A0A3Q0KS48_SCHMA Loading...

Putative par domain protein

AlphaFold DB (A0A5K4EUF6), UniProt , Accession A0A3Q0KS48, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 549 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.3Low51Low246 Ų246152.2 Ų152.2100%1.21283%0.828SS**  097.20-64.4179.5169.900106.6
2K57.1Low50.9Low213 Ų213147.3 Ų147.393%0.92681%0.814SS**  cis-130.914744.8-67.7167176.9176.40110.5
3S45.8Very low50.9Low101 Ų101145.7 Ų145.771%0.70681%0.814SS**  trans-100175.7-172.6179.70000110.9
4L57.3Low50.9Low144 Ų144144.2 Ų144.275%0.75482%0.818SS**  trans99.4126.5159.7-48.7169.3000115
5N53.6Low50.4Low135 Ų135147 Ų14772%0.72282%0.822SS**  cis-160.9143.9-11-108.6-6.1000106.7
6S47.6Very low50.4Low89 Ų89148.6 Ų148.662%0.62283%0.828SS**  trans-65.3158.8162.249.60000110.7
7D55.8Low50Low139 Ų139145 Ų14574%0.74382%0.815SS**  175.7114.7115.8-78.7-13.8000110.9
8T48.2Very low49.8Very low135 Ų135146.2 Ų146.283%0.82881%0.813SS**  trans-63.1131.2160.934.10000110.7
9N51.5Low49.5Very low160 Ų160147.5 Ų147.586%0.85682%0.817SS**  trans-131.1112.6157.1-86.3-43.1000109.5
10Q44.6Very low49Very low179 Ų179145.6 Ų145.684%0.83682%0.815SS**  trans-72.5142.8160.3-72.1-164.712.600109.2
11C48.2Very low48.9Very low133 Ų133144.5 Ų144.590%0.89982%0.816SS**  trans-143.3120157.1-164.30000108.6
12S49.9Very low48.6Very low94 Ų94137.5 Ų137.566%0.65779%0.792SS**  trans-87.3167.1175.1-64.10000110.8
13P50.7Low48.2Very low126 Ų126135.1 Ų135.182%0.81879%0.789SS**  trans-92.5153.5-152.336.1-32.7000114
14S50.4Low48.4Very low125 Ų125139.8 Ų139.887%0.87480%0.797SS**  trans-110.9139.6166.3-80.30000111.1
15Q44.5Very low47.5Very low186 Ų186139.3 Ų139.387%0.86979%0.794SS**  trans-77.8143.3178.5-58.4-178.1-47.200110.3
16D50Low47.4Very low172 Ų172138.8 Ų138.892%0.9280%0.798SS**  trans-131.3115.7155.1-86-36.9000109.1
17S43.3Very low47.1Very low88 Ų88140.9 Ų140.962%0.61580%0.802SS**  trans-85.4174.116943.50000110.9
18H46.4Very low46.5Very low166 Ų166141.6 Ų141.677%0.76981%0.806SS**  trans93.299.8169.3-51.5-79.6000116
19L44.3Very low46.6Very low171 Ų171141.7 Ų141.790%0.89581%0.806SS**  176.1116.692.1-86.1166.5000109.4
20S39.2Very low45.9Very low110 Ų110141.8 Ų141.877%0.76981%0.806SS**  trans-85134.9165.1-176.30000108.2
21S46.3Very low46.1Very low122 Ų122139.7 Ų139.785%0.85381%0.806SS**  trans-149.9113.5158.9-125.10000110.5
22S45.2Very low45.9Very low100 Ų100140.3 Ų140.370%0.69980%0.799SS**  trans-72.4149.5169.7-57.20000111.6
23N49.8Very low45.7Very low163 Ų163143.1 Ų143.187%0.87281%0.807SS**  trans-169.9101.3151.9-83.6-32.1000104.7
24K49.2Very low45.2Very low198 Ų198144.5 Ų144.586%0.86181%0.808SS**  60.998.763.8-134.7-179-170.3-161.70114.5
25I37.8Very low45Very low134 Ų134148.1 Ų148.169%0.68781%0.811SS**  trans-11.3147.4159.3-48.5159.6000116.6
26P51.9Low45.1Very low125 Ų125144.3 Ų144.381%0.81280%0.804SS**  -136.1148.3109.135.4-22000114.6
27D41.2Very low44.6Very low133 Ų133147.2 Ų147.271%0.71180%0.804SS**  trans-75.1177.9167-64.3-57.3000111.7
28D44.8Very low44.9Very low153 Ų153148.5 Ų148.582%0.81881%0.808SS**  trans90.6126.8-177.9-50.3-29.5000112.7
29V48.5Very low44.9Very low138 Ų138146.3 Ų146.384%0.83681%0.809SS**  cis-164.2142.145-146.10000110.1
30N38.3Very low45.1Very low161 Ų161144.6 Ų144.686%0.86181%0.805SS**  trans-64.1134.7162.9-90.5-32.5000111.5
31V47.5Very low45.4Very low136 Ų136145.6 Ų145.682%0.82481%0.807SS**  trans-151.4134.3142.3-172.10000109.4
32L44.3Very low45.3Very low145 Ų145145 Ų14576%0.75980%0.802SS**  trans-58.2158.1172.4-67.3129.9000112.1
33D45Very low45.3Very low154 Ų154145.9 Ų145.982%0.82481%0.809SS**  179136.7119-83.2-22.9000112.3
34N40.3Very low45Very low155 Ų155145.7 Ų145.783%0.82981%0.806SS**  trans-75.5136.5177.1-63-61.7000110.2
35E47.3Very low44.7Very low201 Ų201144.4 Ų144.494%0.93981%0.805SS**  trans-131.8143156.7-90.9-159.3157.500112.6
36S47.2Very low45Very low105 Ų105144 Ų14473%0.73481%0.809SS**  trans-78.7147.7-156.656.20000115.7
37Y38.5Very low44.5Very low233 Ų233143.8 Ų143.891%0.91480%0.8SS**  trans-61.1132.8161.1-103.6-103.1000112.4
38T50.4Low45.1Very low115 Ų115142.6 Ų142.671%0.70680%0.799SS**  trans-107127.9160.956.50000109.9
39P46.8Very low45Very low120 Ų120143.5 Ų143.578%0.77979%0.792SS**  trans-85.8125.4170.131.8-28000110.4T41P39-T41 PolarHBondContact O-N 2.99Å
40V48.3Very low44.9Very low136 Ų136144.3 Ų144.382%0.82479%0.792SS**  trans-74.5117.7171.5176.30000108.8S42V40-S42 PolarHBondContact O-N 3.05Å
41T44.2Very low45.5Very low131 Ų131143.4 Ų143.480%0.80479%0.787SS**  trans-66.1111.2172.854.20000110.4P39P39-T41 PolarHBondContact O-N 2.99Å
42S45Very low45.3Very low108 Ų108142.1 Ų142.176%0.75578%0.775SS**  trans-86.5114.316852.90000110.1V40 I44V40-S42 PolarHBondContact O-N 3.05Å; S42-I44 PolarHBondContact O-N 3.3Å
43S44.7Very low45.5Very low119 Ų119141.4 Ų141.483%0.83277%0.771SS**  trans-55.7121.6167.9-68.20000110.9M45S43-M45 PolarHBondContact O-N 3.06Å; S43-M45 VanDerWaalsContact O-N 3.12Å
44I44.1Very low45.8Very low160 Ų160139.6 Ų139.682%0.82176%0.762SS**  trans-66.9104.5169.6-65.3169.8000107.7S42S42-I44 PolarHBondContact O-N 3.3Å
45M42.8Very low46Very low170 Ų170143.5 Ų143.584%0.83777%0.765SS**  trans-96.697.4169.7-147.3-174.7-174.400108S43 I47S43-M45 PolarHBondContact O-N 3.06Å; S43-M45 VanDerWaalsContact O-N 3.12Å; M45-I47 PolarHBondContact O-N 3.47Å
46T43.5Very low46Very low127 Ų127137.3 Ų137.378%0.77974%0.741SS**  trans-68.3107177.7-42.60000109.7
47I42.1Very low46.2Very low120 Ų120136.1 Ų136.162%0.61573%0.733SS**  trans-98.5126.1172.1-59.1173.8000108.3M45 Y49M45-I47 PolarHBondContact O-N 3.47Å; I47-Y49 PolarHBondContact O-N 2.92Å
48P54.3Low46.8Very low107 Ų107129.5 Ų129.570%0.69572%0.718SS**  trans-74.1121.7-18028.9-32.6000111.3N50P48-N50 PolarHBondContact O-N 3.39Å; P48-N50 VanDerWaalsContact O-N 3.15Å
49Y42.4Very low46.8Very low172 Ų172129.4 Ų129.468%0.67571%0.712SS**  trans-72.3100.4172.2-62.2-81.6000110.7I47 L51 Q254I47-Y49 PolarHBondContact O-N 2.92Å; Y49-L51 PolarHBondContact O-N 3.29Å; Y49-Q254 PolarHBondContact OH-NE2 3.5Å
50N46.4Very low46.9Very low155 Ų155129.2 Ų129.283%0.82970%0.703SS**  trans-8781.4158.8-98.4-64.1000108.6P48 N52P48-N50 PolarHBondContact O-N 3.39Å; P48-N50 VanDerWaalsContact O-N 3.15Å; N50-N52 PolarHBondContact O-N 3.29Å; N50-N52 VanDerWaalsContact O-N 3.07Å
51L49.5Very low46.8Very low142 Ų142127 Ų12774%0.74369%0.69SS**  trans-71.498.3166.7-79.5160.2000108Y49 L53Y49-L51 PolarHBondContact O-N 3.29Å; L51-L53 HydrophobicContact CB-CD1 4.29Å; L51-L53 VanDerWaalsContact O-CD1 3.3Å; L51-L53 WeakPolarHBondContact O-CD1 3.39Å; L51-L53 PolarHBondContact O-N 2.89Å
52N43.9Very low46.9Very low110 Ų110124.3 Ų124.359%0.58868%0.681SS**  trans-70.397.8174.2-171.9-34.9000109.3N50 N54N50-N52 PolarHBondContact O-N 3.29Å; N50-N52 VanDerWaalsContact O-N 3.07Å; N52-N54 PolarHBondContact O-N 3.49Å; N52-N54 WeakPolarHBondContact OD1-CB 3.38Å; N52-N54 PolarHBondContact OD1-N 2.94Å; N52-N54 VanDerWaalsContact OD1-N 3.09Å; N52-N54 PolarHBondContact OD1-ND2 3.11Å; N52-N54 PolarHBondContact OD1-OD1 2.97Å
53L49.5Very low46.9Very low129 Ų129125.6 Ų125.668%0.67568%0.679SS**  trans-67.211.3177.7-94.678.6000114.6L51 W55 V56L51-L53 HydrophobicContact CB-CD1 4.29Å; L51-L53 VanDerWaalsContact O-CD1 3.3Å; L51-L53 WeakPolarHBondContact O-CD1 3.39Å; L51-L53 PolarHBondContact O-N 2.89Å; L53-W55 PolarHBondContact O-N 3.39Å; L53-V56 PolarHBondContact O-N 2.96Å
54N51.5Low47Very low117 Ų117124.7 Ų124.763%0.62667%0.672SS**THydrogen-bonded Turntrans-690.7-177.6-71-11.7000115.2N52N52-N54 PolarHBondContact O-N 3.49Å; N52-N54 WeakPolarHBondContact OD1-CB 3.38Å; N52-N54 PolarHBondContact OD1-N 2.94Å; N52-N54 VanDerWaalsContact OD1-N 3.09Å; N52-N54 PolarHBondContact OD1-ND2 3.11Å; N52-N54 PolarHBondContact OD1-OD1 2.97Å
55W43Very low47Very low236 Ų236124.9 Ų124.989%0.89467%0.672SS**THydrogen-bonded Turntrans-88.2-5174.7-74.970.1000113.6L53L53-W55 PolarHBondContact O-N 3.39Å
56V47.4Very low46.9Very low71 Ų71121.4 Ų121.443%0.4366%0.664SS.*SBendtrans-95.3-8.1-178.9-170.10000112.7L53 P58 I59 I60L53-V56 PolarHBondContact O-N 2.96Å; V56-P58 VanDerWaalsContact C-CD 3.49Å; V56-I59 PolarHBondContact O-N 3.09Å; V56-I60 HydrophobicContact CG1-CD1 3.84Å; V56-I60 HydrophobicContact CG1-CG1 4.39Å
57S51.8Low46.8Very low81 Ų81119.9 Ų119.957%0.56666%0.664SS**THydrogen-bonded Turntrans-80.2-0.1-169.2-54.90000119.2
58P51.7Low46.9Very low93 Ų93119.3 Ų119.360%0.60467%0.671SS**THydrogen-bonded Turntrans-97.9-18.9165.1-3.922.9000114.4V56V56-P58 VanDerWaalsContact C-CD 3.49Å
59I50.6Low46.2Very low114 Ų114120.2 Ų120.259%0.58568%0.677SS**Hα-helixtrans-85.8-34.1-168.7-62.2173.6000111.2V56V56-I59 PolarHBondContact O-N 3.09Å
60I48.1Very low46Very low116 Ų116116.8 Ų116.860%0.59568%0.678SS**Hα-helixtrans-77.1-27.3179.8-64.2174.7000111.7V56V56-I60 HydrophobicContact CG1-CD1 3.84Å; V56-I60 HydrophobicContact CG1-CG1 4.39Å
61T46.6Very low45.7Very low89 Ų89117.5 Ų117.555%0.54668%0.68SS.*Hα-helixtrans-76.2-27.8178.3-470000112.8
62A46.6Very low45.1Very low74 Ų74118.6 Ų118.661%0.61269%0.686SS**Hα-helixtrans-74.9-24.4177.800000113.3
63L45.1Very low44.6Very low136 Ų136120.6 Ų120.671%0.71270%0.697SS**Hα-helixtrans-84.6-15.1178.3-79.6154.9000113.3
64S46.7Very low43.9Very low99 Ų99122.5 Ų122.569%0.69271%0.706SS**THydrogen-bonded Turntrans-92.20.7-178.1-168.90000114.4
65M43.9Very low43Very low165 Ų165123.5 Ų123.581%0.81372%0.717SS**SBendtrans-115.410-175.6-66.1-163.472.500115
66S40.8Very low42.9Very low97 Ų97116.7 Ų116.768%0.67871%0.706SS**  trans-112.662.3173.272.20000111.6
67A41.2Very low42.3Very low94 Ų94120.6 Ų120.678%0.77772%0.724SS**  trans-104.787.716800000108.6
68S43.4Very low41.7Very low109 Ų109124.7 Ų124.776%0.76274%0.739SS**  trans-91.4116.3166.2-62.70000108.4S70S68-S70 PolarHBondContact O-N 3.2Å
69P40.8Very low41.3Very low125 Ų125125.5 Ų125.581%0.81275%0.746SS**  trans-91.484.5179.234.6-27.4000108.2
70S38.1Very low40.6Very low100 Ų100129.1 Ų129.170%0.69976%0.761SS**  trans-157.9109.2173.5-62.80000107.5S68S68-S70 PolarHBondContact O-N 3.2Å
71I39.9Very low40Very low170 Ų170128.5 Ų128.587%0.87277%0.767SS**  trans153.669.1158.1-70.3148.1000105.4
72L35.9Very low39.8Very low166 Ų166131.8 Ų131.887%0.86978%0.779SS**  trans-126.794.8157.3-77178.8000104.6
73N34.9Very low39.5Very low151 Ų151133.1 Ų133.181%0.80778%0.784SS**  trans166.5115.2160.8-93.3-16.6000106.5
74L34.4Very low39.2Very low169 Ų169131.6 Ų131.689%0.88579%0.785SS**  trans179.874.8151.1-92.6161.5000106.5
75T32.2Very low39Very low138 Ų138131.7 Ų131.785%0.84779%0.785SS**  trans-118.8100.1160.155.60000106.6
76S40.8Very low39Very low94 Ų94132.1 Ų132.166%0.65779%0.786SS**  trans-165141.6160.253.10000110
77D35.9Very low39Very low153 Ų153133.8 Ų133.882%0.81879%0.785SS**  trans93.581.8161.3-52.9-24.1000117.9
78L38.4Very low39Very low166 Ų166134.7 Ų134.787%0.86978%0.781SS**  -148.4132.7125.8-149.360.4000111.8
79S42.4Very low38.6Very low110 Ų110135.3 Ų135.377%0.76978%0.78SS**PPolyproline II helixtrans-65.2131.2-165.850.80000115.9
80H36.4Very low38.6Very low190 Ų190134.3 Ų134.388%0.8878%0.776SS**PPolyproline II helixtrans-102.6122.8159.8-78.7-67.8000110.5
81S36.2Very low38.7Very low103 Ų103134.6 Ų134.672%0.7278%0.778SS**PPolyproline II helixtrans-85.9158.5153.158.90000109.1
82I41.3Very low38.8Very low158 Ų158132.5 Ų132.581%0.8178%0.779SS**  trans100.883.3170.9-48.5165.5000115.1
83S39.9Very low39Very low103 Ų103130.4 Ų130.472%0.7278%0.778SS**  67.2117.5120.2-1310000122.1
84S40.7Very low39.7Very low103 Ų103128.5 Ų128.572%0.7277%0.774SS**  trans92.8108.6131-66.50000119.9
85S41.9Very low40Very low101 Ų101125.8 Ų125.871%0.70677%0.769SS**  trans104.3100.2131.9-51.60000118.1
86Q43.4Very low40.3Very low175 Ų175124.3 Ų124.382%0.81876%0.764SS**  62.1134123.9-68.5-1692.400117.9
87I40.4Very low40.4Very low132 Ų132127 Ų12768%0.67777%0.771SS**  cis-17113521.9-110.2162.2000107.7
88V41.1Very low40.7Very low112 Ų112125.8 Ų125.868%0.67976%0.763SS**  trans72.6106.5133.1-172.20000122
89T36.6Very low40.9Very low123 Ų123125.1 Ų125.176%0.75576%0.758SS**  31.2141.9127.379.90000120
90S40.5Very low40.6Very low103 Ų103124.2 Ų124.272%0.7275%0.751SS**  cis-174.4146.946.645.40000113.4
91S38.8Very low41.1Very low106 Ų106121.3 Ų121.374%0.74175%0.751SS**  trans10.1137.6146.960.80000123
92S42.9Very low41.3Very low127 Ų127124.8 Ų124.889%0.88875%0.753SS**  172.2158.1102.952.50000114.2
93S40.7Very low41.6Very low121 Ų121123.1 Ų123.185%0.84675%0.753SS**  trans-81.6173.4-155.5-117.30000118.2
94P49Very low41.5Very low111 Ų111126 Ų12672%0.72176%0.755SS**  trans-103.9163.4-171.339.8-31.4000114.9
95S40.9Very low41.6Very low113 Ų113128.5 Ų128.579%0.7976%0.759SS**  trans-170.4112.5166.2-69.10000109.2
96S38.7Very low41.3Very low106 Ų106128.5 Ų128.574%0.74176%0.764SS**  96.2160.791.482.60000113.5
97L41.8Very low41.2Very low152 Ų152126 Ų12680%0.79676%0.761SS**  trans96.5133.4-177.5-50.7172000114.7
98L43.4Very low41.1Very low126 Ų126129.6 Ų129.666%0.6677%0.772SS**  cis-175.9150.4-7.2-114.6172.8000106.9
