A0A5K4FDW9_SCHMA Loading...

TIMELESS-interacting protein

Plays an important role in the control of DNA replication and the maintenance of replication fork stability.

AlphaFold DB , UniProt , Accession A0A5K4FDW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 461 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
1M48.6Very low61.7Low231 Ų231153.1 Ų153.1100%1.13881%0.805SS**  0103.40-173.4164.5162.600104.8
2L55.9Low61.2Low141 Ų141153.7 Ų153.774%0.73881%0.809SS**  trans69.299168.1-55.7168000116.6
3D59.1Low60.7Low130 Ų130152.7 Ų152.770%0.69581%0.805SS**  33.4123.4119-45.2-47.6000117.9
4D72Confident60Low159 Ų159156.3 Ų156.385%0.8580%0.804SS**  176.6123.7115.3-82.2-36.5000109
5D65.5Low60Low178 Ų178152.9 Ų152.995%0.95279%0.794SS**  trans-67.4127.1-177.9-69.4-68000111.6
6D72.3Confident59.6Low156 Ų156153.6 Ų153.683%0.83480%0.799SS**  trans-117.8146.2174.7-16111.8000111.3
7V58.7Low59.4Low115 Ų115153.2 Ų153.270%0.69780%0.797SS**  trans-63.1133.5-163.4173.20000113.1
8S65.6Low59Low95 Ų95153.2 Ų153.266%0.66480%0.799SS**  trans-133.699.4161.7167.40000109.4K10S8-K10 PolarHBondContact O-N 3.2Å
9D57.3Low58.7Low151 Ų151151.5 Ų151.581%0.80780%0.796SS**  trans-54.9115.5165.7-65.1-46000110.7
10K64.4Low58.1Low162 Ų162148.6 Ų148.670%0.70479%0.788SS**  trans-145.3127.8164.3-80-168.8-179.7154.20111.1S8S8-K10 PolarHBondContact O-N 3.2Å
11E59.5Low57.7Low166 Ų166147.8 Ų147.878%0.77679%0.789SS**  trans76.680.1144.6-63.1168.1-159.200116.9D13E11-D13 PolarHBondContact O-N 3.04Å
12N55.6Low57.8Low160 Ų160144.9 Ų144.986%0.85677%0.773SS**  trans-80.896.9144.3-89.712.6000108.4Y14N12-Y14 PolarHBondContact O-N 3.49Å
13D53.9Low57.7Low141 Ų141145.7 Ų145.775%0.75478%0.777SS**  trans-80.597.5164.5-164.916.2000107.7E11E11-D13 PolarHBondContact O-N 3.04Å
14Y51.5Low57.5Low203 Ų203145 Ų14580%0.79678%0.78SS**  trans-115.4112.3164.7-99.8-87.4000108.1N12 D16N12-Y14 PolarHBondContact O-N 3.49Å; Y14-D16 PolarHBondContact O-N 3.42Å
15T59.5Low56.2Low106 Ų106143.2 Ų143.265%0.6578%0.78SS**  trans-71.2103.8176.239.70000109.3L17T15-L17 PolarHBondContact O-N 3.36Å
16D54.8Low55.6Low164 Ų164140 Ų14088%0.87777%0.771SS**  trans-71.295.9163.1-88.1-29.9000108.5Y14 D18Y14-D16 PolarHBondContact O-N 3.42Å; D16-D18 PolarHBondContact O-N 2.85Å; D16-D18 VanDerWaalsContact O-N 3.1Å
17L56.3Low54.8Low146 Ų146140.4 Ų140.476%0.76477%0.772SS**  trans-74.692.7168.5-83.6164.1000109.4T15 T19T15-L17 PolarHBondContact O-N 3.36Å; L17-T19 VanDerWaalsContact C-N 3.34Å; L17-T19 PolarHBondContact O-N 2.93Å; L17-T19 PolarHBondContact O-OG1 3.01Å
18D52.1Low55Low154 Ų154139.6 Ų139.682%0.82477%0.768SS**  trans-60.891.3164.5-150.73000109.2D16 S20D16-D18 PolarHBondContact O-N 2.85Å; D16-D18 VanDerWaalsContact O-N 3.1Å; D18-S20 PolarHBondContact O-N 3.5Å
19T51.8Low54.6Low121 Ų121140.9 Ų140.974%0.74277%0.774SS**  trans-96.974.5172.615.10000109.4L17 T21L17-T19 VanDerWaalsContact C-N 3.34Å; L17-T19 PolarHBondContact O-N 2.93Å; L17-T19 PolarHBondContact O-OG1 3.01Å; T19-T21 PolarHBondContact O-N 2.94Å
20S47.5Very low54.4Low92 Ų92141.6 Ų141.664%0.64378%0.777SS**  trans-61.299.1162.9-174.70000109.4D18 H22D18-S20 PolarHBondContact O-N 3.5Å; S20-H22 PolarHBondContact O-N 2.93Å
21T49.5Very low53.6Low133 Ų133142.3 Ų142.382%0.81678%0.782SS**  trans-86.186.3166.923.50000108.6T19 L23T19-T21 PolarHBondContact O-N 2.94Å; T21-L23 PolarHBondContact O-N 3.2Å
22H50.3Low53Low170 Ų170139.5 Ų139.579%0.78778%0.781SS**  trans-55.1112.9159.4-113.2-87.2000109S20S20-H22 PolarHBondContact O-N 2.93Å
23L53.8Low52.5Low157 Ų157138.1 Ų138.182%0.82278%0.779SS**  trans-88.6133.6160.2-77.3172.9000109T21 S25T21-L23 PolarHBondContact O-N 3.2Å; L23-S25 PolarHBondContact O-N 2.81Å
24P54.9Low52.1Low117 Ų117143.2 Ų143.276%0.7679%0.787SS**  trans-74.5123.3-172.128.9-33000111.2S26P24-S26 PolarHBondContact O-N 3.45Å
25S46.1Very low52.2Low121 Ų121141 Ų14185%0.84679%0.788SS**  trans-74.9105158.165.80000108.9L23L23-S25 PolarHBondContact O-N 2.81Å
26S51.2Low52Low110 Ų110141.5 Ų141.577%0.76979%0.793SS**  trans-171.796152.2-143.60000109.5P24P24-S26 PolarHBondContact O-N 3.45Å
27I57Low51.4Low165 Ų165145.5 Ų145.585%0.84680%0.795SS**  trans-110.6119.6157.5-62.3175.7000105.2
28P63.3Low51.1Low97 Ų97142 Ų14263%0.6380%0.795SS**  trans-71148.5179.929.7-33.7000110.8I30P28-I30 PolarHBondContact O-N 2.81Å
29P55.4Low51Low122 Ų122142.2 Ų142.279%0.79279%0.791SS**  trans-70.7130.5172.628.7-28.9000109.3E31P29-E31 PolarHBondContact O-N 3.4Å
30I54.2Low50.7Low167 Ų167144.1 Ų144.186%0.85679%0.792SS**  trans-78.6101.8170.2-57.7171.8000106.9P28P28-I30 PolarHBondContact O-N 2.81Å
31E46.5Very low50.8Low176 Ų176145.7 Ų145.782%0.82280%0.803SS**  trans-74.7156.9159.6-109.8-179.9159.900110.1P29P29-E31 PolarHBondContact O-N 3.4Å
32S48Very low50.5Low107 Ų107145.2 Ų145.275%0.74881%0.805SS**  trans101.9123.7175.8-52.20000112.9
33T45.1Very low50.7Low132 Ų132142.3 Ų142.381%0.8180%0.804SS**  cis-164.11369.480000106.9
34R45.8Very low50.5Low247 Ų247138.8 Ų138.893%0.93279%0.792SS**PPolyproline II helixtrans-73.7123175.5-167.3-177.9-150.5173.64.9108.9
35I53.6Low50.3Low157 Ų157139.8 Ų139.881%0.80579%0.791SS**PPolyproline II helixtrans-92.6131.8168.8-60.7177.2000108.2
36P54.1Low50.6Low116 Ų116140.3 Ų140.375%0.75379%0.785SS**PPolyproline II helixtrans-83144.9-176.419-7.2000112.8
37R42.2Very low50.5Low248 Ų248141.7 Ų141.794%0.93678%0.783SS**PPolyproline II helixtrans-73.3129.1164.5-89.7176.3162.4159.3-5.6109.2
38G50.8Low50.1Low74 Ų74141.9 Ų141.976%0.76379%0.786SS**  trans-105.5122.2165.600000110.1
39E50.7Low49.4Very low158 Ų158145.1 Ų145.174%0.73879%0.793SS**  trans-53.8134.4166.451.6-132.213400113.3
40E44.2Very low49Very low160 Ų160151.3 Ų151.375%0.74880%0.8SS**  93.9120.3102.975.5-167.915200114.4
41S49.3Very low48.5Very low126 Ų126153.6 Ų153.688%0.88180%0.798SS**  trans176.8128.2140.2-77.50000110.4
42S44Very low48.5Very low123 Ų123153.3 Ų153.386%0.8680%0.801SS**  trans-89.5153-178.580.20000111.6
43S53.6Low48.3Very low108 Ų108155.5 Ų155.576%0.75580%0.804SS**  trans-171.697.8161.5176.90000106
44S50.8Low48.3Very low83 Ų83159.6 Ų159.658%0.5881%0.807SS**  78.2116.58076.70000112.6
45D49.7Very low48.2Very low139 Ų139156.3 Ų156.374%0.74380%0.802SS**  trans65.1136.7138-53.2-14.7000117.1
46D53.2Low47.8Very low132 Ų132153.2 Ų153.271%0.70679%0.794SS**  cis-164.4154.65.5-89.4-37000107.7
47D49.3Very low47.6Very low138 Ų138152.9 Ų152.974%0.73880%0.795SS**  trans10.1133.4150-57.6-45.3000121.7
48D48.3Very low47.7Very low170 Ų170150.4 Ų150.491%0.90979%0.794SS**  -175.9131.9112.2-100.4-32.1000113.1
49E47.9Very low47.5Very low164 Ų164155.6 Ų155.677%0.76680%0.798SS**  trans-69.2143.5-179.2-63.4-151.5155.700114.3
50R48.7Very low47.3Very low252 Ų252156.9 Ų156.995%0.95180%0.804SS**  trans-154107.6141.5-111178.4-137.9-114.34112
51R43.4Very low47.5Very low216 Ų216154.2 Ų154.282%0.81580%0.803SS**  trans-62132.3164.6-71170.6147.7-140.2-5.5111.4
52L46.6Very low47.2Very low169 Ų169156.3 Ų156.389%0.88580%0.804SS**  trans-143.2111.7147.3-74.9-179.1000109.2
53N42Very low47.6Very low153 Ų153155.8 Ų155.882%0.81880%0.801SS**  trans-69.2134.4162-74.52.1000108.3
54Y45.3Very low46.9Very low218 Ų218154.5 Ų154.586%0.85580%0.804SS**  trans-126.7108.4162.6-136.1-96.7000108.5S56Y54-S56 WeakPolarHBondContact CD1-OG 3.43Å; Y54-S56 WeakPolarHBondContact CE1-OG 3.43Å
55E44.4Very low47.1Very low179 Ų179157.2 Ų157.284%0.83682%0.817SS**  trans-100.6128.9169.7-169.4150.5-17200106
56S46Very low46.8Very low91 Ų91157.5 Ų157.564%0.63682%0.824SS**  trans-135.588.2177.1-75.80000109.5Y54Y54-S56 WeakPolarHBondContact CD1-OG 3.43Å; Y54-S56 WeakPolarHBondContact CE1-OG 3.43Å
57S49.2Very low46.8Very low110 Ų110154.7 Ų154.777%0.76983%0.826SS**  34.1108.7121.6-38.50000117.9
58E43.9Very low46.6Very low196 Ų196155.7 Ų155.792%0.91683%0.831SS**  trans-66134156.2-58.7179151.200110
59Q46.2Very low46.5Very low182 Ų182156.5 Ų156.585%0.8583%0.83SS**  trans-122.2103.4165.6-102.9-175.7-14.300108.8
60E46.3Very low46.6Very low186 Ų186152.7 Ų152.787%0.86983%0.827SS**  trans-72.6133.5156.9-66.7-170.714500108.9
61S50.2Low46.7Very low103 Ų103149 Ų14972%0.7282%0.82SS**  trans-137.696.6169.6-71.50000108.3
62N42Very low47Very low170 Ų170143.2 Ų143.291%0.90981%0.813SS**  trans-107.7103.7163.5-85.3-36000107.7
63S52.2Low47Very low113 Ų113142 Ų14279%0.7981%0.805SS**  trans-103.1119.7172.358.50000110
64G39.9Very low47.5Very low80 Ų80139.9 Ų139.983%0.82580%0.798SS**  trans-73.6144.316800000111.7
65V55.4Low47.6Very low141 Ų141136.3 Ų136.386%0.85579%0.794SS**  trans-127.1115165.8160.20000107.4
66T42.3Very low47.7Very low145 Ų145134.3 Ų134.389%0.8979%0.789SS**  trans-98.6133.1162.249.60000107.5
67G53.8Low47.9Very low72 Ų72137.7 Ų137.774%0.74280%0.8SS**  trans-160.8101.5173.900000109.4
68D44.8Very low48Very low159 Ų159136.2 Ų136.285%0.8579%0.79SS**  trans-61.3151.7164.1-61.6-57.5000110.4
69E47.1Very low48.2Very low187 Ų187134.5 Ų134.587%0.87479%0.787SS**  trans165.197.8137.5-78.8-111.8138.300110
70A48.2Very low48.1Very low85 Ų85132.5 Ų132.570%0.70278%0.782SS**  46.8125.4118.800000121.4
71E51.8Low48Very low174 Ų174128.3 Ų128.381%0.81377%0.773SS**  trans105.9121.8132.8-64.4-97.3158.900120.5
72S49.4Very low48Very low95 Ų95131 Ų13166%0.66477%0.774SS**  trans84.9140.5139.989.20000117
73I46.2Very low47.8Very low142 Ų142127.2 Ų127.273%0.72877%0.766SS**  cis-170138.95.7-117.5168.1000107.5
74V53.6Low47.4Very low109 Ų109134 Ų13466%0.66178%0.775SS**  trans51.1127.1147.4-50.70000124.4
75N47Very low47.4Very low143 Ų143139.1 Ų139.177%0.76577%0.774SS**  165.299.5110.3-77-35.2000107.3
76D46.2Very low46.5Very low138 Ų138139.5 Ų139.574%0.73877%0.771SS**  67.19980.3-152.12.7000112.2
77D51.4Low46.5Very low161 Ų161144.5 Ų144.586%0.86177%0.774SS**  -161.5145.4125.1-140.4-20.5000111.9
78S49.4Very low46.1Very low80 Ų80152.2 Ų152.256%0.55978%0.781SS**  trans-98.4164.7-154.6-67.60000114.5
79N48.3Very low46.1Very low160 Ų160155 Ų15586%0.85678%0.779SS**  trans67.5116.4152.9-66.2-27.8000119.1
80D45.3Very low45.7Very low139 Ų139154.4 Ų154.474%0.74378%0.776SS**  177130.589.5-172.822.7000110.8
81S43.9Very low45.7Very low98 Ų98157.6 Ų157.669%0.68578%0.781SS**  trans-102.283-16951.80000110.7
82H50.2Low45.4Very low161 Ų161155.7 Ų155.775%0.74578%0.777SS**  trans-149.1118.8164.8-83.2-66.8000114
83A38.4Very low45.4Very low90 Ų90159 Ų15974%0.74479%0.786SS**  trans47.293.3140.400000118.1
84R42.6Very low45.4Very low256 Ų256161.9 Ų161.997%0.96679%0.793SS**  trans-11465.5150.8-71.7-173.5177.9173.71.6110.8
85K40.9Very low45.2Very low186 Ų186168.3 Ų168.381%0.80981%0.806SS**  trans-74.3141.5149.2-79.8178.3176.31730107.8
86N36.8Very low45.3Very low149 Ų149168.4 Ų168.480%0.79781%0.807SS**  trans68.4101.1164-57.9-14.1000117.1
87R42.4Very low45.4Very low250 Ų250168.2 Ų168.294%0.94381%0.813SS**  trans-179.369146.7-99.5158.4-172.4169.24111.5
88R43.8Very low45.1Very low235 Ų235169.1 Ų169.189%0.88781%0.809SS**SBendtrans-133.982.2153.5-88.2-168177.5-179.60.1110.2
89R45.7Very low45.1Very low218 Ų218176.9 Ų176.982%0.82383%0.826SS**  trans56.876.6141.9-59.7-174176.7111.10.2116.5
90E38.8Very low44.8Very low174 Ų174180.3 Ų180.381%0.81383%0.827SS**  trans-76.8103.7151.9-163167-153.900107.1
91N48Very low44.4Very low151 Ų151178 Ų17881%0.80783%0.827SS**  trans-113.457.7167.3-86-5.9000107.4
92D46.1Very low44.5Very low135 Ų135184 Ų18472%0.72284%0.836SS**  trans-113145165.5-78.5-48000107.2
93L48.1Very low44.4Very low165 Ų165180 Ų18086%0.86483%0.826SS**SBendtrans92.686.4179.5-49.6167.5000116.4
94K47.2Very low44.7Very low201 Ų201181.7 Ų181.787%0.87483%0.83SS**  151.890.5126.6-85.5159.7178.5172.10109.8
95R49Very low45Very low244 Ų244176.2 Ų176.292%0.92182%0.82SS**  trans-150.9125.5152.3-103.6171.2-170.1110.3-0.6108.2
96D49.6Very low44.8Very low146 Ų146176.3 Ų176.378%0.78182%0.823SS**  trans-54.3148-162.2-60.6-87.5000117.8
97P46.7Very low45.3Very low133 Ų133176.5 Ų176.586%0.86482%0.822SS**  trans-112.877.9149.936.5-22.7000109.1
98K46.7Very low45.2Very low181 Ų181172.1 Ų172.179%0.78781%0.81SS**  trans-132130.8161-87.1-175.1178.3176.60108.4
99R48.4Very low44.9Very low242 Ų242168.4 Ų168.491%0.91380%0.803SS**  trans92.896.4174.8-53.3171.7-179.2-102.60.4114.3
100R42Very low44.8Very low232 Ų232161.6 Ų161.688%0.87580%0.801SS**  173.6104.484.8-170.9170.4-99.2171.9-8.4108.7
101A36.5Very low44.7Very low90 Ų90162.3 Ų162.374%0.74480%0.804SS**  trans-68.6142.2162.800000109.7
102Y46.8Very low44.7Very low226 Ų226162.7 Ų162.789%0.88681%0.806SS**  trans171.8129.4156.6-95-73.7000105.3
103S48.5Very low44.3Very low76 Ų76161.3 Ų161.353%0.53180%0.802SS.*  cis-171.3127.6-8.71510000104.9N105S103-N105 PolarHBondContact OG-OD1 3.06Å
104P44Very low44.1Very low126 Ų126159.6 Ų159.682%0.81879%0.794SS**  trans-86.5114.3160.7-13.830.6000108.8E106P104-E106 PolarHBondContact O-N 3.44Å; P104-E106 VanDerWaalsContact O-N 3.16Å
105N48.2Very low44Very low141 Ų141157.9 Ų157.975%0.75480%0.795SS**  trans-73.6101.7170.4-82-10.2000109.2S103S103-N105 PolarHBondContact OG-OD1 3.06Å
106E37.7Very low43.5Very low187 Ų187154.5 Ų154.587%0.87479%0.789SS**  trans-91.3112.2152-71.6-162.3168.500108.7P104P104-E106 PolarHBondContact O-N 3.44Å; P104-E106 VanDerWaalsContact O-N 3.16Å
107I48.3Very low43.3Very low153 Ų153156.6 Ų156.679%0.78579%0.794SS**  trans-154.8132.8166.4-57.8-178.9000102.9
108F39.3Very low43Very low159 Ų159157.8 Ų157.870%0.69779%0.788SS**  cis-175.1141-5.7171.4-101000103.2
109E38.4Very low42.9Very low156 Ų156157.1 Ų157.173%0.72979%0.79SS**  trans21127.4152.3-52.1-178-179.600120.3
110G42.2Very low42.8Very low76 Ų76150.6 Ų150.678%0.78478%0.779SS**  trans-175.170.6168.100000112.3N112G110-N112 PolarHBondContact O-N 2.95Å
111H38.2Very low42.5Very low188 Ų188145.6 Ų145.687%0.8778%0.779SS**  trans-55.9123.4165.4-73.9-83.4000110.2
112N46.3Very low42.6Very low159 Ų159144.5 Ų144.585%0.8578%0.777SS**  trans-147.2110.9145.2-153.6-0.9000111.1G110G110-N112 PolarHBondContact O-N 2.95Å
113T38.3Very low42.7Very low106 Ų106138.2 Ų138.265%0.6577%0.771SS**  trans-77.5157.1171.247.50000110.5
114N43.1Very low42.7Very low129 Ų129141.9 Ų141.969%0.6979%0.785SS**  trans86.7101.4173.5-62.9-15.4000116
115N45.4Very low43.2Very low165 Ų165143 Ų14388%0.88279%0.785SS**  -153.4122.297.3-96.5-20.3000111
116Q39.5Very low43.7Very low173 Ų173143.4 Ų143.481%0.80879%0.786SS**  trans-70.1125.3170-62168-10.300107.7
117H45.5Very low44.9Very low190 Ų190139.1 Ų139.188%0.8878%0.783SS**  trans-143.1129.9152.6-156.581.3000109.7
118E40.1Very low45.7Very low158 Ų158136.6 Ų136.674%0.73878%0.775SS**  trans-87.6135.6-160.9-71.2-176.9159.500112.6
119M45Very low47.3Very low168 Ų168134.4 Ų134.483%0.82877%0.77SS**  trans67.3161.8140.1-57.4-61.7-79.400119.3
120P45.3Very low49.2Very low105 Ų105133.8 Ų133.868%0.68277%0.771SS**  cis-133159.8-14.127.6-5.9000115.1
121S36.8Very low51.1Low126 Ų126135.9 Ų135.988%0.88176%0.764SS**  trans59.5112.8134.3-162.40000121.3
122G37.2Very low53.2Low67 Ų67130.8 Ų130.869%0.69175%0.745SS**  trans102.990.4139.900000116.8
123A50Low54.8Low94 Ų94128 Ų12878%0.77773%0.73SS**  trans-171.564161.700000111.3D125A123-D125 PolarHBondContact O-N 3.07Å
