å
252E54.1Low60Low169 Ų169144.8 Ų144.879%0.7972%0.719SS**  trans-75.689.8165.3-168.8162.2-132.400110.3D250 H254D250-E252 PolarHBondContact O-N 2.91Å; D250-E252 VanDerWaalsContact O-N 3.1Å; E252-H254 PolarHBondContact O-N 3.33Å
253E53.6Low59Low143 Ų143149.7 Ų149.767%0.66874%0.74SS**  trans-62.289.9175-81.3-166.6114.400112G251 K255G251-E253 PolarHBondContact O-N 3.41Å; E253-K255 HydrophobicContact CB-CG 4.45Å; E253-K255 PolarHBondContact O-N 2.84Å; E253-K255 IonicContact OE1-NZ 2.67Å; E253-K255 PolarHBondContact OE1-NZ 3.14Å; E253-K255 IonicContact OE2-NZ 2.66Å; E253-K255 PolarHBondContact OE2-NZ 3.09Å
254H58.2Low58.4Low144 Ų144151.4 Ų151.467%0.66774%0.741SS**  trans-68.278.7164.6-104.3-91.9000111E252 E256E252-H254 PolarHBondContact O-N 3.33Å; H254-E256 PolarHBondContact O-N 3Å
255K59.4Low58.1Low130 Ų130153.5 Ų153.557%0.56575%0.751SS**  trans-70.769.5172.4-77.7-165.7164.485.10111.7E253 N257E253-K255 HydrophobicContact CB-CG 4.45Å; E253-K255 PolarHBondContact O-N 2.84Å; E253-K255 IonicContact OE1-NZ 2.67Å; E253-K255 PolarHBondContact OE1-NZ 3.14Å; E253-K255 IonicContact OE2-NZ 2.66Å; E253-K255 PolarHBondContact OE2-NZ 3.09Å; K255-N257 VanDerWaalsContact C-N 3.32Å; K255-N257 PolarHBondContact O-N 3.38Å; K255-N257 PolarHBondContact O-ND2 3.31Å
256E58.9Low57.8Low170 Ų170154.3 Ų154.379%0.79476%0.763SS**  trans-68.788.7167.5-65.7-150.7144.700110.3H254 E258H254-E256 PolarHBondContact O-N 3Å; E256-E258 PolarHBondContact O-N 2.88Å
257N57.2Low57.8Low130 Ų130150.1 Ų150.170%0.69576%0.763SS**  trans-73.188.6179.1-75.3-83.1000110.6K255 S259K255-N257 VanDerWaalsContact C-N 3.32Å; K255-N257 PolarHBondContact O-N 3.38Å; K255-N257 PolarHBondContact O-ND2 3.31Å; N257-S259 VanDerWaalsContact C-N 3.27Å; N257-S259 PolarHBondContact O-N 3.32Å; N257-S259 PolarHBondContact O-OG 3.03Å
258E52.2Low57.3Low170 Ų170150 Ų15079%0.79477%0.766SS**  trans-64.281.2176.9-160.7-167-179.600111.4E256 R260E256-E258 PolarHBondContact O-N 2.88Å; E258-R260 PolarHBondContact O-N 2.98Å
259S54.8Low57.2Low99 Ų99151.2 Ų151.269%0.69277%0.771SS**  trans-82.851.6-16936.10000113N257 T261N257-S259 VanDerWaalsContact C-N 3.27Å; N257-S259 PolarHBondContact O-N 3.32Å; N257-S259 PolarHBondContact O-OG 3.03Å; S259-T261 VanDerWaalsContact C-N 3.3Å; S259-T261 PolarHBondContact O-N 3.2Å; S259-T261 PolarHBondContact O-OG1 2.9Å
260R51.2Low56.9Low197 Ų197148.8 Ų148.874%0.74376%0.764SS**  trans-69.278.9178.3-173.2176.8171.3167.5-3.4111.9E258 E262E258-R260 PolarHBondContact O-N 2.98Å; R260-E262 PolarHBondContact O-N 3.02Å; R260-E262 VanDerWaalsContact O-N 3.15Å
261T53.3Low57.1Low132 Ų132146.3 Ų146.381%0.8176%0.76SS**  trans-78.193.8178.736.60000111.9S259 K263S259-T261 VanDerWaalsContact C-N 3.3Å; S259-T261 PolarHBondContact O-N 3.2Å; S259-T261 PolarHBondContact O-OG1 2.9Å; T261-K263 PolarHBondContact O-N 3.16Å
262E64.2Low57.1Low134 Ų134152 Ų15263%0.62677%0.77SS**  trans-61.8132.2163.5-78.5-159151.700110.7R260 K264R260-E262 PolarHBondContact O-N 3.02Å; R260-E262 VanDerWaalsContact O-N 3.15Å; E262-K264 IonicContact OE2-NZ 2.78Å; E262-K264 PolarHBondContact OE2-NZ 3.46Å
263K57.4Low57.1Low207 Ų207153.3 Ų153.390%0.977%0.773SS**  trans-71.8127166.2-65.4178.6180178.20109.6T261T261-K263 PolarHBondContact O-N 3.16Å
264K67.4Low56.9Low177 Ų177152 Ų15277%0.7778%0.777SS**  trans-124.4141156.1-73.1-177.1176111.40108.8E262E262-K264 IonicContact OE2-NZ 2.78Å; E262-K264 PolarHBondContact OE2-NZ 3.46Å
265E62.1Low56.3Low177 Ų177152.1 Ų152.183%0.82778%0.783SS**  trans-122.1148.6-165.1-177.3169.6-14600108.4
266D57.4Low55.8Low163 Ų163152.9 Ų152.987%0.87279%0.788SS**  trans59.6143.2178.9-68.2-21.8000119.1
267G58.6Low55.3Low74 Ų74152.1 Ų152.176%0.76379%0.785SS**  trans14958.817200000115.9T269G267-T269 PolarHBondContact O-N 3.29Å
268E52.2Low54.5Low198 Ų198151.9 Ų151.993%0.92579%0.788SS**  trans-62.6123167.5-73.8-176.2102.400111
269T58Low54.4Low143 Ų143152.7 Ų152.788%0.87779%0.792SS**  trans-153.7118.5139.3-240000112G267G267-T269 PolarHBondContact O-N 3.29Å
270D55.8Low53.8Low143 Ų143154.4 Ų154.477%0.76580%0.798SS**  trans-85127.5170.9165.939.2000111
271S60.3Low53.6Low112 Ų112150.7 Ų150.778%0.78380%0.799SS**  trans-178.2133.8137.7-83.30000112.2
272Q52.3Low53.3Low181 Ų181148.1 Ų148.185%0.84679%0.792SS**  trans-79142.5177.8-61.1173-32.200113
273K54.2Low52.3Low195 Ų195148.4 Ų148.485%0.84880%0.796SS**  trans-173.6119.6130-109.1-178.1178.7-161.70112.4
274P49Very low51.5Low117 Ų117144 Ų14476%0.7678%0.78SS**  trans-93.1133.5157.534.1-27.1000110
275D47.5Very low50.5Low146 Ų146140.9 Ų140.978%0.78178%0.776SS**  trans-161.4143.5157.8-115.7-30000111.9
276E48.4Very low49.7Very low146 Ų146139.9 Ų139.968%0.68278%0.776SS**  trans56.5120155.1-57-144.493.900123.3
277Q47.2Very low49.4Very low154 Ų154137.3 Ų137.372%0.7277%0.769SS**  trans67.8132.9135.5-59.1173.334.700121.3
278T42Very low48.8Very low124 Ų124138.9 Ų138.976%0.76177%0.766SS**  -178.9111.3114.9-68.60000112.1
279E49.4Very low48.5Very low187 Ų187138 Ų13887%0.87477%0.766SS**  trans33.7129.3142.2-53.5-178.412700123.8
280T42.8Very low47.8Very low135 Ų135136.4 Ų136.483%0.82876%0.757SS**  trans-92.6163.1165.5-20.10000112.1
281P45.4Very low47Very low119 Ų119136.8 Ų136.877%0.77376%0.758SS**  -148.4141.2106.135.7-18000115.6
282A47.3Very low46.3Very low79 Ų79136.9 Ų136.965%0.65375%0.75SS**  66.1112.910300000116.1
283I43.3Very low45.5Very low139 Ų139133.1 Ų133.171%0.71374%0.743SS**  82.5124.763.5-68163.8000114.5
284M41.3Very low45.1Very low115 Ų115130.2 Ų130.257%0.56774%0.736SS**  trans-153.5154.8144.4-85.5-148.667.700110T147 P148T147-M284 HydrophobicContact CG2-CE 4.41Å; P148-M284 HydrophobicContact CB-CE 3.58Å; P148-M284 HydrophobicContact CB-SD 4.05Å
285T46.6Very low44.6Very low112 Ų112131.8 Ų131.869%0.68774%0.738SS**  trans-144.1157.6-164.5-42.20000111.8
286D44.1Very low44.4Very low155 Ų155132.7 Ų132.783%0.82974%0.741SS**PPolyproline II helixtrans-83.6162.9175.4-98.4-46.7000114.5
287P50.8Low44Very low109 Ų109134.9 Ų134.971%0.70875%0.748SS**PPolyproline II helixtrans-92164.9-164.836.5-37.5000116.3
288P46.8Very low43.9Very low108 Ų108135.4 Ų135.470%0.70176%0.755SS**PPolyproline II helixtrans-88.6155.6-169.534.7-37.4000116.1
289L45.4Very low44.5Very low180 Ų180135.5 Ų135.594%0.94276%0.758SS**PPolyproline II helixtrans-69.6138.2168.2-79.4162.2000111.6
290T44.8Very low44.3Very low109 Ų109137.8 Ų137.867%0.66976%0.759SS**PPolyproline II helixtrans-103.1123.6-178.555.30000112.7N292T290-N292 PolarHBondContact O-N 3.21Å; T290-N292 PolarHBondContact OG1-ND2 3.48Å
291D37.7Very low44.3Very low150 Ų150137.5 Ų137.580%0.80276%0.762SS**  trans-7686.5178.8-150.6-23.8000111.4C293D291-C293 PolarHBondContact O-N 3.41Å
292N45.3Very low44.1Very low114 Ų114134.9 Ų134.961%0.6176%0.757SS**  trans-90.270.9-174.4-98.7-68000113.1T290 L294T290-N292 PolarHBondContact O-N 3.21Å; T290-N292 PolarHBondContact OG1-ND2 3.48Å; N292-L294 VanDerWaalsContact C-N 3.28Å; N292-L294 PolarHBondContact O-N 2.82Å
293C36.9Very low43.7Very low103 Ų103139.8 Ų139.870%0.69677%0.766SS**  trans-64.474.4170.5-79.50000113.8D291 N295D291-C293 PolarHBondContact O-N 3.41Å; C293-N295 PolarHBondContact O-N 3.28Å; C293-N295 PolarHBondContact O-ND2 3.49Å
294L46.2Very low43.5Very low133 Ų133139.7 Ų139.770%0.69677%0.772SS**  trans-101.775-177.4-87171.9000115N292 I296N292-L294 VanDerWaalsContact C-N 3.28Å; N292-L294 PolarHBondContact O-N 2.82Å; L294-I296 PolarHBondContact O-N 3.19Å
295N38.2Very low43.6Very low150 Ų150143 Ų14380%0.80279%0.786SS**  trans23.671.1135.5-73.9-84.2000118.7C293C293-N295 PolarHBondContact O-N 3.28Å; C293-N295 PolarHBondContact O-ND2 3.49Å