99M41.8Very low41.2Very low153 Ų153130.9 Ų130.975%0.75478%0.78SS**  trans68.9149.2147.3-64.7-63.595.400120.1
100S36.9Very low41.1Very low90 Ų90136.6 Ų136.663%0.62979%0.787SS**  cis178.3149.5-24.551.20000105.2
101C47Very low41.1Very low129 Ų129135.9 Ų135.987%0.87279%0.788SS**  trans152.3106.4148.9-830000111.6
102F40Very low41.1Very low176 Ų176136.2 Ų136.277%0.77279%0.79SS**  trans-81.7169.7169.2-87.3-86.6000111.6Q104F102-Q104 HydrophobicContact CD1-CG 4.11Å; F102-Q104 HydrophobicContact CE1-CG 4.46Å
103P47.7Very low40.7Very low123 Ų123135.1 Ų135.180%0.79978%0.783SS**  -137.614492.529.2-11.1000115
104Q37.4Very low41Very low165 Ų165135.5 Ų135.577%0.77178%0.784SS**  trans-73.5134174.2-67.7160.7-17.200111.2F102F102-Q104 HydrophobicContact CD1-CG 4.11Å; F102-Q104 HydrophobicContact CE1-CG 4.46Å
105I42.8Very low40.7Very low155 Ų155139.6 Ų139.680%0.79579%0.79SS**  trans-113.6107.8165.7-65.2172.3000108.2
106A35.1Very low41Very low100 Ų100139.5 Ų139.583%0.82679%0.787SS**  trans-78.6113.417400000110.5
107T42.6Very low41.2Very low123 Ų123142.6 Ų142.676%0.75580%0.795SS**  trans-95.5103166.747.40000110.4V109T107-V109 PolarHBondContact O-N 3.4Å
108K38.1Very low41.1Very low208 Ų208138.7 Ų138.790%0.90479%0.791SS**  trans-61.1109.5164.9-103.1168.5171.1169.10110R110K108-R110 PolarHBondContact O-N 3.02Å
109V43Very low41Very low138 Ų138143.7 Ų143.784%0.83680%0.801SS**  trans-81.2105161.9178.10000108T107T107-V109 PolarHBondContact O-N 3.4Å
110R34.1Very low41Very low243 Ų243143.7 Ų143.792%0.91780%0.799SS**  trans-96.5101.3170.2-173.9179.2-156141.85107.9K108K108-R110 PolarHBondContact O-N 3.02Å
111A41.1Very low41.1Very low89 Ų89145.8 Ų145.874%0.73680%0.802SS**  trans-129.2107.1159.200000107.9S113A111-S113 PolarHBondContact O-N 3.43Å
112S37.8Very low40.7Very low112 Ų112145.3 Ų145.378%0.78379%0.791SS**  trans-57.4122.2-178.941.20000112.9
113S34.4Very low40.8Very low105 Ų105143.7 Ų143.773%0.73479%0.791SS**  trans-72.2138.415659.30000109.9A111A111-S113 PolarHBondContact O-N 3.43Å
114C48.4Very low40.4Very low128 Ų128143.7 Ų143.787%0.86579%0.788SS**  trans-147.895.4159.3-81.10000106.9
115F41.5Very low40.6Very low197 Ų197141.3 Ų141.386%0.86479%0.79SS**  trans-73.8162.9158.4-97.6-84.8000109.4
116P47.2Very low40.2Very low112 Ų112141.7 Ų141.773%0.72779%0.793SS**  -145.6138.896.930.8-10.8000116.5
117L42.1Very low40.3Very low171 Ų171145.2 Ų145.290%0.89580%0.797SS**  trans49.6121.5132.6-71.7124.8000121.9
118G40.2Very low40Very low69 Ų69144.3 Ų144.371%0.71180%0.795SS**  133.3113.7109.700000118.6
119R42Very low40.3Very low231 Ų231139.6 Ų139.687%0.87279%0.786SS**  trans140.8102.1134-77.1179.5-169-116.53112
120Q40.8Very low39.9Very low154 Ų154139.1 Ų139.172%0.7278%0.783SS**  83104.5105.6-85.5-161.2-39.700113.4
121L38.8Very low40Very low133 Ų133138.2 Ų138.270%0.69678%0.781SS**  73124.395.5-72.6175.7000110
122D40.1Very low40Very low120 Ų120139.7 Ų139.764%0.64278%0.784SS**  cis-166.6166.731.6-86-40.2000112.4
123N41.7Very low39.8Very low141 Ų141142.5 Ų142.575%0.75479%0.785SS**  trans100.981.8149.5-59.6-28.8000122
124V40.1Very low40Very low124 Ų124143.9 Ų143.975%0.75279%0.788SS**  36.7114.3118.2-1610000119.3
125S39.8Very low39.2Very low115 Ų115144.4 Ų144.480%0.80478%0.783SS**  177.7133.4105.6-74.90000112.7
126L34.4Very low39.1Very low163 Ų163142.4 Ų142.485%0.85378%0.78SS**  trans-73.4136.3179.6-66.2146.8000111.6
127L39Very low38.4Very low174 Ų174144.4 Ų144.491%0.91178%0.784SS**  trans-170.8119.2131.9-13166.2000111.3
128S34.5Very low38.3Very low103 Ų103140.8 Ų140.872%0.7278%0.779SS**  trans-80.3-173.6157.554.70000110.2
129P44.3Very low38.2Very low109 Ų109144.3 Ų144.371%0.70878%0.781SS**  cis-131.1-173.1-30.823.20.3000111.2
130T35.7Very low37.9Very low128 Ų128140.3 Ų140.379%0.78578%0.777SS**  trans138.4121.2132.9-54.50000114.1
131Y35.7Very low37.7Very low224 Ų224140.6 Ų140.688%0.87878%0.783SS**  trans-75161168.5-81.4-94.5000111.5
132P41.8Very low37.6Very low120 Ų120141.7 Ų141.778%0.77979%0.788SS**  trans-134.9139.9130.531.7-16.8000114
133Q32.9Very low37.8Very low172 Ų172143.3 Ų143.380%0.80480%0.796SS**  trans-82134.9157.8-83.6-91.6500108.4
134T39Very low37.5Very low133 Ų133143.4 Ų143.482%0.81679%0.792SS**  trans-139.9134.3152.750.10000109.7
135N31.6Very low38Very low140 Ų140145 Ų14575%0.74980%0.796SS**  trans-125118.8-175.8-168.812.6000104.7
136I39.5Very low37.9Very low155 Ų155146.2 Ų146.280%0.79579%0.789SS**  trans-147.1108.2169.5-44.3175.2000108.6
137N33.3Very low38.3Very low153 Ų153144.2 Ų144.282%0.81878%0.779SS**  trans-77138.1157.1-75.2-29.7000108.5
138A39.8Very low38.8Very low95 Ų95143.6 Ų143.679%0.78578%0.777SS**  trans-157.2126.4152.200000109.9
139D36.5Very low39.3Very low144 Ų144146.1 Ų146.177%0.7778%0.783SS**  trans-64.6164.2178.3-60.7-63.8000114.1
140N35.8Very low39.9Very low147 Ų147150.8 Ų150.879%0.78679%0.792SS**  trans67.8105152.1-60.4-29.3000118.2
141L37.7Very low40.4Very low160 Ų160149.5 Ų149.584%0.83879%0.786SS**  trans-154102.5131-135.970.2000111.4
142I37Very low40.7Very low156 Ų156146.6 Ų146.680%0.878%0.784SS**  trans-60.9128.1153-73.1159000107
143N43.2Very low40.8Very low153 Ų153147.1 Ų147.182%0.81878%0.781SS**  trans-157.1146.1148.1-87.7-40.4000110.4
144H36.4Very low40.9Very low143 Ų143147 Ų14766%0.66279%0.785SS**  trans-120.5137.3-159.2175.1-21.3000106.9Q146H144-Q146 VanDerWaalsContact CE1-CG 3.41Å; H144-Q146 WeakPolarHBondContact CE1-CG 3.48Å
145D49.3Very low41.2Very low157 Ų157146.7 Ų146.784%0.8478%0.783SS**  trans-173.3113.7165-95.5-18.9000105
146Q39Very low41.5Very low142 Ų142147.9 Ų147.966%0.66479%0.788SS**  50.3119.457-60.4-94.5-53.100109.7H144H144-Q146 VanDerWaalsContact CE1-CG 3.41Å; H144-Q146 WeakPolarHBondContact CE1-CG 3.48Å
147D42.3Very low41.7Very low120 Ų120150.1 Ų150.164%0.64279%0.792SS**  cis-151.216331-69.2-55.5000108.5
148D48.7Very low42Very low162 Ų162147.2 Ų147.287%0.86678%0.784SS**  -172.4145.773.5-85-50.4000112
149D46.2Very low41.7Very low156 Ų156151.8 Ų151.883%0.83479%0.786SS**  trans-73152.6-168.8-68.4-61.2000118.5
150K56Low41.8Very low207 Ų207151.8 Ų151.890%0.979%0.792SS**  trans-154.7135.9136.3-152.5165.5-174.1-177.40112.8
151P47.1Very low41.6Very low101 Ų101150.8 Ų150.866%0.65679%0.791SS**  trans-114.4163.4-150.341.2-31.4000117.2
152L42.3Very low41.7Very low163 Ų163150 Ų15085%0.85379%0.792SS**  trans64.5121.8146.7-69.1155.8000120.8
153D42.9Very low41.7Very low131 Ų131151 Ų15170%0.70179%0.791SS**  -168.411699.9-152-1.8000112.1
154L35.6Very low41.6Very low170 Ų170148.7 Ų148.789%0.8979%0.787SS**  trans-133.5100.3168.6-83.3170.6000106.8
155T45.4Very low41.9Very low125 Ų125146.2 Ų146.277%0.76779%0.786SS**  trans-99.1105.7175.236.80000110.8
156L37.3Very low41.6Very low165 Ų165146.7 Ų146.786%0.86478%0.783SS**  trans-60.9143.1159.2-73157.9000110.6
157K43.4Very low41.7Very low202 Ų202146 Ų14688%0.87878%0.783SS**  trans-158.392149.9-107.3159.9-171.8-176.30112.2
158S39.7Very low41.6Very low92 Ų92145.8 Ų145.864%0.64379%0.786SS**  trans2.8137.1136.626.90000121.9
159F35Very low41.3Very low191 Ų191146.9 Ų146.984%0.83879%0.786SS**  trans57.3123.8137.4-63.8-71.5000120.7
160T38Very low41.2Very low144 Ų144149.6 Ų149.688%0.88379%0.79SS**  176.1138.499.735.20000112.7
161T30.9Very low40.5Very low126 Ų126148.1 Ų148.177%0.77378%0.784SS**  trans-76.4133.6175.6-53.10000111.9
162V40.9Very low40.3Very low143 Ų143151.4 Ų151.487%0.86780%0.795SS**  trans-152.4138.7141.6-1780000110.7
163K37.3Very low40.3Very low177 Ų177149.9 Ų149.977%0.7779%0.788SS**  trans-70.1175.4-176.3-66.1171171176.30115.7
164S39.5Very low40.3Very low106 Ų106151.2 Ų151.274%0.74180%0.795SS**  trans99.9135.7149.4-380000113
165S42.9Very low40.8Very low90 Ų90150.2 Ų150.263%0.62979%0.786SS**  cis174.1143.7538.50000106.7
166E42.2Very low40.7Very low168 Ų168150.9 Ų150.979%0.78579%0.785SS**  trans63.6149.1142.7-86-175.1129.600119.1
167L41.3Very low41.3Very low126 Ų126148.6 Ų148.666%0.6678%0.783SS**  cis-162.6149.519.4-102.7138.3000108.6
168T41.9Very low41.5Very low116 Ų116148.7 Ų148.771%0.71278%0.783SS**  trans71.810713957.50000123.5
169E40.9Very low42Very low185 Ų185151.6 Ų151.686%0.86479%0.79SS**  -1.6139.2128.3-59.7-178.1149.500119.1
170K44.6Very low43.2Very low213 Ų213148 Ų14893%0.92679%0.786SS**  -164.3120.9122.7-101.5159.6-167.1179.20112.8
171K41.4Very low43.4Very low176 Ų176147.4 Ų147.477%0.76579%0.786SS**  trans-53.8143.5167.3-169.5-178-174.3-164.10112.6
172L43.2Very low44.2Very low171 Ų171150.9 Ų150.990%0.89579%0.785SS**  trans-164.3123.7147.4-104.5165000111
173D42Very low44.7Very low130 Ų130156.3 Ų156.370%0.69579%0.79SS**  trans-71.7144.7174.6-48.5-67.1000111
174N41.8Very low45.3Very low160 Ų160155.2 Ų155.286%0.85679%0.785SS**  trans-170.2149.5134.4-150.91.3000113.4
175E46.3Very low45.9Very low149 Ų149155.9 Ų155.970%0.69679%0.789SS**  trans-68.4170.4-169.4-69.9-98.3128.200117.9
176N44.5Very low46.2Very low138 Ų138156.9 Ų156.974%0.73880%0.797SS**  trans84.3102.1151.2-64.9-41.6000119.4
177S48.8Very low46.6Very low118 Ų118160.4 Ų160.483%0.82580%0.803SS**  178.4143.8102.355.80000113.4
178K47.6Very low47Very low203 Ų203160.6 Ų160.688%0.88381%0.81SS**  trans-56131.6-178.2-71160.9173.3172.20113.7
179I50.9Low47.3Very low153 Ų153163.3 Ų163.379%0.78581%0.814SS**  trans-103.7121.1161.8-59.9172.5000109
180P60.7Low47.7Very low117 Ų117160.7 Ų160.776%0.7681%0.811SS**  trans-93.2114.4171.131.7-26.2000111.5R182P180-R182 PolarHBondContact O-N 3.43Å
181C41.3Very low48.1Very low130 Ų130159.3 Ų159.388%0.87881%0.807SS**  trans-80.4111.6168.7-71.90000110.9
182R49.2Very low48Very low199 Ų199158 Ų15875%0.75181%0.814SS**  trans-146.793.4162.3-158.1-179.5-167.9-177.87.1110.9P180 K184P180-R182 PolarHBondContact O-N 3.43Å; R182-K184 HydrophobicContact CG-CG 4.48Å; R182-K184 VanDerWaalsContact CZ-CE 3.41Å; R182-K184 VanDerWaalsContact NH2-CE 3.26Å
183R49.9Very low48.5Very low258 Ų258159.4 Ų159.497%0.97481%0.813SS**  trans-95.5108.8158.4-83.7-176.2-178.7148.51.2108.7
184K50.3Low48.5Very low154 Ų154159.4 Ų159.467%0.6782%0.818SS**  trans-86.1128.6163.1-74.6-172.9176.2-179.90108.4R182R182-K184 HydrophobicContact CG-CG 4.48Å; R182-K184 VanDerWaalsContact CZ-CE 3.41Å; R182-K184 VanDerWaalsContact NH2-CE 3.26Å
185S52.4Low49.2Very low119 Ų119158.4 Ų158.483%0.83282%0.818SS**  trans-70.9120.8165.9170.20000109.4
186S49.2Very low48.9Very low112 Ų112157 Ų15778%0.78382%0.824SS**  trans-86.1106.8168.549.40000109.4
187R50.4Low48.9Very low241 Ų241155.6 Ų155.691%0.90983%0.826SS**  trans-88111.2166.8-176.6175.1179.6172.2-0.9108.1H189R187-H189 PolarHBondContact O-N 3.15Å
188T50.8Low48.6Very low131 Ų131156 Ų15680%0.80482%0.823SS**  trans-70.5122.9174.144.10000110.4
189H48.1Very low48.5Very low173 Ų173151.8 Ų151.880%0.80182%0.815SS**  trans-102.5109.7171.8-156-11000107.2R187R187-H189 PolarHBondContact O-N 3.15Å
190T47.5Very low48.1Very low130 Ų130149.9 Ų149.980%0.79881%0.81SS**PPolyproline II helixtrans-76.8119.7171.535.90000109.1
191Q53.8Low47.4Very low184 Ų184153.2 Ų153.286%0.8681%0.813SS**PPolyproline II helixtrans-92.1123.1167-68.7-176.521.400108.5
192T39.8Very low47.5Very low148 Ų148152.6 Ų152.691%0.90881%0.805SS**PPolyproline II helixtrans-81.5123166.934.60000109.1
193K53.7Low47.1Very low201 Ų201149.1 Ų149.187%0.87481%0.806SS**  trans-109.8121.2171.8-155.4174.5-173.7-179.60108.6
194T42.8Very low46.8Very low130 Ų130146.8 Ų146.880%0.79880%0.803SS**  trans-71129.7173.142.10000111.1
195T54.5Low46.4Very low138 Ų138148.9 Ų148.985%0.84781%0.812SS**  trans-140.7120.5157.744.80000109.6
196S41.4Very low45.7Very low119 Ų119148.4 Ų148.483%0.83281%0.809SS**  trans-86.5129.8175.4-45.20000110
197S44Very low45.3Very low110 Ų110150.5 Ų150.577%0.76981%0.806SS**  trans-179.6101.2143.254.80000111.4
198T43.1Very low44.8Very low126 Ų126147 Ų14777%0.77380%0.798SS**  43.1127.3125.1-32.10000121.3
199T44.3Very low44.3Very low115 Ų115147.6 Ų147.671%0.70680%0.795SS**  trans89109.9142.635.30000122.6
200T43.6Very low43.6Very low113 Ų113146.6 Ų146.669%0.69380%0.796SS**  trans84114.7131.351.40000121.6
201K45Very low43.5Very low187 Ų187149 Ų14981%0.81380%0.798SS**  48.5127.2125.6-67.1-179.4178.4179.30115.9
202T43.9Very low42.5Very low116 Ų116144.3 Ų144.371%0.71279%0.785SS**  cis179.8158.334.64.60000108.7
203T41.6Very low42.5Very low126 Ų126145.2 Ų145.277%0.77379%0.785SS**  trans69.2101.6146.848.30000122.2
204K41.9Very low42Very low209 Ų209143 Ų14391%0.90978%0.778SS**  13.5124.4129.9-59.7-177.5178.8-1780118.8
205K42.5Very low41.7Very low198 Ų198143.2 Ų143.286%0.86177%0.774SS**  -162.7133.1126.3-135.2178.4-179.4-173.30111.7
206S37.4Very low41.1Very low110 Ų110142.8 Ų142.877%0.76977%0.771SS**  trans-88.9144172.419.90000110.6
207E41.4Very low40.9Very low156 Ų156145.3 Ų145.373%0.72977%0.769SS**  trans-179.7117.6148.7-103.2177.614000107.5
208K40.1Very low40.7Very low168 Ų168146.4 Ų146.473%0.7377%0.772SS**  91.3112.482.9-160.2-170.1-169-175.40110.8
209L39.7Very low40.4Very low143 Ų143147 Ų14775%0.74977%0.77SS**  167.3132.8115.4-110.3104.5000112
