A0A087XB65_POEFO Loading...

Synaptopodin 2

AlphaFold DB , UniProt , Accession A0A087XB65, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 969 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M26.8Very low36.6Very low244 Ų244138.7 Ų138.7100%1.20277%0.773SS**  01550-98.371.4114.700109
2E35.3Very low37.2Very low147 Ų147138 Ų13869%0.68778%0.779SS**  trans-57.7179.5157.6-96.8177.6114.500113.2Q4E2-Q4 WeakPolarHBondContact OE1-CG 3.29Å; E2-Q4 PolarHBondContact OE1-NE2 3.18Å
3P57.9Low36.8Very low119 Ų119139.3 Ų139.377%0.77378%0.781SS**  cis-112.8169.917.56.820.3000115
4Q35.7Very low36.4Very low154 Ų154146.9 Ų146.972%0.7279%0.792SS**  69.9145.355.8-60.7-153.317.300115.5E2E2-Q4 WeakPolarHBondContact OE1-CG 3.29Å; E2-Q4 PolarHBondContact OE1-NE2 3.18Å
5A36.9Very low36.1Very low72 Ų72144.9 Ų144.960%0.59579%0.794SS**  cis-169.9171.1-14.600000111.4
6E36.6Very low35.7Very low191 Ų191140.7 Ų140.789%0.89379%0.794SS**  trans59.4159.5155.1-73.8171.1-149.600121
7D37.3Very low35.4Very low133 Ų133138.1 Ų138.171%0.71179%0.787SS**  cis-165.5162.7-25.1178.747000111.2
8S34.3Very low35.3Very low99 Ų99140.8 Ų140.869%0.69279%0.792SS**  trans58154.5160.3-78.30000120.6
9A35.1Very low35.1Very low71 Ų71137.3 Ų137.359%0.58779%0.79SS**  cis-169.9179.3-22.600000106.8
10H32.6Very low35Very low181 Ų181136.5 Ų136.584%0.83879%0.793SS**  cis-142.7-167.15.8-79.3-77.9000109.8
11S33.9Very low34.7Very low115 Ų115138 Ų13880%0.80479%0.792SS**  trans-146.4171.2164.1-58.10000110.4
12P44.3Very low34.7Very low130 Ų130133.1 Ų133.184%0.84477%0.767SS**  -148.717188.539.5-21.9000116.6
13L32.2Very low34.4Very low155 Ų155133.6 Ų133.681%0.81277%0.773SS**  trans-143.8161.4170.8-177.675.2000106.6
14W30.7Very low33Very low245 Ų245133.8 Ų133.893%0.92878%0.776SS**  trans-175.5168.1131.7-104.936.4000114.2
15S32.7Very low33.2Very low118 Ų118132.1 Ų132.183%0.82578%0.778SS**  trans-153151.3176.7-178.40000108.1
16G28.9Very low33Very low77 Ų77133 Ų13379%0.79478%0.78SS**  trans-163.8160.9-173.600000115
17S30.9Very low32.7Very low97 Ų97130 Ų13068%0.67877%0.767SS**  trans-133.8164.2-173.7-160.90000112.8
18E32.9Very low32.4Very low187 Ų187130.8 Ų130.887%0.87477%0.765SS**  trans36.9128.4153.9-73158.1113.900121.6
19G31.4Very low32.2Very low73 Ų73133.2 Ų133.275%0.75377%0.77SS**  trans-166.7160.2165.900000111.5
20S33.2Very low31.9Very low121 Ų121133 Ų13385%0.84677%0.768SS**  trans-145.6145.8-175.4-71.20000114.5
21Q28.7Very low31.7Very low168 Ų168132.7 Ų132.779%0.78577%0.767SS**  trans75.4133.6150-118.8-176.2-68.900121