124D48.4Very low57.1Low153 Ų153126.9 Ų126.982%0.81872%0.718SS**  trans-87.479.617111.4-44000108.2
125D54.6Low59.1Low151 Ų151127.2 Ų127.281%0.80771%0.713SS**  trans-151.410.1-179.9-106.5-19.4000117.4A123A123-D125 PolarHBondContact O-N 3.07Å
126D58.2Low60.9Low148 Ų148124.2 Ų124.279%0.79170%0.696SS**  trans-122.744.7-178.3-69.6-48.3000114.4V128D126-V128 WeakPolarHBondContact O-CG2 3.49Å; D126-V128 PolarHBondContact O-N 3.16Å
127A63.1Low63Low98 Ų98122.9 Ų122.981%0.8168%0.684SS**  trans-71.379.2163.700000109.4D129A127-D129 PolarHBondContact O-N 2.76Å
128V64.8Low64.7Low100 Ų100120 Ų12061%0.60667%0.669SS**  trans-58.4107.8171.5-1550000107.2D126 I130 L133D126-V128 WeakPolarHBondContact O-CG2 3.49Å; D126-V128 PolarHBondContact O-N 3.16Å; V128-I130 PolarHBondContact O-N 3.41Å; V128-L133 HydrophobicContact CG1-CD1 3.84Å; V128-L133 HydrophobicContact CG1-CG 4.44Å
129D72.7Confident66.5Low112 Ų112117.4 Ų117.460%0.59966%0.659SS**  trans-56.2102.2-179.1-97.9-35.1000109.8A127 D131 V132 L133A127-D129 PolarHBondContact O-N 2.76Å; D129-D131 PolarHBondContact O-N 2.86Å; D129-D131 VanDerWaalsContact O-N 3.12Å; D129-V132 HydrophobicContact CB-CB 3.88Å; D129-V132 HydrophobicContact CB-CG2 3.56Å; D129-V132 WeakPolarHBondContact O-CB 3.22Å; D129-V132 PolarHBondContact O-N 2.93Å; D129-L133 PolarHBondContact O-N 3.35Å; D129-L133 VanDerWaalsContact O-N 3.17Å
130I78.7Confident67.9Low144 Ų144112.6 Ų112.674%0.73864%0.641SS**Hα-helixtrans-54.5-33.3178.4-61.6164000109.7V128 L133 E134V128-I130 PolarHBondContact O-N 3.41Å; I130-L133 PolarHBondContact O-N 3.42Å; I130-E134 PolarHBondContact O-N 3.47Å
131D81.2Confident68.9Low120 Ų120113.9 Ų113.964%0.64264%0.637SS**Hα-helixtrans-69.6-34.5177.6-161.440.5000112.8D129 E134 K135D129-D131 PolarHBondContact O-N 2.86Å; D129-D131 VanDerWaalsContact O-N 3.12Å; D131-E134 PolarHBondContact O-N 3.26Å; D131-K135 VanDerWaalsContact O-CB 3.31Å; D131-K135 WeakPolarHBondContact O-CB 3.39Å; D131-K135 PolarHBondContact O-N 3.35Å
132V82.3Confident70.2Confident80 Ų80119.1 Ų119.149%0.48564%0.637SS.*Hα-helixtrans-69.4-40.3175.2175.20000110.7D129 K135 L136D129-V132 HydrophobicContact CB-CB 3.88Å; D129-V132 HydrophobicContact CB-CG2 3.56Å; D129-V132 WeakPolarHBondContact O-CB 3.22Å; D129-V132 PolarHBondContact O-N 2.93Å; V132-K135 PolarHBondContact O-N 3.34Å; V132-L136 HydrophobicContact CG1-CD1 4.23Å; V132-L136 WeakPolarHBondContact O-CG 3.43Å; V132-L136 PolarHBondContact O-N 2.97Å
133L81.5Confident71.4Confident101 Ų101119.3 Ų119.353%0.52963%0.632SS.*Hα-helixtrans-63.9-43.5174.6-75.9169.4000112V128 D129 I130 K135 L136 R137V128-L133 HydrophobicContact CG1-CD1 3.84Å; V128-L133 HydrophobicContact CG1-CG 4.44Å; D129-L133 PolarHBondContact O-N 3.35Å; D129-L133 VanDerWaalsContact O-N 3.17Å; I130-L133 PolarHBondContact O-N 3.42Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.07Å; L133-L136 PolarHBondContact O-N 3.12Å; L133-R137 WeakPolarHBondContact O-CB 3.49Å; L133-R137 PolarHBondContact O-N 2.88Å
134E85Confident72Confident83 Ų83118 Ų11839%0.38862%0.621SS.*Hα-helixtrans-64.9-36.6176.8-172.260.4-149.600111.3I130 D131 R137 K138I130-E134 PolarHBondContact O-N 3.47Å; D131-E134 PolarHBondContact O-N 3.26Å; E134-R137 PolarHBondContact O-N 3.23Å; E134-K138 PolarHBondContact O-N 3.2Å
135K86.4Confident72.8Confident136 Ų136120 Ų12059%0.59162%0.622SS**Hα-helixtrans-68.2-42.1175.9-154.2158.1-173171.80112.1D131 V132 L133 R137 K138 I139D131-K135 VanDerWaalsContact O-CB 3.31Å; D131-K135 WeakPolarHBondContact O-CB 3.39Å; D131-K135 PolarHBondContact O-N 3.35Å; V132-K135 PolarHBondContact O-N 3.34Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.07Å; K135-R137 VanDerWaalsContact C-N 3.35Å; K135-K138 PolarHBondContact O-N 3.47Å; K135-I139 WeakPolarHBondContact O-CD1 3.43Å; K135-I139 VanDerWaalsContact O-CG1 3.26Å; K135-I139 WeakPolarHBondContact O-CG1 3.4Å; K135-I139 PolarHBondContact O-N 2.73Å
136L81.9Confident73.4Confident101 Ų101124 Ų12453%0.52963%0.627SS.*Hα-helixtrans-64.3-38.2172.7-75.4169.2000112V132 L133 I139 S140V132-L136 HydrophobicContact CG1-CD1 4.23Å; V132-L136 WeakPolarHBondContact O-CG 3.43Å; V132-L136 PolarHBondContact O-N 2.97Å; L133-L136 PolarHBondContact O-N 3.12Å; L136-I139 PolarHBondContact O-N 2.75Å; L136-S140 WeakPolarHBondContact O-CB 3.32Å; L136-S140 PolarHBondContact O-N 3.27Å; L136-S140 PolarHBondContact O-OG 3.39Å
137R84.4Confident74.1Confident145 Ų145122.9 Ų122.955%0.54762%0.624SS.*Hα-helixtrans-65.1-37.9174.3-169.2176170.592.7-3.4111.8L133 E134 K135 S140 K141L133-R137 WeakPolarHBondContact O-CB 3.49Å; L133-R137 PolarHBondContact O-N 2.88Å; E134-R137 PolarHBondContact O-N 3.23Å; K135-R137 VanDerWaalsContact C-N 3.35Å; R137-S140 WeakPolarHBondContact CA-OG 3.4Å; R137-S140 PolarHBondContact O-OG 3.2Å; R137-K141 WeakPolarHBondContact O-CB 3.46Å; R137-K141 VanDerWaalsContact O-CG 3.23Å; R137-K141 WeakPolarHBondContact O-CG 3.38Å; R137-K141 PolarHBondContact O-N 3.33Å
138K80.9Confident74.5Confident131 Ų131123.4 Ų123.457%0.5762%0.618SS**Hα-helixtrans-67.9-39.5173.1-83.5171.6179.6166.30112.8E134 K135 R142E134-K138 PolarHBondContact O-N 3.2Å; K135-K138 PolarHBondContact O-N 3.47Å; K138-R142 PolarHBondContact O-N 2.77Å
139I78.1Confident74.8Confident103 Ų103127.7 Ų127.753%0.52863%0.628SS.*Hα-helixtrans-68.9-44.7178-64.9161.9000110.5K135 L136 K141 R142 A143K135-I139 WeakPolarHBondContact O-CD1 3.43Å; K135-I139 VanDerWaalsContact O-CG1 3.26Å; K135-I139 WeakPolarHBondContact O-CG1 3.4Å; K135-I139 PolarHBondContact O-N 2.73Å; L136-I139 PolarHBondContact O-N 2.75Å; I139-K141 PolarHBondContact O-N 3.37Å; I139-R142 CarbonylContact O-C 3.58Å; I139-R142 PolarHBondContact O-N 2.7Å; I139-R142 VanDerWaalsContact O-N 3.14Å; I139-A143 WeakPolarHBondContact O-CB 3.37Å; I139-A143 PolarHBondContact O-N 3.2Å
140S73.9Confident74.6Confident66 Ų66129 Ų12946%0.46264%0.635SS.*Hα-helixtrans-64.6-37.2177.357.10000112.7L136 R137 R142 A143 A144L136-S140 WeakPolarHBondContact O-CB 3.32Å; L136-S140 PolarHBondContact O-N 3.27Å; L136-S140 PolarHBondContact O-OG 3.39Å; R137-S140 WeakPolarHBondContact CA-OG 3.4Å; R137-S140 PolarHBondContact O-OG 3.2Å; S140-R142 VanDerWaalsContact C-N 3.29Å; S140-R142 PolarHBondContact O-N 3.23Å; S140-A143 CarbonylContact O-C 3.49Å; S140-A143 PolarHBondContact O-N 3.31Å; S140-A143 VanDerWaalsContact O-N 3.13Å; S140-A144 PolarHBondContact O-N 3.17Å
141K67.2Low74.3Confident133 Ų133127 Ų12758%0.57863%0.631SS**Hα-helixtrans-63.5-31.3172.3-76.5175.6178.5-177.60113.3R137 I139R137-K141 WeakPolarHBondContact O-CB 3.46Å; R137-K141 VanDerWaalsContact O-CG 3.23Å; R137-K141 WeakPolarHBondContact O-CG 3.38Å; R137-K141 PolarHBondContact O-N 3.33Å; I139-K141 PolarHBondContact O-N 3.37Å
142R62.8Low73.8Confident235 Ų235131.5 Ų131.589%0.88764%0.639SS**Hα-helixtrans-80.5-26.5171-84.3-173.2175.1-168.2-0.3113.3K138 I139 S140K138-R142 PolarHBondContact O-N 2.77Å; I139-R142 CarbonylContact O-C 3.58Å; I139-R142 PolarHBondContact O-N 2.7Å; I139-R142 VanDerWaalsContact O-N 3.14Å; S140-R142 VanDerWaalsContact C-N 3.29Å; S140-R142 PolarHBondContact O-N 3.23Å
143A64Low73.2Confident71 Ų71130.2 Ų130.259%0.58763%0.633SS**Hα-helixtrans-88.4-6.9178.900000114I139 S140 K145I139-A143 WeakPolarHBondContact O-CB 3.37Å; I139-A143 PolarHBondContact O-N 3.2Å; S140-A143 CarbonylContact O-C 3.49Å; S140-A143 PolarHBondContact O-N 3.31Å; S140-A143 VanDerWaalsContact O-N 3.13Å; A143-K145 PolarHBondContact O-N 3.33Å
144A62.5Low73.1Confident67 Ų67132.2 Ų132.255%0.55464%0.637SS**SBendtrans-57.8102.6167.100000108.1S140 R146S140-A144 PolarHBondContact O-N 3.17Å; A144-R146 PolarHBondContact O-N 2.84Å
145K65Low73.2Confident194 Ų194128.6 Ų128.684%0.84362%0.62SS**  trans-42.6118.7179.5-77.5170.1177169.60108.2A143 V147A143-K145 PolarHBondContact O-N 3.33Å; K145-V147 PolarHBondContact O-N 2.9Å
146R67.6Low73.3Confident237 Ų237125.8 Ų125.889%0.89461%0.612SS**  trans-55.2103.5175-67.1-17975.7-172.34.3107.1A144 V148A144-R146 PolarHBondContact O-N 2.84Å; R146-V148 PolarHBondContact O-N 3.43Å
147V71.6Confident73.7Confident123 Ų123121.6 Ų121.675%0.74559%0.591SS**  trans-59.8113.4174.61770000106.1K145 K149K145-V147 PolarHBondContact O-N 2.9Å; V147-K149 PolarHBondContact O-N 2.88Å
148V71.7Confident73.9Confident110 Ų110121.5 Ų121.567%0.66760%0.596SS**  trans-69.2100.3177.1177.90000106.4R146 N150R146-V148 PolarHBondContact O-N 3.43Å; V148-N150 PolarHBondContact O-N 3.45Å
149K70.5Confident74.3Confident189 Ų189119.5 Ų119.582%0.82259%0.585SS**SBendtrans-61.7-32-173.1-65.5-177.6175.3-175.80112.9V147V147-K149 PolarHBondContact O-N 2.88Å
150N69.8Low75Confident141 Ų141115 Ų11575%0.75456%0.562SS**SBendtrans-12989.1-179.3-63.8-11.7000109.2V148 R152V148-N150 PolarHBondContact O-N 3.45Å; N150-R152 PolarHBondContact O-N 2.94Å
151P71.1Confident75.7Confident101 Ų101114 Ų11466%0.65655%0.551SS**  trans-58.213617424.8-32.3000109.2
152R71.7Confident76.8Confident214 Ų214109.2 Ų109.281%0.80854%0.535SS*.  trans-60132.4174.3-67.6-175.1177.4-143.20.1107.7N150 K154N150-R152 PolarHBondContact O-N 2.94Å; R152-K154 PolarHBondContact O-N 3.28Å
153P69.6Low77.9Confident54 Ų54104.3 Ų104.335%0.35153%0.526SS..  trans-60.7111.417524.9-31.7000107.7
154K79.8Confident79.1Confident143 Ų143106.7 Ų106.762%0.62252%0.523SS*.  trans-95.3151.9176.2-69.2178.8-176.2179.90108.6R152 D156R152-K154 PolarHBondContact O-N 3.28Å; K154-D156 PolarHBondContact O-N 3.38Å; K154-D156 VanDerWaalsContact O-N 3.11Å
155L87.1Confident80.5Confident7 Ų7103.5 Ų103.54%0.03750%0.497CS..  trans-74.897164.7-178.265.3000107.9L160 L202 V203 M206 R214 L215 V218L155-L160 HydrophobicContact CD1-CB 4.43Å; L155-L202 HydrophobicContact CD1-CD2 3.51Å; L155-L202 HydrophobicContact CD1-CG 4.09Å; L155-V203 HydrophobicContact CB-CG2 4.48Å; L155-V203 HydrophobicContact CD1-CG2 4.4Å; L155-M206 HydrophobicContact CB-CE 4.32Å; L155-R214 HydrophobicContact CB-CB 4.5Å; L155-R214 HydrophobicContact CD2-CB 4.02Å; L155-L215 HydrophobicContact CD2-CB 4.35Å; L155-L215 HydrophobicContact CD2-CD2 3.63Å; L155-L215 HydrophobicContact CD2-CG 3.59Å; L155-V218 HydrophobicContact CD2-CG2 4.45Å; L155-V218 HydrophobicContact CG-CG2 4.31Å; L155-V218 WeakPolarHBondContact O-CG2 3.49Å
156D88.1Confident81.8Confident77 Ų7795.2 Ų95.241%0.41246%0.462SS..  trans-99.4157.3175-66.1-38.2000110.4K154 Q158 R159 L160K154-D156 PolarHBondContact O-N 3.38Å; K154-D156 VanDerWaalsContact O-N 3.11Å; D156-Q158 VanDerWaalsContact C-N 3.27Å; D156-Q158 PolarHBondContact O-N 3.41Å; D156-R159 WeakPolarHBondContact O-CA 3.24Å; D156-R159 WeakPolarHBondContact O-CB 3.44Å; D156-R159 PolarHBondContact O-N 3.25Å; D156-L160 PolarHBondContact O-N 3.3Å; D156-L160 VanDerWaalsContact O-N 3.08Å
157P89.3Confident82.8Confident13 Ų1384.9 Ų84.98%0.08443%0.425CS..Hα-helixtrans-53.4-44.5178-2735.9000112.9R159 L160 L161 V218 K221 E223 I224P157-R159 VanDerWaalsContact C-N 3.28Å; P157-R159 PolarHBondContact O-N 3.44Å; P157-L160 PolarHBondContact O-N 2.84Å; P157-L160 VanDerWaalsContact O-N 3.11Å; P157-L161 WeakPolarHBondContact O-CG 3.43Å; P157-L161 PolarHBondContact O-N 3.02Å; P157-V218 HydrophobicContact CG-CG1 4.34Å; P157-K221 HydrophobicContact CG-CB 4.49Å; P157-K221 HydrophobicContact CG-CD 3.35Å; P157-E223 HydrophobicContact CB-CB 4.49Å; P157-E223 VanDerWaalsContact CB-OE2 3.3Å; P157-E223 WeakPolarHBondContact CB-OE2 3.4Å; P157-I224 HydrophobicContact CB-CD1 3.83Å; P157-I224 HydrophobicContact CB-CG1 4.1Å; P157-I224 HydrophobicContact CG-CD1 4.23Å
158Q88.9Confident83.7Confident142 Ų14279.4 Ų79.466%0.66439%0.393SS*.Hα-helixtrans-59-38.8176.3-172-179.7-700112D156 L160 L161 S162D156-Q158 VanDerWaalsContact C-N 3.27Å; D156-Q158 PolarHBondContact O-N 3.41Å; Q158-L160 PolarHBondContact O-N 2.84Å; Q158-L161 PolarHBondContact O-N 3.13Å; Q158-S162 WeakPolarHBondContact O-CB 3.41Å; Q158-S162 PolarHBondContact O-N 3.43Å
159R89.8Confident84.8Confident90 Ų9075 Ų7534%0.3437%0.366SS..Hα-helixtrans-67.5-36.1177.3-177.856.2172.5-109.42.7112D156 P157 S162 L202D156-R159 WeakPolarHBondContact O-CA 3.24Å; D156-R159 WeakPolarHBondContact O-CB 3.44Å; D156-R159 PolarHBondContact O-N 3.25Å; P157-R159 VanDerWaalsContact C-N 3.28Å; P157-R159 PolarHBondContact O-N 3.44Å; R159-S162 WeakPolarHBondContact O-CB 3.27Å; R159-L202 HydrophobicContact CG-CD1 3.94Å; R159-L202 VanDerWaalsContact CZ-O 3.23Å; R159-L202 PolarHBondContact NE-O 2.92Å; R159-L202 PolarHBondContact NH2-O 3.38Å; R159-L202 WeakPolarHBondContact O-CD1 3.23Å
160L91.8Very high85.7Confident7 Ų769 Ų694%0.03734%0.342CS..Hα-helixtrans-73.2-32.2176.7-174.959.7000112.6L155 D156 P157 Q158 G165 L166 W198 L202 L215 V218 I224L155-L160 HydrophobicContact CD1-CB 4.43Å; D156-L160 PolarHBondContact O-N 3.3Å; D156-L160 VanDerWaalsContact O-N 3.08Å; P157-L160 PolarHBondContact O-N 2.84Å; P157-L160 VanDerWaalsContact O-N 3.11Å; Q158-L160 PolarHBondContact O-N 2.84Å; L160-G165 CarbonylContact O-C 3.57Å; L160-G165 WeakPolarHBondContact O-CA 3.29Å; L160-L166 HydrophobicContact CD1-CD2 4.25Å; L160-L166 HydrophobicContact CD1-CG 4.21Å; L160-L166 HydrophobicContact CG-CG 4.13Å; L160-L166 PolarHBondContact O-N 3.45Å; L160-W198 HydrophobicContact CD1-CH2 3.99Å; L160-W198 HydrophobicContact CD1-CZ2 3.73Å; L160-L202 HydrophobicContact CD1-CD2 4Å; L160-L215 HydrophobicContact CD1-CD2 3.73Å; L160-L215 HydrophobicContact CD2-CD2 3.71Å; L160-L215 HydrophobicContact CG-CD2 4.35Å; L160-V218 HydrophobicContact CD2-CG1 4.36Å; L160-I224 HydrophobicContact CD2-CD1 3.78Å; L160-I224 HydrophobicContact CD2-CG1 4.28Å; L160-I224 HydrophobicContact CD2-CG2 4.41Å
161L90.3Very high86.7Confident45 Ų4567.5 Ų67.524%0.23633%0.331CS..Hα-helixtrans-86-16.1178-62.8178.6000113.9P157 Q158 L166 I224 A227 W236P157-L161 WeakPolarHBondContact O-CG 3.43Å; P157-L161 PolarHBondContact O-N 3.02Å; Q158-L161 PolarHBondContact O-N 3.13Å; L161-L166 HydrophobicContact CD2-CD1 3.97Å; L161-I224 HydrophobicContact CG-CG1 4.47Å; L161-A227 HydrophobicContact CD1-CB 4.13Å; L161-A227 HydrophobicContact CD2-CB 3.34Å; L161-A227 HydrophobicContact CG-CB 4.4Å; L161-W236 HydrophobicContact CD2-CH2 4.03Å; L161-W236 HydrophobicContact CD2-CZ3 4.36Å
162S88.8Confident87.7Confident33 Ų3364.4 Ų64.423%0.23131%0.308CS..SBendtrans-57.5160.3174178.20000112.2Q158 R159 K164 G165 P167Q158-S162 WeakPolarHBondContact O-CB 3.41Å; Q158-S162 PolarHBondContact O-N 3.43Å; R159-S162 WeakPolarHBondContact O-CB 3.27Å; S162-K164 PolarHBondContact O-N 3.09Å; S162-G165 PolarHBondContact O-N 2.99Å; S162-P167 WeakPolarHBondContact O-CD 3.2Å
163N87.1Confident88.7Confident132 Ų13256.6 Ų56.671%0.70628%0.281SS*.THydrogen-bonded Turntrans-47.9-29.9177.4-63.3-13000114.1A168N163-A168 WeakPolarHBondContact O-CB 3.46Å; N163-A168 PolarHBondContact O-N 3.25Å
164K88.4Confident89.7Confident121 Ų12161.8 Ų61.853%0.52630%0.298SS..THydrogen-bonded Turntrans-83.3-11.9179.1-61.2-173.4179.7-174.50114.9S162S162-K164 PolarHBondContact O-N 3.09Å
165G92.3Very high90.3Very high0 Ų062.1 Ų62.10%030%0.299CS..THydrogen-bonded Turntrans-93.5-116.3-174.600000112.6L160 S162 A168 L169 W198L160-G165 CarbonylContact O-C 3.57Å; L160-G165 WeakPolarHBondContact O-CA 3.29Å; S162-G165 PolarHBondContact O-N 2.99Å; G165-A168 PolarHBondContact O-N 3.38Å; G165-L169 PolarHBondContact O-N 3.04Å; G165-L169 VanDerWaalsContact O-N 3.14Å; G165-W198 PolarHBondContact O-NE1 3.3Å