210N33.1Very low40.1Very low151 Ų151153.4 Ų153.481%0.80778%0.782SS**  trans-70.4149.4165.3-79.3-28.4000111.2
211Q45Very low39.9Very low182 Ų182156.5 Ų156.585%0.8579%0.788SS**  trans-148.6125.5136.9-131.296.136.200111.2
212S32.9Very low39.4Very low84 Ų84153.6 Ų153.659%0.58779%0.786SS**  trans-55.8150.2169.7156.60000113
213N41.4Very low39Very low168 Ų168156.3 Ų156.390%0.89879%0.79SS**  trans-155.4136.2137.1-89.4-29.6000111.1
214Q41.6Very low38.7Very low155 Ų155157.8 Ų157.872%0.72479%0.792SS**  trans-89.3173.1-169-62.5-153.2-23.600113.9
215D37.5Very low38.5Very low134 Ų134154 Ų15472%0.71778%0.78SS**  trans77.2113.6149.6-55.8-31.3000119.5
216T40.8Very low38.1Very low128 Ų128153.4 Ų153.479%0.78578%0.78SS**  -176.2115.5101.2-59.40000109.3
217Q37.3Very low38Very low172 Ų172156.6 Ų156.680%0.80478%0.783SS**  trans-90.6128.7171.8-174.3176.2700109.1
218T39.8Very low37.6Very low133 Ų133154.7 Ų154.782%0.81679%0.787SS**  trans-128.5111.6166.128.40000110.4
219N36.7Very low37.5Very low139 Ų139155.7 Ų155.774%0.74380%0.795SS**  trans-65.9138.4168.7-90.3-36.9000110.9
220R39.9Very low37.2Very low250 Ų250154.4 Ų154.494%0.94380%0.797SS**  trans-130.3108153.6-81.8-168.8-173.9-165.21.5109.5
221Q39Very low37.4Very low177 Ų177154 Ų15483%0.82779%0.794SS**  trans-66.9135.2164-84.2177.40.800110.2
222V33.6Very low36.9Very low126 Ų126151.1 Ų151.176%0.76479%0.789SS**  77.9115.5107.8-1790000114.2
223E36.6Very low36.7Very low173 Ų173152.8 Ų152.881%0.80880%0.801SS**  trans-162.5112.6135.2-116.9173.4-177.300109.8
224I34.4Very low36.3Very low158 Ų158150.5 Ų150.581%0.8180%0.797SS**  trans-116.5116.4167.7-66.6173.3000104.9
225I37.1Very low35.7Very low129 Ų129148.1 Ų148.166%0.66280%0.798SS**  trans-108.9119170.7-65.4175.1000107.8Q227I225-Q227 HydrophobicContact CG2-CG 4.12Å
226Q35.7Very low35.6Very low185 Ų185148.3 Ų148.386%0.86480%0.804SS**  trans-113.1118.2171.8-138.8171.526.300106
227Q34.9Very low35.3Very low178 Ų178148.7 Ų148.783%0.83280%0.802SS**  trans-111.3124.1171.5-74.6-178.7-5.600108.6I225I225-Q227 HydrophobicContact CG2-CG 4.12Å
228S33.6Very low35.2Very low116 Ų116148.4 Ų148.481%0.81181%0.805SS**  trans-129117.4166.750.90000107.1
229E37.6Very low35.1Very low189 Ų189148.8 Ų148.888%0.88380%0.801SS**  trans-118.1131.6166.3-75-174172.800109.5
230S32.9Very low35.1Very low115 Ų115149.8 Ų149.880%0.80481%0.806SS**  trans-97.813017646.30000109.4
231I37.4Very low34.9Very low144 Ų144141.5 Ų141.574%0.73880%0.799SS**  trans-147.3124.6158.9-27175.9000111.6
232T35.1Very low34.8Very low120 Ų120141.1 Ų141.174%0.73680%0.801SS**  trans59.3116.1145.540.20000122.5
233S28.1Very low35Very low120 Ų120143.7 Ų143.784%0.83980%0.804SS**  trans-48.6132.9151.827.70000114.6
234S33.2Very low34.9Very low119 Ų119142.4 Ų142.483%0.83280%0.802SS**  trans-148.9120.5149.8350000109.8
235S27.9Very low35.1Very low106 Ų106139.7 Ų139.774%0.74180%0.796SS**  trans-72.9128.1175.6172.20000110
236T37Very low35.5Very low138 Ų138142 Ų14285%0.84780%0.804SS**  trans-151.6132.6145.844.20000110.2
237N34Very low36Very low136 Ų136138.7 Ų138.773%0.72779%0.792SS**  trans-67.9138.5-179.3-57.7-53.8000111.2
238N35.4Very low36.8Very low165 Ų165135.7 Ų135.788%0.88278%0.782SS**  trans-140.883.5154.5-103.2-22.8000109.1N240N238-N240 PolarHBondContact O-N 2.98Å
239I38Very low37.8Very low142 Ų142137.3 Ų137.373%0.72877%0.771SS**  trans-66.4115.6151.5-63.5164.8000104.7
240N36.8Very low38.6Very low159 Ų159132.6 Ų132.685%0.8575%0.75SS**  trans162.287154.2-78.8-18.4000109.4N238N238-N240 PolarHBondContact O-N 2.98Å
241G34.8Very low39.9Very low76 Ų76128 Ų12878%0.78472%0.721SS**  trans-162.936174.500000111E243G241-E243 VanDerWaalsContact C-N 3.26Å; G241-E243 PolarHBondContact O-N 3.17Å; G241-E243 VanDerWaalsContact O-N 3.15Å
242I36.3Very low41Very low169 Ų169126.5 Ų126.587%0.86771%0.714SS**  trans-80.984.5168-61.9172.4000105.1
243E38.7Very low42Very low181 Ų181124.4 Ų124.485%0.84670%0.698SS**  trans-94.4124.9166.1-141.1179.8-161.500109.1G241 C245G241-E243 VanDerWaalsContact C-N 3.26Å; G241-E243 PolarHBondContact O-N 3.17Å; G241-E243 VanDerWaalsContact O-N 3.15Å; E243-C245 PolarHBondContact O-N 2.9Å
244L33.8Very low43.3Very low145 Ų145122 Ų12276%0.75967%0.673SS**  trans-73.579.1-166.7-162.878.9000110.3Q246L244-Q246 PolarHBondContact O-N 3.26Å
245C39.3Very low44.3Very low101 Ų101120.9 Ų120.968%0.68266%0.658SS**  trans-76.593.9167.7-73.70000109.3E243 N247E243-C245 PolarHBondContact O-N 2.9Å; C245-N247 VanDerWaalsContact C-N 3.33Å; C245-N247 PolarHBondContact O-N 2.91Å; C245-N247 PolarHBondContact O-OD1 3.35Å
246Q44.6Very low45.6Very low177 Ų177120.3 Ų120.383%0.82765%0.646SS**  trans-58.397.8162.1-78.7178.8-16.100108.5L244 N248L244-Q246 PolarHBondContact O-N 3.26Å; Q246-N248 PolarHBondContact O-N 2.89Å
247N47.3Very low46.4Very low116 Ų116118.6 Ų118.662%0.6263%0.631SS**  trans-70.791.4-177.9-66.8-39.9000110.4C245 W249C245-N247 VanDerWaalsContact C-N 3.33Å; C245-N247 PolarHBondContact O-N 2.91Å; C245-N247 PolarHBondContact O-OD1 3.35Å; N247-W249 PolarHBondContact O-N 3.4Å; N247-W249 VanDerWaalsContact O-N 3.17Å
248N50.9Low47.2Very low115 Ų115117.2 Ų117.262%0.61562%0.62SS**  trans-86.659.8167.5-152.923.2000110.2Q246 I250 G251 D252Q246-N248 PolarHBondContact O-N 2.89Å; N248-I250 PolarHBondContact O-N 3.36Å; N248-G251 WeakPolarHBondContact O-CA 3.3Å; N248-G251 PolarHBondContact O-N 3.45Å; N248-D252 PolarHBondContact O-N 3Å
249W53.9Low48Very low151 Ų151113.4 Ų113.457%0.57260%0.603SS**Hα-helixtrans-55.8-25.1-176.463.5-72.8000114N247 I253N247-W249 PolarHBondContact O-N 3.4Å; N247-W249 VanDerWaalsContact O-N 3.17Å; W249-I253 HydrophobicContact CE3-CD1 3.88Å; W249-I253 HydrophobicContact CZ3-CD1 4.25Å; W249-I253 VanDerWaalsContact O-CG1 3.29Å; W249-I253 WeakPolarHBondContact O-CG1 3.39Å; W249-I253 PolarHBondContact O-N 2.93Å
250I54.2Low48.5Very low90 Ų90111.7 Ų111.746%0.46260%0.595SS.*Hα-helixtrans-69.5-38.9174.8-72.1148.4000111N248 I253 Q254N248-I250 PolarHBondContact O-N 3.36Å; I250-I253 PolarHBondContact O-N 3.22Å; I250-Q254 WeakPolarHBondContact O-CB 3.47Å; I250-Q254 PolarHBondContact O-N 3.15Å; I250-Q254 VanDerWaalsContact O-N 3.12Å
251G62.1Low49Very low17 Ų17111.1 Ų111.118%0.17559%0.587CS.*Hα-helixtrans-65-44.4174.900000111.9N248 I253 Q254 D255N248-G251 WeakPolarHBondContact O-CA 3.3Å; N248-G251 PolarHBondContact O-N 3.45Å; G251-I253 VanDerWaalsContact C-N 3.28Å; G251-I253 PolarHBondContact O-N 3Å; G251-Q254 PolarHBondContact O-N 2.9Å; G251-D255 WeakPolarHBondContact O-CB 3.45Å; G251-D255 PolarHBondContact O-N 3.36Å
252D60.5Low49.6Very low114 Ų114111 Ų11161%0.6158%0.575SS**Hα-helixtrans-61.7-35.7178.6-65.5-23.9000112.5N248 L256N248-D252 PolarHBondContact O-N 3Å; D252-L256 WeakPolarHBondContact O-CB 3.36Å; D252-L256 PolarHBondContact O-N 3.4Å
253I54.2Low50.1Low75 Ų75110.2 Ų110.239%0.38557%0.572SS.*Hα-helixtrans-69.1-38174.6-69.8169.6000110.9W249 I250 G251 I257W249-I253 HydrophobicContact CE3-CD1 3.88Å; W249-I253 HydrophobicContact CZ3-CD1 4.25Å; W249-I253 VanDerWaalsContact O-CG1 3.29Å; W249-I253 WeakPolarHBondContact O-CG1 3.39Å; W249-I253 PolarHBondContact O-N 2.93Å; I250-I253 PolarHBondContact O-N 3.22Å; G251-I253 VanDerWaalsContact C-N 3.28Å; G251-I253 PolarHBondContact O-N 3Å; I253-I257 HydrophobicContact CG2-CD1 3.96Å; I253-I257 WeakPolarHBondContact O-CD1 3.39Å; I253-I257 VanDerWaalsContact O-CG1 3.23Å; I253-I257 WeakPolarHBondContact O-CG1 3.04Å; I253-I257 PolarHBondContact O-N 3.44Å; I253-I257 VanDerWaalsContact O-N 3.1Å
254Q56.6Low50.7Low70 Ų70109.4 Ų109.433%0.32757%0.568SS.*Hα-helixtrans-75.2-40.2-176.6-145.1147.29.800111.7Y49 I250 G251 I257 Q258Y49-Q254 PolarHBondContact OH-NE2 3.5Å; I250-Q254 WeakPolarHBondContact O-CB 3.47Å; I250-Q254 PolarHBondContact O-N 3.15Å; I250-Q254 VanDerWaalsContact O-N 3.12Å; G251-Q254 PolarHBondContact O-N 2.9Å; Q254-I257 PolarHBondContact O-N 3.34Å; Q254-Q258 WeakPolarHBondContact O-CB 3.4Å; Q254-Q258 VanDerWaalsContact O-CG 3.26Å; Q254-Q258 WeakPolarHBondContact O-CG 3.43Å; Q254-Q258 PolarHBondContact O-N 2.87Å
255D53.4Low51.2Low95 Ų95111.9 Ų111.951%0.50857%0.573SS.*Hα-helixtrans-66-41.1172.7-73.9-14.9000110.8G251 I257 Q258 T259G251-D255 WeakPolarHBondContact O-CB 3.45Å; G251-D255 PolarHBondContact O-N 3.36Å; D255-I257 PolarHBondContact O-N 2.97Å; D255-Q258 PolarHBondContact O-N 3.42Å; D255-T259 WeakPolarHBondContact O-CB 3.19Å; D255-T259 VanDerWaalsContact O-CG2 3.28Å; D255-T259 WeakPolarHBondContact O-CG2 3.25Å; D255-T259 PolarHBondContact O-N 2.93Å; D255-T259 PolarHBondContact O-OG1 2.92Å; D255-T259 VanDerWaalsContact O-OG1 3.08Å
256L55.8Low51.3Low94 Ų94117.8 Ų117.849%0.49258%0.581SS.*Hα-helixtrans-64.4-26.9175.1-17064000112.8D252 N260D252-L256 WeakPolarHBondContact O-CB 3.36Å; D252-L256 PolarHBondContact O-N 3.4Å; L256-N260 PolarHBondContact O-ND2 2.95Å
257I53.2Low51.4Low103 Ų103115 Ų11553%0.52858%0.578SS.*Hα-helixtrans-81-40.9173.4-68.9166000110.7I253 Q254 D255 N260I253-I257 HydrophobicContact CG2-CD1 3.96Å; I253-I257 WeakPolarHBondContact O-CD1 3.39Å; I253-I257 VanDerWaalsContact O-CG1 3.23Å; I253-I257 WeakPolarHBondContact O-CG1 3.04Å; I253-I257 PolarHBondContact O-N 3.44Å; I253-I257 VanDerWaalsContact O-N 3.1Å; Q254-I257 PolarHBondContact O-N 3.34Å; D255-I257 PolarHBondContact O-N 2.97Å; I257-N260 PolarHBondContact O-N 3.07Å
258Q52.2Low51.4Low106 Ų106121.1 Ų121.150%0.49559%0.593SS.*Hα-helixtrans-74.6-33.8-176.4-72.8174.727.600113.9Q254 D255 N260 E261 S262Q254-Q258 WeakPolarHBondContact O-CB 3.4Å; Q254-Q258 VanDerWaalsContact O-CG 3.26Å; Q254-Q258 WeakPolarHBondContact O-CG 3.43Å; Q254-Q258 PolarHBondContact O-N 2.87Å; D255-Q258 PolarHBondContact O-N 3.42Å; Q258-N260 PolarHBondContact O-N 3.47Å; Q258-E261 PolarHBondContact O-N 2.95Å; Q258-S262 PolarHBondContact O-N 3.23Å; Q258-S262 PolarHBondContact O-OG 3.01Å
259T50.5Low51.3Low85 Ų85120.8 Ų120.852%0.52160%0.6SS.*THydrogen-bonded Turntrans-67-14.5173.959.60000112.6D255D255-T259 WeakPolarHBondContact O-CB 3.19Å; D255-T259 VanDerWaalsContact O-CG2 3.28Å; D255-T259 WeakPolarHBondContact O-CG2 3.25Å; D255-T259 PolarHBondContact O-N 2.93Å; D255-T259 PolarHBondContact O-OG1 2.92Å; D255-T259 VanDerWaalsContact O-OG1 3.08Å
260N49Very low50.9Low107 Ų107120.5 Ų120.557%0.57261%0.614SS**THydrogen-bonded Turntrans-95.6-14178.1-76.6-53.1000114L256 I257 Q258L256-N260 PolarHBondContact O-ND2 2.95Å; I257-N260 PolarHBondContact O-N 3.07Å; Q258-N260 PolarHBondContact O-N 3.47Å
261E48Very low50.7Low146 Ų146121.2 Ų121.268%0.68263%0.627SS**THydrogen-bonded Turntrans-95.3-27.3176.1-76.6-163148.500113.6Q258 D263 Q264Q258-E261 PolarHBondContact O-N 2.95Å; E261-D263 VanDerWaalsContact C-N 3.33Å; E261-D263 PolarHBondContact O-N 3.4Å; E261-Q264 PolarHBondContact O-N 2.95Å
262S47.2Very low49.8Very low75 Ų75125.8 Ų125.852%0.52466%0.657SS.*G310 helixtrans-69.9-25-174.632.20000114Q258Q258-S262 PolarHBondContact O-N 3.23Å; Q258-S262 PolarHBondContact O-OG 3.01Å
263D47.8Very low49.1Very low152 Ų152132.2 Ų132.281%0.81367%0.673SS**G310 helixtrans-92.24.8180-82.2-19.3000115.2E261E261-D263 VanDerWaalsContact C-N 3.33Å; E261-D263 PolarHBondContact O-N 3.4Å
264Q50Low49.4Very low164 Ų164138.9 Ų138.977%0.76669%0.693SS**G310 helixtrans-101.28.6178.5-72-155.151.600115.4E261 R266E261-Q264 PolarHBondContact O-N 2.95Å; Q264-R266 PolarHBondContact O-N 3.5Å
265K43.6Very low49.3Very low196 Ų196141.7 Ų141.785%0.85272%0.717SS**  trans-75.371.1174.9-74.7-176.7-180175.40112.2
266R42.2Very low49.1Very low226 Ų226146.8 Ų146.885%0.85374%0.735SS**  trans-75.7133.4164-160.6176.9-170.9-1721.7108.8Q264 R268Q264-R266 PolarHBondContact O-N 3.5Å; R266-R268 PolarHBondContact O-N 3.2Å; R266-R268 VanDerWaalsContact O-N 3.07Å
267P47.6Very low48.8Very low119 Ų119151.3 Ų151.377%0.77375%0.751SS**  trans-62.5116.1179.824.4-32.5000109.7S269P267-S269 PolarHBondContact O-N 3.35Å
268R46.2Very low48.4Very low243 Ų243151.1 Ų151.192%0.91777%0.765SS**  trans-68.898.5167.3-97.9-177.3174179.81107.5R266 T270R266-R268 PolarHBondContact O-N 3.2Å; R266-R268 VanDerWaalsContact O-N 3.07Å; R268-T270 PolarHBondContact O-N 3.24Å; R268-T270 VanDerWaalsContact O-N 3.11Å
269S48.7Very low48Very low109 Ų109155.2 Ų155.276%0.76278%0.781SS**  trans-61.8111164.857.40000109P267 S271P267-S269 PolarHBondContact O-N 3.35Å; S269-S271 PolarHBondContact O-N 3.47Å; S269-S271 VanDerWaalsContact O-N 3.13Å
270T46.9Very low47.4Very low144 Ų144154.5 Ų154.588%0.88379%0.791SS**  trans-67.499.4171.748.50000109.2R268R268-T270 PolarHBondContact O-N 3.24Å; R268-T270 VanDerWaalsContact O-N 3.11Å
271S48.9Very low47.3Very low105 Ų105156.6 Ų156.673%0.73480%0.802SS**  trans-136.8105.8165.6-172.20000109.7S269S269-S271 PolarHBondContact O-N 3.47Å; S269-S271 VanDerWaalsContact O-N 3.13Å
272S43.4Very low47.2Very low114 Ų114156.6 Ų156.680%0.79781%0.812SS**  trans42.474.8156.1-176.60000117.1
273R46.5Very low47.2Very low249 Ų249159.3 Ų159.394%0.9483%0.825SS**  trans-89.6113.3157.3-86.4-171-179.9-150.20.3110.1
274R60.7Low47.4Very low214 Ų214157.6 Ų157.681%0.80882%0.822SS**PPolyproline II helixtrans-50.5144.1166.1-69.4178.7174.4-152.2-2.6110.8F276R274-F276 PolarHBondContact O-N 3.14Å