22E28.2Very low31.4Very low143 Ų143132.5 Ų132.567%0.66877%0.766SS**  trans88.9121.2148.3-53.6-139.3164.100122.9
23L27.3Very low30.6Very low157 Ų157134.9 Ų134.982%0.82276%0.759SS**  trans74123.2143.1-64.4165.1000121.1
24C30.4Very low30.6Very low122 Ų122133.9 Ų133.982%0.82476%0.755SS**  trans-86.7168.1163.1-43.90000110.3
25P39.8Very low30.8Very low119 Ų119129.1 Ų129.177%0.77374%0.743SS**  -146.3170.282.139.7-22.9000116.9
26S31.2Very low30.9Very low91 Ų91130.9 Ų130.964%0.63674%0.743SS**  trans9.1153.9138.5-62.90000121.7
27E31.1Very low31.2Very low129 Ų129133.6 Ų133.660%0.60374%0.739SS**  cis-164.1-179.33.4-120.9155-118.100113.4H402E27-H402 IonicContact OE2-CD2 2.78Å; E27-H402 IonicContact OE2-CE1 2.81Å; E27-H402 IonicContact OE2-NE2 3.89Å; E27-H402 PolarHBondContact OE2-NE2 2.92Å
28H30.6Very low31.4Very low148 Ų148137.2 Ų137.269%0.68575%0.751SS**  trans7.2146.2156.1-86.1-121.6000120.5
29L31.1Very low31.8Very low150 Ų150132.9 Ų132.979%0.78574%0.742SS**  -159.2177.255.9-16954.3000114
30A27.9Very low31.8Very low67 Ų67139 Ų13955%0.55475%0.75SS**  trans-67.4-171.6173.500000113.1
31E29Very low32Very low175 Ų175138.3 Ų138.382%0.81875%0.745SS**  cis-168.3-177.825.5-151.5145.7-124.300112.4
32S27.9Very low32.3Very low111 Ų111138.5 Ų138.578%0.77675%0.747SS**  trans73.6156.516378.30000119.2
33Y27.5Very low32.4Very low180 Ų180137.8 Ų137.871%0.70675%0.747SS**  cis-168.6173.5-39.9-153-96.8000108.6
34N30.7Very low32.6Very low134 Ų134136.9 Ų136.972%0.71774%0.742SS**  trans75.9155.4171.4-42.3-79.1000116.7
35E35.2Very low32.6Very low144 Ų144137 Ų13767%0.67375%0.745SS**  cis-160.2-144.9-48.7-127.5161.3-150.600107.7
36D34.8Very low31.8Very low156 Ų156134.6 Ų134.683%0.83474%0.742SS**  trans6691.3-176.2-50.1-28.7000112.6
37D36.1Very low31.7Very low133 Ų133135.8 Ų135.871%0.71175%0.75SS**  cis71.3109.749-158.10.1000113.6S39D37-S39 PolarHBondContact OD1-OG 3.03Å
38D34.4Very low31.5Very low173 Ų173137.9 Ų137.993%0.92576%0.76SS**  trans-148.999.8166.1-132.5-20.9000106.4
39S41.4Very low31.4Very low97 Ų97137.6 Ų137.668%0.67876%0.763SS**  trans-112.8111.8-164.9-75.80000112.1D37D37-S39 PolarHBondContact OD1-OG 3.03Å
40E31.3Very low31.3Very low201 Ų201136.8 Ų136.894%0.93977%0.765SS**  trans-127.8140.9160.9-72.3-160.2146.200111.5
41S36.8Very low31.3Very low106 Ų106141.5 Ų141.574%0.74178%0.775SS**  trans-148.9-174.1-176.5650000110.1
42E35.7Very low31.5Very low173 Ų173140.7 Ų140.781%0.80877%0.774SS**  trans74.8149.5-178.9-44.8-166.5146.900113.8
43D30.2Very low32.3Very low127 Ų127140.6 Ų140.668%0.67977%0.772SS**  cis-149.4161.8-1.1-141.814.5000118.8