166L91.6Very high90.5Very high21 Ų2162.8 Ų62.811%0.1130%0.303CS..Hα-helixtrans-59.3-43.2-177.7-67.1179.1000114.1L160 L161 A168 L169 L170 L228L160-L166 HydrophobicContact CD1-CD2 4.25Å; L160-L166 HydrophobicContact CD1-CG 4.21Å; L160-L166 HydrophobicContact CG-CG 4.13Å; L160-L166 PolarHBondContact O-N 3.45Å; L161-L166 HydrophobicContact CD2-CD1 3.97Å; L166-A168 PolarHBondContact O-N 3.43Å; L166-L169 WeakPolarHBondContact O-CB 3.12Å; L166-L169 PolarHBondContact O-N 3.38Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 2.9Å; L166-L170 VanDerWaalsContact O-N 3.08Å; L166-L228 HydrophobicContact CD1-CD2 4.04Å
167P89.1Confident90.8Very high20 Ų2066.8 Ų66.813%0.1332%0.317CS..Hα-helixtrans-52.8-53.1175-28.134.1000113.3S162 L169 L170 E171 W236S162-P167 WeakPolarHBondContact O-CD 3.2Å; P167-L169 VanDerWaalsContact C-N 3.29Å; P167-L169 PolarHBondContact O-N 3.22Å; P167-L170 WeakPolarHBondContact O-CB 3.5Å; P167-L170 PolarHBondContact O-N 3.15Å; P167-E171 PolarHBondContact O-N 2.94Å; P167-E171 VanDerWaalsContact O-N 3.08Å; P167-W236 HydrophobicContact CG-CZ2 3.62Å
168A91.5Very high91.1Very high8 Ų871 Ų717%0.06633%0.334CS..Hα-helixtrans-67.4-32.6-176.800000112.1N163 G165 L166 L170 E171 D172N163-A168 WeakPolarHBondContact O-CB 3.46Å; N163-A168 PolarHBondContact O-N 3.25Å; G165-A168 PolarHBondContact O-N 3.38Å; L166-A168 PolarHBondContact O-N 3.43Å; A168-L170 VanDerWaalsContact C-N 3.35Å; A168-E171 PolarHBondContact O-N 3.32Å; A168-D172 WeakPolarHBondContact O-CB 3.38Å; A168-D172 PolarHBondContact O-N 3.31Å
169L93.5Very high91.4Very high18 Ų1872.5 Ų72.59%0.09433%0.334CS..Hα-helixtrans-61.2-43.7173.2-173.157.8000111.8G165 L166 P167 E171 D172 F173 Y195 W198G165-L169 PolarHBondContact O-N 3.04Å; G165-L169 VanDerWaalsContact O-N 3.14Å; L166-L169 WeakPolarHBondContact O-CB 3.12Å; L166-L169 PolarHBondContact O-N 3.38Å; P167-L169 VanDerWaalsContact C-N 3.29Å; P167-L169 PolarHBondContact O-N 3.22Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 3.45Å; L169-D172 PolarHBondContact O-N 3.28Å; L169-F173 HydrophobicContact CD1-CD2 3.83Å; L169-F173 HydrophobicContact CD1-CE2 3.3Å; L169-F173 HydrophobicContact CD1-CZ 4.13Å; L169-F173 HydrophobicContact CD2-CE2 4.25Å; L169-F173 HydrophobicContact CG-CD2 3.83Å; L169-F173 HydrophobicContact CG-CE2 3.6Å; L169-F173 WeakPolarHBondContact O-CD2 3.38Å; L169-F173 PolarHBondContact O-N 2.94Å; L169-Y195 HydrophobicContact CD1-CD1 4.12Å; L169-Y195 HydrophobicContact CD1-CE1 4.14Å; L169-Y195 HydrophobicContact CD2-CD1 4.47Å; L169-Y195 HydrophobicContact CD2-CE1 4Å; L169-W198 HydrophobicContact CB-CG 4.33Å; L169-W198 HydrophobicContact CD1-CB 3.95Å; L169-W198 HydrophobicContact CD1-CD2 3.93Å; L169-W198 HydrophobicContact CD1-CE3 4.45Å; L169-W198 HydrophobicContact CD1-CG 3.66Å; L169-W198 HydrophobicContact CD2-CD2 4.17Å; L169-W198 HydrophobicContact CD2-CE3 4.46Å; L169-W198 HydrophobicContact CD2-CH2 4.33Å; L169-W198 HydrophobicContact CD2-CZ2 4.04Å; L169-W198 HydrophobicContact CG-CD2 4.43Å; L169-W198 HydrophobicContact CG-CG 4.43Å
170L90.6Very high91.6Very high62 Ų6269.8 Ų69.833%0.32533%0.334SS..Hα-helixtrans-64.2-39.8177.1-66165.1000111.6L166 P167 A168 F173 K174 L231L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 2.9Å; L166-L170 VanDerWaalsContact O-N 3.08Å; P167-L170 WeakPolarHBondContact O-CB 3.5Å; P167-L170 PolarHBondContact O-N 3.15Å; A168-L170 VanDerWaalsContact C-N 3.35Å; L170-F173 PolarHBondContact O-N 3.32Å; L170-K174 WeakPolarHBondContact O-CG 3.35Å; L170-K174 PolarHBondContact O-N 3.33Å; L170-K174 VanDerWaalsContact O-N 3.16Å; L170-L231 HydrophobicContact CD1-CD1 3.4Å; L170-L231 HydrophobicContact CD1-CD2 4.01Å; L170-L231 HydrophobicContact CD1-CG 4.36Å; L170-L231 HydrophobicContact CD2-CD1 4.31Å; L170-L231 HydrophobicContact CD2-CD2 4.36Å; L170-L231 HydrophobicContact CG-CD1 4.49Å
171E90.8Very high91.8Very high109 Ų10978.8 Ų78.851%0.50937%0.373SS..Hα-helixtrans-65-40.6175.1-70.7179.8-178.300112.8P167 A168 L169 K174P167-E171 PolarHBondContact O-N 2.94Å; P167-E171 VanDerWaalsContact O-N 3.08Å; A168-E171 PolarHBondContact O-N 3.32Å; L169-E171 VanDerWaalsContact C-N 3.34Å; L169-E171 PolarHBondContact O-N 3.45Å; E171-K174 PolarHBondContact O-N 3.16Å
172D91.9Very high92Very high36 Ų3680 Ų8019%0.19340%0.396CS..Hα-helixtrans-66.1-40.9177.9-68.5-27.7000110.4A168 L169 K174 K175 V176 V194 R201A168-D172 WeakPolarHBondContact O-CB 3.38Å; A168-D172 PolarHBondContact O-N 3.31Å; L169-D172 PolarHBondContact O-N 3.28Å; D172-K174 VanDerWaalsContact C-N 3.33Å; D172-K174 PolarHBondContact O-N 3.37Å; D172-K175 WeakPolarHBondContact O-CB 3.33Å; D172-K175 PolarHBondContact O-N 2.87Å; D172-K175 VanDerWaalsContact O-N 3.1Å; D172-K175 IonicContact OD1-NZ 2.75Å; D172-V176 WeakPolarHBondContact O-CG2 3.46Å; D172-V176 PolarHBondContact O-N 3.33Å; D172-V194 HydrophobicContact CB-CG1 4.3Å; D172-R201 IonicContact OD2-CZ 2.69Å; D172-R201 IonicContact OD2-NH1 3.28Å; D172-R201 PolarHBondContact OD2-NH1 3.34Å; D172-R201 IonicContact OD2-NH2 3.93Å; D172-R201 PolarHBondContact OD2-NH2 2.87Å
173F92.1Very high92.4Very high51 Ų5183.2 Ų83.222%0.22440%0.404CS..Hα-helixtrans-65.6-29.1175.3-81.9-57.7000114.5L169 L170 K175 V176 L191 V194 Y195L169-F173 HydrophobicContact CD1-CD2 3.83Å; L169-F173 HydrophobicContact CD1-CE2 3.3Å; L169-F173 HydrophobicContact CD1-CZ 4.13Å; L169-F173 HydrophobicContact CD2-CE2 4.25Å; L169-F173 HydrophobicContact CG-CD2 3.83Å; L169-F173 HydrophobicContact CG-CE2 3.6Å; L169-F173 WeakPolarHBondContact O-CD2 3.38Å; L169-F173 PolarHBondContact O-N 2.94Å; L170-F173 PolarHBondContact O-N 3.32Å; F173-K175 PolarHBondContact O-N 3.01Å; F173-V176 HydrophobicContact CD1-CG2 4.49Å; F173-V176 PolarHBondContact O-N 2.78Å; F173-L191 HydrophobicContact CE1-CD1 3.45Å; F173-L191 VanDerWaalsContact CE1-CD1 3.45Å; F173-L191 HydrophobicContact CZ-CD1 3.83Å; F173-V194 HydrophobicContact CD1-CG1 4.45Å; F173-V194 HydrophobicContact CE1-CB 4.45Å; F173-V194 HydrophobicContact CE1-CG1 3.96Å; F173-V194 HydrophobicContact CZ-CG1 4.01Å; F173-Y195 HydrophobicContact CE1-CE2 4.38Å; F173-Y195 HydrophobicContact CE2-CD1 4.37Å; F173-Y195 AromaticContact CE2-CE1 3.7Å; F173-Y195 HydrophobicContact CE2-CE1 3.7Å; F173-Y195 HydrophobicContact CE2-CE2 4.28Å; F173-Y195 AromaticContact CE2-CZ 3.63Å; F173-Y195 HydrophobicContact CZ-CD1 4.2Å; F173-Y195 AromaticContact CZ-CD2 3.99Å; F173-Y195 HydrophobicContact CZ-CD2 3.99Å; F173-Y195 AromaticContact CZ-CE1 3.73Å; F173-Y195 HydrophobicContact CZ-CE1 3.73Å; F173-Y195 AromaticContact CZ-CE2 3.51Å; F173-Y195 HydrophobicContact CZ-CE2 3.51Å; F173-Y195 HydrophobicContact CZ-CG 4.31Å; F173-Y195 AromaticContact CZ-CZ 3.34Å
174K91.4Very high92.9Very high163 Ų16383.4 Ų83.471%0.70940%0.4SS*.Hα-helixtrans-61.2-29.5172.8-72.4172.1-174.9179.80112.4L170 E171 D172L170-K174 WeakPolarHBondContact O-CG 3.35Å; L170-K174 PolarHBondContact O-N 3.33Å; L170-K174 VanDerWaalsContact O-N 3.16Å; E171-K174 PolarHBondContact O-N 3.16Å; D172-K174 VanDerWaalsContact C-N 3.33Å; D172-K174 PolarHBondContact O-N 3.37Å
175K91.1Very high93.3Very high150 Ų15085.3 Ų85.365%0.65241%0.409SS*.Hα-helixtrans-84.4-22-179.4-58.8167.9-1701640112.3D172 F173 K177D172-K175 WeakPolarHBondContact O-CB 3.33Å; D172-K175 PolarHBondContact O-N 2.87Å; D172-K175 VanDerWaalsContact O-N 3.1Å; D172-K175 IonicContact OD1-NZ 2.75Å; F173-K175 PolarHBondContact O-N 3.01Å; K175-K177 PolarHBondContact O-N 3.08Å
176V93.2Very high93.6Very high20 Ų2090.6 Ų90.612%0.12143%0.434CS..  trans-79111.9-176.9177.20000109.7D172 F173 F178 K190 V194D172-V176 WeakPolarHBondContact O-CG2 3.46Å; D172-V176 PolarHBondContact O-N 3.33Å; F173-V176 HydrophobicContact CD1-CG2 4.49Å; F173-V176 PolarHBondContact O-N 2.78Å; V176-F178 HydrophobicContact CG1-CD1 4.16Å; V176-F178 HydrophobicContact CG1-CE1 3.55Å; V176-F178 HydrophobicContact CG1-CE2 4.08Å; V176-F178 HydrophobicContact CG1-CZ 3.49Å; V176-F178 VanDerWaalsContact CG1-CZ 3.49Å; V176-K190 HydrophobicContact CG1-CD 4.15Å; V176-K190 HydrophobicContact CG1-CG 4.35Å; V176-V194 HydrophobicContact CG2-CG1 4.39Å; V176-V194 HydrophobicContact CG2-CG2 3.59Å
177K94.1Very high93.8Very high162 Ų16290.5 Ų90.570%0.70443%0.433SS*.  trans-98.4126.8167.7-59.2-65.9-177.3178.90109.8K175 K190K175-K177 PolarHBondContact O-N 3.08Å; K177-K190 PolarHBondContact O-NZ 3.5Å
178F95.2Very high94.2Very high101 Ų10194.6 Ų94.644%0.44345%0.454SS..  trans-90.5146.1172-60.2-63.5000109.8V176 D187 L191V176-F178 HydrophobicContact CG1-CD1 4.16Å; V176-F178 HydrophobicContact CG1-CE1 3.55Å; V176-F178 HydrophobicContact CG1-CE2 4.08Å; V176-F178 HydrophobicContact CG1-CZ 3.49Å; V176-F178 VanDerWaalsContact CG1-CZ 3.49Å; F178-D187 HydrophobicContact CB-CB 4.46Å; F178-D187 HydrophobicContact CD1-CB 3.8Å; F178-L191 HydrophobicContact CE1-CB 4.16Å; F178-L191 HydrophobicContact CZ-CB 4.4Å; F178-L191 HydrophobicContact CZ-CD1 4.13Å
179R95.2Very high94.5Very high173 Ų17399 Ų9965%0.65348%0.476SS*.  trans-79.7-32.4179.1-69.1179.3176.7-105.21.1111.6Y183 D187R179-Y183 HydrophobicContact CB-CD1 4.46Å; R179-Y183 HydrophobicContact CB-CD2 3.59Å; R179-Y183 HydrophobicContact CB-CE2 4.36Å; R179-Y183 HydrophobicContact CB-CG 3.64Å; R179-Y183 VanDerWaalsContact CD-CD1 3.45Å; R179-Y183 HydrophobicContact CG-CD2 4.4Å; R179-Y183 HydrophobicContact CG-CG 4.23Å; R179-D187 PolarHBondContact N-OD1 3.48Å; R179-D187 PolarHBondContact N-OD2 3.17Å
180G93.9Very high94.6Very high33 Ų33102.2 Ų102.234%0.3449%0.489SS..  trans99.1-153.2177.900000113.5G182 Y183 D187G180-G182 PolarHBondContact O-N 3.49Å; G180-Y183 PolarHBondContact O-N 3.34Å; G180-D187 PolarHBondContact N-OD2 3.3Å
181K95.4Very high94.9Very high197 Ų197101.8 Ų101.886%0.85749%0.487SS*.THydrogen-bonded Turntrans-53.4134-174.1-170.4176.5-178.1-1800111.5Y183K181-Y183 VanDerWaalsContact C-N 3.32Å
182G96Very high95.2Very high70 Ų70100.4 Ų100.472%0.72248%0.482SS*.THydrogen-bonded Turntrans87.9-11.3-176.600000115G180G180-G182 PolarHBondContact O-N 3.49Å
183Y96.7Very high95.3Very high101 Ų101105 Ų10540%0.39650%0.501SS..  trans-115.117.6173.7-67.3-82.3000112.6R179 G180 K181 F185 Q186 D187R179-Y183 HydrophobicContact CB-CD1 4.46Å; R179-Y183 HydrophobicContact CB-CD2 3.59Å; R179-Y183 HydrophobicContact CB-CE2 4.36Å; R179-Y183 HydrophobicContact CB-CG 3.64Å; R179-Y183 VanDerWaalsContact CD-CD1 3.45Å; R179-Y183 HydrophobicContact CG-CD2 4.4Å; R179-Y183 HydrophobicContact CG-CG 4.23Å; G180-Y183 PolarHBondContact O-N 3.34Å; K181-Y183 VanDerWaalsContact C-N 3.32Å; Y183-F185 VanDerWaalsContact C-N 3.32Å; Y183-F185 PolarHBondContact O-N 2.92Å; Y183-Q186 CarbonylContact O-C 3.6Å; Y183-Q186 WeakPolarHBondContact O-CA 3.17Å; Y183-Q186 PolarHBondContact O-N 3.34Å; Y183-D187 WeakPolarHBondContact O-CB 3.45Å; Y183-D187 PolarHBondContact O-N 2.99Å
184E97.4Very high95.5Very high135 Ų135103.5 Ų103.563%0.63150%0.496SS*.Hα-helixtrans-53.2-44.8-170.9-64.9172.2-165.200113.1Q186 D187 L188E184-Q186 PolarHBondContact O-N 3.47Å; E184-D187 PolarHBondContact O-N 3.34Å; E184-L188 WeakPolarHBondContact O-CB 3.38Å; E184-L188 PolarHBondContact O-N 3.1Å
185F97.4Very high95.8Very high162 Ų162100 Ų10071%0.71148%0.479SS*.Hα-helixtrans-64.1-41.5176.8-177.5-98.3000112.6Y183 N189Y183-F185 VanDerWaalsContact C-N 3.32Å; Y183-F185 PolarHBondContact O-N 2.92Å; F185-N189 WeakPolarHBondContact O-CB 3.47Å; F185-N189 PolarHBondContact O-N 3.49Å
186Q96.9Very high96Very high111 Ų11196.7 Ų96.752%0.51947%0.466SS..Hα-helixtrans-70.4-39.8179.1-63.4-179.917.600111.3Y183 E184 N189 K190Y183-Q186 CarbonylContact O-C 3.6Å; Y183-Q186 WeakPolarHBondContact O-CA 3.17Å; Y183-Q186 PolarHBondContact O-N 3.34Å; E184-Q186 PolarHBondContact O-N 3.47Å; Q186-N189 PolarHBondContact O-N 3.3Å; Q186-K190 WeakPolarHBondContact O-CB 3.48Å; Q186-K190 PolarHBondContact O-N 3.02Å
187D97.3Very high96.1Very high18 Ų1898.1 Ų98.110%0.09648%0.479CS..Hα-helixtrans-67.5-39.1176.3-78-20.6000111.2F178 R179 G180 Y183 E184 K190 L191F178-D187 HydrophobicContact CB-CB 4.46Å; F178-D187 HydrophobicContact CD1-CB 3.8Å; R179-D187 PolarHBondContact N-OD1 3.48Å; R179-D187 PolarHBondContact N-OD2 3.17Å; G180-D187 PolarHBondContact N-OD2 3.3Å; Y183-D187 WeakPolarHBondContact O-CB 3.45Å; Y183-D187 PolarHBondContact O-N 2.99Å; E184-D187 PolarHBondContact O-N 3.34Å; D187-K190 PolarHBondContact O-N 2.98Å; D187-L191 WeakPolarHBondContact O-CB 3.37Å; D187-L191 PolarHBondContact O-N 3.32Å
188L97.4Very high96.1Very high107 Ų10790.9 Ų90.956%0.5645%0.448SS*.Hα-helixtrans-63.9-44.9172.4179.261.1000111.6E184 K190 L191 L192E184-L188 WeakPolarHBondContact O-CB 3.38Å; E184-L188 PolarHBondContact O-N 3.1Å; L188-K190 VanDerWaalsContact C-N 3.29Å; L188-K190 PolarHBondContact O-N 3.13Å; L188-L191 HydrophobicContact CD1-CD2 4.49Å; L188-L191 WeakPolarHBondContact O-CB 3.27Å; L188-L191 PolarHBondContact O-N 3.08Å; L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 PolarHBondContact O-N 2.94Å
189N96.7Very high96Very high100 Ų10086 Ų8654%0.53543%0.427SS..Hα-helixtrans-61.1-41.2176.2-169.118.8000111F185 Q186 L192 F193F185-N189 WeakPolarHBondContact O-CB 3.47Å; F185-N189 PolarHBondContact O-N 3.49Å; Q186-N189 PolarHBondContact O-N 3.3Å; N189-L192 PolarHBondContact O-N 3.41Å; N189-F193 VanDerWaalsContact O-CB 3.29Å; N189-F193 WeakPolarHBondContact O-CB 3.47Å; N189-F193 PolarHBondContact O-N 3.07Å
190K96.1Very high96Very high86 Ų8681.5 Ų81.537%0.37441%0.412SS..Hα-helixtrans-63.2-42.9174.4-171178.7-1731790112.3V176 K177 Q186 D187 L188 V194V176-K190 HydrophobicContact CG1-CD 4.15Å; V176-K190 HydrophobicContact CG1-CG 4.35Å; K177-K190 PolarHBondContact O-NZ 3.5Å; Q186-K190 WeakPolarHBondContact O-CB 3.48Å; Q186-K190 PolarHBondContact O-N 3.02Å; D187-K190 PolarHBondContact O-N 2.98Å; L188-K190 VanDerWaalsContact C-N 3.29Å; L188-K190 PolarHBondContact O-N 3.13Å; K190-V194 VanDerWaalsContact O-CG2 3.23Å; K190-V194 WeakPolarHBondContact O-CG2 3.37Å; K190-V194 PolarHBondContact O-N 3.07Å; K190-V194 VanDerWaalsContact O-N 3.17Å
191L96.6Very high95.9Very high52 Ų5284.8 Ų84.827%0.27242%0.415SS..Hα-helixtrans-60.3-49176.3177.660.3000111F173 F178 D187 L188 V194 Y195F173-L191 HydrophobicContact CE1-CD1 3.45Å; F173-L191 VanDerWaalsContact CE1-CD1 3.45Å; F173-L191 HydrophobicContact CZ-CD1 3.83Å; F178-L191 HydrophobicContact CE1-CB 4.16Å; F178-L191 HydrophobicContact CZ-CB 4.4Å; F178-L191 HydrophobicContact CZ-CD1 4.13Å; D187-L191 WeakPolarHBondContact O-CB 3.37Å; D187-L191 PolarHBondContact O-N 3.32Å; L188-L191 HydrophobicContact CD1-CD2 4.49Å; L188-L191 WeakPolarHBondContact O-CB 3.27Å; L188-L191 PolarHBondContact O-N 3.08Å; L191-V194 PolarHBondContact O-N 3.04Å; L191-Y195 HydrophobicContact CD1-CD2 3.94Å; L191-Y195 HydrophobicContact CD1-CE2 3.46Å; L191-Y195 VanDerWaalsContact CD1-CE2 3.46Å; L191-Y195 HydrophobicContact CG-CD2 4.11Å; L191-Y195 HydrophobicContact CG-CE2 3.92Å; L191-Y195 VanDerWaalsContact O-CD2 3.27Å; L191-Y195 WeakPolarHBondContact O-CD2 3.35Å; L191-Y195 PolarHBondContact O-N 3.33Å