275P53.2Low47.4Very low130 Ų130155.4 Ų155.484%0.84483%0.825SS**PPolyproline II helixtrans-73116.3177.130-30.9000109K277P275-K277 PolarHBondContact O-N 3.41Å
276F49.2Very low47.7Very low202 Ų202152 Ų15289%0.88682%0.815SS**PPolyproline II helixtrans-75.7121.6165-80.2-83.2000108.3R274 A278R274-F276 PolarHBondContact O-N 3.14Å; F276-A278 PolarHBondContact O-N 2.92Å
277K50.5Low48.1Very low189 Ų189144.4 Ų144.482%0.82280%0.796SS**  trans-58.1112.3174.2-155.8118.9174.2177.70108.6P275 F279P275-K277 PolarHBondContact O-N 3.41Å; K277-F279 PolarHBondContact O-N 3.32Å
278A45Very low48.4Very low99 Ų99143.8 Ų143.882%0.81879%0.791SS**  trans-70.1114174.100000109.1F276F276-A278 PolarHBondContact O-N 2.92Å
279F43.1Very low48.7Very low192 Ų192138.9 Ų138.984%0.84278%0.778SS**  trans-85.7125.8159.1-81.1-82.7000107.5K277K277-F279 PolarHBondContact O-N 3.32Å
280G38Very low48.8Very low70 Ų70139 Ų13972%0.72277%0.769SS**  trans-70131.4-169.500000113.1
281N46.7Very low48.8Very low151 Ų151138.3 Ų138.381%0.80776%0.759SS**  trans-125.596.2157.5-66.1-9.9000106.1V283N281-V283 PolarHBondContact O-N 2.9Å
282T46Very low49Very low145 Ų145138.9 Ų138.989%0.8975%0.754SS**  trans-62.3115.4166.8370000109.1
283V48.7Very low49.6Very low132 Ų132141.4 Ų141.480%0.875%0.75SS**PPolyproline II helixtrans-85.2129169.1178.90000107.6N281 S285N281-V283 PolarHBondContact O-N 2.9Å; V283-S285 PolarHBondContact O-N 3.15Å
284P49.9Very low49.8Very low116 Ų116133 Ų13375%0.75373%0.73SS**PPolyproline II helixtrans-71.2128178.327.7-30.5000110.1I286P284-I286 PolarHBondContact O-N 3.38Å
285S51.7Low49.2Very low118 Ų118126.2 Ų126.283%0.82572%0.715SS**PPolyproline II helixtrans-61.6117.3172.2-172.20000109.4V283 S287V283-S285 PolarHBondContact O-N 3.15Å; S285-S287 PolarHBondContact O-N 2.96Å
286I49.5Very low49.5Very low126 Ų126128.4 Ų128.465%0.64671%0.711SS**PPolyproline II helixtrans-69.2118.2166.5-86.1166.1000107.1P284 I290P284-I286 PolarHBondContact O-N 3.38Å; I286-I290 HydrophobicContact CG2-CB 4.27Å; I286-I290 HydrophobicContact CG2-CD1 4.26Å
287S49.8Very low49.6Very low65 Ų65126.5 Ų126.546%0.45571%0.709SS.*PPolyproline II helixtrans-56.2136.9-178-154.50000110.7S285 E289 I290S285-S287 PolarHBondContact O-N 2.96Å; S287-E289 PolarHBondContact O-N 3.31Å; S287-I290 PolarHBondContact O-N 2.92Å
288T54.4Low49.8Very low107 Ų107123.1 Ų123.166%0.65670%0.699SS**Hα-helixtrans-51.7-22.3176.844.20000112.9I290 L291 L292T288-I290 VanDerWaalsContact C-N 3.3Å; T288-I290 PolarHBondContact O-N 3.17Å; T288-L291 PolarHBondContact O-N 2.99Å; T288-L292 WeakPolarHBondContact O-CD1 3.44Å; T288-L292 PolarHBondContact O-N 3.29Å
289E51.9Low50Low140 Ų140123.9 Ų123.965%0.65469%0.689SS**Hα-helixtrans-64.2-25.5176.1-59.7-166.1-177.100114.9S287S287-E289 PolarHBondContact O-N 3.31Å
290I52.1Low50.5Low111 Ų111119.3 Ų119.357%0.56968%0.679SS**Hα-helixtrans-77.6-31.3176-64.3173.1000110.4I286 S287 T288I286-I290 HydrophobicContact CG2-CB 4.27Å; I286-I290 HydrophobicContact CG2-CD1 4.26Å; S287-I290 PolarHBondContact O-N 2.92Å; T288-I290 VanDerWaalsContact C-N 3.3Å; T288-I290 PolarHBondContact O-N 3.17Å
291L47.1Very low51.1Low130 Ų130122.3 Ų122.368%0.68168%0.678SS**Hα-helixtrans-74.6-28.3175.5-120.1100.1000112.7T288 S294T288-L291 PolarHBondContact O-N 2.99Å; L291-S294 PolarHBondContact O-OG 3.48Å
292L52.3Low51.2Low117 Ų117121.9 Ų121.961%0.61368%0.675SS**Hα-helixtrans-81.8-9176.2-86.692.2000114.1T288 S295T288-L292 WeakPolarHBondContact O-CD1 3.44Å; T288-L292 PolarHBondContact O-N 3.29Å; L292-S295 PolarHBondContact O-OG 2.94Å
293K56.9Low51.3Low166 Ų166121 Ų12172%0.72266%0.664SS**Hα-helixtrans-91.6-22.3176.4-87.8176.3171.3-173.90113.7
294S48.8Very low51.2Low73 Ų73119 Ų11951%0.5165%0.652SS.*Hα-helixtrans-85.7-16.5176.4490000113.7L291 K296L291-S294 PolarHBondContact O-OG 3.48Å; S294-K296 VanDerWaalsContact C-N 3.25Å; S294-K296 PolarHBondContact O-N 3.42Å
295S48.9Very low50.7Low71 Ų71120.5 Ų120.550%0.49765%0.653SS.*G310 helixtrans-76.5-5.8176.856.30000114.5L292 L297L292-S295 PolarHBondContact O-OG 2.94Å; S295-L297 VanDerWaalsContact C-N 3.33Å
296K59.7Low50.4Low176 Ų176120.4 Ų120.477%0.76565%0.648SS**G310 helixtrans-85.40.7179-67.5-173.1178.5-172.30114.6S294S294-K296 VanDerWaalsContact C-N 3.25Å; S294-K296 PolarHBondContact O-N 3.42Å
297L50.9Low50.1Low162 Ų162120.4 Ų120.485%0.84865%0.648SS**G310 helixtrans-110.28.3178.8-73.7167.9000113.2S295S295-L297 VanDerWaalsContact C-N 3.33Å
298I55.4Low49.7Very low118 Ų118124.9 Ų124.961%0.60567%0.667SS**SBendtrans-95.4118.5170.3-74.390.4000107.7P300I298-P300 WeakPolarHBondContact O-CD 3.28Å
299D48.3Very low49.2Very low115 Ų115129.7 Ų129.762%0.61568%0.679SS**  trans-55.8120.9175.8-98.5-31000110.7L301 L302D299-L301 PolarHBondContact O-N 3.26Å; D299-L302 PolarHBondContact O-N 3.15Å
300P54.4Low48.6Very low96 Ų96129 Ų12962%0.62369%0.689SS**G310 helixtrans-64.2-9.5179.822.1-30000113.7I298I298-P300 WeakPolarHBondContact O-CD 3.28Å
301L49.4Very low48Very low133 Ų133133 Ų13370%0.69671%0.706SS**G310 helixtrans-81.7-13.8177.9-62.3-177.7000114.1D299D299-L301 PolarHBondContact O-N 3.26Å
302L50.3Low47.9Very low142 Ų142135.4 Ų135.474%0.74371%0.711SS**G310 helixtrans-86.6-8.4173.9-68.8-179.6000113.6D299D299-L302 PolarHBondContact O-N 3.15Å
303L47.5Very low47.5Very low126 Ų126135.8 Ų135.866%0.6671%0.713SS**SBendtrans-92.5-14.6176.2-16460.2000112.9T306L303-T306 PolarHBondContact O-OG1 2.91Å
304V45.6Very low46.8Very low91 Ų91135.9 Ų135.955%0.55272%0.722SS**G310 helixtrans-79.9-19.5-174.2172.30000113.1T306V304-T306 PolarHBondContact O-N 3.47Å; V304-T306 VanDerWaalsContact O-N 3.15Å
305N40.5Very low46.5Very low147 Ų147139.2 Ų139.279%0.78673%0.734SS**G310 helixtrans-83.415.8-178.2-74.4-8000115.1
306T44.7Very low46.3Very low116 Ų116141.2 Ų141.271%0.71275%0.748SS**G310 helixtrans-122.66.2178.451.90000114.4L303 V304L303-T306 PolarHBondContact O-OG1 2.91Å; V304-T306 PolarHBondContact O-N 3.47Å; V304-T306 VanDerWaalsContact O-N 3.15Å
307I44.3Very low45.4Very low127 Ų127142 Ų14265%0.65175%0.751SS**SBendtrans-13493.2178.8-54.4172.4000106.4
308D40.1Very low44.8Very low158 Ų158139 Ų13985%0.84574%0.744SS**  trans157.878156.8-86.3-16000110.3
309K45.1Very low44.5Very low208 Ų208141 Ų14190%0.90475%0.754SS**SBendtrans-146.4125.9150-72.4-157.4177.1-1750109.8
310S38Very low44Very low126 Ų126143.5 Ų143.588%0.88176%0.762SS**  trans73.374.7166.174.70000118.9
311E40.4Very low43.4Very low195 Ų195148 Ų14891%0.91178%0.775SS**  trans-113.5115.1138.9-169.4172.9-154.400106.5
312K45.4Very low42.8Very low181 Ų181146.9 Ų146.979%0.78777%0.773SS**  trans-167.1122.2159.1-107.2179.8-172.1-178.40110.8
313D42.4Very low42.2Very low125 Ų125148.2 Ų148.267%0.66878%0.776SS**  trans76.3101.4146.7-45.9-27.1000117.8
314N43.5Very low42Very low167 Ų167152 Ų15289%0.89379%0.79SS**  -167.3134.4123.8-89.8-49.5000111.7
315D41.5Very low41.8Very low143 Ų143156.6 Ų156.677%0.76580%0.803SS**  trans-87.7160.3-162.5-58.1-64.4000115.1
316S44.4Very low41.8Very low114 Ų114155 Ų15580%0.79780%0.799SS**  trans89.2134.9140.4-56.80000121.8
317K42.2Very low41.6Very low192 Ų192155.4 Ų155.484%0.83580%0.801SS**  trans90.392163.6-63.9178.4179.5176.80116.2
318S37.5Very low41.3Very low99 Ų99154 Ų15469%0.69280%0.803SS**  63.9108.874.578.20000114.4
319I48.4Very low41.5Very low161 Ų161154 Ų15483%0.82680%0.801SS**  -179.4115.2128.9-92.1152.9000108.7
320E38.2Very low41.4Very low166 Ų166149.6 Ų149.678%0.77679%0.791SS**  trans-68.7148.1164.4-72171.5122.500110.5
321H43.2Very low42.3Very low191 Ų191149.3 Ų149.388%0.88479%0.787SS**  trans-156.7128.1132.6-91.4-57.2000111.2
322T36.7Very low42.8Very low110 Ų110144.3 Ų144.368%0.67577%0.771SS**  trans-82.3146.4-173.8-41.50000112.3
323E36.4Very low42.9Very low170 Ų170144 Ų14479%0.79477%0.772SS**  trans15.9128152.1-55.9177161.900120.1
324Q44.3Very low43.1Very low204 Ų204143.4 Ų143.495%0.95378%0.778SS**  -163.5136.2126.3-106.3166.659.900114.5
325K40.8Very low43.2Very low188 Ų188140.6 Ų140.682%0.81777%0.769SS**  trans-66.8140.5177.3175.3-172.7-179179.90112.5
326T40.2Very low43.5Very low115 Ų115140 Ų14071%0.70677%0.77SS**  161.6126.6126.837.90000113.8
327T41.4Very low43.5Very low124 Ų124139.5 Ų139.576%0.76176%0.764SS**  trans47125.814061.60000121.1
328S37.7Very low43.5Very low98 Ų98138 Ų13869%0.68576%0.762SS**  163.2140.69376.50000113.7
329I43.3Very low44.1Very low156 Ų156141 Ų14180%0.877%0.768SS**  trans82.8103.1143.6-59.2154.9000119.7
330T43.4Very low43.6Very low116 Ų116141.4 Ų141.471%0.71277%0.765SS**  trans-65.2166.2157.1-20.10000112.3
331P57.3Low44.1Very low120 Ų120141 Ų14178%0.77977%0.766SS**  -140.3150.2106.835.6-23000115.1
332P50.4Low44.1Very low90 Ų90137.3 Ų137.358%0.58476%0.759SS**  trans-105.3-164.1171.939.8-29.4000112.5
333H48.1Very low44.1Very low176 Ų176137.9 Ų137.982%0.81576%0.762SS**  trans97.5126.7177.1-53.9-73000113.8
334S45.5Very low44.5Very low112 Ų112136.3 Ų136.378%0.78377%0.765SS**  cis-157144.948.754.70000114.7
335P46.2Very low44.3Very low108 Ų108134.3 Ų134.370%0.70176%0.761SS**  trans-106.6175.3153.336-25.8000112.2
336T47.8Very low44.4Very low130 Ų130128.8 Ų128.880%0.79876%0.757SS**  trans101150.5163.2-38.10000115.3
337P45.4Very low44.6Very low103 Ų103129.8 Ų129.867%0.66976%0.758SS**  cis-127.4161.9-3.713.612.1000116.7
338M41.4Very low44.7Very low161 Ų161130.6 Ų130.679%0.79376%0.758SS**  trans-68.3135.7153.7-73.1-91.7-77.300110.7F340M338-F340 HydrophobicContact CE-CD2 4.26Å; M338-F340 HydrophobicContact CE-CE2 3.91Å
339I50.8Low44.9Very low161 Ų161130.9 Ų130.983%0.82676%0.759SS**  trans-116.8113.1164.7-65.4177.1000108.1
340F37.4Very low45.2Very low171 Ų171134.1 Ų134.175%0.7576%0.762SS**  trans-90.8167.8158.5-102.1-92.1000109.1M338M338-F340 HydrophobicContact CE-CD2 4.26Å; M338-F340 HydrophobicContact CE-CE2 3.91Å
341I48.3Very low45.2Very low158 Ų158140 Ų14081%0.8177%0.771SS**  trans123.4135.5163.2-62.2155.2000111.4
342P43.1Very low44.8Very low112 Ų112143.7 Ų143.773%0.72778%0.775SS**  cis-137.2-176.2-43.640-18.7000112.6
343T36.1Very low44.4Very low122 Ų122144.6 Ų144.675%0.74878%0.781SS**  trans-62146174.849.90000116.4
344T46Very low44.4Very low137 Ų137144 Ų14484%0.8478%0.781SS**  trans-152.9110.4133.8540000112.8
345N40.6Very low44.5Very low163 Ų163144.3 Ų144.387%0.87278%0.778SS**  trans32.8131.8134.8-62.7-11.6000122.2
346G42.2Very low44.2Very low71 Ų71148.7 Ų148.773%0.73279%0.787SS**  trans176.350.2165.300000118.3
347N43.8Very low44.1Very low137 Ų137149.9 Ų149.973%0.73379%0.786SS**  trans60.8111.8143.5-63.7-17000122.7
348N43.3Very low43.9Very low141 Ų141155 Ų15575%0.75480%0.798SS**  73.5108.4117.8-52.6-18000120.2
349S42.6Very low44.1Very low103 Ų103152.6 Ų152.672%0.7280%0.797SS**  136.9125.597.7-156.70000115.3
350R49.2Very low43.6Very low225 Ų225156.4 Ų156.485%0.84980%0.801SS**  trans79.793.2150.7-79.2173.8-178.1-131.4-1.5120.7
351R43Very low44.1Very low239 Ų239158.8 Ų158.890%0.90281%0.805SS**  trans-42.2141.8140.6-63.5175174.9176.3-1.7112.9
352K49.2Very low43.8Very low198 Ų198156.4 Ų156.486%0.86180%0.803SS**  -152.2130.8125.9-70.5-160.8-179.6178.60110.2
353P42.7Very low44Very low109 Ų109158.4 Ų158.471%0.70880%0.802SS**  trans-90.7151.6168.736-29000109.4
354I48.4Very low44.3Very low162 Ų162157.6 Ų157.683%0.83180%0.802SS**  trans-176.6121.5151.6-98.6149.6000111.9
355V46.3Very low44.1Very low119 Ų119155.2 Ų155.272%0.72180%0.796SS**  trans65.8121.2133-171.30000121.3
356K40.4Very low44.3Very low201 Ų201153 Ų15387%0.87479%0.793SS**  trans-50.5124.8161.2-60163.3178.7166.50112.2
357I45.3Very low44.2Very low154 Ų154155.4 Ų155.479%0.7980%0.796SS**  trans-138.4116.9149.2-61.4-176.6000109
358K40.6Very low44.2Very low210 Ų210156.5 Ų156.591%0.91380%0.801SS**  trans-69.9127.5161-82.5160.5170.5173.40107.6
359S45.9Very low43.9Very low111 Ų111157 Ų15778%0.77680%0.803SS**  trans-147.2124155.8-167.30000111
360R41.3Very low43.8Very low241 Ų241160.8 Ų160.891%0.90981%0.81SS**  trans-60.7131.5163.8-78167.4158.2175.7-7.8108.9
361R47.2Very low43.4Very low221 Ų221156.9 Ų156.983%0.83480%0.804SS**  trans-161.9109.9135.7-155.1162.4177.7170.5-3.4111.2
362S41.9Very low43.3Very low109 Ų109154.1 Ų154.176%0.76280%0.802SS**  trans-74.6131.7159.938.10000110.2
363Q48.1Very low42.7Very low153 Ų153151.8 Ų151.872%0.71580%0.798SS**  trans-165.7112.2147.3-70-150.1600106.3
364S41.8Very low43Very low106 Ų106153.7 Ų153.774%0.74180%0.801SS**  52.9129.9108720000113.6
365A42.7Very low42.8Very low87 Ų87152.2 Ų152.272%0.71980%0.795SS**  cis-168153.629.500000110.9
366S45.3Very low42.9Very low117 Ų117154 Ų15482%0.81880%0.801SS**  trans71.1145.4145.4-57.60000122.7
367P39.8Very low43.1Very low120 Ų120149.9 Ų149.978%0.77979%0.788SS**  trans-110154-155.537.7-23.8000113.5
368L42.2Very low42.9Very low161 Ų161149.6 Ų149.684%0.84379%0.788SS**  trans-122.5116166.5-154.678.1000109.4
369N38.3Very low43.2Very low151 Ų151149.1 Ų149.181%0.80779%0.786SS**  trans-63.5129.7168.4-77-35.1000109.7
370Q40.5Very low42.8Very low182 Ų182149.9 Ų149.985%0.8579%0.786SS**  trans-130.6124147.1-79.3-171.1-0.100109.2