296I42.3Very low43.3Very low166 Ų166147 Ų14785%0.85179%0.794SS**  trans-82.8118.2162.6-60.8-178.2000109.2L294 L298L294-I296 PolarHBondContact O-N 3.19Å; I296-L298 PolarHBondContact O-N 3.46Å
297K40.6Very low43.3Very low192 Ų192151.6 Ų151.684%0.83580%0.8SS**  trans-77.4111.2-179-72.3174.9180168.20111.4P299K297-P299 WeakPolarHBondContact O-CD 3.49Å
298L44.5Very low42.7Very low164 Ų164151.5 Ų151.586%0.85980%0.802SS**PPolyproline II helixtrans-60.1121.9162.6-79.8152.2000110.6I296 R300I296-L298 PolarHBondContact O-N 3.46Å; L298-R300 PolarHBondContact O-N 3.41Å
299P55.9Low42.9Very low127 Ų127152.1 Ų152.183%0.82581%0.806SS**PPolyproline II helixtrans-71.6124.2171.328.8-32.3000110.1K297K297-P299 WeakPolarHBondContact O-CD 3.49Å
300R44.2Very low42.9Very low235 Ų235152.9 Ų152.989%0.88780%0.804SS**PPolyproline II helixtrans-98.6131.4177.2-103.8-177.4171.2164.8-1.5111.5L298L298-R300 PolarHBondContact O-N 3.41Å
301S42.7Very low42.7Very low129 Ų129155 Ų15590%0.90281%0.807SS**  trans64.2142.9155.456.10000120
302G41Very low42.9Very low64 Ų64156.9 Ų156.966%0.6681%0.811SS**  trans12765.7178.600000111.4
303E38.3Very low43.4Very low182 Ų182158.5 Ų158.585%0.8581%0.812SS**  76.4143.686.3-71.2-164116.400114.8
304T41Very low44.8Very low137 Ų137159 Ų15984%0.8481%0.814SS**  trans69.2143.8-178.571.40000115.8
305E41.9Very low45.4Very low185 Ų185158.2 Ų158.286%0.86482%0.817SS**  cis-143.2171.9-11.6-140-177.7109.700111.9
306K41.4Very low45.7Very low195 Ų195161.7 Ų161.785%0.84882%0.819SS**  trans-89.7137.3-172-56.5171.7-176.9176.50112.3
307R44.5Very low46.1Very low251 Ų251159.8 Ų159.895%0.94782%0.815SS**  trans-158.9136.6145.1-109.4163.3-166.5175.45.2110
308S37.4Very low46.1Very low107 Ų107156.7 Ų156.775%0.74881%0.808SS**  trans-110.6152.1165.491.30000109.6
309P50.4Low46Very low121 Ų121156 Ų15679%0.78681%0.805SS**  trans-81.8170.5151.234.5-29.5000110.6
310E45.6Very low45.1Very low196 Ų196155.2 Ų155.292%0.91680%0.801SS**  trans-87.6162.8-177.3-92.716179.200114E312E310-E312 PolarHBondContact O-N 3.11Å; E310-E312 VanDerWaalsContact O-N 3.16Å
311E39.9Very low45Very low155 Ų155151.3 Ų151.372%0.72480%0.797SS**  trans-81.380.4-174-171.7-167165.600112.2K313E311-K313 VanDerWaalsContact CD-NZ 3.28Å; E311-K313 PolarHBondContact O-N 3.17Å; E311-K313 WeakPolarHBondContact OE1-CE 3.19Å; E311-K313 IonicContact OE1-NZ 3.8Å; E311-K313 PolarHBondContact OE1-NZ 3.13Å; E311-K313 IonicContact OE2-NZ 2.78Å
312E43.5Very low44.9Very low188 Ų188154.3 Ų154.388%0.87979%0.794SS**  trans-79.997.4177.6-169.3165.5-165.900111.9E310E310-E312 PolarHBondContact O-N 3.11Å; E310-E312 VanDerWaalsContact O-N 3.16Å
313K54.4Low45Very low148 Ų148158.3 Ų158.364%0.64380%0.799SS**PPolyproline II helixtrans-72.6128.1177.8-70.8-172.617667.30111.9E311E311-K313 VanDerWaalsContact CD-NZ 3.28Å; E311-K313 PolarHBondContact O-N 3.17Å; E311-K313 WeakPolarHBondContact OE1-CE 3.19Å; E311-K313 IonicContact OE1-NZ 3.8Å; E311-K313 PolarHBondContact OE1-NZ 3.13Å; E311-K313 IonicContact OE2-NZ 2.78Å
314P65.9Low45.3Very low114 Ų114158.8 Ų158.874%0.7480%0.798SS**PPolyproline II helixtrans-66.9151.2171.228.4-34.3000111.6R316P314-R316 PolarHBondContact O-N 3.23Å
315P59.1Low45.4Very low117 Ų117159.7 Ų159.776%0.7680%0.797SS**PPolyproline II helixtrans-71.8128.2-176.528.3-34.4000112.2V317P315-V317 PolarHBondContact O-N 3.45Å
316R45Very low45.8Very low223 Ų223156.7 Ų156.784%0.84279%0.793SS**PPolyproline II helixtrans-61.3123.2167.8-85.1-170.8175.6172.6-2.5110.6P314P314-R316 PolarHBondContact O-N 3.23Å
317V50.6Low45.8Very low126 Ų126156.3 Ų156.376%0.76479%0.794SS**  trans-109.881.1167.3-82.30000109.7P315 N319P315-V317 PolarHBondContact O-N 3.45Å; V317-N319 PolarHBondContact O-N 3.08Å
318D40.7Very low45.5Very low127 Ų127153.7 Ų153.768%0.67979%0.793SS**  trans-68.465175.3-76.7-67.8000112.2
319N41.8Very low45.7Very low148 Ų148152.1 Ų152.179%0.79179%0.793SS**  trans-102.252.5177-101.4-23.6000111.7V317 L321V317-N319 PolarHBondContact O-N 3.08Å; N319-L321 PolarHBondContact O-N 3.18Å
320C38.8Very low45.3Very low112 Ų112153.4 Ų153.476%0.75779%0.789SS**  trans-67.480.5170.3-73.70000111K322C320-K322 PolarHBondContact O-N 3.23Å
321L41.3Very low45Very low152 Ų152153.6 Ų153.680%0.79679%0.79SS**  trans-67.7102.7-178.7-142.5161000109.2N319 I323N319-L321 PolarHBondContact O-N 3.18Å; L321-I323 VanDerWaalsContact C-N 3.33Å; L321-I323 PolarHBondContact O-N 3.35Å
322K40Very low45.4Very low193 Ų193153.4 Ų153.484%0.83979%0.787SS**  trans-6882.5-175.2-70.2178.7178.3174.50111.9C320 K324C320-K322 PolarHBondContact O-N 3.23Å; K322-K324 PolarHBondContact O-N 2.88Å; K322-K324 VanDerWaalsContact O-N 3.09Å
323I43.7Very low45.7Very low148 Ų148153.3 Ų153.376%0.75978%0.783SS**  trans-66.5106.4166.3-60.3176.8000107.7L321 L325L321-I323 VanDerWaalsContact C-N 3.33Å; L321-I323 PolarHBondContact O-N 3.35Å; I323-L325 PolarHBondContact O-N 3.39Å
324K45Very low45.8Very low192 Ų192152 Ų15284%0.83579%0.79SS**  trans-73.8111.4168.9-70.4-177.4177.5-178.60108.6K322K322-K324 PolarHBondContact O-N 2.88Å; K322-K324 VanDerWaalsContact O-N 3.09Å
325L41.8Very low44.6Very low155 Ų155154.7 Ų154.781%0.81279%0.792SS**  trans-61.8131.1158.6-80156.3000108.6I323 Q327I323-L325 PolarHBondContact O-N 3.39Å; L325-Q327 PolarHBondContact O-N 3.5Å; L325-Q327 VanDerWaalsContact O-N 3.14Å
326P50.2Low43.8Very low122 Ų122158.1 Ų158.179%0.79280%0.799SS**  trans-71.5104.816829.3-31000108.2
327Q42.1Very low44Very low187 Ų187155.7 Ų155.787%0.87480%0.797SS**  trans-75.8145174.5-161.216910.500109.9L325L325-Q327 PolarHBondContact O-N 3.5Å; L325-Q327 VanDerWaalsContact O-N 3.14Å
328E37.7Very low43.8Very low197 Ų197155.6 Ų155.692%0.92180%0.799SS**  trans-59.5138.7-170.9-61.3167.9123.600112.6
329G42.4Very low44Very low73 Ų73152.9 Ų152.975%0.75380%0.801SS**  trans-141.587.5-168.600000114.4
330E42.3Very low44.1Very low148 Ų148154 Ų15469%0.69280%0.801SS**  trans38.8105.7158.2-60.8-172.6108.500119.3K332E330-K332 PolarHBondContact O-N 3.49Å; E330-K332 VanDerWaalsContact O-N 3.11Å; E330-K332 VanDerWaalsContact OE1-CE 3.26Å; E330-K332 WeakPolarHBondContact OE1-CE 3.42Å; E330-K332 IonicContact OE1-NZ 2.68Å; E330-K332 PolarHBondContact OE1-NZ 2.91Å; E330-K332 IonicContact OE2-NZ 2.68Å; E330-K332 PolarHBondContact OE2-NZ 3.48Å
331E38.7Very low44.5Very low201 Ų201155.6 Ų155.694%0.93980%0.802SS**  trans-61.5111157.3-72.4-170104.700111.3
332K48.7Very low44.7Very low151 Ų151152.2 Ų152.266%0.65780%0.797SS**  trans-117.979.1171.4-82.1172.4179.9158.90112E330E330-K332 PolarHBondContact O-N 3.49Å; E330-K332 VanDerWaalsContact O-N 3.11Å; E330-K332 VanDerWaalsContact OE1-CE 3.26Å; E330-K332 WeakPolarHBondContact OE1-CE 3.42Å; E330-K332 IonicContact OE1-NZ 2.68Å; E330-K332 PolarHBondContact OE1-NZ 2.91Å; E330-K332 IonicContact OE2-NZ 2.68Å; E330-K332 PolarHBondContact OE2-NZ 3.48Å
333K48.6Very low45Very low186 Ų186149 Ų14981%0.80979%0.793SS**  trans8.7114.5147.7-179-177.2178-172.50116.5
334P56.5Low45.1Very low120 Ų120150.8 Ų150.878%0.77980%0.798SS**  trans-68.1149.6159.1-15.230.6000111.9
335E42Very low45.2Very low170 Ų170149.1 Ų149.179%0.79479%0.793SS**  trans-106.8104.7177.2-175.2176.4143.800109.7
336E41.5Very low45.5Very low190 Ų190149.5 Ų149.589%0.88879%0.788SS**  trans-85.8137.4171.8-77.6-165.4115.700111.8
337Q50.1Low45Very low171 Ų171150.2 Ų150.280%0.79979%0.79SS**  trans-128.1155.4165.3-84.9-147.60.400111.1
338P45.7Very low45.4Very low124 Ų124149.8 Ų149.881%0.80579%0.788SS**  trans-98.4163-145.437.3-37.2000115.5
339G44.3Very low45.4Very low71 Ų71146.9 Ų146.973%0.73277%0.774SS**  trans-152.960.7-176.500000116.4
340E45.2Very low45.9Very low171 Ų171152.5 Ų152.580%0.79978%0.778SS**  trans53.9140.3150.8-55-171.2105.700123.6