192L96.3Very high95.7Very high80 Ų8075.4 Ų75.442%0.41937%0.374SS..Hα-helixtrans-64-43.6-179.8-173.560.5000111.6L188 N189 V194 Y195 E196 F208L188-L192 WeakPolarHBondContact O-CB 3.45Å; L188-L192 PolarHBondContact O-N 2.94Å; N189-L192 PolarHBondContact O-N 3.41Å; L192-V194 VanDerWaalsContact C-N 3.29Å; L192-V194 PolarHBondContact O-N 2.88Å; L192-Y195 PolarHBondContact O-N 3.5Å; L192-Y195 VanDerWaalsContact O-N 3.17Å; L192-E196 WeakPolarHBondContact O-CB 3.48Å; L192-E196 PolarHBondContact O-N 2.89Å; L192-F208 HydrophobicContact CD1-CD1 4.37Å; L192-F208 HydrophobicContact CD1-CE1 3.52Å; L192-F208 HydrophobicContact CD1-CZ 3.89Å
193F95.9Very high95.5Very high134 Ų13472.2 Ų72.259%0.58834%0.34SS*.Hα-helixtrans-57.6-41176.7178.1-99.2000112.5N189 E196 A197N189-F193 VanDerWaalsContact O-CB 3.29Å; N189-F193 WeakPolarHBondContact O-CB 3.47Å; N189-F193 PolarHBondContact O-N 3.07Å; F193-E196 PolarHBondContact O-N 2.95Å; F193-A197 VanDerWaalsContact O-CB 3.3Å; F193-A197 WeakPolarHBondContact O-CB 3.3Å; F193-A197 PolarHBondContact O-N 3.48Å
194V95.8Very high95.1Very high19 Ų1972 Ų7212%0.11535%0.351CS..Hα-helixtrans-64.8-44.3177.8172.20000110.8D172 F173 V176 K190 L191 L192 W198D172-V194 HydrophobicContact CB-CG1 4.3Å; F173-V194 HydrophobicContact CD1-CG1 4.45Å; F173-V194 HydrophobicContact CE1-CB 4.45Å; F173-V194 HydrophobicContact CE1-CG1 3.96Å; F173-V194 HydrophobicContact CZ-CG1 4.01Å; V176-V194 HydrophobicContact CG2-CG1 4.39Å; V176-V194 HydrophobicContact CG2-CG2 3.59Å; K190-V194 VanDerWaalsContact O-CG2 3.23Å; K190-V194 WeakPolarHBondContact O-CG2 3.37Å; K190-V194 PolarHBondContact O-N 3.07Å; K190-V194 VanDerWaalsContact O-N 3.17Å; L191-V194 PolarHBondContact O-N 3.04Å; L192-V194 VanDerWaalsContact C-N 3.29Å; L192-V194 PolarHBondContact O-N 2.88Å; V194-W198 VanDerWaalsContact O-CB 3.27Å; V194-W198 WeakPolarHBondContact O-CB 3.43Å; V194-W198 PolarHBondContact O-N 2.84Å
195Y96.5Very high94.7Very high88 Ų8875 Ų7535%0.34536%0.357SS..Hα-helixtrans-64.5-41.5175.7-80.9-64.4000112.6L169 F173 L191 L192 W198 S199L169-Y195 HydrophobicContact CD1-CD1 4.12Å; L169-Y195 HydrophobicContact CD1-CE1 4.14Å; L169-Y195 HydrophobicContact CD2-CD1 4.47Å; L169-Y195 HydrophobicContact CD2-CE1 4Å; F173-Y195 HydrophobicContact CE1-CE2 4.38Å; F173-Y195 HydrophobicContact CE2-CD1 4.37Å; F173-Y195 AromaticContact CE2-CE1 3.7Å; F173-Y195 HydrophobicContact CE2-CE1 3.7Å; F173-Y195 HydrophobicContact CE2-CE2 4.28Å; F173-Y195 AromaticContact CE2-CZ 3.63Å; F173-Y195 HydrophobicContact CZ-CD1 4.2Å; F173-Y195 AromaticContact CZ-CD2 3.99Å; F173-Y195 HydrophobicContact CZ-CD2 3.99Å; F173-Y195 AromaticContact CZ-CE1 3.73Å; F173-Y195 HydrophobicContact CZ-CE1 3.73Å; F173-Y195 AromaticContact CZ-CE2 3.51Å; F173-Y195 HydrophobicContact CZ-CE2 3.51Å; F173-Y195 HydrophobicContact CZ-CG 4.31Å; F173-Y195 AromaticContact CZ-CZ 3.34Å; L191-Y195 HydrophobicContact CD1-CD2 3.94Å; L191-Y195 HydrophobicContact CD1-CE2 3.46Å; L191-Y195 VanDerWaalsContact CD1-CE2 3.46Å; L191-Y195 HydrophobicContact CG-CD2 4.11Å; L191-Y195 HydrophobicContact CG-CE2 3.92Å; L191-Y195 VanDerWaalsContact O-CD2 3.27Å; L191-Y195 WeakPolarHBondContact O-CD2 3.35Å; L191-Y195 PolarHBondContact O-N 3.33Å; L192-Y195 PolarHBondContact O-N 3.5Å; L192-Y195 VanDerWaalsContact O-N 3.17Å; Y195-W198 HydrophobicContact CD1-CE3 4.41Å; Y195-W198 PolarHBondContact O-N 3.03Å; Y195-S199 WeakPolarHBondContact O-CB 3.5Å; Y195-S199 PolarHBondContact O-N 3.18Å
196E95.7Very high94.4Very high82 Ų8268 Ų6838%0.38333%0.327SS..Hα-helixtrans-62.9-51.1177.2-178.7171.3-163.100110.8L192 F193 W198 S199 H200 F208L192-E196 WeakPolarHBondContact O-CB 3.48Å; L192-E196 PolarHBondContact O-N 2.89Å; F193-E196 PolarHBondContact O-N 2.95Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 3.34Å; E196-S199 WeakPolarHBondContact O-CB 3.37Å; E196-S199 PolarHBondContact O-N 2.92Å; E196-S199 VanDerWaalsContact O-N 3.1Å; E196-S199 PolarHBondContact O-OG 3.18Å; E196-H200 PolarHBondContact O-CD2 3.3Å; E196-H200 PolarHBondContact O-N 3.04Å; E196-H200 IonicContact OE1-NE2 3.93Å; E196-F208 HydrophobicContact CB-CD2 4.3Å; E196-F208 HydrophobicContact CB-CG 4.41Å; E196-F208 HydrophobicContact CG-CB 4.29Å
197A94.8Very high94.2Very high49 Ų4965.7 Ų65.741%0.40532%0.323SS..Hα-helixtrans-59-42176.800000112.3F193 H200 R201F193-A197 VanDerWaalsContact O-CB 3.3Å; F193-A197 WeakPolarHBondContact O-CB 3.3Å; F193-A197 PolarHBondContact O-N 3.48Å; A197-H200 PolarHBondContact O-N 3.47Å; A197-R201 PolarHBondContact O-N 3.1Å; A197-R201 VanDerWaalsContact O-N 3.07Å
198W95.1Very high94.1Very high10 Ų1066.8 Ų66.84%0.03833%0.326CS..Hα-helixtrans-60.8-45.1173.9166.581.5000111.9L160 G165 L169 V194 Y195 E196 H200 R201 L202 L215L160-W198 HydrophobicContact CD1-CH2 3.99Å; L160-W198 HydrophobicContact CD1-CZ2 3.73Å; G165-W198 PolarHBondContact O-NE1 3.3Å; L169-W198 HydrophobicContact CB-CG 4.33Å; L169-W198 HydrophobicContact CD1-CB 3.95Å; L169-W198 HydrophobicContact CD1-CD2 3.93Å; L169-W198 HydrophobicContact CD1-CE3 4.45Å; L169-W198 HydrophobicContact CD1-CG 3.66Å; L169-W198 HydrophobicContact CD2-CD2 4.17Å; L169-W198 HydrophobicContact CD2-CE3 4.46Å; L169-W198 HydrophobicContact CD2-CH2 4.33Å; L169-W198 HydrophobicContact CD2-CZ2 4.04Å; L169-W198 HydrophobicContact CG-CD2 4.43Å; L169-W198 HydrophobicContact CG-CG 4.43Å; V194-W198 VanDerWaalsContact O-CB 3.27Å; V194-W198 WeakPolarHBondContact O-CB 3.43Å; V194-W198 PolarHBondContact O-N 2.84Å; Y195-W198 HydrophobicContact CD1-CE3 4.41Å; Y195-W198 PolarHBondContact O-N 3.03Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 3.34Å; W198-H200 PolarHBondContact O-N 2.93Å; W198-R201 WeakPolarHBondContact O-CB 3.49Å; W198-R201 PolarHBondContact O-N 2.79Å; W198-L202 HydrophobicContact CH2-CD2 4.12Å; W198-L202 HydrophobicContact CZ2-CD2 3.85Å; W198-L202 PolarHBondContact O-N 3.21Å; W198-L215 HydrophobicContact CH2-CD1 3.78Å; W198-L215 HydrophobicContact CH2-CD2 4.15Å; W198-L215 HydrophobicContact CZ3-CD1 3.75Å
199S94Very high93.9Very high0 Ų065.4 Ų65.40%032%0.324CS..Hα-helixtrans-63-40.9-179.781.30000112.1Y195 E196 L202 V203 F208Y195-S199 WeakPolarHBondContact O-CB 3.5Å; Y195-S199 PolarHBondContact O-N 3.18Å; E196-S199 WeakPolarHBondContact O-CB 3.37Å; E196-S199 PolarHBondContact O-N 2.92Å; E196-S199 VanDerWaalsContact O-N 3.1Å; E196-S199 PolarHBondContact O-OG 3.18Å; S199-L202 WeakPolarHBondContact O-CB 3.24Å; S199-L202 PolarHBondContact O-N 3.02Å; S199-L202 VanDerWaalsContact O-N 3.16Å; S199-V203 PolarHBondContact O-N 3.37Å; S199-F208 WeakPolarHBondContact OG-CD2 3.48Å
200H93.2Very high93.8Very high77 Ų7764.5 Ų64.536%0.35632%0.316SS..Hα-helixtrans-66.9-36.2176.5-78-66.6000111.7E196 A197 W198 L202 V203 P204E196-H200 PolarHBondContact O-CD2 3.3Å; E196-H200 PolarHBondContact O-N 3.04Å; E196-H200 IonicContact OE1-NE2 3.93Å; A197-H200 PolarHBondContact O-N 3.47Å; W198-H200 PolarHBondContact O-N 2.93Å; H200-L202 VanDerWaalsContact C-N 3.33Å; H200-V203 CarbonylContact O-C 3.57Å; H200-P204 VanDerWaalsContact O-CA 3.24Å; H200-P204 WeakPolarHBondContact O-CA 3.49Å; H200-P204 WeakPolarHBondContact O-CD 3.31Å; H200-P204 VanDerWaalsContact O-CG 3.23Å; H200-P204 WeakPolarHBondContact O-CG 3.38Å; H200-P204 VanDerWaalsContact O-N 3.17Å
201R92.1Very high93.7Very high103 Ų10360.4 Ų60.439%0.38930%0.299SS..Hα-helixtrans-65.6-37.8171.6-175.3173.465-165.3-13.2111.7D172 A197 W198D172-R201 IonicContact OD2-CZ 2.69Å; D172-R201 IonicContact OD2-NH1 3.28Å; D172-R201 PolarHBondContact OD2-NH1 3.34Å; D172-R201 IonicContact OD2-NH2 3.93Å; D172-R201 PolarHBondContact OD2-NH2 2.87Å; A197-R201 PolarHBondContact O-N 3.1Å; A197-R201 VanDerWaalsContact O-N 3.07Å; W198-R201 WeakPolarHBondContact O-CB 3.49Å; W198-R201 PolarHBondContact O-N 2.79Å
202L91.8Very high93.6Very high0 Ų060.7 Ų60.70%030%0.3CS..Hα-helixtrans-70.4-51.4-179.5-169.361.8000111.3L155 R159 L160 W198 S199 H200L155-L202 HydrophobicContact CD1-CD2 3.51Å; L155-L202 HydrophobicContact CD1-CG 4.09Å; R159-L202 HydrophobicContact CG-CD1 3.94Å; R159-L202 VanDerWaalsContact CZ-O 3.23Å; R159-L202 PolarHBondContact NE-O 2.92Å; R159-L202 PolarHBondContact NH2-O 3.38Å; R159-L202 WeakPolarHBondContact O-CD1 3.23Å; L160-L202 HydrophobicContact CD1-CD2 4Å; W198-L202 HydrophobicContact CH2-CD2 4.12Å; W198-L202 HydrophobicContact CZ2-CD2 3.85Å; W198-L202 PolarHBondContact O-N 3.21Å; S199-L202 WeakPolarHBondContact O-CB 3.24Å; S199-L202 PolarHBondContact O-N 3.02Å; S199-L202 VanDerWaalsContact O-N 3.16Å; H200-L202 VanDerWaalsContact C-N 3.33Å
203V91Very high93.5Very high3 Ų361.3 Ų61.32%0.01830%0.303CS..  trans-140.890.9178.7-1650000111.1L155 S199 H200 R205 M206L155-V203 HydrophobicContact CB-CG2 4.48Å; L155-V203 HydrophobicContact CD1-CG2 4.4Å; S199-V203 PolarHBondContact O-N 3.37Å; H200-V203 CarbonylContact O-C 3.57Å; V203-R205 PolarHBondContact O-N 3.2Å; V203-M206 HydrophobicContact CB-CB 4.47Å; V203-M206 HydrophobicContact CB-CE 3.7Å; V203-M206 HydrophobicContact CB-CG 4.38Å; V203-M206 HydrophobicContact CB-SD 4.11Å; V203-M206 HydrophobicContact CG1-CB 4.27Å; V203-M206 HydrophobicContact CG1-CE 3.74Å; V203-M206 HydrophobicContact CG1-CG 3.7Å; V203-M206 HydrophobicContact CG1-SD 3.44Å; V203-M206 WeakPolarHBondContact CG1-SD 3.33Å; V203-M206 HydrophobicContact CG2-CE 3.78Å; V203-M206 HydrophobicContact CG2-SD 4.49Å; V203-M206 PolarHBondContact O-N 2.97Å
204P89.9Confident93.4Very high95 Ų9558.1 Ų58.162%0.61729%0.288SS*.THydrogen-bonded Turntrans-62.3-14.1-173.9-23.329.9000116H200H200-P204 VanDerWaalsContact O-CA 3.24Å; H200-P204 WeakPolarHBondContact O-CA 3.49Å; H200-P204 WeakPolarHBondContact O-CD 3.31Å; H200-P204 VanDerWaalsContact O-CG 3.23Å; H200-P204 WeakPolarHBondContact O-CG 3.38Å; H200-P204 VanDerWaalsContact O-N 3.17Å
205R88.6Confident93.3Very high199 Ų19958.7 Ų58.775%0.75129%0.29SS*.THydrogen-bonded Turntrans-92.9-5.3-174.4-64.6-168.8176.7-178.7-0.3114V203V203-R205 PolarHBondContact O-N 3.2Å
206M90.3Very high93.2Very high16 Ų1660.9 Ų60.98%0.07930%0.303CS..SBendtrans-114.4144.2-171.9-64.3177.8-5.900108.4L155 V203 V211 R214L155-M206 HydrophobicContact CB-CE 4.32Å; V203-M206 HydrophobicContact CB-CB 4.47Å; V203-M206 HydrophobicContact CB-CE 3.7Å; V203-M206 HydrophobicContact CB-CG 4.38Å; V203-M206 HydrophobicContact CB-SD 4.11Å; V203-M206 HydrophobicContact CG1-CB 4.27Å; V203-M206 HydrophobicContact CG1-CE 3.74Å; V203-M206 HydrophobicContact CG1-CG 3.7Å; V203-M206 HydrophobicContact CG1-SD 3.44Å; V203-M206 WeakPolarHBondContact CG1-SD 3.33Å; V203-M206 HydrophobicContact CG2-CE 3.78Å; V203-M206 HydrophobicContact CG2-SD 4.49Å; V203-M206 PolarHBondContact O-N 2.97Å; M206-V211 HydrophobicContact CB-CG2 3.69Å; M206-V211 HydrophobicContact CE-CB 4.34Å; M206-V211 HydrophobicContact CE-CG2 3.65Å; M206-R214 VanDerWaalsContact CB-NH2 3.27Å; M206-R214 VanDerWaalsContact CE-CZ 3.49Å; M206-R214 VanDerWaalsContact CE-NH2 3.28Å; M206-R214 PolarHBondContact SD-NE 3.14Å; M206-R214 PolarHBondContact SD-NH2 3.26Å
207S93.2Very high93Very high62 Ų6262.2 Ų62.243%0.43431%0.313SS..  trans-75154.3171.363.40000109.8E210 V211S207-E210 PolarHBondContact O-N 3.27Å; S207-E210 VanDerWaalsContact O-N 3.07Å; S207-E210 WeakPolarHBondContact OG-CB 3.42Å; S207-V211 WeakPolarHBondContact O-CG2 3.27Å; S207-V211 PolarHBondContact O-N 3.17Å
208F94.2Very high92.9Very high40 Ų4060.3 Ų60.318%0.17530%0.296CS..Hα-helixtrans-47.6-52.1178.2179.8-114.4000113.9L192 E196 S199 E210 V211 I212L192-F208 HydrophobicContact CD1-CD1 4.37Å; L192-F208 HydrophobicContact CD1-CE1 3.52Å; L192-F208 HydrophobicContact CD1-CZ 3.89Å; E196-F208 HydrophobicContact CB-CD2 4.3Å; E196-F208 HydrophobicContact CB-CG 4.41Å; E196-F208 HydrophobicContact CG-CB 4.29Å; S199-F208 WeakPolarHBondContact OG-CD2 3.48Å; F208-E210 VanDerWaalsContact C-N 3.32Å; F208-E210 PolarHBondContact O-N 3.1Å; F208-V211 WeakPolarHBondContact O-CA 3.36Å; F208-V211 WeakPolarHBondContact O-CB 3.43Å; F208-V211 PolarHBondContact O-N 3.38Å; F208-I212 HydrophobicContact CD2-CD1 4.43Å; F208-I212 HydrophobicContact CD2-CG1 4.49Å; F208-I212 HydrophobicContact CE1-CD1 4.49Å; F208-I212 HydrophobicContact CE1-CG1 4.18Å; F208-I212 HydrophobicContact CE2-CD1 3.74Å; F208-I212 HydrophobicContact CE2-CG1 4.12Å; F208-I212 HydrophobicContact CZ-CD1 3.78Å; F208-I212 HydrophobicContact CZ-CG1 3.96Å; F208-I212 WeakPolarHBondContact O-CG1 3.32Å; F208-I212 PolarHBondContact O-N 3.44Å; F208-I212 VanDerWaalsContact O-N 3.08Å
209P95.1Very high92.7Very high78 Ų7860.9 Ų60.951%0.50631%0.306SS..Hα-helixtrans-61-39.1178.622.9-34000112.9V211 I212 D213P209-V211 PolarHBondContact O-N 3.28Å; P209-I212 WeakPolarHBondContact O-CB 3.11Å; P209-I212 PolarHBondContact O-N 3.08Å; P209-I212 VanDerWaalsContact O-N 3.07Å; P209-D213 PolarHBondContact O-N 3.12Å
210E94Very high92.7Very high81 Ų8164.6 Ų64.638%0.37933%0.332SS..Hα-helixtrans-69-22.8178.1-148.7-156.9159.600112.1S207 F208 R214S207-E210 PolarHBondContact O-N 3.27Å; S207-E210 VanDerWaalsContact O-N 3.07Å; S207-E210 WeakPolarHBondContact OG-CB 3.42Å; F208-E210 VanDerWaalsContact C-N 3.32Å; F208-E210 PolarHBondContact O-N 3.1Å; E210-R214 VanDerWaalsContact CB-NH2 3.3Å; E210-R214 VanDerWaalsContact CD-CZ 3.43Å; E210-R214 VanDerWaalsContact O-CZ 3.24Å; E210-R214 PolarHBondContact O-NE 3.44Å; E210-R214 PolarHBondContact O-NH2 3.32Å; E210-R214 IonicContact OE1-CZ 3.49Å; E210-R214 VanDerWaalsContact OE1-CZ 3.22Å; E210-R214 IonicContact OE1-NH1 2.88Å; E210-R214 PolarHBondContact OE1-NH1 3.38Å; E210-R214 IonicContact OE1-NH2 3.46Å; E210-R214 PolarHBondContact OE1-NH2 3.49Å; E210-R214 IonicContact OE2-CZ 3.85Å; E210-R214 IonicContact OE2-NH1 2.93Å; E210-R214 IonicContact OE2-NH2 2.71Å; E210-R214 PolarHBondContact OE2-NH2 2.91Å
211V93.7Very high92.7Very high0 Ų065 Ų650%033%0.332CS..Hα-helixtrans-73.3-42.8169.8177.70000110M206 S207 F208 P209 R214 L215M206-V211 HydrophobicContact CB-CG2 3.69Å; M206-V211 HydrophobicContact CE-CB 4.34Å; M206-V211 HydrophobicContact CE-CG2 3.65Å; S207-V211 WeakPolarHBondContact O-CG2 3.27Å; S207-V211 PolarHBondContact O-N 3.17Å; F208-V211 WeakPolarHBondContact O-CA 3.36Å; F208-V211 WeakPolarHBondContact O-CB 3.43Å; F208-V211 PolarHBondContact O-N 3.38Å; P209-V211 PolarHBondContact O-N 3.28Å; V211-R214 PolarHBondContact O-N 2.9Å; V211-L215 HydrophobicContact CG1-CD1 3.8Å; V211-L215 HydrophobicContact CG1-CG 4.19Å; V211-L215 WeakPolarHBondContact O-CB 3.16Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 2.71Å
212I94.8Very high92.7Very high58 Ų5869.5 Ų69.530%0.29735%0.349SS..Hα-helixtrans-60.6-50.3178.1-59.5-51.8000111.2F208 P209 R214 L215 E216F208-I212 HydrophobicContact CD2-CD1 4.43Å; F208-I212 HydrophobicContact CD2-CG1 4.49Å; F208-I212 HydrophobicContact CE1-CD1 4.49Å; F208-I212 HydrophobicContact CE1-CG1 4.18Å; F208-I212 HydrophobicContact CE2-CD1 3.74Å; F208-I212 HydrophobicContact CE2-CG1 4.12Å; F208-I212 HydrophobicContact CZ-CD1 3.78Å; F208-I212 HydrophobicContact CZ-CG1 3.96Å; F208-I212 WeakPolarHBondContact O-CG1 3.32Å; F208-I212 PolarHBondContact O-N 3.44Å; F208-I212 VanDerWaalsContact O-N 3.08Å; P209-I212 WeakPolarHBondContact O-CB 3.11Å; P209-I212 PolarHBondContact O-N 3.08Å; P209-I212 VanDerWaalsContact O-N 3.07Å; I212-R214 PolarHBondContact O-N 2.75Å; I212-R214 VanDerWaalsContact O-N 3.13Å; I212-L215 HydrophobicContact CD1-CD1 4.07Å; I212-L215 WeakPolarHBondContact O-CA 3.33Å; I212-L215 WeakPolarHBondContact O-CB 3.2Å; I212-L215 PolarHBondContact O-N 3.46Å; I212-E216 PolarHBondContact O-N 2.84Å