371I40.3Very low42.9Very low144 Ų144144.5 Ų144.574%0.73878%0.78SS**  trans-78.7121.5174.2-67.4161.1000106.2
372E41.5Very low42.5Very low180 Ų180139.8 Ų139.884%0.84178%0.776SS**  trans-128.5106.8154.2-90.3-173.6166.400108.5
373N35.7Very low42.8Very low149 Ų149141.8 Ų141.880%0.79778%0.783SS**  trans-74.5119.4163.9-73.2-26000107.8
374I50.3Low42.5Very low150 Ų150141.2 Ų141.277%0.76979%0.785SS**  trans-127.7119.1152.8-60.9-179.2000107.7
375N42.7Very low42.6Very low130 Ų130145.6 Ų145.670%0.69579%0.791SS**  trans-82.7126.7179.8-15218.8000107
376D49.8Very low42.5Very low157 Ų157145.8 Ų145.884%0.8479%0.793SS**  trans-138.7122.5161.4-92.7-34.4000110.6
377N43.2Very low42.2Very low114 Ų114147.7 Ų147.761%0.6179%0.793SS**  trans-86.2149.1-166.1-74.1-47.5000112.2
378N42.8Very low42Very low148 Ų148147.8 Ų147.879%0.79180%0.796SS**  trans66.9105.2141-56-14.4000119.9
379K45.2Very low42Very low200 Ų200145.7 Ų145.787%0.8779%0.79SS**  -149.499.8128.9-155.1168.8-175.5175.80111.5
380T38.1Very low42.4Very low128 Ų128145.1 Ų145.179%0.78579%0.793SS**  trans-68.6130.6165.2370000111.1
381T42.7Very low42.7Very low127 Ų127146.4 Ų146.478%0.77980%0.795SS**  trans-140.3104.7151.236.30000108.5
382T38.7Very low42.8Very low122 Ų122144.6 Ų144.675%0.74880%0.796SS**  trans-62.3132.9164.937.30000111.2
383V49.4Very low42.7Very low151 Ų151143.4 Ų143.492%0.91579%0.794SS**  trans-139.3110.7150.9-121.20000107.5
384D42.1Very low43Very low141 Ų141145.6 Ų145.675%0.75480%0.8SS**  trans-80.6141.3-178.1-90.1-46.2000111.6
385K42.7Very low42.5Very low198 Ų198144 Ų14486%0.86180%0.797SS**  68101.1122.3-153.7176.1-160.7176.50119.2
386A41.7Very low42.2Very low92 Ų92146.4 Ų146.476%0.7681%0.809SS**  trans166.9110.4152.200000106.5
387L39.4Very low41.6Very low157 Ų157145.1 Ų145.182%0.82281%0.811SS**  -171.8127.764.9-122.768.7000107.1
388S33.9Very low41.6Very low121 Ų121148.8 Ų148.885%0.84682%0.821SS**  trans-117.3106.5161.4-89.70000107.3
389T43.7Very low41.6Very low117 Ų117149.7 Ų149.772%0.71882%0.82SS**  trans177.7112.4163.529.10000103.2
390T45.8Very low41.6Very low140 Ų140148.4 Ų148.486%0.85982%0.823SS**  -154.3124.184.242.80000111.1
391K46.5Very low42.2Very low208 Ų208150.7 Ų150.790%0.90482%0.822SS**  trans-89.7122.6149.9-67.9177.9177.3178.90105.8
392S41.7Very low42.1Very low107 Ų107149.9 Ų149.975%0.74882%0.822SS**  trans166.9149.9149.8-167.90000108.2
393L41.1Very low42.4Very low155 Ų155150 Ų15081%0.81282%0.822SS**  trans89.150.1177.9-49.4174.8000116.7
394E40.3Very low42Very low195 Ų195148.8 Ų148.891%0.91181%0.814SS**  trans-110.863.5150-80.7-171.6170.400109.9
395T40.2Very low42.2Very low115 Ų115149.6 Ų149.671%0.70682%0.818SS**  trans-156.987.3163.5470000107.9
396L37.5Very low42.2Very low181 Ų181147.1 Ų147.195%0.94881%0.813SS**  trans-178.273.7153.7-115.692.5000107.4
397C37.1Very low42.1Very low130 Ų130148.3 Ų148.388%0.87881%0.814SS**  trans-147.361.7172-1450000108.7
398K43.1Very low42.6Very low192 Ų192147.3 Ų147.384%0.83581%0.814SS**  trans-154.7104.5168.3-63.3-171-178-179.40106.3
399H42.5Very low42.8Very low166 Ų166147.7 Ų147.777%0.76981%0.811SS**  trans165.678.3148.1-92.284.1000108.1
400D45.5Very low42.8Very low174 Ų174149 Ų14993%0.9382%0.819SS**  trans-121.599.3153.3-87.7-32.6000105.6
401K51.3Low42.6Very low176 Ų176148.2 Ų148.277%0.76582%0.815SS**  trans-90.3124.6169.5-76.7-178.6179.1177.70107.4V403K401-V403 PolarHBondContact O-N 3.11Å
402S40.9Very low42.6Very low109 Ų109144.7 Ų144.776%0.76281%0.811SS**  trans-54.9121.6171.754.10000111.2
403V43.3Very low42.5Very low126 Ų126145 Ų14576%0.76481%0.809SS**  trans-91.2108.3164.5173.70000107.6K401 L405K401-V403 PolarHBondContact O-N 3.11Å; V403-L405 HydrophobicContact CG1-CD1 3.46Å; V403-L405 VanDerWaalsContact CG1-CD1 3.46Å
404V41.8Very low42.8Very low124 Ų124144.4 Ų144.475%0.75281%0.811SS**  trans-88.4118.8165172.80000106.1
405L45.6Very low42.7Very low158 Ų158141.7 Ų141.783%0.82781%0.808SS**  trans-104.9122.7167.1-114.583.1000109.7V403V403-L405 HydrophobicContact CG1-CD1 3.46Å; V403-L405 VanDerWaalsContact CG1-CD1 3.46Å
406L43.7Very low43.1Very low146 Ų146142.9 Ų142.976%0.76482%0.815SS**PPolyproline II helixtrans-76.6146.6179.2-15975.8000110.6
407P39.7Very low43.1Very low118 Ų118140.9 Ų140.977%0.76681%0.811SS**PPolyproline II helixtrans-91.2122.4170.932.7-26.6000110.7
408T49.9Very low43.5Very low135 Ų135139.4 Ų139.483%0.82881%0.808SS**PPolyproline II helixtrans-92.6120.7168.135.20000110.9
409T36.9Very low43.9Very low129 Ų129139.1 Ų139.179%0.79181%0.81SS**PPolyproline II helixtrans-74.6133.2166.748.90000111.1
410T45.5Very low43.8Very low144 Ų144136.5 Ų136.588%0.88381%0.81SS**  trans-166129134.418.30000112.2
411T40.4Very low44Very low124 Ų124134.6 Ų134.676%0.76180%0.804SS**  trans-49.7145.9172.4-27.20000113.9
412T45.8Very low43.8Very low134 Ų134137 Ų13782%0.82281%0.809SS**  -173.9137.4114.5-55.10000110.4
413T40.6Very low44Very low115 Ų115137.3 Ų137.371%0.70681%0.811SS**  trans-62.5137.9-175.345.50000116.3
414T46.4Very low43.9Very low141 Ų141139 Ų13987%0.86581%0.814SS**  trans-156.6128133.341.60000110.6
415T39.2Very low44.1Very low138 Ų138137.6 Ų137.685%0.84781%0.81SS**  trans-70.8121.4-178.943.90000112.8
416T47.5Very low44Very low140 Ų140135.6 Ų135.686%0.85981%0.809SS**  trans-156.3132.7147.9-24.60000112
417T38.5Very low44.6Very low140 Ų140133.6 Ų133.686%0.85980%0.803SS**  trans-57118.9-175.1-38.50000113.7
418A45.9Very low45Very low99 Ų99133.6 Ų133.682%0.81880%0.803SS**  trans-153.4137.2159.500000111.7
419Q50.1Low44.8Very low185 Ų185131.3 Ų131.386%0.86479%0.793SS**  trans-78.6144.3-156.5-66163.4-13.900113.8V421Q419-V421 PolarHBondContact O-N 2.92Å
420S40.3Very low45.1Very low111 Ų111131 Ų13178%0.77679%0.794SS**  trans-66105.8174.2-178.80000111.2R422S420-R422 PolarHBondContact O-N 2.87Å
421V51.7Low45.4Very low134 Ų134133.8 Ų133.881%0.81279%0.79SS**  trans-79.896.7165.2-85.80000109.2Q419 S423Q419-V421 PolarHBondContact O-N 2.92Å; V421-S423 PolarHBondContact O-N 3.35Å; V421-S423 VanDerWaalsContact O-N 3.11Å
422R45.1Very low45.8Very low226 Ų226130.9 Ų130.985%0.85378%0.775SS**  trans-60.8108.7166.6-76.9-177.8175.7-163.8-1.2109S420 I424S420-R422 PolarHBondContact O-N 2.87Å; R422-I424 PolarHBondContact O-N 3.3Å; R422-I424 VanDerWaalsContact O-N 3.12Å
423S46.5Very low45.9Very low117 Ų117128.1 Ų128.182%0.81876%0.761SS**  trans-72.799.4170.5-66.90000109.7V421 S425V421-S423 PolarHBondContact O-N 3.35Å; V421-S423 VanDerWaalsContact O-N 3.11Å; S423-S425 VanDerWaalsContact C-N 3.31Å; S423-S425 PolarHBondContact O-N 3.41Å; S423-S425 VanDerWaalsContact O-N 3.14Å
424I40Very low46.4Very low162 Ų162132 Ų13283%0.83176%0.764SS**  trans-78.277.4167.343.1165.3000109.6R422R422-I424 PolarHBondContact O-N 3.3Å; R422-I424 VanDerWaalsContact O-N 3.12Å
425S46.3Very low46.7Very low93 Ų93129.7 Ų129.765%0.6575%0.753SS**  trans-96.182168.7-179.90000109.7S423 T427S423-S425 VanDerWaalsContact C-N 3.31Å; S423-S425 PolarHBondContact O-N 3.41Å; S423-S425 VanDerWaalsContact O-N 3.14Å; S425-T427 PolarHBondContact O-N 3.29Å; S425-T427 VanDerWaalsContact O-N 3.1Å
426S43.2Very low47.2Very low116 Ų116130.1 Ų130.181%0.81175%0.746SS**  trans-8263.9172.847.20000111.3
427T57.4Low47.3Very low104 Ų104129.4 Ų129.464%0.63874%0.736SS**  trans-94.5121.2160.852.60000108.5S425 S429S425-T427 PolarHBondContact O-N 3.29Å; S425-T427 VanDerWaalsContact O-N 3.1Å; T427-S429 PolarHBondContact O-N 3.02Å
428P48.3Very low48Very low119 Ų119128.3 Ų128.377%0.77372%0.724SS**  trans-67.3100.7177.526.2-29.7000108.6C430P428-C430 PolarHBondContact O-N 3.2Å
429S45.3Very low48.1Very low87 Ų87130.1 Ų130.161%0.60872%0.719SS**  trans-67.579.3173.7-176.40000109.4T427 Y431 S432T427-S429 PolarHBondContact O-N 3.02Å; S429-Y431 PolarHBondContact O-N 3.31Å; S429-S432 WeakPolarHBondContact OG-CB 3.32Å
430C42.4Very low48.1Very low121 Ų121125.1 Ų125.182%0.81871%0.71SS**SBendtrans-82.96.8175.362.90000112.9P428P428-C430 PolarHBondContact O-N 3.2Å
431Y52.9Low48.4Very low203 Ų203126.8 Ų126.880%0.79671%0.71SS**SBendtrans-119.1-10-178.1-140.9-99.4000114.6S429S429-Y431 PolarHBondContact O-N 3.31Å
432S47.6Very low48.2Very low64 Ų64127.6 Ų127.645%0.44871%0.71SS.*SBendtrans-85.3-15.3-177.4-162.50000114.5S429 Y434S429-S432 WeakPolarHBondContact OG-CB 3.32Å; S432-Y434 PolarHBondContact O-N 2.89Å
433S48.8Very low48.3Very low75 Ų75124.1 Ų124.152%0.52471%0.709SS.*Hα-helixtrans-81-9.3-172.4-177.60000114.8L437S433-L437 WeakPolarHBondContact O-CD1 3.48Å
434Y50.7Low48.4Very low198 Ų198126.1 Ų126.178%0.77671%0.71SS**Hα-helixtrans-89-16.1-175.8-129-91.8000114.8S432S432-Y434 PolarHBondContact O-N 2.89Å
435S53.4Low48.6Very low92 Ų92126 Ų12664%0.64371%0.711SS**Hα-helixtrans-92.9-34.1-179-59.70000112.6
436E50.1Low48.5Very low147 Ų147128.9 Ų128.969%0.68772%0.719SS**Hα-helixtrans-79.9-15.9-178.1-74173.4167.500114.3
437L49.5Very low48.8Very low124 Ų124130.1 Ų130.165%0.64972%0.717SS**Hα-helixtrans-85.3-7.9178.2-82.8165000114.2S433S433-L437 WeakPolarHBondContact O-CD1 3.48Å
438I52.5Low48.5Very low118 Ų118131.9 Ų131.961%0.60572%0.722SS**Hα-helixtrans-90-26.2-178.4-58-176.4000111.3
439D47.8Very low48.4Very low136 Ų136133.9 Ų133.973%0.72773%0.727SS**Hα-helixtrans-93.9-18.6-177.1-64-28.1000113.6N441D439-N441 VanDerWaalsContact C-N 3.31Å; D439-N441 PolarHBondContact O-N 3.06Å
440A49.9Very low48.6Very low81 Ų81135 Ų13567%0.66973%0.734SS**THydrogen-bonded Turntrans-77.5-7-179.200000115.1
441N46.3Very low48.8Very low145 Ų145135.6 Ų135.678%0.77573%0.734SS**THydrogen-bonded Turntrans-112.313.4-171.9-157.623.4000114.5D439D439-N441 VanDerWaalsContact C-N 3.31Å; D439-N441 PolarHBondContact O-N 3.06Å
442N47.5Very low48.1Very low151 Ų151130.2 Ų130.281%0.80773%0.732SS**SBendtrans-113.813.2-174.8-1358.9000114.2
443N48.1Very low48Very low154 Ų154134.8 Ų134.882%0.82475%0.751SS**SBendtrans-118.522.3-173.7-134.39.6000114.7
444N48.5Very low47.8Very low159 Ų159137.6 Ų137.685%0.8576%0.76SS**  trans-132.136.9-175.4-114.32.5000114
445N43.6Very low47.5Very low158 Ų158134.8 Ų134.885%0.84576%0.759SS**  trans-130.171173.5-101.8-13.8000110.2
446N44.7Very low47.2Very low154 Ų154137.7 Ų137.782%0.82477%0.767SS**  trans-162.490.6156.5-92.5-21.5000106.7
447N49.4Very low46.9Very low143 Ų143137.4 Ų137.477%0.76577%0.77SS**  trans170.9125.1137.2-86.7-14.1000111.9
448N51.8Low46.8Very low140 Ų140136.3 Ų136.375%0.74977%0.773SS**  trans88.895.7142.2-54.7-13.7000119S450N448-S450 PolarHBondContact O-N 3.23Å
449N45.6Very low46.9Very low162 Ų162136.7 Ų136.787%0.86678%0.781SS**  trans-30.7118.4131.1-76.2-26000111.5
450S49.2Very low47.1Very low109 Ų109138 Ų13876%0.76279%0.788SS**  trans179119.6134.2-83.50000110.9N448N448-S450 PolarHBondContact O-N 3.23Å
451T45.9Very low47.5Very low134 Ų134140.8 Ų140.882%0.82279%0.79SS**  trans68.5113.3136.4-40.50000118.6N453T451-N453 PolarHBondContact O-N 2.9Å
452A39.7Very low48.2Very low90 Ų90141.5 Ų141.574%0.74479%0.792SS**  trans-43.7129.8163.500000113.3
453N45.4Very low48.5Very low160 Ų160141.1 Ų141.186%0.85679%0.785SS**  trans-158.2143134.6-127.2-15.6000112.5T451T451-N453 PolarHBondContact O-N 2.9Å
454N43.4Very low49.1Very low135 Ų135139 Ų13972%0.72278%0.778SS**  trans-73.9159.6-179-68.4-56000112
455N45.8Very low49.5Very low138 Ų138139.1 Ų139.174%0.73878%0.779SS**  trans95.8124.6154.5-52.9-32.6000117.2
456N46.3Very low50.2Low153 Ų153133.8 Ų133.882%0.81875%0.753SS**  trans60.8115147.7-51.6-19.2000116
457D44.7Very low51.4Low142 Ų142130.3 Ų130.376%0.75974%0.735SS**  164.7135.291.3-149.3-15.8000110
458S47.2Very low52Low100 Ų100129.1 Ų129.170%0.69974%0.735SS**  trans-20.3125.9165.7-36.80000116.3
459T54.8Low52.5Low127 Ų127132.6 Ų132.678%0.77974%0.738SS**  trans-168103.7140.334.60000112.9I461T459-I461 PolarHBondContact O-N 3.17Å
460N52.2Low53.4Low163 Ų163132.5 Ų132.587%0.87273%0.734SS**  trans46.662.8140.5-69.2-31.2000120
461I57.9Low54.1Low140 Ų140135 Ų13572%0.71873%0.727SS**  trans-88.2117151.2-58.4179.5000106.7T459 H463T459-I461 PolarHBondContact O-N 3.17Å; I461-H463 PolarHBondContact O-CD2 3.32Å; I461-H463 PolarHBondContact O-N 2.91Å
462I60.6Low55.3Low160 Ų160139.3 Ų139.382%0.82173%0.728SS**  trans-58.486.9173.8-60.3172.3000108T464I462-T464 PolarHBondContact O-N 3.31Å
463H53.5Low56.5Low142 Ų142144 Ų14466%0.65773%0.731SS**  trans-69.399.5167.7-86-81.5000106.1I461 D465I461-H463 PolarHBondContact O-CD2 3.32Å; I461-H463 PolarHBondContact O-N 2.91Å; H463-D465 PolarHBondContact O-N 2.98Å
464T61.2Low58.1Low110 Ų110141.5 Ų141.568%0.67572%0.724SS**  trans-50.3116.515756.70000106.5I462 C466I462-T464 PolarHBondContact O-N 3.31Å; T464-C466 PolarHBondContact O-N 2.95Å; T464-C466 PolarHBondContact O-SG 3.42Å; T464-C466 VanDerWaalsContact O-SG 3.35Å
465D56.7Low60Low162 Ų162143.9 Ų143.987%0.86673%0.731SS**  trans-61.477.4-177-74.3-43.2000110.8H463 N467H463-D465 PolarHBondContact O-N 2.98Å; D465-N467 PolarHBondContact O-N 3.11Å; D465-N467 VanDerWaalsContact O-N 3.09Å