44L31.7Very low32.4Very low138 Ų138136.5 Ų136.572%0.72377%0.769SS**  trans-21.8168.8168-71163.8000125
45S29.9Very low32.4Very low125 Ų125135.1 Ų135.187%0.87477%0.77SS**  trans82.7157.5151.582.30000118.8
46G23.7Very low32.1Very low69 Ų69137.3 Ų137.371%0.71178%0.78SS**  cis162.1156.4-12.300000115
47S28.1Very low31.8Very low116 Ų116134.7 Ų134.781%0.81177%0.774SS**  trans76.8126.4163.1-80.30000123.4
48Q28.5Very low32.7Very low172 Ų172133.3 Ų133.380%0.80477%0.772SS**  trans75.193.7139.6-63.2-167.112.300123.6
49N27.7Very low32.4Very low143 Ų143133.5 Ų133.577%0.76577%0.768SS**  56.1117.699.5-169.721.8000120.6
50T29.3Very low31.7Very low132 Ų132133.5 Ų133.581%0.8177%0.767SS**  trans-158.1132.8144-10.70000115.3
51H26.4Very low31.7Very low167 Ų167130.7 Ų130.777%0.77376%0.757SS**  trans60.1108.3154.4-102.7-65.4000124.2
52I34.5Very low31.5Very low157 Ų157133.3 Ų133.381%0.80576%0.758SS**  trans-98.7148146.5-73.3170.8000105.5
53P45.3Very low31.3Very low110 Ų110131.9 Ų131.971%0.71476%0.755SS**  -150.3-166.464.647.2-25.5000114.3
54S28.2Very low31.4Very low94 Ų94133.7 Ų133.766%0.65776%0.759SS**  cis-159.815111.2-171.50000112.9
55S31.3Very low31.1Very low104 Ų104135.1 Ų135.173%0.72776%0.762SS**  trans62.4157.4149.546.70000119.2
56Q29.9Very low31.1Very low191 Ų191137.1 Ų137.189%0.89375%0.75SS**  cis-144.9178.66.9-143.8164.4-15.200112.6
57S27.1Very low31.5Very low100 Ų100140.3 Ų140.370%0.69975%0.747SS**  trans-150.7178.4-178.1-158.50000107.3
58P55.3Low31.8Very low105 Ų105140 Ų14068%0.68275%0.745SS**  cis-128.7-146.8-17.223.72.8000111.9
59E27.9Very low31.9Very low177 Ų177135.6 Ų135.683%0.82774%0.738SS**  trans93.8151150.9-65.4-158.4130.600121.3
60C26.7Very low32Very low97 Ų97136.5 Ų136.566%0.65574%0.742SS**  cis-170.1169-32-158.10000110.9
61L31.8Very low31.9Very low141 Ų141133.5 Ų133.574%0.73874%0.737SS**  trans67.8138.8167.2-50.4178.3000117.1
62Q32.4Very low33Very low162 Ų162131.2 Ų131.276%0.75774%0.738SS**  cis104.7146.913.5-165.8173.532.800114.8
63L31.9Very low32.7Very low143 Ų143132.1 Ų132.175%0.74974%0.738SS**  trans78.8156-176.1-54.1177.9000114.5
64Q31.3Very low31.9Very low165 Ų165131.2 Ų131.277%0.77174%0.735SS**  cis-179.3166.1-42.1-119-17023.900106
65H27Very low31.8Very low167 Ų167134.2 Ų134.277%0.77374%0.743SS**  trans72.7153.1157.9-146.3-107.9000116.1
66R30Very low31.6Very low167 Ų167135.5 Ų135.563%0.6374%0.741SS**  cis-174.4132-33.2174.4171.9179.6-151.8-13.7110.2
67E31.7Very low31.5Very low137 Ų137133.6 Ų133.664%0.6473%0.732SS**  trans50.4130142.4-155.1-180131.200121.3