213D94.4Very high92.7Very high93 Ų9375.4 Ų75.450%0.49738%0.377SS..Hα-helixtrans-56-36.2178.2-63.1-20.2000112.2P209 N217P209-D213 PolarHBondContact O-N 3.12Å; D213-N217 PolarHBondContact O-ND2 2.74Å
214R92.9Very high92.8Very high67 Ų6775.3 Ų75.325%0.25338%0.376SS..Hα-helixtrans-77.6-34.5176.1-80.9-178.9-77.1-122.81.8112.7L155 M206 E210 V211 I212 E216 N217 V218L155-R214 HydrophobicContact CB-CB 4.5Å; L155-R214 HydrophobicContact CD2-CB 4.02Å; M206-R214 VanDerWaalsContact CB-NH2 3.27Å; M206-R214 VanDerWaalsContact CE-CZ 3.49Å; M206-R214 VanDerWaalsContact CE-NH2 3.28Å; M206-R214 PolarHBondContact SD-NE 3.14Å; M206-R214 PolarHBondContact SD-NH2 3.26Å; E210-R214 VanDerWaalsContact CB-NH2 3.3Å; E210-R214 VanDerWaalsContact CD-CZ 3.43Å; E210-R214 VanDerWaalsContact O-CZ 3.24Å; E210-R214 PolarHBondContact O-NE 3.44Å; E210-R214 PolarHBondContact O-NH2 3.32Å; E210-R214 IonicContact OE1-CZ 3.49Å; E210-R214 VanDerWaalsContact OE1-CZ 3.22Å; E210-R214 IonicContact OE1-NH1 2.88Å; E210-R214 PolarHBondContact OE1-NH1 3.38Å; E210-R214 IonicContact OE1-NH2 3.46Å; E210-R214 PolarHBondContact OE1-NH2 3.49Å; E210-R214 IonicContact OE2-CZ 3.85Å; E210-R214 IonicContact OE2-NH1 2.93Å; E210-R214 IonicContact OE2-NH2 2.71Å; E210-R214 PolarHBondContact OE2-NH2 2.91Å; V211-R214 PolarHBondContact O-N 2.9Å; I212-R214 PolarHBondContact O-N 2.75Å; I212-R214 VanDerWaalsContact O-N 3.13Å; R214-E216 VanDerWaalsContact C-N 3.3Å; R214-N217 PolarHBondContact O-N 2.92Å; R214-V218 VanDerWaalsContact O-CB 3.3Å; R214-V218 WeakPolarHBondContact O-CB 3.35Å; R214-V218 WeakPolarHBondContact O-CG2 3.42Å; R214-V218 PolarHBondContact O-N 3.45Å
215L93.9Very high92.9Very high31 Ų3178 Ų7816%0.16237%0.374CS..Hα-helixtrans-62.2-38.4174.3-80.6166.1000111.2L155 L160 W198 V211 I212 N217 V218 G219L155-L215 HydrophobicContact CD2-CB 4.35Å; L155-L215 HydrophobicContact CD2-CD2 3.63Å; L155-L215 HydrophobicContact CD2-CG 3.59Å; L160-L215 HydrophobicContact CD1-CD2 3.73Å; L160-L215 HydrophobicContact CD2-CD2 3.71Å; L160-L215 HydrophobicContact CG-CD2 4.35Å; W198-L215 HydrophobicContact CH2-CD1 3.78Å; W198-L215 HydrophobicContact CH2-CD2 4.15Å; W198-L215 HydrophobicContact CZ3-CD1 3.75Å; V211-L215 HydrophobicContact CG1-CD1 3.8Å; V211-L215 HydrophobicContact CG1-CG 4.19Å; V211-L215 WeakPolarHBondContact O-CB 3.16Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 2.71Å; I212-L215 HydrophobicContact CD1-CD1 4.07Å; I212-L215 WeakPolarHBondContact O-CA 3.33Å; I212-L215 WeakPolarHBondContact O-CB 3.2Å; I212-L215 PolarHBondContact O-N 3.46Å; L215-N217 PolarHBondContact O-N 3.22Å; L215-V218 PolarHBondContact O-N 2.91Å; L215-G219 WeakPolarHBondContact O-CA 3.49Å; L215-G219 PolarHBondContact O-N 3.36Å
216E93.7Very high93.1Very high134 Ų13471.5 Ų71.563%0.62636%0.356SS*.Hα-helixtrans-58.8-48.1174.7-68.5-176.5173.400111.3I212 R214 V218 S220I212-E216 PolarHBondContact O-N 2.84Å; R214-E216 VanDerWaalsContact C-N 3.3Å; E216-V218 PolarHBondContact O-N 2.94Å; E216-S220 PolarHBondContact O-N 3.28Å
217N92.1Very high93.1Very high110 Ų11071 Ų7159%0.58836%0.355SS*.Hα-helixtrans-63.6-42.9177.4-70.8-29.8000112.4D213 R214 L215 S220D213-N217 PolarHBondContact O-ND2 2.74Å; R214-N217 PolarHBondContact O-N 2.92Å; L215-N217 PolarHBondContact O-N 3.22Å; N217-S220 PolarHBondContact O-OG 3.34Å
218V92.8Very high93Very high9 Ų971.8 Ų71.86%0.05535%0.354CS..Hα-helixtrans-74.7-35.9-176.6170.30000111.1L155 P157 L160 R214 L215 E216 S220 K221 I224L155-V218 HydrophobicContact CD2-CG2 4.45Å; L155-V218 HydrophobicContact CG-CG2 4.31Å; L155-V218 WeakPolarHBondContact O-CG2 3.49Å; P157-V218 HydrophobicContact CG-CG1 4.34Å; L160-V218 HydrophobicContact CD2-CG1 4.36Å; R214-V218 VanDerWaalsContact O-CB 3.3Å; R214-V218 WeakPolarHBondContact O-CB 3.35Å; R214-V218 WeakPolarHBondContact O-CG2 3.42Å; R214-V218 PolarHBondContact O-N 3.45Å; L215-V218 PolarHBondContact O-N 2.91Å; E216-V218 PolarHBondContact O-N 2.94Å; V218-S220 VanDerWaalsContact C-N 3.26Å; V218-S220 PolarHBondContact O-N 2.9Å; V218-K221 VanDerWaalsContact O-CB 3.27Å; V218-K221 WeakPolarHBondContact O-CB 3.47Å; V218-K221 WeakPolarHBondContact O-CG 3.49Å; V218-K221 PolarHBondContact O-N 3.29Å; V218-K221 VanDerWaalsContact O-N 3.12Å; V218-I224 HydrophobicContact CB-CD1 4.31Å; V218-I224 HydrophobicContact CG1-CD1 3.17Å; V218-I224 WeakPolarHBondContact O-CD1 3.44Å
219G91.9Very high92.9Very high23 Ų2375.4 Ų75.424%0.23737%0.371CS..Hα-helixtrans-64.2-25.1178.700000114.3L215 K221L215-G219 WeakPolarHBondContact O-CA 3.49Å; L215-G219 PolarHBondContact O-N 3.36Å; G219-K221 PolarHBondContact O-N 3.44Å
220S92.2Very high92.7Very high78 Ų7877.2 Ų77.255%0.54537%0.368SS..THydrogen-bonded Turntrans-67.1-21.7174.273.50000113.7E216 N217 V218 R225E216-S220 PolarHBondContact O-N 3.28Å; N217-S220 PolarHBondContact O-OG 3.34Å; V218-S220 VanDerWaalsContact C-N 3.26Å; V218-S220 PolarHBondContact O-N 2.9Å; S220-R225 PolarHBondContact O-NE 3.1Å
221K94Very high92.4Very high85 Ų8575.5 Ų75.537%0.3736%0.361SS..SBendtrans-67.5144.7-176.3-65172.3175.4178.50111.4P157 V218 G219 E223 I224 R225P157-K221 HydrophobicContact CG-CB 4.49Å; P157-K221 HydrophobicContact CG-CD 3.35Å; V218-K221 VanDerWaalsContact O-CB 3.27Å; V218-K221 WeakPolarHBondContact O-CB 3.47Å; V218-K221 WeakPolarHBondContact O-CG 3.49Å; V218-K221 PolarHBondContact O-N 3.29Å; V218-K221 VanDerWaalsContact O-N 3.12Å; G219-K221 PolarHBondContact O-N 3.44Å; K221-E223 VanDerWaalsContact C-N 3.34Å; K221-E223 PolarHBondContact O-N 2.97Å; K221-I224 PolarHBondContact O-N 3.01Å; K221-R225 PolarHBondContact O-N 3.46Å; K221-R225 VanDerWaalsContact O-N 3.1Å
222R92.8Very high92.2Very high197 Ų19786.1 Ų86.174%0.74340%0.401SS*.Hα-helixtrans-57.8-42.8-174.3-179174.3178.5150.1-0.4113I224 R225 V226R222-I224 VanDerWaalsContact C-N 3.32Å; R222-I224 PolarHBondContact O-N 2.98Å; R222-R225 PolarHBondContact O-N 2.68Å; R222-V226 HydrophobicContact CG-CG2 4.24Å; R222-V226 WeakPolarHBondContact O-CG2 3.3Å; R222-V226 PolarHBondContact O-N 3.17Å
223E91.3Very high92Very high124 Ų12487.4 Ų87.458%0.57941%0.409SS*.Hα-helixtrans-56.7-44.8-179.2-66.6163-15700112.1P157 K221 A227P157-E223 HydrophobicContact CB-CB 4.49Å; P157-E223 VanDerWaalsContact CB-OE2 3.3Å; P157-E223 WeakPolarHBondContact CB-OE2 3.4Å; K221-E223 VanDerWaalsContact C-N 3.34Å; K221-E223 PolarHBondContact O-N 2.97Å; E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 3.34Å
224I93Very high91.5Very high2 Ų286.1 Ų86.11%0.0142%0.417CS..Hα-helixtrans-73.1-40.3178.9-70159.9000111.2P157 L160 L161 V218 K221 R222 V226 A227 L228P157-I224 HydrophobicContact CB-CD1 3.83Å; P157-I224 HydrophobicContact CB-CG1 4.1Å; P157-I224 HydrophobicContact CG-CD1 4.23Å; L160-I224 HydrophobicContact CD2-CD1 3.78Å; L160-I224 HydrophobicContact CD2-CG1 4.28Å; L160-I224 HydrophobicContact CD2-CG2 4.41Å; L161-I224 HydrophobicContact CG-CG1 4.47Å; V218-I224 HydrophobicContact CB-CD1 4.31Å; V218-I224 HydrophobicContact CG1-CD1 3.17Å; V218-I224 WeakPolarHBondContact O-CD1 3.44Å; K221-I224 PolarHBondContact O-N 3.01Å; R222-I224 VanDerWaalsContact C-N 3.32Å; R222-I224 PolarHBondContact O-N 2.98Å; I224-V226 VanDerWaalsContact C-N 3.29Å; I224-V226 PolarHBondContact O-N 3.07Å; I224-A227 PolarHBondContact O-N 2.87Å; I224-L228 HydrophobicContact CG2-CD1 3.76Å; I224-L228 HydrophobicContact CG2-CG 4.01Å; I224-L228 WeakPolarHBondContact O-CB 3.35Å; I224-L228 WeakPolarHBondContact O-CG 3.41Å; I224-L228 PolarHBondContact O-N 3.01Å
225R93.1Very high90.8Very high152 Ų15288.3 Ų88.357%0.57443%0.432SS*.Hα-helixtrans-58.4-42.8174.4-73-168.4-75.6150.6-3.8112.1S220 K221 R222 H229S220-R225 PolarHBondContact O-NE 3.1Å; K221-R225 PolarHBondContact O-N 3.46Å; K221-R225 VanDerWaalsContact O-N 3.1Å; R222-R225 PolarHBondContact O-N 2.68Å; R225-H229 WeakPolarHBondContact O-CB 3.47Å; R225-H229 PolarHBondContact O-N 2.85Å
226V92.2Very high89.8Confident62 Ų6289 Ų8938%0.37643%0.433SS..Hα-helixtrans-64.9-45.4175.4172.90000110.9R222 I224 H229 R230R222-V226 HydrophobicContact CG-CG2 4.24Å; R222-V226 WeakPolarHBondContact O-CG2 3.3Å; R222-V226 PolarHBondContact O-N 3.17Å; I224-V226 VanDerWaalsContact C-N 3.29Å; I224-V226 PolarHBondContact O-N 3.07Å; V226-H229 PolarHBondContact O-N 3.06Å; V226-R230 WeakPolarHBondContact O-CG 3.49Å; V226-R230 PolarHBondContact O-N 2.88Å
227A90Very high88.4Confident6 Ų686.4 Ų86.45%0.0543%0.428CS..Hα-helixtrans-60.4-45.3176.800000112.9L161 E223 I224 R230 L231 W236L161-A227 HydrophobicContact CD1-CB 4.13Å; L161-A227 HydrophobicContact CD2-CB 3.34Å; L161-A227 HydrophobicContact CG-CB 4.4Å; E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 3.34Å; I224-A227 PolarHBondContact O-N 2.87Å; A227-R230 PolarHBondContact O-N 3.42Å; A227-L231 WeakPolarHBondContact O-CB 3.49Å; A227-L231 PolarHBondContact O-N 3Å; A227-W236 HydrophobicContact CB-CZ3 3.88Å
228L91.6Very high86.6Confident77 Ų7783 Ų8340%0.40341%0.412SS..Hα-helixtrans-64.8-38.6176-72.8174.7000111.9L166 I224 L231 R232L166-L228 HydrophobicContact CD1-CD2 4.04Å; I224-L228 HydrophobicContact CG2-CD1 3.76Å; I224-L228 HydrophobicContact CG2-CG 4.01Å; I224-L228 WeakPolarHBondContact O-CB 3.35Å; I224-L228 WeakPolarHBondContact O-CG 3.41Å; I224-L228 PolarHBondContact O-N 3.01Å; L228-L231 HydrophobicContact CD2-CD2 4.36Å; L228-L231 PolarHBondContact O-N 2.69Å; L228-R232 WeakPolarHBondContact O-CB 3.45Å; L228-R232 PolarHBondContact O-N 3.19Å
229H91.9Very high84.6Confident117 Ų11791.9 Ų91.954%0.54245%0.446SS..Hα-helixtrans-62.4-45.8173.9-177.469.8000111.4R225 V226 L231 R232 N233R225-H229 WeakPolarHBondContact O-CB 3.47Å; R225-H229 PolarHBondContact O-N 2.85Å; V226-H229 PolarHBondContact O-N 3.06Å; H229-L231 VanDerWaalsContact C-N 3.33Å; H229-L231 PolarHBondContact O-N 3.23Å; H229-R232 PolarHBondContact O-N 2.93Å; H229-N233 PolarHBondContact CD2-ND2 3.31Å; H229-N233 PolarHBondContact CE1-ND2 2.89Å; H229-N233 VanDerWaalsContact CE1-ND2 3.3Å; H229-N233 PolarHBondContact NE2-ND2 3.31Å; H229-N233 WeakPolarHBondContact O-CB 3.37Å; H229-N233 PolarHBondContact O-N 3.39Å; H229-N233 PolarHBondContact O-ND2 3.33Å; H229-N233 PolarHBondContact O-OD1 2.97Å
230R90.2Very high82.3Confident115 Ų11596.2 Ų96.243%0.43447%0.468SS..Hα-helixtrans-59.5-43.9173.8-70.9176.7-179-164.5-0.7111.9V226 A227 N233 G234 I235V226-R230 WeakPolarHBondContact O-CG 3.49Å; V226-R230 PolarHBondContact O-N 2.88Å; A227-R230 PolarHBondContact O-N 3.42Å; R230-N233 CarbonylContact O-C 3.57Å; R230-N233 PolarHBondContact O-N 2.94Å; R230-G234 PolarHBondContact O-N 3.29Å; R230-I235 HydrophobicContact CB-CB 4.43Å; R230-I235 PolarHBondContact O-N 3.08Å
231L88.1Confident79.5Confident45 Ų4596.1 Ų96.124%0.23647%0.467CS..Hα-helixtrans-60.4-46176.9176.661000112.1L170 A227 L228 H229 N233 G234 W236L170-L231 HydrophobicContact CD1-CD1 3.4Å; L170-L231 HydrophobicContact CD1-CD2 4.01Å; L170-L231 HydrophobicContact CD1-CG 4.36Å; L170-L231 HydrophobicContact CD2-CD1 4.31Å; L170-L231 HydrophobicContact CD2-CD2 4.36Å; L170-L231 HydrophobicContact CG-CD1 4.49Å; A227-L231 WeakPolarHBondContact O-CB 3.49Å; A227-L231 PolarHBondContact O-N 3Å; L228-L231 HydrophobicContact CD2-CD2 4.36Å; L228-L231 PolarHBondContact O-N 2.69Å; H229-L231 VanDerWaalsContact C-N 3.33Å; H229-L231 PolarHBondContact O-N 3.23Å; L231-N233 VanDerWaalsContact C-N 3.26Å; L231-N233 PolarHBondContact O-N 2.76Å; L231-G234 PolarHBondContact O-N 2.94Å; L231-G234 VanDerWaalsContact O-N 3.15Å; L231-W236 HydrophobicContact CB-CB 4.25Å; L231-W236 HydrophobicContact CB-CD2 4.36Å; L231-W236 HydrophobicContact CB-CE3 4.09Å; L231-W236 HydrophobicContact CB-CG 4.41Å; L231-W236 HydrophobicContact CD1-CB 3.65Å; L231-W236 HydrophobicContact CD1-CD2 4.14Å; L231-W236 HydrophobicContact CD1-CG 3.59Å
232R89.4Confident77.1Confident223 Ų22398.9 Ų98.984%0.84248%0.481SS*.Hα-helixtrans-64.1-31.9177.4-174.2173.2-179152.80.4112.7L228 H229 G234L228-R232 WeakPolarHBondContact O-CB 3.45Å; L228-R232 PolarHBondContact O-N 3.19Å; H229-R232 PolarHBondContact O-N 2.93Å; R232-G234 VanDerWaalsContact C-N 3.29Å
233N90.1Very high74.6Confident86 Ų8697 Ų9746%0.4648%0.481SS..THydrogen-bonded Turntrans-865.2177.9-59.8-8.5000113.3H229 R230 L231 I235H229-N233 PolarHBondContact CD2-ND2 3.31Å; H229-N233 PolarHBondContact CE1-ND2 2.89Å; H229-N233 VanDerWaalsContact CE1-ND2 3.3Å; H229-N233 PolarHBondContact NE2-ND2 3.31Å; H229-N233 WeakPolarHBondContact O-CB 3.37Å; H229-N233 PolarHBondContact O-N 3.39Å; H229-N233 PolarHBondContact O-ND2 3.33Å; H229-N233 PolarHBondContact O-OD1 2.97Å; R230-N233 CarbonylContact O-C 3.57Å; R230-N233 PolarHBondContact O-N 2.94Å; L231-N233 VanDerWaalsContact C-N 3.26Å; L231-N233 PolarHBondContact O-N 2.76Å; N233-I235 VanDerWaalsContact C-N 3.29Å; N233-I235 HydrophobicContact CB-CD1 4.13Å; N233-I235 HydrophobicContact CB-CG1 4.11Å; N233-I235 PolarHBondContact O-N 2.89Å
234G83.4Confident72.1Confident65 Ų6599 Ų9967%0.6749%0.49SS*.THydrogen-bonded Turntrans75.310.1179.500000115.4R230 L231 R232 W236R230-G234 PolarHBondContact O-N 3.29Å; L231-G234 PolarHBondContact O-N 2.94Å; L231-G234 VanDerWaalsContact O-N 3.15Å; R232-G234 VanDerWaalsContact C-N 3.29Å; G234-W236 PolarHBondContact O-N 3.11Å
235I79.4Confident69.5Low113 Ų113105.3 Ų105.358%0.57953%0.529SS*.  trans-93.235.4-178.1-41.5174.5000110.5R230 N233R230-I235 HydrophobicContact CB-CB 4.43Å; R230-I235 PolarHBondContact O-N 3.08Å; N233-I235 VanDerWaalsContact C-N 3.29Å; N233-I235 HydrophobicContact CB-CD1 4.13Å; N233-I235 HydrophobicContact CB-CG1 4.11Å; N233-I235 PolarHBondContact O-N 2.89Å
236W72Confident67.3Low45 Ų45102.6 Ų102.617%0.1753%0.529CS..  trans-117.2142.4-177.1-176.1-81.9000110.3L161 P167 A227 L231 G234 P238L161-W236 HydrophobicContact CD2-CH2 4.03Å; L161-W236 HydrophobicContact CD2-CZ3 4.36Å; P167-W236 HydrophobicContact CG-CZ2 3.62Å; A227-W236 HydrophobicContact CB-CZ3 3.88Å; L231-W236 HydrophobicContact CB-CB 4.25Å; L231-W236 HydrophobicContact CB-CD2 4.36Å; L231-W236 HydrophobicContact CB-CE3 4.09Å; L231-W236 HydrophobicContact CB-CG 4.41Å; L231-W236 HydrophobicContact CD1-CB 3.65Å; L231-W236 HydrophobicContact CD1-CD2 4.14Å; L231-W236 HydrophobicContact CD1-CG 3.59Å; G234-W236 PolarHBondContact O-N 3.11Å; W236-P238 HydrophobicContact CD2-CG 4.46Å; W236-P238 HydrophobicContact CE3-CG 3.84Å; W236-P238 HydrophobicContact CH2-CG 3.5Å; W236-P238 HydrophobicContact CZ2-CG 4.21Å; W236-P238 HydrophobicContact CZ3-CG 3.3Å
237P64.6Low64.9Low80 Ų80104.6 Ų104.652%0.51954%0.544SS..  cis-81.2144.97.130.4-32.7000114.3Y239P237-Y239 HydrophobicContact CG-CD2 4.49Å; P237-Y239 PolarHBondContact O-N 3.5Å