466C58.9Low61.7Low46 Ų46145.3 Ų145.331%0.31174%0.735SS.*  trans-74.6102.2169.842.50000106T464 P468 R471T464-C466 PolarHBondContact O-N 2.95Å; T464-C466 PolarHBondContact O-SG 3.42Å; T464-C466 VanDerWaalsContact O-SG 3.35Å; C466-P468 WeakPolarHBondContact O-CD 3.22Å; C466-R471 PolarHBondContact SG-NH1 3.29Å; C466-R471 PolarHBondContact SG-NH2 3.45Å; C466-R471 VanDerWaalsContact SG-NH2 3.41Å
467N68.7Low63.5Low81 Ų81140.3 Ų140.343%0.43371%0.71SS.*  trans-36.2110176.5-176.4-20000110.3D465 R469 M470D465-N467 PolarHBondContact O-N 3.11Å; D465-N467 VanDerWaalsContact O-N 3.09Å; N467-R469 PolarHBondContact O-N 3.23Å; N467-R469 WeakPolarHBondContact OD1-CB 3.41Å; N467-R469 PolarHBondContact OD1-N 3.46Å; N467-M470 HydrophobicContact CB-CG 4.13Å; N467-M470 HydrophobicContact CB-SD 4.22Å; N467-M470 WeakPolarHBondContact O-CB 3.25Å; N467-M470 PolarHBondContact O-N 3.27Å
468P62.6Low65.6Low118 Ų118136.8 Ų136.877%0.76670%0.695SS**G310 helixtrans-62.1-18.2-17421.6-31.6000111.6C466 M470 R471C466-P468 WeakPolarHBondContact O-CD 3.22Å; P468-M470 PolarHBondContact O-N 2.82Å; P468-R471 PolarHBondContact O-N 3.12Å
469R63.3Low67.5Low213 Ų213136.1 Ų136.180%0.80469%0.69SS**G310 helixtrans-70.8-14.9173.8-145.3174.978.4152.12.1113.9N467N467-R469 PolarHBondContact O-N 3.23Å; N467-R469 WeakPolarHBondContact OD1-CB 3.41Å; N467-R469 PolarHBondContact OD1-N 3.46Å
470M63.1Low69Low159 Ų159136.7 Ų136.778%0.78368%0.684SS**G310 helixtrans-93.1-18.5178.6-69.8-175.458.600113.8N467 P468 R472N467-M470 HydrophobicContact CB-CG 4.13Å; N467-M470 HydrophobicContact CB-SD 4.22Å; N467-M470 WeakPolarHBondContact O-CB 3.25Å; N467-M470 PolarHBondContact O-N 3.27Å; P468-M470 PolarHBondContact O-N 2.82Å; M470-R472 PolarHBondContact O-N 3.01Å
471R64.1Low70.6Confident163 Ų163132.8 Ų132.862%0.61567%0.666SS**  trans-100.466.8175.5-67.5-176.5177.8162.71.7109.9C466 P468 F473C466-R471 PolarHBondContact SG-NH1 3.29Å; C466-R471 PolarHBondContact SG-NH2 3.45Å; C466-R471 VanDerWaalsContact SG-NH2 3.41Å; P468-R471 PolarHBondContact O-N 3.12Å; R471-F473 PolarHBondContact O-N 3.05Å
472R71.8Confident72.3Confident223 Ų223130.2 Ų130.284%0.84265%0.65SS**  trans-61.8111.7160.7-71-175-176.9-1150.4106.2M470 P474M470-R472 PolarHBondContact O-N 3.01Å; R472-P474 WeakPolarHBondContact O-CD 3.46Å; R472-P474 VanDerWaalsContact O-N 3.17Å
473F65.4Low73.9Confident188 Ų188127.4 Ų127.483%0.82564%0.636SS**  trans-50.2124170-80.2-87.6000107.5R471 E475R471-F473 PolarHBondContact O-N 3.05Å; F473-E475 PolarHBondContact O-N 3.5Å
474P79Confident75.9Confident109 Ų109128.1 Ų128.171%0.70864%0.638SS**  trans-58.1110.9177.7-24.834.3000109.1R472 M476R472-P474 WeakPolarHBondContact O-CD 3.46Å; R472-P474 VanDerWaalsContact O-N 3.17Å; P474-M476 PolarHBondContact O-N 2.88Å
475E81.3Confident77.5Confident185 Ų185126.2 Ų126.286%0.86463%0.633SS**PPolyproline II helixtrans-62.7124.6167.9-75.2179.9-17300107.6F473 T477F473-E475 PolarHBondContact O-N 3.5Å; E475-T477 PolarHBondContact O-N 2.91Å
476M82.6Confident79.4Confident167 Ų167121.6 Ų121.682%0.82360%0.604SS**PPolyproline II helixtrans-61.3134.5178.2-65.4-63.2165.400108.7P474 P478P474-M476 PolarHBondContact O-N 2.88Å; M476-P478 WeakPolarHBondContact O-CD 3.28Å; M476-P478 VanDerWaalsContact O-N 3.14Å
477T84.1Confident81.1Confident49 Ų49126 Ų12630%0.30161%0.614SS.*PPolyproline II helixtrans-60.1121.2175.1-48.40000108.6E475 V481 K482 Y486E475-T477 PolarHBondContact O-N 2.91Å; T477-V481 HydrophobicContact CG2-CB 4.35Å; T477-K482 HydrophobicContact CG2-CG 4.34Å; T477-K482 WeakPolarHBondContact O-CE 3.47Å; T477-Y486 HydrophobicContact CG2-CD2 4.07Å; T477-Y486 HydrophobicContact CG2-CE2 3.69Å; T477-Y486 WeakPolarHBondContact OG1-CE2 3.47Å; T477-Y486 PolarHBondContact OG1-OH 3.17Å
478P88.5Confident82.5Confident68 Ų68126.2 Ų126.244%0.44261%0.613SS.*PPolyproline II helixtrans-59.2148.6179.821.9-31.1000110.7M476 E480 V481M476-P478 WeakPolarHBondContact O-CD 3.28Å; M476-P478 VanDerWaalsContact O-N 3.14Å; P478-E480 WeakPolarHBondContact CB-OE2 3.46Å; P478-E480 PolarHBondContact O-N 3.4Å; P478-V481 HydrophobicContact CG-CB 4.38Å; P478-V481 HydrophobicContact CG-CG2 3.89Å; P478-V481 PolarHBondContact O-N 3.33Å
479S86.8Confident84.1Confident85 Ų85128.2 Ų128.259%0.59461%0.609SS**G310 helixtrans-57.6-34.9-17421.30000112.8V481 K482S479-V481 PolarHBondContact O-N 3.32Å; S479-K482 PolarHBondContact O-N 2.91Å
480E86.6Confident85.7Confident140 Ų140123 Ų12365%0.65459%0.59SS**G310 helixtrans-70.7-13.6-174.5-53.569.4-13300112.5P478P478-E480 WeakPolarHBondContact CB-OE2 3.46Å; P478-E480 PolarHBondContact O-N 3.4Å
481V86.6Confident87.4Confident81 Ų81120 Ų12049%0.49158%0.58SS.*G310 helixtrans-109.93.1-176.8-169.30000111.6T477 P478 S479 D483T477-V481 HydrophobicContact CG2-CB 4.35Å; P478-V481 HydrophobicContact CG-CB 4.38Å; P478-V481 HydrophobicContact CG-CG2 3.89Å; P478-V481 PolarHBondContact O-N 3.33Å; S479-V481 PolarHBondContact O-N 3.32Å; V481-D483 PolarHBondContact O-N 2.96Å
482K92.6Very high89Confident85 Ų85118.8 Ų118.837%0.3758%0.579SS.*  trans-81.953.4177-67.4-177.6-177.7167.70112T477 S479 Y486 W487T477-K482 HydrophobicContact CG2-CG 4.34Å; T477-K482 WeakPolarHBondContact O-CE 3.47Å; S479-K482 PolarHBondContact O-N 2.91Å; K482-Y486 HydrophobicContact CB-CD1 4.06Å; K482-Y486 HydrophobicContact CB-CE1 4.4Å; K482-Y486 HydrophobicContact CD-CE1 4.38Å; K482-Y486 HydrophobicContact CG-CD1 4.01Å; K482-Y486 HydrophobicContact CG-CE1 3.9Å; K482-W487 HydrophobicContact CB-CZ2 4.42Å; K482-W487 HydrophobicContact CD-CZ2 4.28Å; K482-W487 PolarHBondContact O-NE1 3.39Å
483D94.7Very high90.3Very high101 Ų101112.9 Ų112.954%0.5456%0.564SS.*  trans-70.9172.4179.6-58.6-25.5000112.2V481 A485 Y486 W487V481-D483 PolarHBondContact O-N 2.96Å; D483-A485 PolarHBondContact O-N 3.12Å; D483-Y486 WeakPolarHBondContact O-CB 3.43Å; D483-Y486 PolarHBondContact O-N 3.43Å; D483-W487 VanDerWaalsContact O-CD1 3.26Å; D483-W487 PolarHBondContact O-N 2.8Å
484K95Very high91.9Very high157 Ų157107.4 Ų107.468%0.68354%0.544SS*.Hα-helixtrans-50.9-42174.4-176.4172.5-180-75.30112.7Y486 W487 E488K484-Y486 VanDerWaalsContact C-N 3.33Å; K484-Y486 PolarHBondContact O-N 2.94Å; K484-W487 PolarHBondContact O-N 3.14Å; K484-E488 IonicContact NZ-OE1 3.88Å; K484-E488 PolarHBondContact NZ-OE1 3.27Å; K484-E488 WeakPolarHBondContact O-CG 3.33Å; K484-E488 PolarHBondContact O-N 3.12Å
485A94.4Very high92.8Very high70 Ų70106.7 Ų106.758%0.57953%0.531SS*.Hα-helixtrans-63.7-35.5177.800000113.1D483 K489D483-A485 PolarHBondContact O-N 3.12Å; A485-K489 PolarHBondContact O-N 3.2Å; A485-K489 VanDerWaalsContact O-N 3.15Å
486Y96.7Very high93.6Very high66 Ų66100.3 Ų100.326%0.25951%0.51SS..Hα-helixtrans-63.8-46.6174.3170.2-92.5000110.9T477 K482 D483 K484 K489 R490T477-Y486 HydrophobicContact CG2-CD2 4.07Å; T477-Y486 HydrophobicContact CG2-CE2 3.69Å; T477-Y486 WeakPolarHBondContact OG1-CE2 3.47Å; T477-Y486 PolarHBondContact OG1-OH 3.17Å; K482-Y486 HydrophobicContact CB-CD1 4.06Å; K482-Y486 HydrophobicContact CB-CE1 4.4Å; K482-Y486 HydrophobicContact CD-CE1 4.38Å; K482-Y486 HydrophobicContact CG-CD1 4.01Å; K482-Y486 HydrophobicContact CG-CE1 3.9Å; D483-Y486 WeakPolarHBondContact O-CB 3.43Å; D483-Y486 PolarHBondContact O-N 3.43Å; K484-Y486 VanDerWaalsContact C-N 3.33Å; K484-Y486 PolarHBondContact O-N 2.94Å; Y486-K489 PolarHBondContact O-N 3.23Å; Y486-R490 WeakPolarHBondContact O-CB 3.36Å; Y486-R490 PolarHBondContact O-N 3.32Å
487W96.3Very high94.3Very high138 Ų13894 Ų9452%0.52348%0.484SS..Hα-helixtrans-63.7-42.1179.9-70.3112.9000112.8K482 D483 K484 K489 R490 V491K482-W487 HydrophobicContact CB-CZ2 4.42Å; K482-W487 HydrophobicContact CD-CZ2 4.28Å; K482-W487 PolarHBondContact O-NE1 3.39Å; D483-W487 VanDerWaalsContact O-CD1 3.26Å; D483-W487 PolarHBondContact O-N 2.8Å; K484-W487 PolarHBondContact O-N 3.14Å; W487-K489 VanDerWaalsContact C-N 3.33Å; W487-K489 PolarHBondContact O-N 2.87Å; W487-R490 WeakPolarHBondContact O-CB 3.18Å; W487-R490 PolarHBondContact O-N 2.96Å; W487-R490 VanDerWaalsContact O-N 3.15Å; W487-V491 WeakPolarHBondContact O-CG2 3.5Å; W487-V491 PolarHBondContact O-N 3.27Å
488E97.3Very high95Very high86 Ų8698.3 Ų98.340%0.40250%0.495SS..Hα-helixtrans-60-42.8174.3-71.8177.2-164.500111.9K484 R490 V491 K492K484-E488 IonicContact NZ-OE1 3.88Å; K484-E488 PolarHBondContact NZ-OE1 3.27Å; K484-E488 WeakPolarHBondContact O-CG 3.33Å; K484-E488 PolarHBondContact O-N 3.12Å; E488-R490 VanDerWaalsContact C-N 3.33Å; E488-R490 PolarHBondContact O-N 3.26Å; E488-V491 PolarHBondContact O-N 3.18Å; E488-K492 WeakPolarHBondContact O-CB 3.34Å; E488-K492 WeakPolarHBondContact O-CG 3.28Å; E488-K492 PolarHBondContact O-N 2.88Å
489K96.4Very high95.5Very high160 Ų160102.5 Ų102.570%0.69650%0.502SS*.Hα-helixtrans-63.7-39.3175.1-171.6176.6-177.9-179.90111.6A485 Y486 W487 K492 N493A485-K489 PolarHBondContact O-N 3.2Å; A485-K489 VanDerWaalsContact O-N 3.15Å; Y486-K489 PolarHBondContact O-N 3.23Å; W487-K489 VanDerWaalsContact C-N 3.33Å; W487-K489 PolarHBondContact O-N 2.87Å; K489-K492 PolarHBondContact O-N 2.78Å; K489-N493 WeakPolarHBondContact O-CB 3.42Å; K489-N493 PolarHBondContact O-N 2.88Å
490R97.6Very high96Very high103 Ų103102.1 Ų102.139%0.38950%0.5SS..Hα-helixtrans-64.4-42.5178.1-168.371.2-174.782.11.9111.7Y486 W487 E488 N494Y486-R490 WeakPolarHBondContact O-CB 3.36Å; Y486-R490 PolarHBondContact O-N 3.32Å; W487-R490 WeakPolarHBondContact O-CB 3.18Å; W487-R490 PolarHBondContact O-N 2.96Å; W487-R490 VanDerWaalsContact O-N 3.15Å; E488-R490 VanDerWaalsContact C-N 3.33Å; E488-R490 PolarHBondContact O-N 3.26Å; R490-N494 PolarHBondContact NH1-ND2 3.32Å; R490-N494 PolarHBondContact NH1-OD1 2.88Å; R490-N494 PolarHBondContact O-N 2.99Å; R490-N494 PolarHBondContact O-ND2 3.08Å
491V97.9Very high96.6Very high95 Ų95104.2 Ų104.258%0.57650%0.502SS*.Hα-helixtrans-64.3-48.8175.3172.80000110.8W487 E488 N493 N494 E495W487-V491 WeakPolarHBondContact O-CG2 3.5Å; W487-V491 PolarHBondContact O-N 3.27Å; E488-V491 PolarHBondContact O-N 3.18Å; V491-N493 VanDerWaalsContact C-N 3.33Å; V491-N493 PolarHBondContact O-N 3.1Å; V491-N494 WeakPolarHBondContact O-CB 3.24Å; V491-N494 PolarHBondContact O-N 2.7Å; V491-N494 VanDerWaalsContact O-N 3.15Å; V491-E495 PolarHBondContact O-N 3.4Å
492K98.1Very high97.2Very high139 Ų139107.8 Ų107.860%0.60451%0.506SS*.Hα-helixtrans-58-42.2176.6-74.3172.6-179.4169.20112.4E488 K489 E495 A496E488-K492 WeakPolarHBondContact O-CB 3.34Å; E488-K492 WeakPolarHBondContact O-CG 3.28Å; E488-K492 PolarHBondContact O-N 2.88Å; K489-K492 PolarHBondContact O-N 2.78Å; K492-E495 PolarHBondContact O-N 3.36Å; K492-A496 WeakPolarHBondContact O-CB 3.41Å; K492-A496 PolarHBondContact O-N 3.1Å
493N98.4Very high97.5Very high98 Ų98106.7 Ų106.752%0.52451%0.513SS..Hα-helixtrans-66.6-39.8176.4178-98.7000112.5K489 V491 E495 A496 A497K489-N493 WeakPolarHBondContact O-CB 3.42Å; K489-N493 PolarHBondContact O-N 2.88Å; V491-N493 VanDerWaalsContact C-N 3.33Å; V491-N493 PolarHBondContact O-N 3.1Å; N493-E495 VanDerWaalsContact C-N 3.34Å; N493-A496 PolarHBondContact O-N 3.41Å; N493-A497 VanDerWaalsContact O-CB 3.24Å; N493-A497 WeakPolarHBondContact O-CB 3.38Å; N493-A497 PolarHBondContact O-N 3.34Å
494N98.5Very high97.6Very high74 Ų74109.7 Ų109.740%0.39652%0.517SS..Hα-helixtrans-62.8-41.2174.7-79.6-26.1000112R490 V491 A497 R498R490-N494 PolarHBondContact NH1-ND2 3.32Å; R490-N494 PolarHBondContact NH1-OD1 2.88Å; R490-N494 PolarHBondContact O-N 2.99Å; R490-N494 PolarHBondContact O-ND2 3.08Å; V491-N494 WeakPolarHBondContact O-CB 3.24Å; V491-N494 PolarHBondContact O-N 2.7Å; V491-N494 VanDerWaalsContact O-N 3.15Å; N494-A497 PolarHBondContact O-N 3.39Å; N494-R498 WeakPolarHBondContact O-CB 3.29Å; N494-R498 PolarHBondContact O-N 2.87Å
495E98.4Very high97.8Very high93 Ų93109.2 Ų109.244%0.43552%0.515SS..Hα-helixtrans-65.4-46.7175.6-164.5-160.7145.600111.4V491 K492 N493 A497 R498 R499V491-E495 PolarHBondContact O-N 3.4Å; K492-E495 PolarHBondContact O-N 3.36Å; N493-E495 VanDerWaalsContact C-N 3.34Å; E495-A497 VanDerWaalsContact C-N 3.33Å; E495-A497 PolarHBondContact O-N 3.15Å; E495-R498 WeakPolarHBondContact O-CB 3.33Å; E495-R498 PolarHBondContact O-N 2.98Å; E495-R499 PolarHBondContact O-N 3.17Å; E495-R499 IonicContact OE1-CZ 3.83Å; E495-R499 IonicContact OE1-NH1 3.84Å; E495-R499 PolarHBondContact OE1-NH1 3.43Å; E495-R499 IonicContact OE1-NH2 2.93Å
496A98Very high98Very high52 Ų52110.2 Ų110.243%0.4351%0.514SS..Hα-helixtrans-60-42.2175.700000111.9K492 N493 R499 S500K492-A496 WeakPolarHBondContact O-CB 3.41Å; K492-A496 PolarHBondContact O-N 3.1Å; N493-A496 PolarHBondContact O-N 3.41Å; A496-R499 PolarHBondContact O-N 3.35Å; A496-S500 VanDerWaalsContact O-CB 3.31Å; A496-S500 WeakPolarHBondContact O-CB 3.48Å; A496-S500 PolarHBondContact O-N 3.38Å
497A98.5Very high98Very high35 Ų35113.8 Ų113.829%0.28953%0.53SS..Hα-helixtrans-63.8-40.3175.400000111.6N493 N494 E495 S500 R501N493-A497 VanDerWaalsContact O-CB 3.24Å; N493-A497 WeakPolarHBondContact O-CB 3.38Å; N493-A497 PolarHBondContact O-N 3.34Å; N494-A497 PolarHBondContact O-N 3.39Å; E495-A497 VanDerWaalsContact C-N 3.33Å; E495-A497 PolarHBondContact O-N 3.15Å; A497-S500 PolarHBondContact O-N 2.86Å; A497-R501 WeakPolarHBondContact O-CB 3.39Å; A497-R501 VanDerWaalsContact O-CG 3.26Å; A497-R501 WeakPolarHBondContact O-CG 3.44Å; A497-R501 PolarHBondContact O-N 3.35Å