341N45.5Very low45.9Very low145 Ų145154 Ų15478%0.77578%0.782SS**  trans81.2139.5154-54-47.8000119.9
342A46.6Very low46.2Very low82 Ų82148.6 Ų148.668%0.67877%0.772SS**  cis-169.1169.1-18.200000110.8
343V46.6Very low46Very low126 Ų126150.1 Ų150.176%0.76478%0.782SS**  trans69.795.9168.9-168.80000114.5
344E46.2Very low45.6Very low184 Ų184147 Ų14786%0.8678%0.78SS**  67.5112.170.3-65.2-164.9131.600116.1
345E45.7Very low45.2Very low157 Ų157150.5 Ų150.573%0.73479%0.786SS**  -164.3136.8107.5-172.9154.3-159.200112.6
346K47.9Very low45.2Very low163 Ų163152.2 Ų152.271%0.70979%0.791SS**  trans9131.9163.6-61154.4-163.3156.10119.5
347V41Very low45.3Very low137 Ų137153.2 Ų153.283%0.8379%0.792SS**  cis68.210633.3-170.10000116
348E49.3Very low45.3Very low179 Ų179152.5 Ų152.584%0.83679%0.794SS**  -143.8134.5126.6-158.8174.917100109.8
349E39.2Very low45.1Very low135 Ų135152.4 Ų152.463%0.63179%0.793SS**  trans-116.4145.9-175.1-178.4-157138.600109.8K351E349-K351 WeakPolarHBondContact OE1-CE 3.39Å; E349-K351 WeakPolarHBondContact OE1-CG 3.47Å
350K52.8Low45.1Very low191 Ų191154.6 Ų154.683%0.8380%0.797SS**  trans-143.9120160.1-120.2159.1-168.2147.70114.8
351K41.2Very low44.9Very low180 Ų180152.2 Ų152.278%0.78379%0.794SS**  trans-72.6168.7-175.7-97.6167.3-179.5165.20116.4E349E349-K351 WeakPolarHBondContact OE1-CE 3.39Å; E349-K351 WeakPolarHBondContact OE1-CG 3.47Å
352A45.3Very low44.7Very low88 Ų88150.8 Ų150.873%0.72779%0.793SS**  trans106.8140153.800000114.9
353E45Very low44.2Very low183 Ų183153 Ų15386%0.85580%0.798SS**  cis-153.2164.3-19.5-118.3-168.8104.200107.7
354P41Very low43.7Very low120 Ų120153.3 Ų153.378%0.77980%0.8SS**  trans-90.1123.8-167.733.7-32.6000114.1
355E47Very low43.3Very low194 Ų194149.5 Ų149.591%0.90779%0.793SS**  trans-119.3146167.3-74.8-141.1113.400113.6
356K41.9Very low42.8Very low206 Ų206148.3 Ų148.390%0.89680%0.797SS**  trans-74.8130.8-170.2-55.7152.6-174.8165.90111
357K44.2Very low42.3Very low210 Ų210148 Ų14891%0.91380%0.803SS**  trans-131.5157154.4-72.5-165.3176-178.20111.1
358L49.6Very low42.8Very low157 Ų157149.8 Ų149.882%0.82280%0.802SS**PPolyproline II helixtrans-75159.2-164.5-66.3164.5000112S360L358-S360 PolarHBondContact O-N 2.94Å
359P42.2Very low43Very low122 Ų122150.3 Ų150.379%0.79280%0.801SS**PPolyproline II helixtrans-62.3118.9171.126.6-34000110T361P359-T361 PolarHBondContact O-N 3.24Å
360S44.5Very low43.9Very low116 Ų116148.7 Ų148.781%0.81180%0.803SS**PPolyproline II helixtrans-61131170.6-55.10000109.9L358L358-S360 PolarHBondContact O-N 2.94Å
361T39.9Very low44.9Very low122 Ų122142.5 Ų142.575%0.74878%0.779SS**PPolyproline II helixtrans-56.6137.7168.441.50000110.3P359 T363P359-T361 PolarHBondContact O-N 3.24Å; T361-T363 PolarHBondContact O-N 3.27Å
362P42.3Very low46.2Very low115 Ų115137.4 Ų137.475%0.74776%0.762SS**PPolyproline II helixtrans-64.6119.3169.428.1-32.4000108.5V364P362-V364 PolarHBondContact O-N 2.73Å; P362-V364 VanDerWaalsContact O-N 3.1Å
363T35.4Very low47.3Very low129 Ų129137 Ų13779%0.79175%0.745SS**  trans-60.3114.8165.4-54.30000107.1T361 S365T361-T363 PolarHBondContact O-N 3.27Å; T363-S365 VanDerWaalsContact C-N 3.32Å; T363-S365 PolarHBondContact O-N 2.92Å
364V36.6Very low48.8Very low132 Ų132135 Ų13580%0.873%0.734SS**  trans-68.497.5170.3177.70000106.5P362 T366P362-V364 PolarHBondContact O-N 2.73Å; P362-V364 VanDerWaalsContact O-N 3.1Å; V364-T366 PolarHBondContact O-N 2.98Å
365S37.1Very low50.3Low103 Ų103131.9 Ų131.972%0.7271%0.712SS**  trans-52129166.2-61.90000108.1T363 L367T363-S365 VanDerWaalsContact C-N 3.32Å; T363-S365 PolarHBondContact O-N 2.92Å; S365-L367 PolarHBondContact O-N 3.29Å
366T36.7Very low51.5Low133 Ų133123.6 Ų123.682%0.81667%0.674SS**  trans-58.3100.4176.4-50.10000108.6V364 E368V364-T366 PolarHBondContact O-N 2.98Å; T366-E368 PolarHBondContact O-N 2.82Å
367L36Very low53Low157 Ų157118.1 Ų118.182%0.82265%0.654SS**  trans-67.4104.6172.8-173.273.1000106.2S365 K369S365-L367 PolarHBondContact O-N 3.29Å; L367-K369 PolarHBondContact O-N 3.19Å; L367-K369 VanDerWaalsContact O-N 3.16Å
368E51.6Low54.4Low174 Ų174110.9 Ų110.981%0.81363%0.634SS**PPolyproline II helixtrans-52.8125.1174-71.7-171.7105.300108.2T366T366-E368 PolarHBondContact O-N 2.82Å
369K54.7Low55.5Low190 Ų190111.1 Ų111.183%0.82662%0.624SS**PPolyproline II helixtrans-61.2124177-68.5175.1-178.91740106.1L367 D371L367-K369 PolarHBondContact O-N 3.19Å; L367-K369 VanDerWaalsContact O-N 3.16Å; K369-D371 PolarHBondContact O-N 3.27Å; K369-D371 VanDerWaalsContact O-N 3.09Å
370P57.8Low56.9Low101 Ų101107.8 Ų107.866%0.65660%0.601SS**PPolyproline II helixtrans-57123.8-178.123.2-33.1000108.1V372P370-V372 PolarHBondContact O-N 3.01Å
371D73.3Confident58.3Low61 Ų61107.5 Ų107.533%0.32659%0.59SS.*  trans-62.7108.5179.7-178.8-36.6000107.9K369 E373 K374 T375K369-D371 PolarHBondContact O-N 3.27Å; K369-D371 VanDerWaalsContact O-N 3.09Å; D371-E373 VanDerWaalsContact C-N 3.25Å; D371-E373 PolarHBondContact O-N 3.21Å; D371-E373 WeakPolarHBondContact OD1-CB 3.48Å; D371-E373 PolarHBondContact OD1-N 2.79Å; D371-E373 VanDerWaalsContact OD1-N 3.08Å; D371-K374 HydrophobicContact CB-CB 3.97Å; D371-K374 HydrophobicContact CB-CD 4.06Å; D371-K374 HydrophobicContact CB-CG 4.1Å; D371-K374 PolarHBondContact O-N 3.21Å; D371-K374 PolarHBondContact OD1-N 3.49Å; D371-K374 WeakPolarHBondContact OD2-CD 3.36Å; D371-K374 WeakPolarHBondContact OD2-CG 3.32Å; D371-K374 IonicContact OD2-NZ 2.55Å; D371-K374 PolarHBondContact OD2-NZ 2.97Å; D371-T375 WeakPolarHBondContact O-CB 3.42Å; D371-T375 PolarHBondContact O-N 3.22Å; D371-T375 PolarHBondContact O-OG1 3.29Å
372V67.6Low59.9Low73 Ų73105.1 Ų105.144%0.44258%0.577SS.*Hα-helixtrans-66-34.2-171.8179.70000110.1P370 T375 I376P370-V372 PolarHBondContact O-N 3.01Å; V372-T375 PolarHBondContact O-N 3.24Å; V372-I376 HydrophobicContact CG1-CD1 3.84Å; V372-I376 HydrophobicContact CG1-CG1 4.44Å; V372-I376 WeakPolarHBondContact O-CB 3.43Å; V372-I376 VanDerWaalsContact O-CG1 3.26Å; V372-I376 WeakPolarHBondContact O-CG1 3.37Å; V372-I376 PolarHBondContact O-N 2.81Å
373E69.9Low60.9Low79 Ų79102 Ų10237%0.36956%0.561SS.*Hα-helixtrans-71.1-48.1179.2-65.8163.2-139.200110.3D371 T375 I376 L377D371-E373 VanDerWaalsContact C-N 3.25Å; D371-E373 PolarHBondContact O-N 3.21Å; D371-E373 WeakPolarHBondContact OD1-CB 3.48Å; D371-E373 PolarHBondContact OD1-N 2.79Å; D371-E373 VanDerWaalsContact OD1-N 3.08Å; E373-T375 VanDerWaalsContact C-N 3.25Å; E373-T375 PolarHBondContact O-N 3.02Å; E373-I376 PolarHBondContact O-N 3.2Å; E373-L377 WeakPolarHBondContact O-CB 3.33Å; E373-L377 VanDerWaalsContact O-CG 3.27Å; E373-L377 WeakPolarHBondContact O-CG 3.46Å; E373-L377 PolarHBondContact O-N 3.38Å
374K75.4Confident62.5Low142 Ų142100.9 Ų100.962%0.61755%0.547SS*.Hα-helixtrans-59.4-37172-69.9-176.2-178.981.10112D371 A378D371-K374 HydrophobicContact CB-CB 3.97Å; D371-K374 HydrophobicContact CB-CD 4.06Å; D371-K374 HydrophobicContact CB-CG 4.1Å; D371-K374 PolarHBondContact O-N 3.21Å; D371-K374 PolarHBondContact OD1-N 3.49Å; D371-K374 WeakPolarHBondContact OD2-CD 3.36Å; D371-K374 WeakPolarHBondContact OD2-CG 3.32Å; D371-K374 IonicContact OD2-NZ 2.55Å; D371-K374 PolarHBondContact OD2-NZ 2.97Å; K374-A378 VanDerWaalsContact O-CB 3.28Å; K374-A378 WeakPolarHBondContact O-CB 3.5Å; K374-A378 PolarHBondContact O-N 3.08Å
375T71.7Confident64Low53 Ų5397.3 Ų97.333%0.32553%0.528SS..Hα-helixtrans-66.4-49.3177.7-56.60000110.9D371 V372 E373 A378 W379D371-T375 WeakPolarHBondContact O-CB 3.42Å; D371-T375 PolarHBondContact O-N 3.22Å; D371-T375 PolarHBondContact O-OG1 3.29Å; V372-T375 PolarHBondContact O-N 3.24Å; E373-T375 VanDerWaalsContact C-N 3.25Å; E373-T375 PolarHBondContact O-N 3.02Å; T375-A378 PolarHBondContact O-N 2.95Å; T375-W379 VanDerWaalsContact O-CD1 3.3Å; T375-W379 PolarHBondContact O-N 2.91Å; T375-W379 VanDerWaalsContact O-N 3.09Å