238P55.5Low62.5Low39 Ų39109.3 Ų109.325%0.25358%0.576SS.*  trans-68.394162.530.6-31.9000104.8W236 T240W236-P238 HydrophobicContact CD2-CG 4.46Å; W236-P238 HydrophobicContact CE3-CG 3.84Å; W236-P238 HydrophobicContact CH2-CG 3.5Å; W236-P238 HydrophobicContact CZ2-CG 4.21Å; W236-P238 HydrophobicContact CZ3-CG 3.3Å; P238-T240 PolarHBondContact O-N 3.38Å
239Y51.1Low60.1Low195 Ų195112.6 Ų112.677%0.76559%0.594SS**  trans-63.187.2166.5-128-84.4000106.7P237 S241P237-Y239 HydrophobicContact CG-CD2 4.49Å; P237-Y239 PolarHBondContact O-N 3.5Å; Y239-S241 VanDerWaalsContact CD1-OG 3.25Å; Y239-S241 WeakPolarHBondContact CD1-OG 3.5Å
240T42.7Very low58Low114 Ų114113.4 Ų113.470%0.69960%0.602SS**  trans-91.193.2147.849.70000103.9P238 E242P238-T240 PolarHBondContact O-N 3.38Å; T240-E242 PolarHBondContact O-N 2.83Å
241S33.2Very low55.7Low77 Ų77116.1 Ų116.154%0.53862%0.62SS.*  trans-49.2103.2170.4-57.90000108.6Y239 E243Y239-S241 VanDerWaalsContact CD1-OG 3.25Å; Y239-S241 WeakPolarHBondContact CD1-OG 3.5Å; S241-E243 PolarHBondContact O-N 2.93Å
242E44.5Very low53.4Low142 Ų142119.4 Ų119.466%0.66465%0.647SS**  trans-75.152.6151.2-55.6179.4-153.700107.3T240 Q244T240-E242 PolarHBondContact O-N 2.83Å; E242-Q244 PolarHBondContact O-N 3.11Å
243E40Very low51Low159 Ų159113.9 Ų113.974%0.74365%0.649SS**  trans-74.986.3160.3-174.2167.6-170.500105.2S241 T245S241-E243 PolarHBondContact O-N 2.93Å; E243-T245 VanDerWaalsContact C-N 3.31Å; E243-T245 PolarHBondContact O-N 3.22Å
244Q37.3Very low48.9Very low165 Ų165114.9 Ų114.977%0.77166%0.663SS**  trans24.870.1131-145.7173.499.800113.6E242 V246E242-Q244 PolarHBondContact O-N 3.11Å; Q244-V246 HydrophobicContact CG-CG2 3.94Å; Q244-V246 PolarHBondContact O-N 2.72Å
245T38.7Very low47.6Very low135 Ų135119.9 Ų119.983%0.82867%0.669SS**  trans-69.980.1158.355.20000106.1E243 P247E243-T245 VanDerWaalsContact C-N 3.31Å; E243-T245 PolarHBondContact O-N 3.22Å; T245-P247 WeakPolarHBondContact O-CD 3.38Å
246V47.9Very low46.4Very low95 Ų95124.5 Ų124.558%0.57669%0.688SS**  trans-55.4122.3153.1-1680000104.1Q244 S248Q244-V246 HydrophobicContact CG-CG2 3.94Å; Q244-V246 PolarHBondContact O-N 2.72Å; V246-S248 PolarHBondContact O-N 3.16Å
247P42Very low46Very low104 Ų104126.4 Ų126.468%0.67570%0.699SS**  trans-63.390.7166.7-12.727.7000105.7T245 D249T245-P247 WeakPolarHBondContact O-CD 3.38Å; P247-D249 PolarHBondContact O-N 3.25Å
248S38.3Very low46.7Very low105 Ų105126.5 Ų126.573%0.73470%0.695SS**  trans-75.489.2165.4-168.70000104.4V246 N250V246-S248 PolarHBondContact O-N 3.16Å; S248-N250 PolarHBondContact O-N 2.98Å
249D42.7Very low47.6Very low145 Ų145128.8 Ų128.878%0.77571%0.709SS**  trans-61.587164.6-66.5-33000107.1P247P247-D249 PolarHBondContact O-N 3.25Å
250N46.1Very low48.9Very low134 Ų134125.7 Ų125.772%0.71770%0.702SS**  trans-165.6107.1156.6-106.3-2.9000111.2S248S248-N250 PolarHBondContact O-N 2.98Å
251E42.8Very low50.7Low173 Ų173123.4 Ų123.481%0.80869%0.688SS**  trans58.799.2143.5-49.7-155.6164.800119.4
252S40.5Very low53Low113 Ų113123 Ų12379%0.7968%0.682SS**  170.1127.1105.1-75.30000110.8
253A38.2Very low54.5Low108 Ų108125.1 Ų125.189%0.89368%0.684SS**  trans-61129.4177.200000112.3
254S46.5Very low56.5Low107 Ų107123.7 Ų123.775%0.74868%0.675SS**  trans-154.599.7153.545.80000110.5
255E54.7Low58.7Low170 Ų170122.4 Ų122.479%0.79466%0.663SS**  trans45.797.3140.7-60.8175.6178.800118.4E257E255-E257 VanDerWaalsContact C-N 3.29Å; E255-E257 PolarHBondContact O-N 2.94Å
256Q55.2Low60.7Low209 Ų209118.2 Ų118.298%0.97764%0.643SS**  trans-60.895.2148.4-86.2-179.1-92.800108.2D258Q256-D258 PolarHBondContact O-N 2.93Å
257E63.7Low62.2Low86 Ų86120.1 Ų120.140%0.40265%0.649SS.*  trans-63.2127.3166.2-78.9-170.3148.600109.3E255 V262 R265E255-E257 VanDerWaalsContact C-N 3.29Å; E255-E257 PolarHBondContact O-N 2.94Å; E257-V262 HydrophobicContact CB-CG2 4.17Å; E257-R265 VanDerWaalsContact CD-NH1 3.33Å; E257-R265 IonicContact OE1-CZ 3.83Å; E257-R265 VanDerWaalsContact OE1-CZ 3.28Å; E257-R265 IonicContact OE1-NH1 3.01Å; E257-R265 PolarHBondContact OE1-NH1 2.88Å; E257-R265 IonicContact OE1-NH2 3.22Å; E257-R265 PolarHBondContact OE1-NH2 2.92Å; E257-R265 IonicContact OE2-CZ 3.73Å; E257-R265 IonicContact OE2-NH1 2.87Å; E257-R265 PolarHBondContact OE2-NH1 3.03Å
258D78.3Confident63.9Low82 Ų82122.7 Ų122.744%0.43965%0.652SS.*  trans-57.1129174.4-178.9-14.8000109.7Q256 E260 V261 V262Q256-D258 PolarHBondContact O-N 2.93Å; D258-E260 PolarHBondContact O-N 3.27Å; D258-E260 PolarHBondContact OD1-N 3.18Å; D258-V261 HydrophobicContact CB-CB 4.44Å; D258-V261 HydrophobicContact CB-CG2 3.97Å; D258-V261 WeakPolarHBondContact O-CA 3.44Å; D258-V261 WeakPolarHBondContact O-CB 3.33Å; D258-V261 PolarHBondContact O-N 2.99Å; D258-V262 PolarHBondContact O-N 2.9Å
259P75.6Confident65.8Low86 Ų86121.9 Ų121.956%0.55865%0.646SS**Hα-helixtrans-51.7-32.1177.621-34000113V261 V262 W263P259-V261 VanDerWaalsContact C-N 3.31Å; P259-V261 PolarHBondContact O-N 2.95Å; P259-V262 PolarHBondContact O-N 3.2Å; P259-W263 PolarHBondContact O-N 3.28Å
260E77Confident67.3Low130 Ų130118.9 Ų118.961%0.60763%0.633SS**Hα-helixtrans-64.7-32.8175-75.8-165.5173.600113.3D258 K264D258-E260 PolarHBondContact O-N 3.27Å; D258-E260 PolarHBondContact OD1-N 3.18Å; E260-K264 WeakPolarHBondContact O-CB 3.23Å; E260-K264 WeakPolarHBondContact O-CG 3.24Å; E260-K264 PolarHBondContact O-N 3.44Å
261V81Confident68.3Low66 Ų66116.5 Ų116.540%0.463%0.625SS.*Hα-helixtrans-72.6-38.5177.3177.60000110.6D258 P259 K264 R265D258-V261 HydrophobicContact CB-CB 4.44Å; D258-V261 HydrophobicContact CB-CG2 3.97Å; D258-V261 WeakPolarHBondContact O-CA 3.44Å; D258-V261 WeakPolarHBondContact O-CB 3.33Å; D258-V261 PolarHBondContact O-N 2.99Å; P259-V261 VanDerWaalsContact C-N 3.31Å; P259-V261 PolarHBondContact O-N 2.95Å; V261-K264 PolarHBondContact O-N 3.02Å; V261-R265 WeakPolarHBondContact O-CB 3.42Å; V261-R265 PolarHBondContact O-N 3.46Å
262V81.4Confident69.2Low69 Ų69115.3 Ų115.342%0.41862%0.619SS.*Hα-helixtrans-63.1-44.6174.1-179.80000110.8E257 D258 P259 R265 A266E257-V262 HydrophobicContact CB-CG2 4.17Å; D258-V262 PolarHBondContact O-N 2.9Å; P259-V262 PolarHBondContact O-N 3.2Å; V262-R265 PolarHBondContact O-N 3.32Å; V262-A266 WeakPolarHBondContact O-CB 3.45Å; V262-A266 PolarHBondContact O-N 3.42Å
263W76.6Confident69.9Low186 Ų186117.6 Ų117.671%0.70562%0.622SS**Hα-helixtrans-66.9-36.3176.3-72.7113.9000112.8P259 A266 L267P259-W263 PolarHBondContact O-N 3.28Å; W263-A266 PolarHBondContact O-N 2.94Å; W263-L267 PolarHBondContact O-N 3.08Å
264K82.7Confident70.7Confident129 Ų129117.5 Ų117.556%0.56161%0.611SS**Hα-helixtrans-64.7-47.6172.8-80.3179.2179.1176.20111.8E260 V261 A266 L267 E268E260-K264 WeakPolarHBondContact O-CB 3.23Å; E260-K264 WeakPolarHBondContact O-CG 3.24Å; E260-K264 PolarHBondContact O-N 3.44Å; V261-K264 PolarHBondContact O-N 3.02Å; K264-A266 PolarHBondContact O-N 3.03Å; K264-L267 PolarHBondContact O-N 2.96Å; K264-E268 WeakPolarHBondContact O-CB 3.25Å; K264-E268 PolarHBondContact O-N 3.48Å
265R82.3Confident71.1Confident138 Ų138118.6 Ų118.652%0.52161%0.607SS.*Hα-helixtrans-58.5-37175.4-172.8-177.1-72.1147.1-0.7111.8E257 V261 V262 E268 S269E257-R265 VanDerWaalsContact CD-NH1 3.33Å; E257-R265 IonicContact OE1-CZ 3.83Å; E257-R265 VanDerWaalsContact OE1-CZ 3.28Å; E257-R265 IonicContact OE1-NH1 3.01Å; E257-R265 PolarHBondContact OE1-NH1 2.88Å; E257-R265 IonicContact OE1-NH2 3.22Å; E257-R265 PolarHBondContact OE1-NH2 2.92Å; E257-R265 IonicContact OE2-CZ 3.73Å; E257-R265 IonicContact OE2-NH1 2.87Å; E257-R265 PolarHBondContact OE2-NH1 3.03Å; V261-R265 WeakPolarHBondContact O-CB 3.42Å; V261-R265 PolarHBondContact O-N 3.46Å; V262-R265 PolarHBondContact O-N 3.32Å; R265-E268 PolarHBondContact O-N 3.2Å; R265-S269 WeakPolarHBondContact O-CB 3.48Å; R265-S269 PolarHBondContact O-N 3.1Å; R265-S269 PolarHBondContact O-OG 3.42Å
266A81.9Confident70.8Confident48 Ų48117.6 Ų117.640%0.39761%0.607SS.*Hα-helixtrans-71-30.3175.700000113.7V262 W263 K264 S269V262-A266 WeakPolarHBondContact O-CB 3.45Å; V262-A266 PolarHBondContact O-N 3.42Å; W263-A266 PolarHBondContact O-N 2.94Å; K264-A266 PolarHBondContact O-N 3.03Å; A266-S269 PolarHBondContact O-OG 3.5Å
267L79.6Confident70Confident134 Ų134112.8 Ų112.870%0.70260%0.597SS**Hα-helixtrans-76.4-34.1173.3-85.4157.9000112.1W263 K264W263-L267 PolarHBondContact O-N 3.08Å; K264-L267 PolarHBondContact O-N 2.96Å
268E77.6Confident68.6Low159 Ų159115.1 Ų115.174%0.74362%0.617SS**Hα-helixtrans-82.4-20.2-178.1-140.6145.6-151.700112.5K264 R265 V270K264-E268 WeakPolarHBondContact O-CB 3.25Å; K264-E268 PolarHBondContact O-N 3.48Å; R265-E268 PolarHBondContact O-N 3.2Å; E268-V270 VanDerWaalsContact C-N 3.28Å
269S77Confident67.2Low88 Ų88120 Ų12062%0.61564%0.635SS**THydrogen-bonded Turntrans-81.3-2.2172.167.30000114.1R265 A266 P271R265-S269 WeakPolarHBondContact O-CB 3.48Å; R265-S269 PolarHBondContact O-N 3.1Å; R265-S269 PolarHBondContact O-OG 3.42Å; A266-S269 PolarHBondContact O-OG 3.5Å; S269-P271 WeakPolarHBondContact O-CD 3.5Å
270V74Confident65.5Low81 Ų81119.9 Ų119.949%0.49164%0.635SS.*SBendtrans-75.1120171.3-175.80000108E268 E272E268-V270 VanDerWaalsContact C-N 3.28Å; V270-E272 PolarHBondContact O-N 3.03Å; V270-E272 VanDerWaalsContact O-N 3.1Å
271P68.6Low64.1Low85 Ų85119.7 Ų119.755%0.55265%0.646SS**  trans-57.6119.5-178.218.3-27.9000111.1S269 D273 T274S269-P271 WeakPolarHBondContact O-CD 3.5Å; P271-D273 PolarHBondContact O-N 3.42Å; P271-T274 PolarHBondContact O-N 3.02Å; P271-T274 PolarHBondContact O-OG1 3.23Å
272E60.3Low62.7Low147 Ų147120 Ų12069%0.68765%0.65SS**G310 helixtrans-60.1-10.6-178.2-69.4-179.7145.300113.3V270 T274 I275V270-E272 PolarHBondContact O-N 3.03Å; V270-E272 VanDerWaalsContact O-N 3.1Å; E272-T274 PolarHBondContact O-N 3.24Å; E272-I275 WeakPolarHBondContact O-CG1 3.33Å
273D55.8Low61.6Low161 Ų161120 Ų12086%0.86165%0.651SS**G310 helixtrans-75.1-3179-59-22000113.6P271P271-D273 PolarHBondContact O-N 3.42Å
274T55.4Low60.6Low107 Ų107116.4 Ų116.466%0.65665%0.645SS**G310 helixtrans-99.5-9.1179.9-10.80000114.5P271 E272P271-T274 PolarHBondContact O-N 3.02Å; P271-T274 PolarHBondContact O-OG1 3.23Å; E272-T274 PolarHBondContact O-N 3.24Å
275I55.2Low59.4Low129 Ų129115.7 Ų115.766%0.66265%0.647SS**SBendtrans-98.3-2.7-171.445.6169.7000115.2E272E272-I275 WeakPolarHBondContact O-CG1 3.33Å
276N47.7Very low58.6Low149 Ų149112.9 Ų112.980%0.79764%0.643SS**SBendtrans-118.552178.1-63.2-26.3000112.2
277S39Very low57.9Low109 Ų109114.9 Ų114.976%0.76265%0.646SS**  trans-137.696.1161.3-148.20000110.3K279S277-K279 PolarHBondContact O-N 3.23Å
278T34.8Very low56.9Low134 Ų134115.8 Ų115.882%0.82264%0.641SS**  trans-49.4113.6172.451.80000111.1
279K47.7Very low56.1Low186 Ų186116.1 Ų116.181%0.80964%0.635SS**  trans-160.893.8150.9-105.7160.5-168.6-177.90109.3S277S277-K279 PolarHBondContact O-N 3.23Å
280S40.2Very low55.4Low82 Ų82118.8 Ų118.857%0.57364%0.636SS**  trans50.5120.9153-53.80000118.2S282 T283S280-S282 PolarHBondContact O-N 3.06Å; S280-T283 PolarHBondContact O-N 3.38Å
281P48.1Very low54.7Low127 Ų127121.3 Ų121.383%0.82564%0.642SS**THydrogen-bonded Turntrans-65.24.2177.526.1-31.7000114.8
282S51.5Low53.9Low71 Ų71126.6 Ų126.650%0.49765%0.651SS.*Hα-helixtrans-74.3-26.517354.20000113.5S280 L284 D286S280-S282 PolarHBondContact O-N 3.06Å; S282-L284 PolarHBondContact O-N 3.06Å; S282-D286 PolarHBondContact O-N 2.97Å
283T58.6Low53.6Low71 Ų71124.2 Ų124.244%0.43664%0.643SS.*Hα-helixtrans-75.7-27.7-171.9-43.70000113.3S280 D286 I287S280-T283 PolarHBondContact O-N 3.38Å; T283-D286 WeakPolarHBondContact O-CB 3.49Å; T283-D286 PolarHBondContact O-N 3.12Å; T283-I287 HydrophobicContact CG2-CD1 4.47Å; T283-I287 WeakPolarHBondContact O-CG1 3.11Å; T283-I287 PolarHBondContact O-N 2.96Å
284L55.1Low53.4Low109 Ų109124 Ų12457%0.57164%0.636SS**Hα-helixtrans-70.4-37.4-179.1-129.4173.7000111.9S282 D286 I287 Y288S282-L284 PolarHBondContact O-N 3.06Å; L284-D286 VanDerWaalsContact C-N 3.27Å; L284-D286 PolarHBondContact O-N 3.13Å; L284-I287 PolarHBondContact O-N 2.66Å; L284-Y288 HydrophobicContact CD2-CD2 3.64Å; L284-Y288 HydrophobicContact CD2-CE2 3.61Å; L284-Y288 WeakPolarHBondContact O-CD2 3.36Å; L284-Y288 PolarHBondContact O-N 3.38Å
285N56.9Low53.1Low114 Ų114127.7 Ų127.761%0.6164%0.644SS**Hα-helixtrans-66.4-31.2171.5-83.8-24.5000112.1R289N285-R289 WeakPolarHBondContact O-CB 3.41Å; N285-R289 PolarHBondContact O-N 3.3Å
286D65.4Low52.8Low80 Ų80127.8 Ų127.843%0.42865%0.646SS.*Hα-helixtrans-72.7-33.6174.8-72.6-25000112.4S282 T283 L284 K290S282-D286 PolarHBondContact O-N 2.97Å; T283-D286 WeakPolarHBondContact O-CB 3.49Å; T283-D286 PolarHBondContact O-N 3.12Å; L284-D286 VanDerWaalsContact C-N 3.27Å; L284-D286 PolarHBondContact O-N 3.13Å; D286-K290 WeakPolarHBondContact O-CB 3.32Å; D286-K290 VanDerWaalsContact O-CG 3.32Å; D286-K290 WeakPolarHBondContact O-CG 3.45Å; D286-K290 PolarHBondContact O-N 3.02Å
287I66.5Low52.5Low90 Ų90128.4 Ų128.446%0.46264%0.644SS.*Hα-helixtrans-65.8-49.7172.7-66.3165.2000109.6T283 L284 R289 K290 E291T283-I287 HydrophobicContact CG2-CD1 4.47Å; T283-I287 WeakPolarHBondContact O-CG1 3.11Å; T283-I287 PolarHBondContact O-N 2.96Å; L284-I287 PolarHBondContact O-N 2.66Å; I287-R289 VanDerWaalsContact C-N 3.33Å; I287-R289 PolarHBondContact O-N 3.13Å; I287-K290 PolarHBondContact O-N 3.11Å; I287-E291 PolarHBondContact O-N 3.33Å
288Y58.7Low52.6Low152 Ų152129.8 Ų129.860%0.59665%0.647SS**Hα-helixtrans-62.7-37.3176.9-91.1-76.6000113L284 W292L284-Y288 HydrophobicContact CD2-CD2 3.64Å; L284-Y288 HydrophobicContact CD2-CE2 3.61Å; L284-Y288 WeakPolarHBondContact O-CD2 3.36Å; L284-Y288 PolarHBondContact O-N 3.38Å; Y288-W292 PolarHBondContact O-N 2.92Å
289R60.8Low53.1Low166 Ų166131.8 Ų131.863%0.62665%0.645SS**Hα-helixtrans-73.3-35.8177.4-167.8-177.4-68.8-167.6-1112.2N285 I287 N293N285-R289 WeakPolarHBondContact O-CB 3.41Å; N285-R289 PolarHBondContact O-N 3.3Å; I287-R289 VanDerWaalsContact C-N 3.33Å; I287-R289 PolarHBondContact O-N 3.13Å; R289-N293 WeakPolarHBondContact O-CB 3.23Å; R289-N293 VanDerWaalsContact O-CG 3.28Å; R289-N293 PolarHBondContact O-N 3.4Å; R289-N293 PolarHBondContact O-ND2 3.5Å
290K64.1Low52.6Low145 Ų145129.7 Ų129.763%0.6364%0.642SS**Hα-helixtrans-70.8-39.9175.9-83177.6174.61760112.4D286 I287 W292 N293 H294D286-K290 WeakPolarHBondContact O-CB 3.32Å; D286-K290 VanDerWaalsContact O-CG 3.32Å; D286-K290 WeakPolarHBondContact O-CG 3.45Å; D286-K290 PolarHBondContact O-N 3.02Å; I287-K290 PolarHBondContact O-N 3.11Å; K290-W292 VanDerWaalsContact C-N 3.32Å; K290-W292 PolarHBondContact O-N 3Å; K290-N293 PolarHBondContact O-N 3.24Å; K290-H294 WeakPolarHBondContact O-CB 3.31Å; K290-H294 PolarHBondContact O-CD2 2.88Å; K290-H294 PolarHBondContact O-N 3.44Å
291E58.1Low52.5Low133 Ų133133.9 Ų133.962%0.62166%0.657SS**Hα-helixtrans-66.2-35.3176.4-76.4-162.7157.300112.6I287I287-E291 PolarHBondContact O-N 3.33Å
292W51.7Low52.1Low196 Ų196135.9 Ų135.974%0.74266%0.661SS**Hα-helixtrans-72.3-34.6174.8-100.961.4000113.3Y288 K290Y288-W292 PolarHBondContact O-N 2.92Å; K290-W292 VanDerWaalsContact C-N 3.32Å; K290-W292 PolarHBondContact O-N 3Å