498R98.5Very high98.1Very high138 Ų138111.9 Ų111.952%0.52153%0.527SS..Hα-helixtrans-63.8-45.1174.5-169.5-174.3-63.9143.5-4.7111.5N494 E495 R501 R502N494-R498 WeakPolarHBondContact O-CB 3.29Å; N494-R498 PolarHBondContact O-N 2.87Å; E495-R498 WeakPolarHBondContact O-CB 3.33Å; E495-R498 PolarHBondContact O-N 2.98Å; R498-R501 PolarHBondContact O-N 3.41Å; R498-R502 WeakPolarHBondContact O-CG 3.45Å; R498-R502 PolarHBondContact O-N 2.81Å
499R98.1Very high98.1Very high156 Ų156112.5 Ų112.559%0.58953%0.533SS*.Hα-helixtrans-62.2-45.6176.1-176.1178.9-93.2100.7-6.4111.2E495 A496 R501 R502 A503E495-R499 PolarHBondContact O-N 3.17Å; E495-R499 IonicContact OE1-CZ 3.83Å; E495-R499 IonicContact OE1-NH1 3.84Å; E495-R499 PolarHBondContact OE1-NH1 3.43Å; E495-R499 IonicContact OE1-NH2 2.93Å; A496-R499 PolarHBondContact O-N 3.35Å; R499-R501 PolarHBondContact O-N 3.21Å; R499-R502 PolarHBondContact O-N 3.37Å; R499-A503 WeakPolarHBondContact O-CB 3.44Å; R499-A503 PolarHBondContact O-N 3.46Å
500S98.6Very high98.2Very high78 Ų78106.9 Ų106.955%0.54551%0.514SS..Hα-helixtrans-59.9-44.6176.3177.50000112.2A496 A497 R502 A503 R504A496-S500 VanDerWaalsContact O-CB 3.31Å; A496-S500 WeakPolarHBondContact O-CB 3.48Å; A496-S500 PolarHBondContact O-N 3.38Å; A497-S500 PolarHBondContact O-N 2.86Å; S500-R502 PolarHBondContact O-N 3.48Å; S500-A503 PolarHBondContact O-N 3.33Å; S500-R504 PolarHBondContact O-N 2.95Å
501R98.7Very high98.2Very high184 Ų184106.6 Ų106.669%0.69452%0.52SS*.Hα-helixtrans-61-43.5174.6-73.8172.6-178.2-176.5-0.4112.1A497 R498 R499 R504 K505A497-R501 WeakPolarHBondContact O-CB 3.39Å; A497-R501 VanDerWaalsContact O-CG 3.26Å; A497-R501 WeakPolarHBondContact O-CG 3.44Å; A497-R501 PolarHBondContact O-N 3.35Å; R498-R501 PolarHBondContact O-N 3.41Å; R499-R501 PolarHBondContact O-N 3.21Å; R501-R504 PolarHBondContact O-N 3.47Å; R501-K505 WeakPolarHBondContact O-CG 3.44Å; R501-K505 PolarHBondContact O-N 3.02Å
502R98.5Very high98.2Very high155 Ų155108.5 Ų108.559%0.58552%0.52SS*.Hα-helixtrans-65.4-43177.3-73.9177180148.1-7.1112.4R498 R499 S500 K505 T506R498-R502 WeakPolarHBondContact O-CG 3.45Å; R498-R502 PolarHBondContact O-N 2.81Å; R499-R502 PolarHBondContact O-N 3.37Å; S500-R502 PolarHBondContact O-N 3.48Å; R502-K505 PolarHBondContact O-N 3.21Å; R502-T506 WeakPolarHBondContact O-CB 3.5Å; R502-T506 PolarHBondContact O-N 3.42Å; R502-T506 PolarHBondContact O-OG1 2.87Å
503A98.4Very high98.2Very high62 Ų62108.3 Ų108.351%0.51252%0.519SS..Hα-helixtrans-60.8-45.2176.200000111.2R499 S500 T506 K507R499-A503 WeakPolarHBondContact O-CB 3.44Å; R499-A503 PolarHBondContact O-N 3.46Å; S500-A503 PolarHBondContact O-N 3.33Å; A503-T506 PolarHBondContact O-N 2.94Å; A503-K507 WeakPolarHBondContact O-CB 3.46Å; A503-K507 PolarHBondContact O-N 2.87Å
504R98.3Very high98.2Very high165 Ų165109.4 Ų109.462%0.62352%0.517SS*.Hα-helixtrans-59-50.6173.9-177.3-176.3-74.6-170.8-5.7111.6S500 R501 T506 K507 E508S500-R504 PolarHBondContact O-N 2.95Å; R501-R504 PolarHBondContact O-N 3.47Å; R504-T506 VanDerWaalsContact C-N 3.3Å; R504-T506 PolarHBondContact O-N 2.82Å; R504-K507 WeakPolarHBondContact O-CB 3.43Å; R504-K507 PolarHBondContact O-N 3.32Å; R504-K507 VanDerWaalsContact O-N 3.15Å; R504-E508 VanDerWaalsContact CD-OE1 3.28Å; R504-E508 WeakPolarHBondContact CD-OE1 3.5Å; R504-E508 HydrophobicContact CG-CG 4.38Å; R504-E508 WeakPolarHBondContact CG-OE1 3.45Å; R504-E508 WeakPolarHBondContact O-CG 3.46Å; R504-E508 PolarHBondContact O-N 3.18Å
505K98.3Very high98.2Very high147 Ų147107.8 Ų107.864%0.63951%0.514SS*.Hα-helixtrans-58.5-40.3178.5-74.9-177.3177.5-162.70113R501 R502 E508 L509R501-K505 WeakPolarHBondContact O-CG 3.44Å; R501-K505 PolarHBondContact O-N 3.02Å; R502-K505 PolarHBondContact O-N 3.21Å; K505-E508 PolarHBondContact O-N 3.33Å; K505-L509 WeakPolarHBondContact O-CB 3.41Å; K505-L509 PolarHBondContact O-N 3.48Å
506T98.1Very high98.2Very high91 Ų91106.6 Ų106.656%0.55851%0.51SS*.Hα-helixtrans-65.3-42.5177.9-53.50000110.6R502 A503 R504 L509 S510R502-T506 WeakPolarHBondContact O-CB 3.5Å; R502-T506 PolarHBondContact O-N 3.42Å; R502-T506 PolarHBondContact O-OG1 2.87Å; A503-T506 PolarHBondContact O-N 2.94Å; R504-T506 VanDerWaalsContact C-N 3.3Å; R504-T506 PolarHBondContact O-N 2.82Å; T506-L509 PolarHBondContact O-N 3.42Å; T506-S510 PolarHBondContact O-N 3.15Å; T506-S510 PolarHBondContact O-OG 3.05Å
507K98Very high98.2Very high140 Ų140108 Ų10861%0.60951%0.511SS*.Hα-helixtrans-63.7-41.7174.7-176.7175.9-179.5174.60112.5A503 R504 L509 S510 L511A503-K507 WeakPolarHBondContact O-CB 3.46Å; A503-K507 PolarHBondContact O-N 2.87Å; R504-K507 WeakPolarHBondContact O-CB 3.43Å; R504-K507 PolarHBondContact O-N 3.32Å; R504-K507 VanDerWaalsContact O-N 3.15Å; K507-L509 VanDerWaalsContact C-N 3.34Å; K507-S510 WeakPolarHBondContact CA-OG 3.26Å; K507-S510 PolarHBondContact O-N 3.07Å; K507-S510 PolarHBondContact O-OG 3.03Å; K507-L511 HydrophobicContact CG-CD1 4.18Å; K507-L511 WeakPolarHBondContact O-CB 3.4Å; K507-L511 VanDerWaalsContact O-CG 3.29Å; K507-L511 WeakPolarHBondContact O-CG 3.15Å; K507-L511 PolarHBondContact O-N 3.25Å
508E98Very high98.2Very high98 Ų98111 Ų11146%0.45852%0.521SS..Hα-helixtrans-62.6-42.4175.1-72.1164.2-179.200111R504 K505 L511 K512R504-E508 VanDerWaalsContact CD-OE1 3.28Å; R504-E508 WeakPolarHBondContact CD-OE1 3.5Å; R504-E508 HydrophobicContact CG-CG 4.38Å; R504-E508 WeakPolarHBondContact CG-OE1 3.45Å; R504-E508 WeakPolarHBondContact O-CG 3.46Å; R504-E508 PolarHBondContact O-N 3.18Å; K505-E508 PolarHBondContact O-N 3.33Å; E508-L511 PolarHBondContact O-N 2.98Å; E508-K512 WeakPolarHBondContact O-CB 3.49Å; E508-K512 PolarHBondContact O-N 3.47Å
509L98.2Very high98.2Very high99 Ų99110.2 Ų110.252%0.51852%0.524SS..Hα-helixtrans-63.7-43.3175.3-170.590.2000112.2K505 T506 K507 K512 K513K505-L509 WeakPolarHBondContact O-CB 3.41Å; K505-L509 PolarHBondContact O-N 3.48Å; T506-L509 PolarHBondContact O-N 3.42Å; K507-L509 VanDerWaalsContact C-N 3.34Å; L509-K512 PolarHBondContact O-N 3.18Å; L509-K513 WeakPolarHBondContact O-CG 3.42Å; L509-K513 PolarHBondContact O-N 2.9Å
510S97.7Very high98.2Very high42 Ų42109.2 Ų109.229%0.29452%0.524SS..Hα-helixtrans-65.3-40.8178.466.70000111.4T506 K507 K513 Y514T506-S510 PolarHBondContact O-N 3.15Å; T506-S510 PolarHBondContact O-OG 3.05Å; K507-S510 WeakPolarHBondContact CA-OG 3.26Å; K507-S510 PolarHBondContact O-N 3.07Å; K507-S510 PolarHBondContact O-OG 3.03Å; S510-K513 PolarHBondContact O-N 3.39Å; S510-Y514 WeakPolarHBondContact O-CB 3.23Å; S510-Y514 PolarHBondContact O-N 3.17Å
511L97.7Very high98.2Very high98 Ų98108.1 Ų108.151%0.51351%0.514SS..Hα-helixtrans-63.1-41.5174.1-74.7170.1000111.7K507 E508 Y514 A515K507-L511 HydrophobicContact CG-CD1 4.18Å; K507-L511 WeakPolarHBondContact O-CB 3.4Å; K507-L511 VanDerWaalsContact O-CG 3.29Å; K507-L511 WeakPolarHBondContact O-CG 3.15Å; K507-L511 PolarHBondContact O-N 3.25Å; E508-L511 PolarHBondContact O-N 2.98Å; L511-Y514 PolarHBondContact O-N 3.43Å; L511-A515 WeakPolarHBondContact O-CB 3.28Å; L511-A515 PolarHBondContact O-N 2.94Å
512K98.2Very high98.1Very high135 Ų135103.6 Ų103.659%0.58750%0.503SS*.Hα-helixtrans-59.9-50.5175.1-176.5176-180178.10111.4E508 L509 Y514 A515 D516E508-K512 WeakPolarHBondContact O-CB 3.49Å; E508-K512 PolarHBondContact O-N 3.47Å; L509-K512 PolarHBondContact O-N 3.18Å; K512-Y514 VanDerWaalsContact C-N 3.27Å; K512-Y514 PolarHBondContact O-N 2.94Å; K512-A515 PolarHBondContact O-N 3.49Å; K512-A515 VanDerWaalsContact O-N 3.17Å; K512-D516 PolarHBondContact O-N 2.8Å
513K98.3Very high98.1Very high134 Ų134101.9 Ų101.958%0.58351%0.505SS*.Hα-helixtrans-58.4-40.1176.8-72.3-178.3177.7-1710112.5L509 S510 N517L509-K513 WeakPolarHBondContact O-CG 3.42Å; L509-K513 PolarHBondContact O-N 2.9Å; S510-K513 PolarHBondContact O-N 3.39Å; K513-N517 WeakPolarHBondContact O-CB 3.49Å; K513-N517 PolarHBondContact O-N 3.15Å
514Y97.7Very high98.1Very high121 Ų121105.8 Ų105.848%0.47551%0.51SS..Hα-helixtrans-64.1-45.2176.9178.1-98.3000111.6S510 L511 K512 N517 L518S510-Y514 WeakPolarHBondContact O-CB 3.23Å; S510-Y514 PolarHBondContact O-N 3.17Å; L511-Y514 PolarHBondContact O-N 3.43Å; K512-Y514 VanDerWaalsContact C-N 3.27Å; K512-Y514 PolarHBondContact O-N 2.94Å; Y514-N517 PolarHBondContact O-N 3.37Å; Y514-L518 HydrophobicContact CE1-CD2 4.47Å; Y514-L518 WeakPolarHBondContact O-CB 3.29Å; Y514-L518 PolarHBondContact O-N 3.34Å
515A98.4Very high98.1Very high41 Ų41102 Ų10234%0.33950%0.502SS..Hα-helixtrans-60.6-48.1175.200000111.6L511 K512 N517 L518 E519L511-A515 WeakPolarHBondContact O-CB 3.28Å; L511-A515 PolarHBondContact O-N 2.94Å; K512-A515 PolarHBondContact O-N 3.49Å; K512-A515 VanDerWaalsContact O-N 3.17Å; A515-N517 VanDerWaalsContact C-N 3.27Å; A515-N517 PolarHBondContact O-N 2.67Å; A515-L518 PolarHBondContact O-N 3.28Å; A515-L518 VanDerWaalsContact O-N 3.11Å; A515-E519 WeakPolarHBondContact O-CG 3.45Å; A515-E519 PolarHBondContact O-N 3.49Å
516D98.4Very high98.1Very high67 Ų6798.5 Ų98.536%0.35849%0.49SS..Hα-helixtrans-58.2-39.2177.3-60.9-17000111.6K512 K520K512-D516 PolarHBondContact O-N 2.8Å; D516-K520 WeakPolarHBondContact O-CG 3.43Å; D516-K520 PolarHBondContact O-N 3.02Å; D516-K520 VanDerWaalsContact O-N 3.15Å
517N98.4Very high98.1Very high83 Ų83100.2 Ų100.244%0.44449%0.491SS..Hα-helixtrans-69-42.2176.4-174.556.8000112K513 Y514 A515 E519 K520 V521K513-N517 WeakPolarHBondContact O-CB 3.49Å; K513-N517 PolarHBondContact O-N 3.15Å; Y514-N517 PolarHBondContact O-N 3.37Å; A515-N517 VanDerWaalsContact C-N 3.27Å; A515-N517 PolarHBondContact O-N 2.67Å; N517-E519 VanDerWaalsContact C-N 3.32Å; N517-E519 PolarHBondContact O-N 2.97Å; N517-K520 PolarHBondContact O-N 3.07Å; N517-V521 WeakPolarHBondContact O-CG2 3.34Å; N517-V521 PolarHBondContact O-N 3.05Å
518L98.2Very high98.1Very high96 Ų9698.9 Ų98.950%0.50349%0.487SS..Hα-helixtrans-63-40.4178.1-171.865.1000111.2Y514 A515 V521 N522Y514-L518 HydrophobicContact CE1-CD2 4.47Å; Y514-L518 WeakPolarHBondContact O-CB 3.29Å; Y514-L518 PolarHBondContact O-N 3.34Å; A515-L518 PolarHBondContact O-N 3.28Å; A515-L518 VanDerWaalsContact O-N 3.11Å; L518-V521 PolarHBondContact O-N 3.09Å; L518-N522 VanDerWaalsContact O-CB 3.24Å; L518-N522 WeakPolarHBondContact O-CB 3.28Å; L518-N522 PolarHBondContact O-N 3.42Å
519E98.2Very high98.1Very high122 Ų12298.2 Ų98.257%0.5749%0.486SS*.Hα-helixtrans-61.4-45.7173.8-72.9176.5-173.300111.7A515 N517 V521 N522 L523A515-E519 WeakPolarHBondContact O-CG 3.45Å; A515-E519 PolarHBondContact O-N 3.49Å; N517-E519 VanDerWaalsContact C-N 3.32Å; N517-E519 PolarHBondContact O-N 2.97Å; E519-V521 PolarHBondContact O-N 3.49Å; E519-N522 PolarHBondContact O-N 3.41Å; E519-L523 WeakPolarHBondContact O-CB 3.4Å; E519-L523 WeakPolarHBondContact O-CG 3.46Å; E519-L523 PolarHBondContact O-N 2.92Å
520K98.2Very high98.1Very high135 Ų13596.6 Ų96.659%0.58748%0.478SS*.Hα-helixtrans-60.5-45175.9-74.2173.5-1771800112.7D516 N517 K524D516-K520 WeakPolarHBondContact O-CG 3.43Å; D516-K520 PolarHBondContact O-N 3.02Å; D516-K520 VanDerWaalsContact O-N 3.15Å; N517-K520 PolarHBondContact O-N 3.07Å; K520-K524 WeakPolarHBondContact O-CG 3.12Å; K520-K524 PolarHBondContact O-N 2.82Å; K520-K524 VanDerWaalsContact O-N 3.14Å
521V98.1Very high98.1Very high56 Ų5699.5 Ų99.534%0.33949%0.49SS..Hα-helixtrans-66.4-42.8178.6172.70000110.5N517 L518 E519 L523 K524 L525N517-V521 WeakPolarHBondContact O-CG2 3.34Å; N517-V521 PolarHBondContact O-N 3.05Å; L518-V521 PolarHBondContact O-N 3.09Å; E519-V521 PolarHBondContact O-N 3.49Å; V521-L523 PolarHBondContact O-N 3.49Å; V521-K524 PolarHBondContact O-N 2.97Å; V521-L525 HydrophobicContact CG1-CD1 4.02Å; V521-L525 HydrophobicContact CG1-CG 4.38Å; V521-L525 WeakPolarHBondContact O-CG 3.44Å; V521-L525 PolarHBondContact O-N 2.93Å
522N97.7Very high98.1Very high89 Ų8998.8 Ų98.848%0.47649%0.486SS..Hα-helixtrans-60.6-44.8177-169.810.4000111.6L518 E519 K524 L525 I526L518-N522 VanDerWaalsContact O-CB 3.24Å; L518-N522 WeakPolarHBondContact O-CB 3.28Å; L518-N522 PolarHBondContact O-N 3.42Å; E519-N522 PolarHBondContact O-N 3.41Å; N522-K524 VanDerWaalsContact C-N 3.34Å; N522-K524 PolarHBondContact O-N 3.43Å; N522-L525 PolarHBondContact O-N 3.39Å; N522-I526 VanDerWaalsContact O-CG1 3.28Å; N522-I526 WeakPolarHBondContact O-CG1 3.19Å; N522-I526 PolarHBondContact O-N 3.46Å
523L98.2Very high98.1Very high118 Ų11897.7 Ų97.762%0.61848%0.481SS*.Hα-helixtrans-58.1-44.6175.1-74.5170.5000112.3E519 V521 L525 I526 E527E519-L523 WeakPolarHBondContact O-CB 3.4Å; E519-L523 WeakPolarHBondContact O-CG 3.46Å; E519-L523 PolarHBondContact O-N 2.92Å; V521-L523 PolarHBondContact O-N 3.49Å; L523-L525 PolarHBondContact O-N 3.41Å; L523-I526 PolarHBondContact O-N 3.15Å; L523-E527 PolarHBondContact O-N 2.65Å