68S33.3Very low31.5Very low110 Ų110136 Ų13677%0.76973%0.732SS**  trans70.7153.9153.2-74.10000118.8
69A30.5Very low30.2Very low79 Ų79135.3 Ų135.365%0.65373%0.729SS**  cis-161.4-159.8-13.400000109.6
70D31Very low30.4Very low161 Ų161135 Ų13586%0.86173%0.728SS**  trans78.4121.9165.6-55.8-22.1000119.3
71G26.2Very low30.5Very low69 Ų69139.9 Ų139.971%0.71174%0.741SS**  trans-105.8-138150.400000108.4
72P49.6Very low30.6Very low120 Ų120142.4 Ų142.478%0.77975%0.749SS**  cis-130.2-157.2-5.237.1-16.2000112
73E28Very low30.7Very low175 Ų175143.5 Ų143.582%0.81875%0.754SS**  trans70.4155.6161.8-75.3-159.9-154.600118.9
74S28.5Very low30.5Very low91 Ų91141.4 Ų141.464%0.63675%0.752SS**  cis-163.2147-19.849.20000113.5
75L25.6Very low30.6Very low158 Ų158139.1 Ų139.183%0.82775%0.749SS**  trans58.1166141.2-143.274.3000122
76L27.6Very low30.7Very low131 Ų131141 Ų14169%0.68676%0.755SS**  trans78120.3170-60.9168.8000114.7
77E27.3Very low30.8Very low151 Ų151142.1 Ų142.171%0.70676%0.761SS**  72.2142.874.6-73.4-161.7149.600113.3
78Q28.7Very low30.7Very low150 Ų150142.4 Ų142.470%0.70176%0.762SS**  cis-163.3-179.9-13.5-121.9-174.363.800107.5
79S27.8Very low30.6Very low90 Ų90143.7 Ų143.763%0.62976%0.756SS**  trans67.2133.3165.3-63.10000116.9
80E31.8Very low30.5Very low172 Ų172147 Ų14780%0.80476%0.762SS**  65.8105.559.1-65.1-175.1152.700114.3
81Q27.8Very low30.7Very low198 Ų198149.4 Ų149.493%0.92576%0.761SS**  -175.7161.6122.4-99.3159.65.800113.2
82E34.1Very low31.1Very low194 Ų194153.2 Ų153.291%0.90777%0.765SS**  trans-108-174-179.5-56.7-177.9131.300111.4
83E35Very low30.1Very low185 Ų185155.6 Ų155.686%0.86476%0.763SS**  trans106.2145.2154-161.3164.8-153.300120.1
84S27.4Very low30.4Very low100 Ų100155.9 Ų155.970%0.69976%0.758SS**  trans66.4118.3176.768.10000116.5
85V33.7Very low30.5Very low117 Ų117160.1 Ų160.171%0.70977%0.766SS**  cis76.6107.930.6-171.10000114.6Y87V85-Y87 HydrophobicContact CG1-CE2 4.41Å
86F29.9Very low30.8Very low205 Ų205156.4 Ų156.490%0.89975%0.753SS**  trans-146.7143.9152.7-104.6-81000111
87Y31.4Very low30.8Very low191 Ų191159 Ų15975%0.74976%0.761SS**  trans-85.2177.7165.8-61.5-111.3000108.4V85V85-Y87 HydrophobicContact CG1-CE2 4.41Å
88Q30.2Very low31Very low143 Ų143157.5 Ų157.567%0.66877%0.767SS**  cis-156.6169.713.8-161.8133.7-1500112.4
89E30.4Very low31.3Very low138 Ų138158.7 Ų158.765%0.64577%0.766SS**  trans-31.3153.7165.7-54.2145.9154.500117.4
90N28.1Very low31.7Very low147 Ų147161.9 Ų161.979%0.78677%0.77SS**  -169.9164.998.7-100.7-73.1000114.9
91Y36.5Very low32Very low213 Ų213157 Ų15784%0.83576%0.755SS**  trans-80.7160.9177.7-86.7-117.5000112.3