293N53.7Low51.5Low97 Ų97135.9 Ų135.952%0.51967%0.672SS.*Hα-helixtrans-77.1-30178.4-73.7-18.4000112.8R289 K290 K295 N296R289-N293 WeakPolarHBondContact O-CB 3.23Å; R289-N293 VanDerWaalsContact O-CG 3.28Å; R289-N293 PolarHBondContact O-N 3.4Å; R289-N293 PolarHBondContact O-ND2 3.5Å; K290-N293 PolarHBondContact O-N 3.24Å; N293-K295 PolarHBondContact O-N 3Å; N293-N296 PolarHBondContact O-N 2.89Å; N293-N296 VanDerWaalsContact O-N 3.12Å
294H52Low50.5Low156 Ų156138.3 Ų138.372%0.72269%0.692SS**Hα-helixtrans-69-15.7179.3-99.3-70.2000114.8K290 N296K290-H294 WeakPolarHBondContact O-CB 3.31Å; K290-H294 PolarHBondContact O-CD2 2.88Å; K290-H294 PolarHBondContact O-N 3.44Å; H294-N296 VanDerWaalsContact C-N 3.35Å
295K49.6Very low49.8Very low186 Ų186142.9 Ų142.981%0.80971%0.708SS**THydrogen-bonded Turntrans-84.6-6.9172.9-91.6175.4176.8166.80114.3N293N293-K295 PolarHBondContact O-N 3Å
296N47.8Very low48.7Very low131 Ų131143.5 Ų143.570%0.70171%0.711SS**SBendtrans-112.210.5-172.2-63.7-15.1000113.8N293 H294N293-N296 PolarHBondContact O-N 2.89Å; N293-N296 VanDerWaalsContact O-N 3.12Å; H294-N296 VanDerWaalsContact C-N 3.35Å
297E41.2Very low47.9Very low162 Ų162147.1 Ų147.176%0.75773%0.729SS**  trans-138.364.6-175-149.8170.5-159.300112
298T42.6Very low46.8Very low137 Ų137151.1 Ų151.184%0.8475%0.745SS**  trans-125.2110.6153.652.30000108.9
299K44.5Very low45.8Very low177 Ų177148.5 Ų148.577%0.7775%0.75SS**  trans-44.5131.7178-69.1160.6178.6170.60113.2
300D38.3Very low45.1Very low141 Ų141146.2 Ų146.275%0.75476%0.756SS**  48.7102.7125.4-38.7-26.3000116.2
301L37.9Very low43.9Very low170 Ų170147 Ų14789%0.8976%0.762SS**  trans167.489.3136.6-86.9169.9000106.6
302N39.4Very low43.5Very low170 Ų170146.9 Ų146.991%0.90977%0.77SS**  trans-158.6121.9155.7-110.2-0.1000111.4
303G38.7Very low43.4Very low70 Ų70143.4 Ų143.472%0.72276%0.762SS**PPolyproline II helixtrans-61.3145.4176.800000112.7
304S38.4Very low43.3Very low122 Ų122144.3 Ų144.385%0.85377%0.773SS**PPolyproline II helixtrans-46.3125.4-176.3-61.80000115.4
305F39.8Very low42.9Very low206 Ų206138.9 Ų138.990%0.90475%0.753SS**PPolyproline II helixtrans-96.7118.1146.1-82.8-87.6000108
306N34.4Very low43.1Very low126 Ų126134.5 Ų134.567%0.67474%0.742SS**  trans-101.1107.1172.4-171.810.1000108.9
307I48.2Very low43.4Very low156 Ų156133.7 Ų133.780%0.875%0.746SS**  trans-130.4106.4157.5-61.3179.5000105.3S309I307-S309 PolarHBondContact O-N 3.44Å; I307-S309 VanDerWaalsContact O-N 3.16Å
308Q42.1Very low44.2Very low174 Ų174133.5 Ų133.581%0.81374%0.743SS**  trans-64110.6178.2-69.4172.14.500109.7
309S39.2Very low45.4Very low98 Ų98129.5 Ų129.569%0.68572%0.717SS**  trans-110.2142.1157-164.40000106.9I307 Q311I307-S309 PolarHBondContact O-N 3.44Å; I307-S309 VanDerWaalsContact O-N 3.16Å; S309-Q311 PolarHBondContact O-N 3.28Å; S309-Q311 VanDerWaalsContact O-N 3.07Å
310P45.2Very low46.1Very low117 Ų117127.4 Ų127.476%0.7671%0.708SS**  trans-56.5119.7-173.7-1930000110.1V312P310-V312 PolarHBondContact O-N 2.98Å
311Q38.2Very low47.8Very low163 Ų163126.5 Ų126.576%0.76270%0.699SS**  trans-55.4106.7177.1-81.7-169-2200110.1S309 Q313S309-Q311 PolarHBondContact O-N 3.28Å; S309-Q311 VanDerWaalsContact O-N 3.07Å; Q311-Q313 PolarHBondContact O-N 3.42Å; Q311-Q313 VanDerWaalsContact OE1-NE2 3.13Å
312V50.8Low49.7Very low129 Ų129120.9 Ų120.978%0.78267%0.674SS**  trans-87.395.1152.1-176.80000105P310P310-V312 PolarHBondContact O-N 2.98Å
313Q49.7Very low51.8Low123 Ų123119.6 Ų119.658%0.57566%0.657SS**  trans-47.5136.9167.4-70.6-80.2-3200108.6Q311 S315Q311-Q313 PolarHBondContact O-N 3.42Å; Q311-Q313 VanDerWaalsContact OE1-NE2 3.13Å; Q313-S315 PolarHBondContact O-N 2.94Å
314P51.5Low54Low117 Ų117118.7 Ų118.776%0.7664%0.642SS**  trans-69.185.1174.128.4-30000107.4T316P314-T316 PolarHBondContact O-N 3.35Å
315S43.3Very low56.3Low41 Ų41118.4 Ų118.429%0.28763%0.628SS.*  trans-61.4115.9170.845.60000106.8Q313 D319Q313-S315 PolarHBondContact O-N 2.94Å; S315-D319 VanDerWaalsContact CB-OD2 3.24Å; S315-D319 WeakPolarHBondContact CB-OD2 3.4Å; S315-D319 PolarHBondContact OG-OD2 2.8Å
316T53.6Low58.7Low95 Ų95118 Ų11858%0.58362%0.62SS**  trans3.7133.3164.158.90000115P314 F318 D319P314-T316 PolarHBondContact O-N 3.35Å; T316-F318 CarbonylContact O-C 3.6Å; T316-F318 PolarHBondContact O-N 3.35Å; T316-D319 WeakPolarHBondContact O-CB 3.35Å; T316-D319 PolarHBondContact O-N 3.03Å
317S54.1Low61.3Low113 Ų113117.3 Ų117.379%0.7962%0.616SS**Hα-helixtrans-43.6-26.4174.3128.90000114.5D319S317-D319 VanDerWaalsContact C-N 3.33Å; S317-D319 PolarHBondContact O-N 3.24Å
318F59.2Low63.6Low158 Ų158116.3 Ų116.369%0.69361%0.606SS**Hα-helixtrans-61.9-28.7172.4-168.8-105.4000115.5T316 S322T316-F318 CarbonylContact O-C 3.6Å; T316-F318 PolarHBondContact O-N 3.35Å; F318-S322 WeakPolarHBondContact O-CB 3.43Å; F318-S322 PolarHBondContact O-N 2.95Å; F318-S322 VanDerWaalsContact O-N 3.13Å; F318-S322 PolarHBondContact O-OG 3.47Å
319D66.3Low65.9Low54 Ų54117.3 Ų117.329%0.28960%0.602SS.*Hα-helixtrans-83-31.8-174.9-154.933.4000112.1S315 T316 S317 R323S315-D319 VanDerWaalsContact CB-OD2 3.24Å; S315-D319 WeakPolarHBondContact CB-OD2 3.4Å; S315-D319 PolarHBondContact OG-OD2 2.8Å; T316-D319 WeakPolarHBondContact O-CB 3.35Å; T316-D319 PolarHBondContact O-N 3.03Å; S317-D319 VanDerWaalsContact C-N 3.33Å; S317-D319 PolarHBondContact O-N 3.24Å; D319-R323 PolarHBondContact O-N 2.84Å; D319-R323 VanDerWaalsContact O-N 3.09Å
320F60Low68.4Low132 Ų132116 Ų11658%0.57959%0.587SS**Hα-helixtrans-67.7-44170.7-77.6-80.6000111.7S322 R323 A324F320-S322 VanDerWaalsContact C-N 3.29Å; F320-S322 PolarHBondContact O-N 3.03Å; F320-R323 PolarHBondContact O-N 3.47Å; F320-A324 PolarHBondContact O-N 3.02Å
321E74.5Confident70.4Confident122 Ų122112.9 Ų112.957%0.5757%0.571SS**Hα-helixtrans-62.4-40.1176.6-159.963-127.400110.5R323 A324 E325E321-R323 VanDerWaalsContact C-N 3.34Å; E321-R323 PolarHBondContact O-N 3.4Å; E321-A324 PolarHBondContact O-N 3.3Å; E321-E325 VanDerWaalsContact O-CB 3.24Å; E321-E325 WeakPolarHBondContact O-CB 3.43Å; E321-E325 PolarHBondContact O-N 2.96Å
322S77.8Confident73Confident53 Ų53110.2 Ų110.237%0.37156%0.562SS.*Hα-helixtrans-61.8-37.4175.2-64.40000113.1F318 F320 R326F318-S322 WeakPolarHBondContact O-CB 3.43Å; F318-S322 PolarHBondContact O-N 2.95Å; F318-S322 VanDerWaalsContact O-N 3.13Å; F318-S322 PolarHBondContact O-OG 3.47Å; F320-S322 VanDerWaalsContact C-N 3.29Å; F320-S322 PolarHBondContact O-N 3.03Å; S322-R326 VanDerWaalsContact O-CB 3.31Å; S322-R326 WeakPolarHBondContact O-CB 3.4Å; S322-R326 PolarHBondContact O-N 2.75Å
323R82Confident74.9Confident143 Ų143110 Ų11054%0.5455%0.552SS.*Hα-helixtrans-70.7-41.4173.4-78179.3178.9158.32.7112.3D319 F320 E321 R326 N327D319-R323 PolarHBondContact O-N 2.84Å; D319-R323 VanDerWaalsContact O-N 3.09Å; F320-R323 PolarHBondContact O-N 3.47Å; E321-R323 VanDerWaalsContact C-N 3.34Å; E321-R323 PolarHBondContact O-N 3.4Å; R323-R326 PolarHBondContact O-N 2.93Å; R323-N327 PolarHBondContact O-N 3.28Å
324A85.8Confident76.7Confident51 Ų51112.1 Ų112.142%0.42156%0.555SS.*Hα-helixtrans-64.4-44.7177.400000111.4F320 E321 N327 K328F320-A324 PolarHBondContact O-N 3.02Å; E321-A324 PolarHBondContact O-N 3.3Å; A324-N327 PolarHBondContact O-N 3.39Å; A324-K328 WeakPolarHBondContact O-CB 3.36Å; A324-K328 PolarHBondContact O-N 3.04Å
325E87.1Confident78.2Confident116 Ų116111.6 Ų111.654%0.54255%0.545SS..Hα-helixtrans-64.3-41.3176.6-168.7114.9-127.800111.7E321 K328 R329E321-E325 VanDerWaalsContact O-CB 3.24Å; E321-E325 WeakPolarHBondContact O-CB 3.43Å; E321-E325 PolarHBondContact O-N 2.96Å; E325-K328 WeakPolarHBondContact O-CB 3.4Å; E325-K328 PolarHBondContact O-N 2.84Å; E325-R329 PolarHBondContact O-N 3.42Å
326R90.3Very high80.3Confident198 Ų198112.5 Ų112.575%0.74756%0.555SS**Hα-helixtrans-62-44.7173.9-170.9-177.3-177.9101.30.4111.9S322 R323 R329 L330S322-R326 VanDerWaalsContact O-CB 3.31Å; S322-R326 WeakPolarHBondContact O-CB 3.4Å; S322-R326 PolarHBondContact O-N 2.75Å; R323-R326 PolarHBondContact O-N 2.93Å; R326-R329 PolarHBondContact O-N 2.99Å; R326-L330 WeakPolarHBondContact O-CB 3.3Å; R326-L330 PolarHBondContact O-N 2.95Å
327N88.8Confident81.8Confident111 Ų111110.4 Ų110.459%0.59455%0.548SS*.Hα-helixtrans-64.6-39176.5-83.1-25.3000112R323 A324 L330 A331R323-N327 PolarHBondContact O-N 3.28Å; A324-N327 PolarHBondContact O-N 3.39Å; N327-L330 PolarHBondContact O-N 2.73Å; N327-A331 WeakPolarHBondContact O-CB 3.47Å; N327-A331 PolarHBondContact O-N 2.88Å
328K95.9Very high83Confident135 Ų135113.6 Ų113.659%0.58754%0.542SS*.Hα-helixtrans-61.4-46.1174.6-174.7-179.5179.6-176.80111.6A324 E325 A331 L332A324-K328 WeakPolarHBondContact O-CB 3.36Å; A324-K328 PolarHBondContact O-N 3.04Å; E325-K328 WeakPolarHBondContact O-CB 3.4Å; E325-K328 PolarHBondContact O-N 2.84Å; K328-A331 PolarHBondContact O-N 2.91Å; K328-L332 WeakPolarHBondContact O-CG 3.45Å; K328-L332 PolarHBondContact O-N 2.87Å
329R91.4Very high84Confident194 Ų194114.3 Ų114.373%0.73255%0.545SS*.Hα-helixtrans-62.8-44.1176.7-172.3175.8177.6163.60.1112E325 R326 A331 L332 E333E325-R329 PolarHBondContact O-N 3.42Å; R326-R329 PolarHBondContact O-N 2.99Å; R329-A331 VanDerWaalsContact C-N 3.32Å; R329-A331 PolarHBondContact O-N 3.06Å; R329-L332 PolarHBondContact O-N 3.4Å; R329-E333 WeakPolarHBondContact O-CB 3.48Å; R329-E333 PolarHBondContact O-N 2.86Å
330L90.6Very high84.4Confident70 Ų70116 Ų11637%0.36656%0.561SS.*Hα-helixtrans-63-38.6177.2-163.683.9000111.8R326 N327 R334R326-L330 WeakPolarHBondContact O-CB 3.3Å; R326-L330 PolarHBondContact O-N 2.95Å; N327-L330 PolarHBondContact O-N 2.73Å; L330-R334 WeakPolarHBondContact O-CB 3.36Å; L330-R334 WeakPolarHBondContact O-CG 3.4Å; L330-R334 PolarHBondContact O-N 2.86Å
331A88.2Confident84.9Confident52 Ų52114.3 Ų114.343%0.4357%0.566SS.*Hα-helixtrans-65.9-41.117600000112.2N327 K328 R329 R334 L335N327-A331 WeakPolarHBondContact O-CB 3.47Å; N327-A331 PolarHBondContact O-N 2.88Å; K328-A331 PolarHBondContact O-N 2.91Å; R329-A331 VanDerWaalsContact C-N 3.32Å; R329-A331 PolarHBondContact O-N 3.06Å; A331-R334 PolarHBondContact O-N 2.87Å; A331-L335 PolarHBondContact O-N 3.07Å
332L93Very high84.4Confident107 Ų107114 Ų11456%0.5658%0.576SS**Hα-helixtrans-65.7-41.8175.6-73.3172.6000112.3K328 R329 L335 A336K328-L332 WeakPolarHBondContact O-CG 3.45Å; K328-L332 PolarHBondContact O-N 2.87Å; R329-L332 PolarHBondContact O-N 3.4Å; L332-L335 WeakPolarHBondContact O-CB 3.38Å; L332-L335 PolarHBondContact O-N 2.8Å; L332-A336 PolarHBondContact O-N 2.85Å
333E88.7Confident83.4Confident125 Ų125116.8 Ų116.858%0.58460%0.595SS**Hα-helixtrans-62.8-42.7175.8-174.3175.5-172.500111.7R329 L335 A336 A337R329-E333 WeakPolarHBondContact O-CB 3.48Å; R329-E333 PolarHBondContact O-N 2.86Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 3.01Å; E333-A336 PolarHBondContact O-N 2.88Å; E333-A337 PolarHBondContact O-N 3.37Å
334R87.7Confident81.8Confident167 Ų167112.8 Ų112.863%0.6360%0.599SS**Hα-helixtrans-60.8-38.6172.8-75.7175175.3160.9-0.7112.4L330 A331 R338L330-R334 WeakPolarHBondContact O-CB 3.36Å; L330-R334 WeakPolarHBondContact O-CG 3.4Å; L330-R334 PolarHBondContact O-N 2.86Å; A331-R334 PolarHBondContact O-N 2.87Å; R334-R338 WeakPolarHBondContact O-CG 3.19Å; R334-R338 PolarHBondContact O-N 2.88Å; R334-R338 VanDerWaalsContact O-N 3.13Å
335L83.4Confident79.9Confident106 Ų106115.7 Ų115.756%0.55561%0.611SS**Hα-helixtrans-66.8-41.8175-105174.7000111.9A331 L332 E333 R338 K339A331-L335 PolarHBondContact O-N 3.07Å; L332-L335 WeakPolarHBondContact O-CB 3.38Å; L332-L335 PolarHBondContact O-N 2.8Å; E333-L335 VanDerWaalsContact C-N 3.31Å; E333-L335 PolarHBondContact O-N 3.01Å; L335-R338 PolarHBondContact O-N 3.14Å; L335-K339 PolarHBondContact O-N 3.29Å
336A87.6Confident78Confident60 Ų60118.3 Ų118.350%0.49663%0.627SS.*Hα-helixtrans-62.9-44.5176.700000111.7L332 E333 R338 K339 S340L332-A336 PolarHBondContact O-N 2.85Å; E333-A336 PolarHBondContact O-N 2.88Å; A336-R338 VanDerWaalsContact C-N 3.3Å; A336-R338 PolarHBondContact O-N 3.26Å; A336-K339 PolarHBondContact O-N 3.01Å; A336-S340 PolarHBondContact O-N 2.96Å; A336-S340 PolarHBondContact O-OG 3.34Å
337A84.8Confident76.2Confident51 Ų51115.3 Ų115.342%0.42163%0.626SS.*Hα-helixtrans-62.1-35.9176.100000112.4E333 S340 S341E333-A337 PolarHBondContact O-N 3.37Å; A337-S340 PolarHBondContact O-OG 2.97Å; A337-S340 VanDerWaalsContact O-OG 3.12Å; A337-S341 VanDerWaalsContact O-CB 3.31Å; A337-S341 WeakPolarHBondContact O-CB 3.43Å; A337-S341 PolarHBondContact O-N 3.39Å; A337-S341 VanDerWaalsContact O-N 3.13Å; A337-S341 PolarHBondContact O-OG 3.13Å
338R80.5Confident73.8Confident180 Ų180118.2 Ų118.268%0.67964%0.642SS**Hα-helixtrans-67.5-36.8172.8-72.517670-166.81.4112R334 L335 A336 C342R334-R338 WeakPolarHBondContact O-CG 3.19Å; R334-R338 PolarHBondContact O-N 2.88Å; R334-R338 VanDerWaalsContact O-N 3.13Å; L335-R338 PolarHBondContact O-N 3.14Å; A336-R338 VanDerWaalsContact C-N 3.3Å; A336-R338 PolarHBondContact O-N 3.26Å; R338-C342 PolarHBondContact O-N 3.47Å
339K79.3Confident71.3Confident174 Ų174114.8 Ų114.876%0.75764%0.644SS**Hα-helixtrans-72-37.7179.9-162.8173.1-178.5-179.40112.5L335 A336L335-K339 PolarHBondContact O-N 3.29Å; A336-K339 PolarHBondContact O-N 3.01Å
340S75.2Confident68.7Low90 Ų90115 Ų11563%0.62965%0.651SS**Hα-helixtrans-71.3-33.3174.4590000112.6A336 A337 C342A336-S340 PolarHBondContact O-N 2.96Å; A336-S340 PolarHBondContact O-OG 3.34Å; A337-S340 PolarHBondContact O-OG 2.97Å; A337-S340 VanDerWaalsContact O-OG 3.12Å; S340-C342 VanDerWaalsContact C-N 3.31Å; S340-C342 PolarHBondContact O-N 3.22Å
341S70.6Confident66.8Low95 Ų95116.2 Ų116.266%0.66466%0.663SS**Hα-helixtrans-74.7-16.1-177.4-560000114.3A337A337-S341 VanDerWaalsContact O-CB 3.31Å; A337-S341 WeakPolarHBondContact O-CB 3.43Å; A337-S341 PolarHBondContact O-N 3.39Å; A337-S341 VanDerWaalsContact O-N 3.13Å; A337-S341 PolarHBondContact O-OG 3.13Å
342C62.5Low64.5Low117 Ų117121.8 Ų121.879%0.79168%0.68SS**THydrogen-bonded Turntrans-105.31.8-176-69.90000115R338 S340R338-C342 PolarHBondContact O-N 3.47Å; S340-C342 VanDerWaalsContact C-N 3.31Å; S340-C342 PolarHBondContact O-N 3.22Å
343S58.5Low62.4Low111 Ų111122.5 Ų122.578%0.77668%0.684SS**SBendtrans-106.420.6-177.6-167.60000114.2
344G48.7Very low60.5Low59 Ų59118.8 Ų118.861%0.60867%0.672SS**  trans-113.6102.4-175.800000113.1
345T44.9Very low59.3Low111 Ų111116.1 Ų116.168%0.68167%0.674SS**  trans74.687.3144.2-44.20000117.6N347T345-N347 HydrophobicContact CG2-CB 3.78Å; T345-N347 WeakPolarHBondContact CG2-ND2 3.48Å; T345-N347 PolarHBondContact O-N 3.06Å
346I47.9Very low58.4Low171 Ų171116 Ų11688%0.87767%0.674SS**  trans-60.3109.4138.80175.3000107
347N51.8Low57.4Low136 Ų136118 Ų11873%0.72767%0.673SS**  trans-152133.5159.8-84.7-35.7000109.6T345T345-N347 HydrophobicContact CG2-CB 3.78Å; T345-N347 WeakPolarHBondContact CG2-ND2 3.48Å; T345-N347 PolarHBondContact O-N 3.06Å
348N39.3Very low56.6Low172 Ų172121.1 Ų121.192%0.9268%0.681SS**  trans-58.5127.2-172-60.4-40.6000112.8
349G43Very low56.1Low63 Ų63118.5 Ų118.565%0.64968%0.68SS**  trans174.5107.9173.100000108.2P351G349-P351 WeakPolarHBondContact O-CD 3.26Å
350K36.9Very low55.7Low198 Ų198117 Ų11786%0.86167%0.674SS**  trans-65.8119.2178.2-158.2163.2-173.1170.70108.1