376I74.1Confident65.2Low21 Ų2195.6 Ų95.611%0.10852%0.516CS..Hα-helixtrans-61-48.3177.4-70.9168.5000110.2V372 E373 A378 W379 T380 V454V372-I376 HydrophobicContact CG1-CD1 3.84Å; V372-I376 HydrophobicContact CG1-CG1 4.44Å; V372-I376 WeakPolarHBondContact O-CB 3.43Å; V372-I376 VanDerWaalsContact O-CG1 3.26Å; V372-I376 WeakPolarHBondContact O-CG1 3.37Å; V372-I376 PolarHBondContact O-N 2.81Å; E373-I376 PolarHBondContact O-N 3.2Å; I376-A378 PolarHBondContact O-N 3.11Å; I376-W379 PolarHBondContact O-N 3.13Å; I376-W379 VanDerWaalsContact O-N 3.16Å; I376-T380 PolarHBondContact O-N 2.71Å; I376-T380 PolarHBondContact O-OG1 2.99Å; I376-T380 VanDerWaalsContact O-OG1 3.08Å; I376-V454 HydrophobicContact CD1-CG1 3.81Å
377L73Confident66.1Low91 Ų9196.9 Ų96.948%0.47651%0.511SS..Hα-helixtrans-58.4-44.5178.3-72.8167.8000112.6E373 W379 T380 L381E373-L377 WeakPolarHBondContact O-CB 3.33Å; E373-L377 VanDerWaalsContact O-CG 3.27Å; E373-L377 WeakPolarHBondContact O-CG 3.46Å; E373-L377 PolarHBondContact O-N 3.38Å; L377-W379 VanDerWaalsContact C-N 3.33Å; L377-W379 PolarHBondContact O-N 3.36Å; L377-T380 PolarHBondContact O-N 3.3Å; L377-L381 WeakPolarHBondContact O-CG 3.49Å; L377-L381 PolarHBondContact O-N 3.29Å
378A74Confident67.1Low58 Ų5896.4 Ų96.448%0.47950%0.504SS..Hα-helixtrans-63-38.5177.200000112.3K374 T375 I376 C382K374-A378 VanDerWaalsContact O-CB 3.28Å; K374-A378 WeakPolarHBondContact O-CB 3.5Å; K374-A378 PolarHBondContact O-N 3.08Å; T375-A378 PolarHBondContact O-N 2.95Å; I376-A378 PolarHBondContact O-N 3.11Å; A378-C382 VanDerWaalsContact O-CB 3.26Å; A378-C382 WeakPolarHBondContact O-CB 3.26Å; A378-C382 PolarHBondContact O-N 3.31Å; A378-C382 VanDerWaalsContact O-N 3.13Å
379W71.2Confident67.2Low161 Ų16193.8 Ų93.861%0.6150%0.496SS*.Hα-helixtrans-71.6-37.8174.8-85.588.9000112.8T375 I376 L377 C382 A383T375-W379 VanDerWaalsContact O-CD1 3.3Å; T375-W379 PolarHBondContact O-N 2.91Å; T375-W379 VanDerWaalsContact O-N 3.09Å; I376-W379 PolarHBondContact O-N 3.13Å; I376-W379 VanDerWaalsContact O-N 3.16Å; L377-W379 VanDerWaalsContact C-N 3.33Å; L377-W379 PolarHBondContact O-N 3.36Å; W379-C382 PolarHBondContact O-N 2.98Å; W379-A383 WeakPolarHBondContact O-CB 3.35Å; W379-A383 PolarHBondContact O-N 2.91Å
380T72.4Confident67.1Low52 Ų5288.6 Ų88.632%0.31948%0.483SS..Hα-helixtrans-62.2-48.7174.5-59.10000111.3I376 L377 C382 A383 E384I376-T380 PolarHBondContact O-N 2.71Å; I376-T380 PolarHBondContact O-OG1 2.99Å; I376-T380 VanDerWaalsContact O-OG1 3.08Å; L377-T380 PolarHBondContact O-N 3.3Å; T380-C382 VanDerWaalsContact C-N 3.29Å; T380-C382 PolarHBondContact O-N 2.93Å; T380-A383 WeakPolarHBondContact O-CB 3.35Å; T380-A383 PolarHBondContact O-N 2.7Å; T380-A383 VanDerWaalsContact O-N 3.11Å; T380-E384 PolarHBondContact O-N 3.41Å
381L73Confident66.8Low111 Ų11187.6 Ų87.658%0.58148%0.484SS*.Hα-helixtrans-62.7-35.2177.6-69.5168.5000112.5L377 S385L377-L381 WeakPolarHBondContact O-CG 3.49Å; L377-L381 PolarHBondContact O-N 3.29Å; L381-S385 PolarHBondContact O-N 3.24Å; L381-S385 VanDerWaalsContact O-N 3.11Å; L381-S385 PolarHBondContact O-OG 3.48Å
382C73.7Confident65.8Low71 Ų7190.3 Ų90.348%0.4850%0.497SS..Hα-helixtrans-70.4-33.3174.5-169.10000112.6A378 W379 T380 S385 S386A378-C382 VanDerWaalsContact O-CB 3.26Å; A378-C382 WeakPolarHBondContact O-CB 3.26Å; A378-C382 PolarHBondContact O-N 3.31Å; A378-C382 VanDerWaalsContact O-N 3.13Å; W379-C382 PolarHBondContact O-N 2.98Å; T380-C382 VanDerWaalsContact C-N 3.29Å; T380-C382 PolarHBondContact O-N 2.93Å; C382-S385 PolarHBondContact O-OG 3.1Å; C382-S386 WeakPolarHBondContact O-CB 3.35Å; C382-S386 PolarHBondContact O-N 3.06Å; C382-S386 PolarHBondContact O-OG 3.37Å
383A64.9Low64.7Low49 Ų4990.1 Ų90.141%0.40551%0.51SS..Hα-helixtrans-70-40.8173.300000111.8W379 T380 S386 F387W379-A383 WeakPolarHBondContact O-CB 3.35Å; W379-A383 PolarHBondContact O-N 2.91Å; T380-A383 WeakPolarHBondContact O-CB 3.35Å; T380-A383 PolarHBondContact O-N 2.7Å; T380-A383 VanDerWaalsContact O-N 3.11Å; A383-S386 PolarHBondContact O-OG 2.88Å; A383-F387 WeakPolarHBondContact O-CD2 3.48Å; A383-F387 PolarHBondContact O-N 3.31Å
384E68.3Low63.7Low107 Ų10795.5 Ų95.550%0.554%0.535SS..Hα-helixtrans-63.1-50.9175.6-70-170.2130.900111.7T380 S386 F387 E388T380-E384 PolarHBondContact O-N 3.41Å; E384-S386 PolarHBondContact O-N 2.81Å; E384-F387 PolarHBondContact O-N 3.49Å; E384-E388 PolarHBondContact O-N 3.35Å
385S67.4Low62.3Low57 Ų5791.9 Ų91.940%0.39954%0.538SS..Hα-helixtrans-63.5-42.1-178.261.30000113.3L381 C382 F387 E388 D389L381-S385 PolarHBondContact O-N 3.24Å; L381-S385 VanDerWaalsContact O-N 3.11Å; L381-S385 PolarHBondContact O-OG 3.48Å; C382-S385 PolarHBondContact O-OG 3.1Å; S385-F387 PolarHBondContact O-N 3.05Å; S385-E388 PolarHBondContact O-N 3.47Å; S385-E388 VanDerWaalsContact O-N 3.13Å; S385-D389 PolarHBondContact O-N 3.41Å; S385-D389 VanDerWaalsContact O-N 3.08Å
386S63.5Low61.2Low67 Ų6798.6 Ų98.647%0.46957%0.566SS.*Hα-helixtrans-68.5-16.3179.558.40000114.4C382 A383 E384C382-S386 WeakPolarHBondContact O-CB 3.35Å; C382-S386 PolarHBondContact O-N 3.06Å; C382-S386 PolarHBondContact O-OG 3.37Å; A383-S386 PolarHBondContact O-OG 2.88Å; E384-S386 PolarHBondContact O-N 2.81Å
387F55.6Low59.9Low160 Ų160105.8 Ų105.870%0.70260%0.599SS**Hα-helixtrans-84-40.2167.2-95.6-93.1000112.9A383 E384 S385 S390A383-F387 WeakPolarHBondContact O-CD2 3.48Å; A383-F387 PolarHBondContact O-N 3.31Å; E384-F387 PolarHBondContact O-N 3.49Å; S385-F387 PolarHBondContact O-N 3.05Å; F387-S390 PolarHBondContact O-N 2.69Å
388E55.8Low58.9Low147 Ų147110.6 Ų110.669%0.68762%0.616SS**Hα-helixtrans-69.9-37.6-178-67.3-164.7158.100113.1E384 S385 S390 A391E384-E388 PolarHBondContact O-N 3.35Å; S385-E388 PolarHBondContact O-N 3.47Å; S385-E388 VanDerWaalsContact O-N 3.13Å; E388-S390 PolarHBondContact O-N 2.66Å; E388-A391 PolarHBondContact O-N 2.67Å
389D54.2Low57.5Low119 Ų119113.8 Ų113.864%0.63663%0.629SS**G310 helixtrans-65.2-21.4177.8-79-24.2000113.6S385 A391 I392S385-D389 PolarHBondContact O-N 3.41Å; S385-D389 VanDerWaalsContact O-N 3.08Å; D389-A391 PolarHBondContact O-N 2.64Å; D389-I392 PolarHBondContact O-N 3.36Å
390S53.5Low56.3Low81 Ų81112.9 Ų112.957%0.56664%0.636SS**G310 helixtrans-71.1-7.9-179.7-78.80000114.7F387 E388F387-S390 PolarHBondContact O-N 2.69Å; E388-S390 PolarHBondContact O-N 2.66Å
391A51.6Low55Low80 Ų80116 Ų11666%0.66166%0.655SS**G310 helixtrans-82.8-21.9179.200000113.8E388 D389 G393E388-A391 PolarHBondContact O-N 2.67Å; D389-A391 PolarHBondContact O-N 2.64Å; A391-G393 PolarHBondContact O-N 2.79Å
392I50.9Low53.8Low118 Ų118117.8 Ų117.861%0.60566%0.664SS**SBendtrans-85.596.4177.9-57.2-179.9000108.5D389 E394D389-I392 PolarHBondContact O-N 3.36Å; I392-E394 PolarHBondContact O-N 3.02Å
393G45Very low52.6Low69 Ų69118.3 Ų118.371%0.71167%0.668SS**  trans-70.9109.6172.200000111.1A391 G395A391-G393 PolarHBondContact O-N 2.79Å; G393-G395 PolarHBondContact O-N 3.43Å
394E48.9Very low52.1Low191 Ų191121.4 Ų121.489%0.89368%0.678SS**  trans-65.682.6165.3-68.7-173.4132.100110.1I392 E396I392-E394 PolarHBondContact O-N 3.02Å; E394-E396 PolarHBondContact O-N 3.11Å
395G45.5Very low51.6Low66 Ų66122.4 Ų122.468%0.6869%0.687SS**  trans-74.3110166.900000109.7G393 E397G393-G395 PolarHBondContact O-N 3.43Å; G395-E397 PolarHBondContact O-N 2.97Å
396E48.5Very low51.3Low195 Ų195124.6 Ų124.691%0.91170%0.698SS**  trans-68.770.2166.5-67.8-171.712700110E394 K398E394-E396 PolarHBondContact O-N 3.11Å; E396-K398 PolarHBondContact O-N 3.41Å; E396-K398 VanDerWaalsContact O-N 3.08Å