92D32.7Very low32.2Very low149 Ų149154.1 Ų154.180%0.79774%0.744SS**  -179.7155.5108.2-111.9-32.5000118.4
93F29.5Very low32.1Very low169 Ų169150.7 Ų150.774%0.74174%0.736SS**  trans62.597.6148.9-118.2-101.9000126.7
94Y35.3Very low31.8Very low182 Ų182149 Ų14971%0.71473%0.733SS**  46.4126.1115-131.7-89.7000124.9
95F30.4Very low32.1Very low180 Ų180149 Ų14979%0.78973%0.733SS**  178.4117.5126.9-104.9-83.2000108
96S30.6Very low33Very low79 Ų79148.2 Ų148.255%0.55273%0.73SS**  51.3140.6101-37.20000115.2
97E28.3Very low32.9Very low186 Ų186148.7 Ų148.787%0.86973%0.727SS**  cis-134.7173.615.7-68.1-177.3117.200109.5
98S31.7Very low33Very low119 Ų119144.9 Ų144.983%0.83272%0.719SS**  cis-146.6162.134.3-64.20000115.3
99R35.6Very low32.9Very low176 Ų176145.9 Ų145.966%0.66472%0.724SS**  trans-90.3160.3178.4-152.7179.3171.4-109.86.8108.2
100E35.9Very low32.7Very low156 Ų156142.9 Ų142.973%0.72972%0.722SS**  175.8154.577.4-75.3-157.1134.800110.2
101S37.5Very low32.9Very low69 Ų69140.7 Ų140.748%0.48372%0.719SS.*  cis-172.4133.9-17.661.60000113.2
102M31.8Very low32.7Very low139 Ų139138.6 Ų138.669%0.68572%0.717SS**  trans59.9162.2154.30-168.8-164.600117.1
103T31.8Very low32.5Very low122 Ų122137.3 Ų137.375%0.74871%0.714SS**  cis-160156.13.86.40000106.1
104D30Very low32.4Very low150 Ų150135.3 Ų135.380%0.80272%0.721SS**  cis-158.8-157.4-5.8-148.7-44.9000109.2
105S32.8Very low32.4Very low100 Ų100131.1 Ų131.170%0.69972%0.724SS**  trans-128.3-160.8177.6-139.50000109.8
106P53Low32.1Very low100 Ų100129.5 Ų129.565%0.64973%0.729SS**  cis-137.5-172.1-8.137.4-16.2000116.2
107Y27.6Very low32.2Very low214 Ų214130.5 Ų130.584%0.83974%0.736SS**  trans72.4156.3145-93.4-165.5000119.2
108I32.5Very low33.3Very low111 Ų111127.1 Ų127.157%0.56973%0.731SS**  cis-152.4179.87.4-125.7-93.4000112.2
109E28.1Very low34.4Very low164 Ų164126.7 Ų126.777%0.76673%0.725SS**  trans-34.8175.4170.7-75169.9120.400120.5
110A27.8Very low33.9Very low75 Ų75127.8 Ų127.862%0.6274%0.738SS**  cis175.7164.8-30.300000110.1
111S31.9Very low33.5Very low101 Ų101126.1 Ų126.171%0.70674%0.742SS**  trans63.5169163-66.60000117.8
112Q32.5Very low34.4Very low170 Ų170127.8 Ų127.879%0.79475%0.751SS**  cis-152.6165.4-33.8-108.6172.876.100110.2
113T27.9Very low34.3Very low122 Ų122128.4 Ų128.475%0.74876%0.757SS**  trans-32.8143.5176.652.30000120.8
114S28.4Very low34.5Very low127 Ų127126.2 Ų126.289%0.88875%0.746SS**  trans-174.9172.7131.7-84.90000112.9
115A33.4Very low34.6Very low94 Ų94128.3 Ų128.378%0.77775%0.748SS**  trans-146171.9-169.900000114.8