524K98.2Very high98Very high145 Ų14597.3 Ų97.363%0.6348%0.481SS*.Hα-helixtrans-62-41.9175.8-72.5-179.7177.6-171.80112.5K520 V521 N522 I526 E527 E528K520-K524 WeakPolarHBondContact O-CG 3.12Å; K520-K524 PolarHBondContact O-N 2.82Å; K520-K524 VanDerWaalsContact O-N 3.14Å; V521-K524 PolarHBondContact O-N 2.97Å; N522-K524 VanDerWaalsContact C-N 3.34Å; N522-K524 PolarHBondContact O-N 3.43Å; K524-I526 VanDerWaalsContact C-N 3.35Å; K524-E527 PolarHBondContact O-N 3.03Å; K524-E528 PolarHBondContact O-N 2.71Å
525L98.2Very high98Very high84 Ų8496.8 Ų96.844%0.4448%0.483SS..Hα-helixtrans-66.3-38.2177.8-70.7172.1000111.7V521 N522 L523 E528 I529V521-L525 HydrophobicContact CG1-CD1 4.02Å; V521-L525 HydrophobicContact CG1-CG 4.38Å; V521-L525 WeakPolarHBondContact O-CG 3.44Å; V521-L525 PolarHBondContact O-N 2.93Å; N522-L525 PolarHBondContact O-N 3.39Å; L523-L525 PolarHBondContact O-N 3.41Å; L525-E528 PolarHBondContact O-N 3.39Å; L525-I529 WeakPolarHBondContact O-CB 3.46Å; L525-I529 WeakPolarHBondContact O-CD1 3.26Å; L525-I529 WeakPolarHBondContact O-CG1 3.42Å; L525-I529 PolarHBondContact O-N 3.3Å
526I98.3Very high97.9Very high75 Ų7599 Ų9939%0.38549%0.488SS..Hα-helixtrans-62.6-45.2174.8-69.2164.7000110.3N522 L523 K524 I529 D530N522-I526 VanDerWaalsContact O-CG1 3.28Å; N522-I526 WeakPolarHBondContact O-CG1 3.19Å; N522-I526 PolarHBondContact O-N 3.46Å; L523-I526 PolarHBondContact O-N 3.15Å; K524-I526 VanDerWaalsContact C-N 3.35Å; I526-I529 PolarHBondContact O-N 3.05Å; I526-D530 WeakPolarHBondContact O-CB 3.31Å; I526-D530 PolarHBondContact O-N 3.42Å
527E98.1Very high97.8Very high127 Ų127101.4 Ų101.459%0.59350%0.5SS*.Hα-helixtrans-59-47.2175.7-177.4178.5-16200111.9L523 K524 I529 D530 L531L523-E527 PolarHBondContact O-N 2.65Å; K524-E527 PolarHBondContact O-N 3.03Å; E527-I529 PolarHBondContact O-N 2.71Å; E527-D530 PolarHBondContact O-N 3.35Å; E527-L531 WeakPolarHBondContact O-CG 3.48Å; E527-L531 PolarHBondContact O-N 3.05Å
528E97.9Very high97.7Very high111 Ų111103.3 Ų103.352%0.51951%0.507SS..Hα-helixtrans-61.6-44.4176.7-175.5177.2-177.900112K524 L525 D530 L531 L532K524-E528 PolarHBondContact O-N 2.71Å; L525-E528 PolarHBondContact O-N 3.39Å; E528-D530 VanDerWaalsContact C-N 3.29Å; E528-D530 PolarHBondContact O-N 3.49Å; E528-L531 PolarHBondContact O-N 3.11Å; E528-L532 HydrophobicContact CG-CD1 4.17Å; E528-L532 WeakPolarHBondContact O-CB 3.44Å; E528-L532 WeakPolarHBondContact O-CG 3.11Å; E528-L532 PolarHBondContact O-N 3.28Å
529I98Very high97.6Very high85 Ų85103 Ų10344%0.43651%0.505SS..Hα-helixtrans-59.9-41.7175.8-74.9167.8000110.7L525 I526 E527 L532 K533L525-I529 WeakPolarHBondContact O-CB 3.46Å; L525-I529 WeakPolarHBondContact O-CD1 3.26Å; L525-I529 WeakPolarHBondContact O-CG1 3.42Å; L525-I529 PolarHBondContact O-N 3.3Å; I526-I529 PolarHBondContact O-N 3.05Å; E527-I529 PolarHBondContact O-N 2.71Å; I529-L532 PolarHBondContact O-N 3.15Å; I529-K533 HydrophobicContact CG2-CD 4.08Å; I529-K533 HydrophobicContact CG2-CG 4.39Å; I529-K533 WeakPolarHBondContact O-CB 3.3Å; I529-K533 VanDerWaalsContact O-CG 3.22Å; I529-K533 WeakPolarHBondContact O-CG 3.48Å; I529-K533 PolarHBondContact O-N 3.18Å
530D97.9Very high97.5Very high65 Ų65103.1 Ų103.135%0.34850%0.504SS..Hα-helixtrans-71.8-36.7-178.7-75.1-12.7000112.2I526 E527 E528 K533 Q534I526-D530 WeakPolarHBondContact O-CB 3.31Å; I526-D530 PolarHBondContact O-N 3.42Å; E527-D530 PolarHBondContact O-N 3.35Å; E528-D530 VanDerWaalsContact C-N 3.29Å; E528-D530 PolarHBondContact O-N 3.49Å; D530-K533 PolarHBondContact O-N 3.06Å; D530-K533 IonicContact OD1-NZ 2.71Å; D530-K533 PolarHBondContact OD1-NZ 3.05Å; D530-Q534 VanDerWaalsContact O-CG 3.28Å; D530-Q534 WeakPolarHBondContact O-CG 3.36Å; D530-Q534 PolarHBondContact O-N 3.46Å
531L97.7Very high97.3Very high103 Ų10399 Ų9954%0.53950%0.495SS..Hα-helixtrans-60.8-48.4170.1-71.3173.2000111.7E527 E528 K533 Q534 E535E527-L531 WeakPolarHBondContact O-CG 3.48Å; E527-L531 PolarHBondContact O-N 3.05Å; E528-L531 PolarHBondContact O-N 3.11Å; L531-K533 VanDerWaalsContact C-N 3.34Å; L531-K533 PolarHBondContact O-N 3.25Å; L531-Q534 WeakPolarHBondContact O-CB 3.33Å; L531-Q534 PolarHBondContact O-N 2.9Å; L531-Q534 VanDerWaalsContact O-N 3.15Å; L531-E535 PolarHBondContact O-N 3.24Å
532L97.7Very high97.1Very high83 Ų83100.4 Ų100.444%0.43550%0.498SS..Hα-helixtrans-64.3-37.7178.2-70.6172.8000112.1E528 I529 Q534 E535 I536E528-L532 HydrophobicContact CG-CD1 4.17Å; E528-L532 WeakPolarHBondContact O-CB 3.44Å; E528-L532 WeakPolarHBondContact O-CG 3.11Å; E528-L532 PolarHBondContact O-N 3.28Å; I529-L532 PolarHBondContact O-N 3.15Å; L532-Q534 VanDerWaalsContact C-N 3.34Å; L532-E535 PolarHBondContact O-N 3.46Å; L532-I536 WeakPolarHBondContact O-CB 3.49Å; L532-I536 VanDerWaalsContact O-CG1 3.25Å; L532-I536 WeakPolarHBondContact O-CG1 3.37Å; L532-I536 PolarHBondContact O-N 3.09Å
533K97.9Very high96.9Very high112 Ų112102 Ų10249%0.48750%0.5SS..Hα-helixtrans-61.8-42.3173-77.7171.8-169.9156.40111.5I529 D530 L531 I536 L537I529-K533 HydrophobicContact CG2-CD 4.08Å; I529-K533 HydrophobicContact CG2-CG 4.39Å; I529-K533 WeakPolarHBondContact O-CB 3.3Å; I529-K533 VanDerWaalsContact O-CG 3.22Å; I529-K533 WeakPolarHBondContact O-CG 3.48Å; I529-K533 PolarHBondContact O-N 3.18Å; D530-K533 PolarHBondContact O-N 3.06Å; D530-K533 IonicContact OD1-NZ 2.71Å; D530-K533 PolarHBondContact OD1-NZ 3.05Å; L531-K533 VanDerWaalsContact C-N 3.34Å; L531-K533 PolarHBondContact O-N 3.25Å; K533-I536 PolarHBondContact O-N 3.14Å; K533-L537 WeakPolarHBondContact O-CB 3.24Å; K533-L537 VanDerWaalsContact O-CG 3.28Å; K533-L537 WeakPolarHBondContact O-CG 3.01Å; K533-L537 PolarHBondContact O-N 3Å
534Q97.4Very high96.7Very high125 Ų125100.8 Ų100.858%0.58449%0.494SS*.Hα-helixtrans-62.5-43.2176.8-72.2172.122.200111.2D530 L531 L532 L537 H538D530-Q534 VanDerWaalsContact O-CG 3.28Å; D530-Q534 WeakPolarHBondContact O-CG 3.36Å; D530-Q534 PolarHBondContact O-N 3.46Å; L531-Q534 WeakPolarHBondContact O-CB 3.33Å; L531-Q534 PolarHBondContact O-N 2.9Å; L531-Q534 VanDerWaalsContact O-N 3.15Å; L532-Q534 VanDerWaalsContact C-N 3.34Å; Q534-L537 PolarHBondContact O-N 3.46Å; Q534-H538 PolarHBondContact O-N 3.13Å
535E97Very high96.4Very high111 Ų111101.2 Ų101.252%0.51950%0.496SS..Hα-helixtrans-61.8-46.5175-174.7177.5-174.700111.8L531 L532 L537 H538 L539L531-E535 PolarHBondContact O-N 3.24Å; L532-E535 PolarHBondContact O-N 3.46Å; E535-L537 VanDerWaalsContact C-N 3.29Å; E535-L537 PolarHBondContact O-N 3.45Å; E535-H538 WeakPolarHBondContact O-CB 3.43Å; E535-H538 PolarHBondContact O-N 3.34Å; E535-L539 HydrophobicContact CG-CD1 4.06Å; E535-L539 HydrophobicContact CG-CG 4.46Å; E535-L539 WeakPolarHBondContact O-CG 3.39Å; E535-L539 PolarHBondContact O-N 2.97Å
536I97.2Very high96Very high87 Ų87103 Ų10345%0.44650%0.502SS..Hα-helixtrans-59.5-40.9175.6-71167000111.1L532 K533 K540L532-I536 WeakPolarHBondContact O-CB 3.49Å; L532-I536 VanDerWaalsContact O-CG1 3.25Å; L532-I536 WeakPolarHBondContact O-CG1 3.37Å; L532-I536 PolarHBondContact O-N 3.09Å; K533-I536 PolarHBondContact O-N 3.14Å; I536-K540 HydrophobicContact CG2-CD 3.85Å; I536-K540 HydrophobicContact CG2-CG 4.33Å; I536-K540 VanDerWaalsContact O-CB 3.25Å; I536-K540 WeakPolarHBondContact O-CB 3.43Å; I536-K540 WeakPolarHBondContact O-CG 3.38Å; I536-K540 PolarHBondContact O-N 3.22Å
537L96.2Very high95.4Very high117 Ų117106.6 Ų106.661%0.61352%0.515SS*.Hα-helixtrans-65-43.2176.7-75.3173.1000111.5K533 Q534 E535 K540 A541K533-L537 WeakPolarHBondContact O-CB 3.24Å; K533-L537 VanDerWaalsContact O-CG 3.28Å; K533-L537 WeakPolarHBondContact O-CG 3.01Å; K533-L537 PolarHBondContact O-N 3Å; Q534-L537 PolarHBondContact O-N 3.46Å; E535-L537 VanDerWaalsContact C-N 3.29Å; E535-L537 PolarHBondContact O-N 3.45Å; L537-K540 PolarHBondContact O-N 3.39Å; L537-A541 WeakPolarHBondContact O-CB 3.44Å; L537-A541 PolarHBondContact O-N 3.27Å
538H95.6Very high94.5Very high124 Ų124108 Ų10857%0.57453%0.526SS*.Hα-helixtrans-59.4-52.8175.8-179.3-88.9000111.4Q534 E535 K540 A541 E542Q534-H538 PolarHBondContact O-N 3.13Å; E535-H538 WeakPolarHBondContact O-CB 3.43Å; E535-H538 PolarHBondContact O-N 3.34Å; H538-K540 VanDerWaalsContact C-N 3.34Å; H538-K540 PolarHBondContact O-N 3.19Å; H538-A541 WeakPolarHBondContact O-CB 3.48Å; H538-A541 PolarHBondContact O-N 2.94Å; H538-A541 VanDerWaalsContact O-N 3.11Å; H538-E542 IonicContact CE1-OE2 2.86Å; H538-E542 PolarHBondContact O-N 3Å
539L95.9Very high93.1Very high88 Ų88110.7 Ų110.746%0.46155%0.55SS.*Hα-helixtrans-63.9-36.1179.7-67.8173.8000112.6E535 E542 K543E535-L539 HydrophobicContact CG-CD1 4.06Å; E535-L539 HydrophobicContact CG-CG 4.46Å; E535-L539 WeakPolarHBondContact O-CG 3.39Å; E535-L539 PolarHBondContact O-N 2.97Å; L539-E542 PolarHBondContact O-N 2.96Å; L539-K543 VanDerWaalsContact O-CB 3.3Å; L539-K543 WeakPolarHBondContact O-CB 3.49Å; L539-K543 PolarHBondContact O-N 3.29Å
540K95.6Very high92.9Very high126 Ų126112 Ų11255%0.54856%0.556SS.*Hα-helixtrans-64.8-40.6173.2-79.8176178.1176.80111.7I536 L537 H538 N544I536-K540 HydrophobicContact CG2-CD 3.85Å; I536-K540 HydrophobicContact CG2-CG 4.33Å; I536-K540 VanDerWaalsContact O-CB 3.25Å; I536-K540 WeakPolarHBondContact O-CB 3.43Å; I536-K540 WeakPolarHBondContact O-CG 3.38Å; I536-K540 PolarHBondContact O-N 3.22Å; L537-K540 PolarHBondContact O-N 3.39Å; H538-K540 VanDerWaalsContact C-N 3.34Å; H538-K540 PolarHBondContact O-N 3.19Å; K540-N544 WeakPolarHBondContact O-CB 3.45Å; K540-N544 PolarHBondContact O-N 3.34Å; K540-N544 PolarHBondContact O-ND2 3.01Å
541A94.4Very high92.6Very high48 Ų48114.5 Ų114.540%0.39757%0.567SS.*Hα-helixtrans-66-41.717700000111.5L537 H538 N544 K545L537-A541 WeakPolarHBondContact O-CB 3.44Å; L537-A541 PolarHBondContact O-N 3.27Å; H538-A541 WeakPolarHBondContact O-CB 3.48Å; H538-A541 PolarHBondContact O-N 2.94Å; H538-A541 VanDerWaalsContact O-N 3.11Å; A541-N544 PolarHBondContact O-N 2.85Å; A541-K545 WeakPolarHBondContact O-CG 3.08Å; A541-K545 PolarHBondContact O-N 3.27Å; A541-K545 VanDerWaalsContact O-N 3.09Å
542E93.7Very high92.3Very high86 Ų86115.1 Ų115.140%0.40257%0.568SS.*Hα-helixtrans-62-52.1175.1-174.4170.4-162.300111.9H538 L539 N544 K545 E546H538-E542 IonicContact CE1-OE2 2.86Å; H538-E542 PolarHBondContact O-N 3Å; L539-E542 PolarHBondContact O-N 2.96Å; E542-N544 PolarHBondContact O-N 2.98Å; E542-K545 WeakPolarHBondContact O-CA 3.17Å; E542-K545 WeakPolarHBondContact O-CB 3.35Å; E542-K545 PolarHBondContact O-N 3.18Å; E542-E546 PolarHBondContact O-N 3.26Å
543K94.1Very high92Very high123 Ų123117 Ų11754%0.53558%0.576SS.*Hα-helixtrans-58.5-33.5176.3-176.7173.3-175.9167.10113.2L539 K547L539-K543 VanDerWaalsContact O-CB 3.3Å; L539-K543 WeakPolarHBondContact O-CB 3.49Å; L539-K543 PolarHBondContact O-N 3.29Å; K543-K547 WeakPolarHBondContact O-CG 3.32Å; K543-K547 PolarHBondContact O-N 3.49Å
544N92.9Very high91.6Very high91 Ų91117.3 Ų117.349%0.48758%0.582SS.*Hα-helixtrans-71.7-35.1175.6-73.3-19.3000111.7K540 A541 E542 K547 L548K540-N544 WeakPolarHBondContact O-CB 3.45Å; K540-N544 PolarHBondContact O-N 3.34Å; K540-N544 PolarHBondContact O-ND2 3.01Å; A541-N544 PolarHBondContact O-N 2.85Å; E542-N544 PolarHBondContact O-N 2.98Å; N544-K547 PolarHBondContact O-N 3.46Å; N544-L548 WeakPolarHBondContact O-CD1 3.4Å; N544-L548 PolarHBondContact O-N 3.3Å
545K92Very high91.3Very high154 Ų154116.8 Ų116.867%0.6758%0.582SS**Hα-helixtrans-64.3-44.1173.5-69.7170.8-177.5178.20111.5A541 E542 K547 L548 T549A541-K545 WeakPolarHBondContact O-CG 3.08Å; A541-K545 PolarHBondContact O-N 3.27Å; A541-K545 VanDerWaalsContact O-N 3.09Å; E542-K545 WeakPolarHBondContact O-CA 3.17Å; E542-K545 WeakPolarHBondContact O-CB 3.35Å; E542-K545 PolarHBondContact O-N 3.18Å; K545-K547 PolarHBondContact O-N 3.2Å; K545-L548 PolarHBondContact O-N 3.21Å; K545-T549 PolarHBondContact O-N 3.35Å
546E89.7Confident90.9Very high123 Ų123117.2 Ų117.258%0.57559%0.586SS**Hα-helixtrans-62.2-28.1177.2-67.3178166.800113.5E542 L548 T549E542-E546 PolarHBondContact O-N 3.26Å; E546-L548 VanDerWaalsContact C-N 3.34Å; E546-T549 PolarHBondContact O-OG1 3.49Å; E546-T549 VanDerWaalsContact O-OXT 3.11Å
547K87.3Confident90.4Very high149 Ų149119.5 Ų119.565%0.64860%0.597SS**Hα-helixtrans-78.4-18.4175.5-75.4179.1176.4-170.80113.8K543 N544 K545K543-K547 WeakPolarHBondContact O-CG 3.32Å; K543-K547 PolarHBondContact O-N 3.49Å; N544-K547 PolarHBondContact O-N 3.46Å; K545-K547 PolarHBondContact O-N 3.2Å
548L79.6Confident89.9Confident157 Ų157119.8 Ų119.882%0.82260%0.596SS**Hα-helixtrans-91.8-16.4177.7-90.193000112.8N544 K545 E546N544-L548 WeakPolarHBondContact O-CD1 3.4Å; N544-L548 PolarHBondContact O-N 3.3Å; K545-L548 PolarHBondContact O-N 3.21Å; E546-L548 VanDerWaalsContact C-N 3.34Å
549T67.8Low89.4Confident168 Ų168119.4 Ų119.4100%1.03160%0.598SS**  trans-90.10170.555.20000110.7K545 E546K545-T549 PolarHBondContact O-N 3.35Å; E546-T549 PolarHBondContact O-OG1 3.49Å; E546-T549 VanDerWaalsContact O-OXT 3.11Å

Retrieved 549 of 549 residues in 486.8 ms (Link to these results)