351P49.6Very low55.6Low96 Ų96118.2 Ų118.262%0.62367%0.673SS**  trans-124.2114136.935.2-29000109.3G349 L353G349-P351 WeakPolarHBondContact O-CD 3.26Å; P351-L353 HydrophobicContact CB-CD1 4.36Å; P351-L353 PolarHBondContact O-N 3.35Å
352Q40.7Very low55.7Low168 Ų168116.5 Ų116.579%0.78566%0.664SS**  trans-57.788.4158.2-89.4-86.36.700108.3
353L49.3Very low56.1Low122 Ų122116.6 Ų116.664%0.63966%0.657SS**  trans-122.591.7167-79.5167.4000107.5P351 T355P351-L353 HydrophobicContact CB-CD1 4.36Å; P351-L353 PolarHBondContact O-N 3.35Å; L353-T355 PolarHBondContact O-N 3.29Å
354S48.4Very low56.9Low48 Ų48118.9 Ų118.934%0.33665%0.653SS.*  trans-25.7118.9168.4168.20000112.8N356 H357S354-N356 PolarHBondContact O-N 2.94Å; S354-N356 PolarHBondContact OG-ND2 3.44Å; S354-H357 PolarHBondContact O-N 3.36Å
355T62.7Low58Low110 Ų110118.7 Ų118.768%0.67565%0.645SS**Hα-helixtrans-47.9-19.2174.319.10000113.7L353L353-T355 PolarHBondContact O-N 3.29Å
356N65.1Low58.9Low105 Ų105116.7 Ų116.756%0.56164%0.64SS**Hα-helixtrans-70.4-25.8175.1-64.3-70.3000114.1S354 K360S354-N356 PolarHBondContact O-N 2.94Å; S354-N356 PolarHBondContact OG-ND2 3.44Å; N356-K360 WeakPolarHBondContact O-CB 2.95Å; N356-K360 WeakPolarHBondContact O-CG 3.43Å; N356-K360 PolarHBondContact O-N 2.89Å
357H65.5Low59.8Low102 Ų102113 Ų11347%0.47263%0.625SS.*Hα-helixtrans-81.8-33.3-179.9-64.5-42.9000112.8S354 K360 N361S354-H357 PolarHBondContact O-N 3.36Å; H357-K360 PolarHBondContact O-N 2.91Å; H357-N361 PolarHBondContact O-N 3.38Å
358I69Low60.3Low116 Ų116111.1 Ų111.160%0.59562%0.622SS**Hα-helixtrans-66.5-43.8177.9-63168.8000110.2N361 A362I358-N361 PolarHBondContact O-N 2.97Å; I358-A362 WeakPolarHBondContact O-CB 3.45Å; I358-A362 PolarHBondContact O-N 2.91Å
359L70.1Confident60.9Low125 Ų125108.2 Ų108.265%0.65461%0.611SS**Hα-helixtrans-68.9-35.8176.2-67.4175.4000112.7L363L359-L363 VanDerWaalsContact O-CB 3.3Å; L359-L363 WeakPolarHBondContact O-CB 3.38Å; L359-L363 PolarHBondContact O-N 3.17Å
360K70.9Confident61.4Low143 Ų143111.5 Ų111.562%0.62261%0.612SS**Hα-helixtrans-65.3-41175.1-87.6177.9176.9173.60112.6N356 H357 K364N356-K360 WeakPolarHBondContact O-CB 2.95Å; N356-K360 WeakPolarHBondContact O-CG 3.43Å; N356-K360 PolarHBondContact O-N 2.89Å; H357-K360 PolarHBondContact O-N 2.91Å; K360-K364 VanDerWaalsContact O-CB 3.23Å; K360-K364 WeakPolarHBondContact O-CB 3.36Å; K360-K364 PolarHBondContact O-N 3.12Å
361N73.3Confident62.1Low114 Ų114107.2 Ų107.261%0.6161%0.605SS**Hα-helixtrans-72.1-37.7178.3-73-10.7000111.7H357 I358 K364 A365H357-N361 PolarHBondContact O-N 3.38Å; I358-N361 PolarHBondContact O-N 2.97Å; N361-K364 PolarHBondContact O-N 2.97Å; N361-A365 WeakPolarHBondContact O-CB 3.23Å; N361-A365 PolarHBondContact O-N 3.49Å
362A71.9Confident62.1Low59 Ų59108.9 Ų108.949%0.48862%0.616SS.*Hα-helixtrans-63.6-42173.600000112.4I358 A366I358-A362 WeakPolarHBondContact O-CB 3.45Å; I358-A362 PolarHBondContact O-N 2.91Å; A362-A366 PolarHBondContact O-N 3.44Å; A362-A366 VanDerWaalsContact O-N 3.11Å
363L71.3Confident62Low120 Ų120108.5 Ų108.563%0.62862%0.618SS**Hα-helixtrans-73.1-34.3178.5-154.5151.5000111.7L359 A366 V367L359-L363 VanDerWaalsContact O-CB 3.3Å; L359-L363 WeakPolarHBondContact O-CB 3.38Å; L359-L363 PolarHBondContact O-N 3.17Å; L363-A366 PolarHBondContact O-N 2.84Å; L363-V367 HydrophobicContact CD2-CG2 3.99Å; L363-V367 WeakPolarHBondContact O-CG2 3.31Å; L363-V367 PolarHBondContact O-N 2.82Å; L363-V367 VanDerWaalsContact O-N 3.08Å
364K74.9Confident61.5Low159 Ų159107.3 Ų107.369%0.69162%0.62SS**Hα-helixtrans-67.5-36.3174.6-166.6168.5-177.5-175.60112.5K360 N361 S368K360-K364 VanDerWaalsContact O-CB 3.23Å; K360-K364 WeakPolarHBondContact O-CB 3.36Å; K360-K364 PolarHBondContact O-N 3.12Å; N361-K364 PolarHBondContact O-N 2.97Å; K364-S368 PolarHBondContact O-N 3.32Å
365A70.9Confident61.1Low54 Ų54115.2 Ų115.245%0.44665%0.649SS.*Hα-helixtrans-69.8-34.2173.200000112.7N361 S368 T369N361-A365 WeakPolarHBondContact O-CB 3.23Å; N361-A365 PolarHBondContact O-N 3.49Å; A365-S368 PolarHBondContact O-OG 2.99Å; A365-T369 PolarHBondContact O-OG1 3.16Å
366A65.2Low60.2Low70 Ų70114.8 Ų114.858%0.57966%0.656SS**Hα-helixtrans-70.9-31.6176.500000113.1A362 L363A362-A366 PolarHBondContact O-N 3.44Å; A362-A366 VanDerWaalsContact O-N 3.11Å; L363-A366 PolarHBondContact O-N 2.84Å
367V65.6Low59Low94 Ų94117.3 Ų117.357%0.5767%0.669SS**Hα-helixtrans-83.1-25.5178.9175.90000112.5L363 T369L363-V367 HydrophobicContact CD2-CG2 3.99Å; L363-V367 WeakPolarHBondContact O-CG2 3.31Å; L363-V367 PolarHBondContact O-N 2.82Å; L363-V367 VanDerWaalsContact O-N 3.08Å; V367-T369 VanDerWaalsContact C-N 3.33Å; V367-T369 PolarHBondContact O-N 3.42Å
368S62.2Low57.8Low95 Ų95118.1 Ų118.166%0.66468%0.682SS**THydrogen-bonded Turntrans-82.9-2.9178.477.50000114.8K364 A365K364-S368 PolarHBondContact O-N 3.32Å; A365-S368 PolarHBondContact O-OG 2.99Å
369T52.4Low56.6Low112 Ų112118.1 Ų118.169%0.68769%0.688SS**THydrogen-bonded Turntrans-102.624.6-177.4-46.10000112.4A365 V367 P371A365-T369 PolarHBondContact O-OG1 3.16Å; V367-T369 VanDerWaalsContact C-N 3.33Å; V367-T369 PolarHBondContact O-N 3.42Å; T369-P371 WeakPolarHBondContact O-CD 3.48Å
370I54Low55.3Low131 Ų131121.4 Ų121.467%0.67270%0.696SS**  trans-94.8106.9168.5-53.9174000107
371P51Low54.1Low109 Ų109119.6 Ų119.671%0.70870%0.702SS**PPolyproline II helixtrans-70.2131.5178.128.5-30.6000109.4T369 L373T369-P371 WeakPolarHBondContact O-CD 3.48Å; P371-L373 PolarHBondContact O-N 3.34Å
372P49.1Very low52.2Low130 Ų130123.5 Ų123.584%0.84471%0.714SS**PPolyproline II helixtrans-73.1118.5172.128.9-30.1000109.2
373L39Very low51.2Low160 Ų160125.8 Ų125.884%0.83872%0.724SS**PPolyproline II helixtrans-80.5124.6174.3-17266.2000109.9P371P371-L373 PolarHBondContact O-N 3.34Å
374S40Very low49.9Very low98 Ų98126.8 Ų126.869%0.68573%0.73SS**  trans64.1112.4158.866.50000119.1
375K39.2Very low48.7Very low214 Ų214124.6 Ų124.693%0.9373%0.734SS**  -177.9102.1119.5-93.3177.8-167.5-173.40108.3
376A44.5Very low47.6Very low101 Ų101127.1 Ų127.184%0.83575%0.746SS**  trans-149.397.5164.800000107.9
377D38.8Very low46.7Very low157 Ų157129 Ų12984%0.8475%0.75SS**  trans-92154.9155.5-86.2-40.8000108.5
378T41.5Very low45.6Very low119 Ų119131 Ų13173%0.7376%0.757SS**  trans105.896.4153-45.80000116.5
379T42Very low44.7Very low117 Ų117133.3 Ų133.372%0.71876%0.762SS**  trans83.2110.7137.967.20000119.6
380K43.8Very low44.3Very low193 Ų193137.1 Ų137.184%0.83977%0.769SS**  169.5130.699.6-93.2-177177.3176.70112.3
381S45.2Very low43.9Very low105 Ų105139 Ų13973%0.73478%0.78SS**  trans61.8102.6144.161.30000121.5
382F34Very low43.4Very low197 Ų197141.2 Ų141.286%0.86479%0.786SS**  6.4153119.3-73.8-79.5000118.9
383P51.8Low43.3Very low107 Ų107141.5 Ų141.570%0.69579%0.786SS**  cis-153.91674842.4-20000120.8
384D43.6Very low43.5Very low141 Ų141142 Ų14275%0.75479%0.789SS**  trans82.2110138.1-65.6-10.6000126.2
385S48.4Very low43.9Very low112 Ų112143.1 Ų143.178%0.78379%0.791SS**  104.9156.5123.293.60000119.2
386P49.4Very low44.1Very low107 Ų107138.1 Ų138.170%0.69578%0.783SS**  -138.6-173.6-92.131.7-7.7000114.8
387V44.8Very low44.6Very low110 Ų110140.2 Ų140.267%0.66778%0.779SS**  trans73.1116.2158.9-138.30000114.4
388N43.2Very low45.2Very low135 Ų135139.7 Ų139.772%0.72278%0.776SS**  -175.8126.586.8-64.6-32.9000111.5
389N44.2Very low45.6Very low144 Ų144141.3 Ų141.377%0.7778%0.779SS**  trans67.5106.1134.6-51.4-14.3000121.5
390K42.3Very low46.1Very low192 Ų192141.2 Ų141.284%0.83578%0.78SS**  70.9108114.9-151.4174.7-170.7-175.70117.2
391L46.1Very low45.8Very low171 Ų171138.4 Ų138.490%0.89578%0.783SS**  175.5115.4123-88.7164.7000109.5
392D40.1Very low45.8Very low156 Ų156137.9 Ų137.983%0.83478%0.779SS**  trans-66.5146.6169.2-67.6-54.7000111.6
393T48.6Very low46Very low136 Ų136137.7 Ų137.783%0.83478%0.781SS**  trans-175.997.5132.831.30000108.2
394D41.7Very low45.5Very low171 Ų171140 Ų14091%0.91479%0.788SS**  trans-88.9131.6159.5-85.6-37.1000108.7
395V48.9Very low45.2Very low120 Ų120137.1 Ų137.173%0.72778%0.784SS**  trans-117.796.9171174.40000106.9I397V395-I397 HydrophobicContact CG1-CD1 4.22Å; V395-I397 HydrophobicContact CG1-CG1 3.87Å
396S43.4Very low44.7Very low109 Ų109138.9 Ų138.976%0.76278%0.784SS**  trans-87.4126.6157.6-870000108.3
397I54.4Low44.4Very low145 Ų145140.4 Ų140.474%0.74479%0.792SS**  trans-106.2101.8170.8-63.4170.9000106.2V395V395-I397 HydrophobicContact CG1-CD1 4.22Å; V395-I397 HydrophobicContact CG1-CG1 3.87Å
398D51.5Low44.1Very low146 Ų146142.7 Ų142.778%0.78180%0.8SS**PPolyproline II helixtrans-90.5134.6164.3-74-46.1000109.4
399I49.5Very low43.9Very low154 Ų154145.5 Ų145.579%0.7981%0.806SS**PPolyproline II helixtrans-84.8122.1176.9-62.6168.8000107.9
400P53.5Low43.8Very low115 Ų115144.2 Ų144.275%0.74780%0.799SS**PPolyproline II helixtrans-82.2121.3175.230.3-30.4000111.3
401C38.2Very low43.7Very low134 Ų134142.2 Ų142.291%0.90580%0.797SS**PPolyproline II helixtrans-81.6118.9152.1-80.40000107.8
402S43.7Very low43.6Very low93 Ų93138.6 Ų138.665%0.6579%0.792SS**  trans-122114.3165.466.70000109.9
403E39.9Very low43.8Very low194 Ų194136.9 Ų136.991%0.90779%0.793SS**  trans-57.9129.7153-78.9171.713100109.1
404N39.6Very low43.5Very low154 Ų154136.3 Ų136.382%0.82479%0.789SS**  trans-117.3107160-74.6-31000106.8
405A38.8Very low43.4Very low81 Ų81138 Ų13867%0.66979%0.788SS**  trans-91.9154.7160.200000109.4
406D37.9Very low42.9Very low149 Ų149138 Ų13880%0.79779%0.789SS**  trans8294.4159.4-52.6-25.9000119.2
407T41.6Very low43.1Very low140 Ų140140.5 Ų140.586%0.85979%0.792SS**  -153.3106.1128.4420000111.2
408L39.1Very low42.5Very low158 Ų158139.2 Ų139.283%0.82779%0.791SS**  trans25.1113.7142-66164.3000119.3
409F40Very low42.5Very low194 Ų194140.6 Ų140.685%0.85179%0.792SS**  trans-155.997.8137.3-130.9-93.6000111.4
410N40.8Very low42.5Very low116 Ų116140.1 Ų140.162%0.6279%0.792SS**  37125.4129.8-72.6-11.6000120.8
411N40.4Very low42.1Very low150 Ų150141.6 Ų141.680%0.80279%0.793SS**  trans103.997.9145.8-47-26.1000117.1
412A44.1Very low42.7Very low96 Ų96144 Ų14479%0.79379%0.791SS**  162.2130.2110.400000113.3
413S43.4Very low42.6Very low120 Ų120147.8 Ų147.884%0.83980%0.798SS**  trans65.495.8147-64.30000120.8
414T42.8Very low43.3Very low123 Ų123144.7 Ų144.776%0.75579%0.793SS**  trans-41.6133148.3-37.60000113.6
415F39.7Very low44.1Very low207 Ų207142.7 Ų142.791%0.90879%0.788SS**  trans-162.8112.1134.7-104.4-74.5000109.8
416T38.8Very low45.1Very low121 Ų121144.4 Ų144.474%0.74279%0.792SS**  trans-90.2129.7171.4450000109.8
417I46.5Very low45.4Very low161 Ų161146.2 Ų146.283%0.82679%0.793SS**  trans-137.3110.1154-62.9-178.4000108
418T42.1Very low45.8Very low117 Ų117145.4 Ų145.472%0.71878%0.783SS**  trans-84.3137160.842.60000109.3
419H52.8Low46.2Very low175 Ų175145.7 Ų145.781%0.8178%0.78SS**  trans-176.8105.9141.4-92-65.9000106.4
420D49.7Very low46.6Very low145 Ų145145 Ų14578%0.77578%0.78SS**  87.1133.578.3-140.30.3000113.3
421N44.6Very low47.2Very low145 Ų145145 Ų14578%0.77578%0.784SS**  trans-81.4148.6-166.6-63.6-68.2000112.4
422H49.8Very low47.8Very low186 Ų186143.5 Ų143.586%0.86178%0.783SS**  trans-164.7133.1136.4-117.6-77.4000112.6
423E42.2Very low48.5Very low171 Ų171144.2 Ų144.280%0.79979%0.788SS**  trans-56.2153.8168.1-77.7164.1111.200113.5
424T54Low48.9Very low129 Ų129144 Ų14479%0.79179%0.787SS**  153.3126.4122.3-54.70000111.6
425P57.8Low49.7Very low112 Ų112142.9 Ų142.973%0.72778%0.782SS**  trans-112.4-164.716141.8-29.9000109.9
426P58.8Low50Low117 Ų117140.1 Ų140.176%0.7678%0.776SS**  cis-131.8178.1-18.434.7-15000113.6
427F44.8Very low50.6Low187 Ų187144.5 Ų144.582%0.8279%0.785SS**  trans-165.3112.6155.3-137.7-108.2000109
428L48.7Very low50.3Low123 Ų123142 Ų14264%0.64478%0.782SS**  57.4136.9101.6-70-179.8000113.9
429E48.9Very low50.9Low165 Ų165141.8 Ų141.877%0.77178%0.782SS**  cis-177174.94.8-176.3167.2-167.400106.7
430E47.6Very low50.7Low179 Ų179138.7 Ų138.784%0.83678%0.781SS**  trans89.9133.8168.9-61-163.2136.100119.5
431T54.3Low50.8Low116 Ų116138.5 Ų138.571%0.71278%0.784SS**  cis-169.2144.5-19.4-64.80000106.1
432P53.1Low50.7Low119 Ų119139 Ų13977%0.77379%0.786SS**  trans-107.3158177.637.7-28.8000113.8
433A57.9Low50.9Low110 Ų110139.2 Ų139.291%0.90979%0.787SS**  trans-154.8137.7161.900000113.3
434S53Low50.9Low115 Ų115139.6 Ų139.680%0.80479%0.789SS**  trans-114.2-158.6-172.8-151.10000109
435P58.8Low50.9Low100 Ų100139.8 Ų139.865%0.64979%0.79SS**  -127.6-171.6-63.729.3-7.9000114.4
436D45.1Very low50.5Low150 Ų150138.2 Ų138.280%0.80279%0.786SS**  trans78.7113.7148.5-72.5-15.7000123.6
437K52.6Low50.2Low212 Ų212138.3 Ų138.392%0.92279%0.79SS**  -173.6120.6127.1-113.4172.6179.9177.60113.9
438S40.5Very low50.9Low109 Ų109134.5 Ų134.576%0.76278%0.784SS**  trans-93.7-172.3161.150.40000110.9
439P54Low50.8Low112 Ų112136 Ų13673%0.72779%0.793SS**  cis-132.8-170.1-32.127.5-4000113.5
440S47.8Very low51.1Low110 Ų110134.9 Ų134.977%0.76979%0.787SS**  trans91.3123.7154.9-600000119.6
441V52.4Low51.5Low141 Ų141132.8 Ų132.886%0.85578%0.777SS**  -179.8131.5113.1157.20000110
442L42.8Very low51.9Low156 Ų156133.1 Ų133.182%0.81778%0.775SS**  trans-67.6153.2173.6-68.2158.8000112.2
443H52.9Low51.8Low191 Ų191135.4 Ų135.488%0.88478%0.775SS**  -171.8126.2128.2-104.5-75.9000112.1
444E42.6Very low52.1Low178 Ų178136 Ų13683%0.83277%0.772SS**  trans-92.3132174.8169.4-169.6167.900109.5
445V54.7Low52.2Low133 Ų133137.7 Ų137.781%0.80677%0.773SS**  trans-155.3106156.8-171.90000111.8
446A48.6Very low52.3Low80 Ų80140.5 Ų140.566%0.66178%0.781SS**  43.3121.2127.200000123.7
447S53.7Low52.8Low119 Ų119140.9 Ų140.983%0.83278%0.781SS**  88.6154.1111.8-76.50000123.6
448P59.4Low53.6Low106 Ų106138 Ų13869%0.68878%0.775SS**  trans-118171.3-141.843.5-31.5000114.4
449N46.8Very low54.5Low156 Ų156139.7 Ų139.783%0.83478%0.775SS**  trans-167.4150.9170.7-79-39.8000106.4
450H54.7Low54.8Low140 Ų140142.1 Ų142.165%0.64878%0.781SS**  cis-177.4143.513.1-139.83.2000108.3
451E56.2Low55.3Low136 Ų136148.1 Ų148.164%0.63680%0.804SS**  trans56.6151.8143.3-12.2-159.410700122
452D61.4Low55.5Low123 Ų123148.5 Ų148.566%0.65880%0.802SS**  cis-155.9149.226.9-101.8-44.4000112.7
453E51.9Low56.1Low167 Ų167148.1 Ų148.178%0.7880%0.801SS**  trans29.1129.7143.6-59.3-167.6157.800122.8
454S64.3Low56.3Low122 Ų122145.7 Ų145.785%0.85380%0.797SS**  -178.4122.7112.5-69.50000111
455D54.4Low57.1Low151 Ų151143.8 Ų143.881%0.80780%0.795SS**  trans-56.6153.5178.7-60.7-58.3000115.5
456L60.5Low57.3Low158 Ų158144.4 Ų144.483%0.82779%0.794SS**  -176.2101.2128.7-96.5155000110.7I458L456-I458 HydrophobicContact CD2-CG1 4.47Å
457I56.4Low57.9Low158 Ų158148.7 Ų148.781%0.8180%0.803SS**  trans-88.4135159.9-70166.6000107
458I68.6Low58.2Low153 Ų153150.9 Ų150.979%0.78580%0.801SS**  trans-136.5112160.3-36.3172.3000106.6L456L456-I458 HydrophobicContact CD2-CG1 4.47Å
459D59.6Low58.1Low144 Ų144154.3 Ų154.377%0.7781%0.809SS**  trans-132.7152.8164.8-109.2-20.2000106.5
460L60.7Low59Low162 Ų162154.2 Ų154.285%0.84881%0.807SS**  trans9998.6177.2-66.5136000116.4
461D59.2Low59.4Low236 Ų236155.5 Ų155.5100%1.26282%0.822SS**  -151089.4-101.3-19.9000111.2

Retrieved 461 of 461 residues in 112.6 ms (Link to these results)