397E47.5Very low51.4Low171 Ų171123.9 Ų123.980%0.79970%0.696SS**  trans-68108.4-177.2-172.3172.7-164.100110.5G395 V399G395-E397 PolarHBondContact O-N 2.97Å; E397-V399 PolarHBondContact O-N 2.98Å
398K50.8Low52.2Low193 Ų193123 Ų12384%0.83969%0.694SS**  trans-67.2100.3169.6-72179.7-180173.70108.9E396 N400E396-K398 PolarHBondContact O-N 3.41Å; E396-K398 VanDerWaalsContact O-N 3.08Å; K398-N400 PolarHBondContact O-N 3.4Å
399V44.7Very low53.2Low124 Ų124121.7 Ų121.775%0.75269%0.692SS**  trans-39108.5179.6-179.20000111.8E397 T401E397-V399 PolarHBondContact O-N 2.98Å; V399-T401 HydrophobicContact CG1-CG2 4.04Å
400N46.1Very low54.6Low142 Ų142123.5 Ų123.576%0.75969%0.694SS**  trans-124.498.4171.3-141.38.6000106.7K398 I402K398-N400 PolarHBondContact O-N 3.4Å; N400-I402 PolarHBondContact O-N 3.32Å
401T44.9Very low56Low118 Ų118128.1 Ų128.172%0.72470%0.699SS**  trans-71.388.4-159.7190000113.8V399V399-T401 HydrophobicContact CG1-CG2 4.04Å
402I49Very low57.7Low148 Ų148129.4 Ų129.476%0.75969%0.691SS**SBendtrans-134.2101.6171.7-53.7-178.3000110.3N400N400-I402 PolarHBondContact O-N 3.32Å
403S47.7Very low59.3Low82 Ų82130.4 Ų130.457%0.57369%0.694SS**  trans59.569.8164.8-169.50000117.9N405S403-N405 PolarHBondContact O-N 3.45Å; S403-N405 VanDerWaalsContact O-N 3.12Å
404N54.8Low61.2Low115 Ų115132 Ų13262%0.61568%0.682SS**THydrogen-bonded Turntrans-57-26.1176.9-65.917.6000115.1T406 A407N404-T406 PolarHBondContact O-N 2.84Å; N404-T406 VanDerWaalsContact O-N 3.13Å; N404-A407 PolarHBondContact O-N 2.88Å; N404-A407 VanDerWaalsContact O-N 3.09Å
405N58.5Low63Low128 Ų128128.3 Ų128.368%0.68467%0.668SS**Hα-helixtrans-60-29.3-169.5-61.522.3000114S403 A407S403-N405 PolarHBondContact O-N 3.45Å; S403-N405 VanDerWaalsContact O-N 3.12Å; N405-A407 VanDerWaalsContact C-N 3.27Å; N405-A407 PolarHBondContact O-N 3.16Å
406T60.2Low65.1Low102 Ų102130.1 Ų130.163%0.62666%0.657SS**Hα-helixtrans-77.4-12.7-178-33.60000113.1N404N404-T406 PolarHBondContact O-N 2.84Å; N404-T406 VanDerWaalsContact O-N 3.13Å
407A65Low67Low52 Ų52126.2 Ų126.243%0.4364%0.642SS.*Hα-helixtrans-89.8-19.6-176.300000113.7N404 N405N404-A407 PolarHBondContact O-N 2.88Å; N404-A407 VanDerWaalsContact O-N 3.09Å; N405-A407 VanDerWaalsContact C-N 3.27Å; N405-A407 PolarHBondContact O-N 3.16Å
408E73.2Confident68.7Low141 Ų141124.1 Ų124.166%0.65963%0.627SS**Hα-helixtrans-84.9-47-178-62.7-170142.500111.6K410 R411 E412E408-K410 PolarHBondContact O-N 3.09Å; E408-K410 VanDerWaalsContact O-N 3.1Å; E408-R411 WeakPolarHBondContact O-CB 3.5Å; E408-R411 PolarHBondContact O-N 2.92Å; E408-E412 PolarHBondContact O-N 2.9Å; E408-E412 VanDerWaalsContact O-N 3.14Å
409D77.1Confident70.6Confident121 Ų121121.4 Ų121.465%0.64762%0.617SS**Hα-helixtrans-46.7-43.9173.8-76-12.9000112.1R411 E412 E413D409-R411 PolarHBondContact O-N 3.23Å; D409-E412 PolarHBondContact O-N 3.37Å; D409-E413 PolarHBondContact O-N 2.92Å
410K83Confident72.5Confident156 Ų156120 Ų12068%0.67861%0.606SS**Hα-helixtrans-70.4-28.2-176.7-156.4174.4-174.1-1780113.4E408 E414E408-K410 PolarHBondContact O-N 3.09Å; E408-K410 VanDerWaalsContact O-N 3.1Å; K410-E414 PolarHBondContact O-N 3.5Å
411R83.4Confident74.1Confident179 Ų179119.2 Ų119.268%0.67560%0.599SS**Hα-helixtrans-74.4-38.2172.1-63.4-179.5-161.9-162.33.8111.1E408 D409 E413 E414 L415E408-R411 WeakPolarHBondContact O-CB 3.5Å; E408-R411 PolarHBondContact O-N 2.92Å; D409-R411 PolarHBondContact O-N 3.23Å; R411-E413 VanDerWaalsContact C-N 3.34Å; R411-E414 PolarHBondContact O-N 2.85Å; R411-L415 WeakPolarHBondContact O-CB 3.45Å; R411-L415 WeakPolarHBondContact O-CG 3.43Å; R411-L415 PolarHBondContact O-N 3.48Å
412E86.2Confident75.7Confident106 Ų106118.9 Ų118.950%0.49559%0.592SS.*Hα-helixtrans-68-35.8177.9-159.3-177.4133.500111.5E408 D409 K416E408-E412 PolarHBondContact O-N 2.9Å; E408-E412 VanDerWaalsContact O-N 3.14Å; D409-E412 PolarHBondContact O-N 3.37Å; E412-K416 WeakPolarHBondContact O-CB 3.34Å; E412-K416 VanDerWaalsContact O-CG 3.3Å; E412-K416 WeakPolarHBondContact O-CG 3.32Å; E412-K416 PolarHBondContact O-N 2.88Å; E412-K416 WeakPolarHBondContact OE1-CE 3.42Å; E412-K416 IonicContact OE1-NZ 2.67Å; E412-K416 PolarHBondContact OE1-NZ 2.94Å
413E85.1Confident77.2Confident140 Ų140115 Ų11565%0.65457%0.573SS**Hα-helixtrans-65-44.5171.5-168.9173.9-14400112.4D409 R411 L415 K416 L417D409-E413 PolarHBondContact O-N 2.92Å; R411-E413 VanDerWaalsContact C-N 3.34Å; E413-L415 PolarHBondContact O-N 3.28Å; E413-K416 PolarHBondContact O-N 3.42Å; E413-L417 WeakPolarHBondContact O-CB 3.29Å; E413-L417 PolarHBondContact O-N 3.47Å
414E84.1Confident78.7Confident101 Ų101117.3 Ų117.347%0.47257%0.573SS.*Hα-helixtrans-64.3-40.3176.1-163.1-166.1137.600112.1K410 R411 L417 R418K410-E414 PolarHBondContact O-N 3.5Å; R411-E414 PolarHBondContact O-N 2.85Å; E414-L417 WeakPolarHBondContact O-CB 3.36Å; E414-L417 PolarHBondContact O-N 2.9Å; E414-R418 WeakPolarHBondContact O-CG 3.41Å; E414-R418 PolarHBondContact O-N 3.02Å; E414-R418 IonicContact OE1-CZ 2.59Å; E414-R418 IonicContact OE1-NE 2.6Å; E414-R418 PolarHBondContact OE1-NE 3.09Å; E414-R418 IonicContact OE1-NH2 3.38Å; E414-R418 PolarHBondContact OE1-NH2 2.82Å
415L88Confident79.7Confident115 Ų115118.4 Ų118.460%0.60257%0.572SS**Hα-helixtrans-61.2-45.9175.3-78.8166.6000111.7R411 E413 L417 R418 E419R411-L415 WeakPolarHBondContact O-CB 3.45Å; R411-L415 WeakPolarHBondContact O-CG 3.43Å; R411-L415 PolarHBondContact O-N 3.48Å; E413-L415 PolarHBondContact O-N 3.28Å; L415-L417 VanDerWaalsContact C-N 3.27Å; L415-L417 PolarHBondContact O-N 3.12Å; L415-R418 PolarHBondContact O-N 2.95Å; L415-E419 WeakPolarHBondContact O-CB 3.49Å; L415-E419 PolarHBondContact O-N 3.44Å
416K90.2Very high80.6Confident104 Ų104119.9 Ų119.945%0.45257%0.572SS.*Hα-helixtrans-62.2-34.4174.5-74.3167.4-175.7164.50112.2E412 E413 N420E412-K416 WeakPolarHBondContact O-CB 3.34Å; E412-K416 VanDerWaalsContact O-CG 3.3Å; E412-K416 WeakPolarHBondContact O-CG 3.32Å; E412-K416 PolarHBondContact O-N 2.88Å; E412-K416 WeakPolarHBondContact OE1-CE 3.42Å; E412-K416 IonicContact OE1-NZ 2.67Å; E412-K416 PolarHBondContact OE1-NZ 2.94Å; E413-K416 PolarHBondContact O-N 3.42Å; K416-N420 WeakPolarHBondContact O-CB 3.42Å; K416-N420 PolarHBondContact O-N 3.4Å; K416-N420 VanDerWaalsContact O-N 3.09Å; K416-N420 PolarHBondContact O-ND2 3.41Å
417L87.9Confident81.2Confident113 Ų113121.9 Ų121.959%0.59257%0.572SS**Hα-helixtrans-68.9-43.8174.9-172.763.8000111.7E413 E414 L415 N420 M421E413-L417 WeakPolarHBondContact O-CB 3.29Å; E413-L417 PolarHBondContact O-N 3.47Å; E414-L417 WeakPolarHBondContact O-CB 3.36Å; E414-L417 PolarHBondContact O-N 2.9Å; L415-L417 VanDerWaalsContact C-N 3.27Å; L415-L417 PolarHBondContact O-N 3.12Å; L417-N420 PolarHBondContact O-N 3.45Å; L417-M421 WeakPolarHBondContact O-CB 3.33Å; L417-M421 VanDerWaalsContact O-CG 3.24Å; L417-M421 WeakPolarHBondContact O-CG 3.43Å; L417-M421 PolarHBondContact O-N 2.96Å
418R83.6Confident81.1Confident126 Ų126125.9 Ų125.948%0.47559%0.586SS.*Hα-helixtrans-61.2-44.3174.3-73.7-176.7-176.3-135.53.8112E414 L415 M421 L422E414-R418 WeakPolarHBondContact O-CG 3.41Å; E414-R418 PolarHBondContact O-N 3.02Å; E414-R418 IonicContact OE1-CZ 2.59Å; E414-R418 IonicContact OE1-NE 2.6Å; E414-R418 PolarHBondContact OE1-NE 3.09Å; E414-R418 IonicContact OE1-NH2 3.38Å; E414-R418 PolarHBondContact OE1-NH2 2.82Å; L415-R418 PolarHBondContact O-N 2.95Å; R418-M421 WeakPolarHBondContact O-CB 3.46Å; R418-M421 PolarHBondContact O-N 2.87Å; R418-L422 WeakPolarHBondContact O-CG 3.48Å; R418-L422 PolarHBondContact O-N 3.32Å
419E88.8Confident80.2Confident136 Ų136123.9 Ų123.964%0.63658%0.58SS**Hα-helixtrans-61-48.3177.4-171.2171.7-145.600111L415 M421 L422 D423L415-E419 WeakPolarHBondContact O-CB 3.49Å; L415-E419 PolarHBondContact O-N 3.44Å; E419-M421 VanDerWaalsContact C-N 3.28Å; E419-M421 PolarHBondContact O-N 3.4Å; E419-L422 PolarHBondContact O-N 3.16Å; E419-D423 WeakPolarHBondContact O-CB 3.27Å; E419-D423 PolarHBondContact O-N 3.11Å
420N84.6Confident78.8Confident95 Ų95124.2 Ų124.251%0.50859%0.587SS.*Hα-helixtrans-61-33.1174.5-85.9-85.5000113.6K416 L417 K424K416-N420 WeakPolarHBondContact O-CB 3.42Å; K416-N420 PolarHBondContact O-N 3.4Å; K416-N420 VanDerWaalsContact O-N 3.09Å; K416-N420 PolarHBondContact O-ND2 3.41Å; L417-N420 PolarHBondContact O-N 3.45Å; N420-K424 WeakPolarHBondContact O-CB 3.35Å; N420-K424 VanDerWaalsContact O-CG 3.29Å; N420-K424 WeakPolarHBondContact O-CG 3.26Å; N420-K424 PolarHBondContact O-N 2.78Å
421M79.8Confident77.4Confident125 Ų125123.3 Ų123.362%0.61659%0.585SS**Hα-helixtrans-69.1-46.1175.3-76.8-80.7-76.500111.8L417 R418 E419 D423 K424 K425L417-M421 WeakPolarHBondContact O-CB 3.33Å; L417-M421 VanDerWaalsContact O-CG 3.24Å; L417-M421 WeakPolarHBondContact O-CG 3.43Å; L417-M421 PolarHBondContact O-N 2.96Å; R418-M421 WeakPolarHBondContact O-CB 3.46Å; R418-M421 PolarHBondContact O-N 2.87Å; E419-M421 VanDerWaalsContact C-N 3.28Å; E419-M421 PolarHBondContact O-N 3.4Å; M421-D423 VanDerWaalsContact C-N 3.32Å; M421-D423 PolarHBondContact O-N 3.01Å; M421-K424 PolarHBondContact O-N 2.62Å; M421-K425 PolarHBondContact O-N 3.4Å
422L79Confident75.9Confident112 Ų112118.9 Ų118.959%0.58657%0.572SS**Hα-helixtrans-62.5-40.5175.9-72.6169.7000111.6R418 E419 K425 K426R418-L422 WeakPolarHBondContact O-CG 3.48Å; R418-L422 PolarHBondContact O-N 3.32Å; E419-L422 PolarHBondContact O-N 3.16Å; L422-K425 PolarHBondContact O-N 3.07Å; L422-K426 WeakPolarHBondContact O-CG 3.35Å; L422-K426 PolarHBondContact O-N 3.31Å
423D81.4Confident74.5Confident65 Ų65118 Ų11835%0.34858%0.575SS.*Hα-helixtrans-71.2-33-179.5-139.649.5000112.2E419 M421 K427E419-D423 WeakPolarHBondContact O-CB 3.27Å; E419-D423 PolarHBondContact O-N 3.11Å; M421-D423 VanDerWaalsContact C-N 3.32Å; M421-D423 PolarHBondContact O-N 3.01Å; D423-K427 WeakPolarHBondContact O-CB 3.36Å; D423-K427 WeakPolarHBondContact O-CD 3.49Å; D423-K427 VanDerWaalsContact O-CG 3.28Å; D423-K427 WeakPolarHBondContact O-CG 3.3Å; D423-K427 PolarHBondContact O-N 3.33Å; D423-K427 VanDerWaalsContact O-N 3.09Å; D423-K427 WeakPolarHBondContact OD2-CE 3.23Å; D423-K427 IonicContact OD2-NZ 2.64Å; D423-K427 PolarHBondContact OD2-NZ 3.4Å
424K79.4Confident73.1Confident132 Ų132114.8 Ų114.857%0.57456%0.562SS**Hα-helixtrans-66.4-42.2166.1-76.7173.1-179.3176.50112.4N420 M421 K426 K427 N428N420-K424 WeakPolarHBondContact O-CB 3.35Å; N420-K424 VanDerWaalsContact O-CG 3.29Å; N420-K424 WeakPolarHBondContact O-CG 3.26Å; N420-K424 PolarHBondContact O-N 2.78Å; M421-K424 PolarHBondContact O-N 2.62Å; K424-K426 VanDerWaalsContact C-N 3.33Å; K424-K426 PolarHBondContact O-N 2.89Å; K424-K427 PolarHBondContact O-N 3.08Å; K424-N428 WeakPolarHBondContact O-CB 3.36Å; K424-N428 PolarHBondContact O-N 3.42Å
425K76Confident71.8Confident138 Ų138116.3 Ų116.360%0.657%0.569SS**Hα-helixtrans-61.7-41.2176.8-162.5175.9-177.7-1770110.7M421 L422 N429M421-K425 PolarHBondContact O-N 3.4Å; L422-K425 PolarHBondContact O-N 3.07Å; K425-N429 WeakPolarHBondContact O-CB 3.44Å; K425-N429 PolarHBondContact O-N 3.39Å
426K76Confident70.4Confident158 Ų158112.7 Ų112.769%0.68755%0.552SS**Hα-helixtrans-62.5-39.2172.1-75.2177.6179.9173.20113.6L422 K424L422-K426 WeakPolarHBondContact O-CG 3.35Å; L422-K426 PolarHBondContact O-N 3.31Å; K424-K426 VanDerWaalsContact C-N 3.33Å; K424-K426 PolarHBondContact O-N 2.89Å
427K74.2Confident68.8Low145 Ų145111.6 Ų111.663%0.6355%0.549SS*.Hα-helixtrans-77.3-27.9-178.5-75162.5-178.4156.90113.8D423 K424D423-K427 WeakPolarHBondContact O-CB 3.36Å; D423-K427 WeakPolarHBondContact O-CD 3.49Å; D423-K427 VanDerWaalsContact O-CG 3.28Å; D423-K427 WeakPolarHBondContact O-CG 3.3Å; D423-K427 PolarHBondContact O-N 3.33Å; D423-K427 VanDerWaalsContact O-N 3.09Å; D423-K427 WeakPolarHBondContact OD2-CE 3.23Å; D423-K427 IonicContact OD2-NZ 2.64Å; D423-K427 PolarHBondContact OD2-NZ 3.4Å; K424-K427 PolarHBondContact O-N 3.08Å
428N62.4Low67.4Low136 Ų136109.8 Ų109.873%0.72754%0.539SS*.Hα-helixtrans-93.1-20178.4-72.212.3000113.5K424 T430K424-N428 WeakPolarHBondContact O-CB 3.36Å; K424-N428 PolarHBondContact O-N 3.42Å; N428-T430 VanDerWaalsContact C-N 3.28Å; N428-T430 PolarHBondContact O-N 2.87Å
429N54.3Low66.2Low98 Ų98109.9 Ų109.952%0.52454%0.544SS..  trans-81.472.6179.5-166.922000112.2K425 Q431K425-N429 WeakPolarHBondContact O-CB 3.44Å; K425-N429 PolarHBondContact O-N 3.39Å; N429-Q431 PolarHBondContact O-N 3.25Å; N429-Q431 WeakPolarHBondContact OD1-CB 3.29Å; N429-Q431 PolarHBondContact OD1-N 2.88Å
430T48Very low64.9Low129 Ų129109.4 Ų109.479%0.79154%0.54SS*.  trans-79.81171.1-390000112.2N428 E432N428-T430 VanDerWaalsContact C-N 3.28Å; N428-T430 PolarHBondContact O-N 2.87Å; T430-E432 PolarHBondContact O-N 2.87Å
431Q52.1Low63.5Low136 Ų136108.7 Ų108.764%0.63654%0.536SS*.SBendtrans-76.5116.5173.3-168.2175.213.200108.5N429N429-Q431 PolarHBondContact O-N 3.25Å; N429-Q431 WeakPolarHBondContact OD1-CB 3.29Å; N429-Q431 PolarHBondContact OD1-N 2.88Å
432E52.4Low61.8Low87 Ų87105.2 Ų105.241%0.40753%0.533SS..PPolyproline II helixtrans-58.7137.7174.5-68.5-166128.700110T430 L434 T436 Q437 K440T430-E432 PolarHBondContact O-N 2.87Å; E432-L434 PolarHBondContact O-N 3.44Å; E432-T436 HydrophobicContact CB-CG2 4.4Å; E432-Q437 HydrophobicContact CB-CG 4.33Å; E432-Q437 PolarHBondContact O-NE2 3.2Å; E432-K440 IonicContact OE1-NZ 2.85Å; E432-K440 PolarHBondContact OE1-NZ 3.45Å; E432-K440 IonicContact OE2-NZ 3Å; E432-K440 PolarHBondContact OE2-NZ 3.04Å
433P57.9Low60.7Low86 Ų86110.1 Ų110.156%0.55855%0.553SS**PPolyproline II helixtrans-58143-179.725.6-33.7000109.5Q435 T436 Q437P433-Q435 PolarHBondContact O-N 3.47Å; P433-T436 WeakPolarHBondContact O-CA 3.42Å; P433-T436 WeakPolarHBondContact O-CB 3.47Å; P433-T436 PolarHBondContact O-N 3.45Å; P433-Q437 PolarHBondContact O-N 3.46Å
434L56Low59.3Low73 Ų73110.2 Ų110.238%0.38257%0.569SS.*Hα-helixtrans-52.9-35.4-169.8-118.1159.3000113.4E432 T436 Q437 I438 L457E432-L434 PolarHBondContact O-N 3.44Å; L434-T436 VanDerWaalsContact C-N 3.32Å; L434-T436 PolarHBondContact O-N 2.59Å; L434-Q437 PolarHBondContact O-N 3.03Å; L434-Q437 VanDerWaalsContact O-N 3.11Å; L434-I438 HydrophobicContact CD2-CD1 4.02Å; L434-I438 HydrophobicContact CD2-CG1 4.32Å; L434-I438 WeakPolarHBondContact O-CG1 3.41Å; L434-I438 PolarHBondContact O-N 3.5Å; L434-L457 HydrophobicContact CD1-CD2 3.64Å
435Q56.7Low58.3Low133 Ų133107.4 Ų107.462%0.62156%0.558SS**Hα-helixtrans-53.6-43.8172.3-176.7172.7-4.500113P433 I438 E439P433-Q435 PolarHBondContact O-N 3.47Å; Q435-I438 PolarHBondContact O-N 2.84Å; Q435-E439 HydrophobicContact CG-CG 4.48Å; Q435-E439 VanDerWaalsContact CG-OE1 3.31Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.43Å; Q435-E439 PolarHBondContact NE2-OE1 3.24Å; Q435-E439 WeakPolarHBondContact O-CB 3.44Å; Q435-E439 VanDerWaalsContact O-CG 3.29Å; Q435-E439 WeakPolarHBondContact O-CG 3.48Å; Q435-E439 PolarHBondContact O-N 2.85Å
436T57.3Low57.7Low40 Ų40104.3 Ų104.325%0.24555%0.551CS.*Hα-helixtrans-71.1-28.9177.9-57.80000112.7E432 P433 L434 K440E432-T436 HydrophobicContact CB-CG2 4.4Å; P433-T436 WeakPolarHBondContact O-CA 3.42Å; P433-T436 WeakPolarHBondContact O-CB 3.47Å; P433-T436 PolarHBondContact O-N 3.45Å; L434-T436 VanDerWaalsContact C-N 3.32Å; L434-T436 PolarHBondContact O-N 2.59Å; T436-K440 HydrophobicContact CG2-CD 4.12Å; T436-K440 WeakPolarHBondContact O-CB 3.27Å; T436-K440 WeakPolarHBondContact O-CG 3.47Å; T436-K440 PolarHBondContact O-N 2.94Å; T436-K440 VanDerWaalsContact O-N 3.11Å
437Q57.4Low57.4Low81 Ų81106 Ų10638%0.37956%0.558SS.*Hα-helixtrans-72.4-41.5173-61.4-167.733.100111.1E432 P433 L434 K440 N441E432-Q437 HydrophobicContact CB-CG 4.33Å; E432-Q437 PolarHBondContact O-NE2 3.2Å; P433-Q437 PolarHBondContact O-N 3.46Å; L434-Q437 PolarHBondContact O-N 3.03Å; L434-Q437 VanDerWaalsContact O-N 3.11Å; Q437-K440 PolarHBondContact O-N 3.17Å; Q437-N441 WeakPolarHBondContact O-CB 3.38Å; Q437-N441 PolarHBondContact O-N 3.01Å; Q437-N441 VanDerWaalsContact O-N 3.07Å
438I57.4Low57.5Low74 Ų74103.8 Ų103.838%0.37955%0.55SS.*Hα-helixtrans-65.1-44175.9-65162.3000110.9L434 Q435 K440 N441L434-I438 HydrophobicContact CD2-CD1 4.02Å; L434-I438 HydrophobicContact CD2-CG1 4.32Å; L434-I438 WeakPolarHBondContact O-CG1 3.41Å; L434-I438 PolarHBondContact O-N 3.5Å; Q435-I438 PolarHBondContact O-N 2.84Å; I438-K440 VanDerWaalsContact C-N 3.35Å; I438-K440 PolarHBondContact O-N 3.13Å; I438-N441 PolarHBondContact O-N 3.36Å
439E59.5Low58.2Low128 Ų128102.4 Ų102.460%0.59854%0.538SS*.Hα-helixtrans-66.9-30.7177.4-75.1170.5-174.100113.2Q435Q435-E439 HydrophobicContact CG-CG 4.48Å; Q435-E439 VanDerWaalsContact CG-OE1 3.31Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.43Å; Q435-E439 PolarHBondContact NE2-OE1 3.24Å; Q435-E439 WeakPolarHBondContact O-CB 3.44Å; Q435-E439 VanDerWaalsContact O-CG 3.29Å; Q435-E439 WeakPolarHBondContact O-CG 3.48Å; Q435-E439 PolarHBondContact O-N 2.85Å
440K60.3Low59.2Low126 Ų12699.5 Ų99.555%0.54852%0.523SS..Hα-helixtrans-78.1-31175.8-76.6176.1-176.8-179.90113.4E432 T436 Q437 I438 G442E432-K440 IonicContact OE1-NZ 2.85Å; E432-K440 PolarHBondContact OE1-NZ 3.45Å; E432-K440 IonicContact OE2-NZ 3Å; E432-K440 PolarHBondContact OE2-NZ 3.04Å; T436-K440 HydrophobicContact CG2-CD 4.12Å; T436-K440 WeakPolarHBondContact O-CB 3.27Å; T436-K440 WeakPolarHBondContact O-CG 3.47Å; T436-K440 PolarHBondContact O-N 2.94Å; T436-K440 VanDerWaalsContact O-N 3.11Å; Q437-K440 PolarHBondContact O-N 3.17Å; I438-K440 VanDerWaalsContact C-N 3.35Å; I438-K440 PolarHBondContact O-N 3.13Å; K440-G442 PolarHBondContact O-N 3.17Å
441N56Low60.8Low80 Ų8094.3 Ų94.343%0.42850%0.495SS..SBendtrans-84.353.7177.3-70.310.4000110.9Q437 I438 E443 E445Q437-N441 WeakPolarHBondContact O-CB 3.38Å; Q437-N441 PolarHBondContact O-N 3.01Å; Q437-N441 VanDerWaalsContact O-N 3.07Å; I438-N441 PolarHBondContact O-N 3.36Å; N441-E443 PolarHBondContact O-N 2.78Å; N441-E445 HydrophobicContact CB-CG 4.05Å; N441-E445 WeakPolarHBondContact CB-OE2 3.22Å; N441-E445 PolarHBondContact ND2-OE2 2.82Å
442G43.7Very low62.3Low52 Ų5293.6 Ų93.654%0.53649%0.49SS..THydrogen-bonded Turntrans-54.7122.8-160.100000116.4K440 G444K440-G442 PolarHBondContact O-N 3.17Å; G442-G444 PolarHBondContact O-N 3.14Å
443E55.3Low63.7Low215 Ų21592.1 Ų92.1100%1.00549%0.493SS*.THydrogen-bonded Turntrans49.6-11165.1-65.2-166121.900120.1N441N441-E443 PolarHBondContact O-N 2.78Å
444G53.9Low64.7Low68 Ų6889.5 Ų89.570%0.70148%0.475SS*.THydrogen-bonded Turntrans-113.5-5.6-171.500000116.2G442G442-G444 PolarHBondContact O-N 3.14Å
445E56.8Low65.9Low73 Ų7392.5 Ų92.534%0.34148%0.483SS..SBendtrans-73.1133.1174.8-67.3-145.2119.500111.3N441 K449N441-E445 HydrophobicContact CB-CG 4.05Å; N441-E445 WeakPolarHBondContact CB-OE2 3.22Å; N441-E445 PolarHBondContact ND2-OE2 2.82Å; E445-K449 HydrophobicContact CB-CD 4.09Å; E445-K449 HydrophobicContact CG-CD 4.18Å; E445-K449 VanDerWaalsContact OE1-CD 3.22Å; E445-K449 WeakPolarHBondContact OE1-CD 3.49Å; E445-K449 WeakPolarHBondContact OE1-CE 3.2Å; E445-K449 IonicContact OE1-NZ 2.82Å; E445-K449 PolarHBondContact OE1-NZ 3.29Å
446T63.8Low67.3Low73 Ų7389.6 Ų89.645%0.44848%0.477SS..  trans-62.3143.8-178.5530000110.6E448 K449 V450T446-E448 PolarHBondContact O-N 2.74Å; T446-K449 WeakPolarHBondContact O-CB 3.35Å; T446-K449 PolarHBondContact O-N 2.59Å; T446-V450 PolarHBondContact O-N 2.71Å
447K70Confident68.5Low193 Ų19390.9 Ų90.984%0.83948%0.482SS*.Hα-helixtrans-55.5-27.3176.1-68.8165.1-176.9158.20112.4V450 G451K447-V450 PolarHBondContact O-N 3.09Å; K447-G451 PolarHBondContact O-N 3.37Å
448E75.3Confident69.6Low98 Ų9888.8 Ų88.846%0.45847%0.473SS..Hα-helixtrans-56.2-45.8168.9-172.9-152-179.800113.1T446 G451 K452T446-E448 PolarHBondContact O-N 2.74Å; E448-G451 PolarHBondContact O-N 3.05Å; E448-K452 HydrophobicContact CG-CD 4.27Å; E448-K452 WeakPolarHBondContact O-CB 3.29Å; E448-K452 VanDerWaalsContact O-CG 3.29Å; E448-K452 WeakPolarHBondContact O-CG 3.49Å; E448-K452 PolarHBondContact O-N 3.02Å; E448-K452 WeakPolarHBondContact OE1-CE 3.33Å; E448-K452 IonicContact OE1-NZ 3.8Å; E448-K452 PolarHBondContact OE1-NZ 3.1Å
449K78.4Confident70.8Confident107 Ų10789 Ų8947%0.46548%0.475SS..Hα-helixtrans-63-47.8176.4-78.8-177.8166.6-176.40111.6E445 T446 G451 K452 A453E445-K449 HydrophobicContact CB-CD 4.09Å; E445-K449 HydrophobicContact CG-CD 4.18Å; E445-K449 VanDerWaalsContact OE1-CD 3.22Å; E445-K449 WeakPolarHBondContact OE1-CD 3.49Å; E445-K449 WeakPolarHBondContact OE1-CE 3.2Å; E445-K449 IonicContact OE1-NZ 2.82Å; E445-K449 PolarHBondContact OE1-NZ 3.29Å; T446-K449 WeakPolarHBondContact O-CB 3.35Å; T446-K449 PolarHBondContact O-N 2.59Å; K449-G451 VanDerWaalsContact C-N 3.34Å; K449-G451 PolarHBondContact O-N 2.99Å; K449-K452 PolarHBondContact O-N 3.01Å; K449-A453 PolarHBondContact O-N 2.98Å
450V75.5Confident72.2Confident37 Ų3788.4 Ų88.422%0.22447%0.472CS..Hα-helixtrans-62.4-44.2178.4-174.20000110.1T446 K447 K452 A453 V454T446-V450 PolarHBondContact O-N 2.71Å; K447-V450 PolarHBondContact O-N 3.09Å; V450-K452 PolarHBondContact O-N 3.4Å; V450-A453 PolarHBondContact O-N 3.28Å; V450-V454 HydrophobicContact CG1-CG2 4.39Å; V450-V454 WeakPolarHBondContact O-CB 3.44Å; V450-V454 WeakPolarHBondContact O-CG2 3.46Å; V450-V454 PolarHBondContact O-N 3.39Å
451G80.4Confident73.1Confident20 Ų2085.5 Ų85.521%0.20646%0.463CS..Hα-helixtrans-57.6-45.1173.500000113K447 E448 K449 V454 Y455K447-G451 PolarHBondContact O-N 3.37Å; E448-G451 PolarHBondContact O-N 3.05Å; K449-G451 VanDerWaalsContact C-N 3.34Å; K449-G451 PolarHBondContact O-N 2.99Å; G451-V454 PolarHBondContact O-N 3.16Å; G451-Y455 VanDerWaalsContact O-CB 3.23Å; G451-Y455 WeakPolarHBondContact O-CB 3.31Å; G451-Y455 PolarHBondContact O-N 3.32Å
452K84Confident74.2Confident122 Ų12284.7 Ų84.753%0.5346%0.457SS..Hα-helixtrans-64.6-38.3175.8-75.8171.4177.4177.30112.9E448 K449 V450 S456E448-K452 HydrophobicContact CG-CD 4.27Å; E448-K452 WeakPolarHBondContact O-CB 3.29Å; E448-K452 VanDerWaalsContact O-CG 3.29Å; E448-K452 WeakPolarHBondContact O-CG 3.49Å; E448-K452 PolarHBondContact O-N 3.02Å; E448-K452 WeakPolarHBondContact OE1-CE 3.33Å; E448-K452 IonicContact OE1-NZ 3.8Å; E448-K452 PolarHBondContact OE1-NZ 3.1Å; K449-K452 PolarHBondContact O-N 3.01Å; V450-K452 PolarHBondContact O-N 3.4Å; K452-S456 WeakPolarHBondContact O-CB 3.22Å; K452-S456 PolarHBondContact O-N 3Å; K452-S456 PolarHBondContact O-OG 2.64Å
453A81.2Confident76.1Confident56 Ų5685 Ų8546%0.46345%0.449SS..Hα-helixtrans-67.1-47.4175.900000111.7K449 V450 S456 L457K449-A453 PolarHBondContact O-N 2.98Å; V450-A453 PolarHBondContact O-N 3.28Å; A453-S456 PolarHBondContact O-N 2.82Å; A453-L457 PolarHBondContact O-N 2.7Å
454V79.9Confident77.4Confident30 Ų3078.8 Ų78.818%0.18242%0.422CS..Hα-helixtrans-62.4-43.6176.4170.60000111.3I376 V450 G451 L457 L458I376-V454 HydrophobicContact CD1-CG1 3.81Å; V450-V454 HydrophobicContact CG1-CG2 4.39Å; V450-V454 WeakPolarHBondContact O-CB 3.44Å; V450-V454 WeakPolarHBondContact O-CG2 3.46Å; V450-V454 PolarHBondContact O-N 3.39Å; G451-V454 PolarHBondContact O-N 3.16Å; V454-L457 PolarHBondContact O-N 3.29Å; V454-L458 HydrophobicContact CG1-CD1 3.89Å; V454-L458 HydrophobicContact CG1-CG 4.46Å; V454-L458 WeakPolarHBondContact O-CB 3.5Å; V454-L458 VanDerWaalsContact O-CG 3.3Å; V454-L458 WeakPolarHBondContact O-CG 3.28Å; V454-L458 PolarHBondContact O-N 2.93Å
455Y81.4Confident78.5Confident137 Ų13779.2 Ų79.254%0.53741%0.408SS..Hα-helixtrans-61.8-43.8175.8-178-94.1000112G451 L458 N459G451-Y455 VanDerWaalsContact O-CB 3.23Å; G451-Y455 WeakPolarHBondContact O-CB 3.31Å; G451-Y455 PolarHBondContact O-N 3.32Å; Y455-L458 PolarHBondContact O-N 2.85Å; Y455-N459 WeakPolarHBondContact O-CB 3.4Å; Y455-N459 PolarHBondContact O-N 3.28Å
456S85.2Confident79.6Confident72 Ų7283 Ų8350%0.50342%0.419SS..Hα-helixtrans-61.8-45.6177.7-58.60000111.6K452 A453 N459 E460K452-S456 WeakPolarHBondContact O-CB 3.22Å; K452-S456 PolarHBondContact O-N 3Å; K452-S456 PolarHBondContact O-OG 2.64Å; A453-S456 PolarHBondContact O-N 2.82Å; S456-N459 PolarHBondContact O-N 3.11Å; S456-E460 WeakPolarHBondContact O-CB 3.43Å; S456-E460 PolarHBondContact O-N 2.6Å
457L83Confident80.6Confident66 Ų6684 Ų8435%0.34642%0.421SS..Hα-helixtrans-64.5-41.3177.3-17770.5000112.4L434 A453 V454 E460 N461L434-L457 HydrophobicContact CD1-CD2 3.64Å; A453-L457 PolarHBondContact O-N 2.7Å; V454-L457 PolarHBondContact O-N 3.29Å; L457-E460 PolarHBondContact O-N 2.68Å; L457-N461 WeakPolarHBondContact O-CB 3.47Å; L457-N461 PolarHBondContact O-N 3.1Å; L457-N461 PolarHBondContact O-ND2 2.95Å
458L81.3Confident81.1Confident37 Ų3785 Ų8519%0.19442%0.42CS..Hα-helixtrans-62.3-43.3174.5-75.9168.3000111.2V454 Y455 N461 M462V454-L458 HydrophobicContact CG1-CD1 3.89Å; V454-L458 HydrophobicContact CG1-CG 4.46Å; V454-L458 WeakPolarHBondContact O-CB 3.5Å; V454-L458 VanDerWaalsContact O-CG 3.3Å; V454-L458 WeakPolarHBondContact O-CG 3.28Å; V454-L458 PolarHBondContact O-N 2.93Å; Y455-L458 PolarHBondContact O-N 2.85Å; L458-N461 PolarHBondContact O-N 3.18Å; L458-M462 WeakPolarHBondContact O-CB 3.26Å; L458-M462 WeakPolarHBondContact O-CG 3.35Å; L458-M462 PolarHBondContact O-N 2.91Å
459N81.6Confident81.2Confident79 Ų7985.9 Ų85.942%0.42243%0.428SS..Hα-helixtrans-67.1-41.2178.4-172.769.5000112.5Y455 S456 T463Y455-N459 WeakPolarHBondContact O-CB 3.4Å; Y455-N459 PolarHBondContact O-N 3.28Å; S456-N459 PolarHBondContact O-N 3.11Å; N459-T463 WeakPolarHBondContact O-CB 3.25Å; N459-T463 PolarHBondContact O-N 2.85Å; N459-T463 PolarHBondContact O-OG1 2.79Å
460E88.2Confident81.3Confident115 Ų11589.4 Ų89.454%0.53745%0.446SS..Hα-helixtrans-62.6-47.2174-178.4173.1-170.200111.4S456 L457 T463 N464S456-E460 WeakPolarHBondContact O-CB 3.43Å; S456-E460 PolarHBondContact O-N 2.6Å; L457-E460 PolarHBondContact O-N 2.68Å; E460-T463 WeakPolarHBondContact O-CB 3.06Å; E460-T463 PolarHBondContact O-N 3.04Å; E460-N464 WeakPolarHBondContact O-CB 3.47Å; E460-N464 PolarHBondContact O-N 2.68Å; E460-N464 PolarHBondContact O-ND2 3.15Å
461N80.3Confident81.6Confident65 Ų6592 Ų9235%0.34846%0.457SS..Hα-helixtrans-63.2-42.8177-79.3-32.3000112.6L457 L458 T463 N464 I465L457-N461 WeakPolarHBondContact O-CB 3.47Å; L457-N461 PolarHBondContact O-N 3.1Å; L457-N461 PolarHBondContact O-ND2 2.95Å; L458-N461 PolarHBondContact O-N 3.18Å; N461-T463 VanDerWaalsContact C-N 3.33Å; N461-T463 PolarHBondContact O-N 3.1Å; N461-N464 PolarHBondContact O-N 2.78Å; N461-I465 WeakPolarHBondContact O-CB 3.26Å; N461-I465 WeakPolarHBondContact O-CD1 3.46Å; N461-I465 VanDerWaalsContact O-CG1 3.26Å; N461-I465 WeakPolarHBondContact O-CG1 3.45Å; N461-I465 PolarHBondContact O-N 2.84Å
462M78.8Confident81.7Confident63 Ų6395.8 Ų95.831%0.3147%0.47SS..Hα-helixtrans-63.3-39.2174.4-73.8-172.2-65.800111.9F231 L458 I465 W466F231-M462 HydrophobicContact CE1-CG 4.4Å; F231-M462 HydrophobicContact CE1-SD 4.04Å; F231-M462 HydrophobicContact CZ-CG 4.45Å; F231-M462 HydrophobicContact CZ-SD 4.31Å; L458-M462 WeakPolarHBondContact O-CB 3.26Å; L458-M462 WeakPolarHBondContact O-CG 3.35Å; L458-M462 PolarHBondContact O-N 2.91Å; M462-I465 PolarHBondContact O-N 2.87Å; M462-W466 WeakPolarHBondContact O-CB 2.91Å; M462-W466 PolarHBondContact O-N 3.44Å
463T83.1Confident81.5Confident59 Ų5994.3 Ų94.336%0.36247%0.467SS..Hα-helixtrans-63.7-44174.9-57.90000111.4N459 E460 N461 W466 N467N459-T463 WeakPolarHBondContact O-CB 3.25Å; N459-T463 PolarHBondContact O-N 2.85Å; N459-T463 PolarHBondContact O-OG1 2.79Å; E460-T463 WeakPolarHBondContact O-CB 3.06Å; E460-T463 PolarHBondContact O-N 3.04Å; N461-T463 VanDerWaalsContact C-N 3.33Å; N461-T463 PolarHBondContact O-N 3.1Å; T463-W466 PolarHBondContact O-N 3.02Å; T463-N467 WeakPolarHBondContact O-CB 3.38Å; T463-N467 VanDerWaalsContact O-CG 3.27Å; T463-N467 PolarHBondContact O-N 3.19Å; T463-N467 PolarHBondContact O-ND2 2.77Å
464N83.6Confident81.6Confident84 Ų8496.6 Ų96.645%0.44947%0.467SS..Hα-helixtrans-66.9-35.1177.3-73.9-30.4000112.8E460 N461 R468E460-N464 WeakPolarHBondContact O-CB 3.47Å; E460-N464 PolarHBondContact O-N 2.68Å; E460-N464 PolarHBondContact O-ND2 3.15Å; N461-N464 PolarHBondContact O-N 2.78Å; N464-R468 WeakPolarHBondContact O-CB 3.44Å; N464-R468 PolarHBondContact O-N 2.75Å
465I76.6Confident81.7Confident77 Ų77100.8 Ų100.840%0.39549%0.485SS..Hα-helixtrans-69-43172.9-69.9164.3000110.6W228 N461 M462 R468 N469W228-I465 HydrophobicContact CZ3-CG2 4.47Å; N461-I465 WeakPolarHBondContact O-CB 3.26Å; N461-I465 WeakPolarHBondContact O-CD1 3.46Å; N461-I465 VanDerWaalsContact O-CG1 3.26Å; N461-I465 WeakPolarHBondContact O-CG1 3.45Å; N461-I465 PolarHBondContact O-N 2.84Å; M462-I465 PolarHBondContact O-N 2.87Å; I465-R468 PolarHBondContact O-N 3.47Å; I465-N469 PolarHBondContact O-N 3.32Å; I465-N469 PolarHBondContact O-ND2 3.48Å; I465-N469 VanDerWaalsContact O-ND2 3.14Å
466W80.9Confident81.7Confident154 Ų15498.3 Ų98.358%0.58348%0.481SS*.Hα-helixtrans-63.3-48.6177.6-174.887.8000111.7M462 T463 R468 N469 Q470M462-W466 WeakPolarHBondContact O-CB 2.91Å; M462-W466 PolarHBondContact O-N 3.44Å; T463-W466 PolarHBondContact O-N 3.02Å; W466-R468 PolarHBondContact O-N 3.2Å; W466-N469 PolarHBondContact O-N 2.65Å; W466-Q470 HydrophobicContact CD2-CG 4.32Å; W466-Q470 HydrophobicContact CE3-CG 4.32Å; W466-Q470 HydrophobicContact CH2-CG 4.16Å; W466-Q470 HydrophobicContact CZ2-CG 4.16Å; W466-Q470 HydrophobicContact CZ3-CG 4.24Å; W466-Q470 PolarHBondContact O-N 2.78Å
467N84.7Confident81.4Confident92 Ų92100.2 Ų100.249%0.49248%0.48SS..Hα-helixtrans-60.9-14175-75.1-24.8000114.5T463T463-N467 WeakPolarHBondContact O-CB 3.38Å; T463-N467 VanDerWaalsContact O-CG 3.27Å; T463-N467 PolarHBondContact O-N 3.19Å; T463-N467 PolarHBondContact O-ND2 2.77Å
468R80Confident81.3Confident215 Ų215102.8 Ų102.881%0.81149%0.49SS*.Hα-helixtrans-99.8-12.1178.4-171174.9-177.7-172.10.4113.2N464 I465 W466N464-R468 WeakPolarHBondContact O-CB 3.44Å; N464-R468 PolarHBondContact O-N 2.75Å; I465-R468 PolarHBondContact O-N 3.47Å; W466-R468 PolarHBondContact O-N 3.2Å
469N78Confident81.3Confident117 Ų117108.3 Ų108.363%0.62652%0.515SS*.Hα-helixtrans-105.7-4178.6-66.9-31.5000112.8I465 W466I465-N469 PolarHBondContact O-N 3.32Å; I465-N469 PolarHBondContact O-ND2 3.48Å; I465-N469 VanDerWaalsContact O-ND2 3.14Å; W466-N469 PolarHBondContact O-N 2.65Å
470Q80Confident81.3Confident180 Ų180111 Ų11184%0.84152%0.523SS*.  trans-87.50162.9-62.8-73-13.700109.5W466W466-Q470 HydrophobicContact CD2-CG 4.32Å; W466-Q470 HydrophobicContact CE3-CG 4.32Å; W466-Q470 HydrophobicContact CH2-CG 4.16Å; W466-Q470 HydrophobicContact CZ2-CG 4.16Å; W466-Q470 HydrophobicContact CZ3-CG 4.24Å; W466-Q470 PolarHBondContact O-N 2.78Å

Retrieved 470 of 470 residues in 108.2 ms (Link to these results)