116T25.9Very low34.6Very low146 Ų146127.5 Ų127.590%0.89674%0.743SS**  trans114154.2165.2-44.10000116.4
117S31Very low33.3Very low100 Ų100133.3 Ų133.370%0.69975%0.752SS**  trans-119.1-157.5-171.861.60000110.8
118P51.9Low33.4Very low115 Ų115129.3 Ų129.375%0.74774%0.741SS**  cis-128.5-121.4-926.21.4000114.9
119P55.8Low33.2Very low110 Ų110131.3 Ų131.371%0.71475%0.748SS**  -125.8171.9-100.340-24.4000117.7
120E25.2Very low33Very low199 Ų199128.3 Ų128.393%0.9375%0.745SS**  -169-173128.8-110.7-169.6126.400114.3
121C26.3Very low32.8Very low121 Ų121130.6 Ų130.682%0.81876%0.755SS**  trans-139.9-167.9-158.2-128.50000111.8
122P57.3Low32.5Very low103 Ų103131 Ų13167%0.66976%0.758SS**  cis-133.9179.4-2042.3-26.3000114.9
123D28.4Very low32.1Very low153 Ų153128.2 Ų128.282%0.81876%0.757SS**  -167.8-175.8112.1-135.4-29.9000114
124S36.6Very low31.9Very low75 Ų75127.8 Ų127.852%0.52476%0.759SS.*  trans-131.2134.2-138.1-55.20000120.9
125K33.4Very low31.8Very low194 Ų194127 Ų12784%0.84375%0.754SS**  trans70.6154.2132.5-69169.6-167.8161.60121
126S31.6Very low31.6Very low84 Ų84128 Ų12859%0.58776%0.755SS**  cis176.6160.1-16.953.90000114.6
127W25.7Very low31.9Very low221 Ų221126.1 Ų126.184%0.83775%0.748SS**  trans67.4168.4165.9-57.996.2000118.7
128Q29.5Very low32.2Very low131 Ų131129 Ų12961%0.61276%0.755SS**  -165.3170.6-58.6-121.5-169.910.300111.8
129H28.1Very low31.1Very low153 Ų153127.1 Ų127.171%0.70876%0.755SS**  trans75.9115.5157.4-62.5-42.8000124.9
130S24.6Very low30.2Very low101 Ų101127.2 Ų127.271%0.70676%0.757SS**  56.9123.8116.6-51.90000126.3
131C23.5Very low30.6Very low122 Ų122122.3 Ų122.382%0.82475%0.751SS**  trans88.6137.3136.9-67.20000124.4
132S24.7Very low31.1Very low110 Ų110121.1 Ų121.177%0.76975%0.75SS**  trans92.6107146.1-59.30000123.3
133S24.1Very low30Very low111 Ų111123.2 Ų123.278%0.77676%0.755SS**  77.5121.8127.6-56.10000124.5
134S24.3Very low30.4Very low114 Ų114123.4 Ų123.480%0.79775%0.753SS**  trans79.9102.2134-600000124.1
135S27.1Very low30.3Very low111 Ų111124 Ų12478%0.77675%0.754SS**  69140122.1-156.30000123.7
136S27.9Very low30.4Very low114 Ų114124.1 Ų124.180%0.79776%0.755SS**  trans72.1152.1154.275.10000118.8
137S33.4Very low30.4Very low107 Ų107123.9 Ų123.975%0.74876%0.757SS**  cis-173.3-178.9-18-178.80000110.6
138L36.3Very low30.7Very low161 Ų161120.8 Ų120.884%0.84376%0.757SS**  trans98.7144.8157.3-64.2168000121.9
139G29.5Very low30.7Very low74 Ų74119.7 Ų119.776%0.76376%0.759SS**  trans117.289.4172.200000114.3
140C36Very low30.9Very low112 Ų112119.4 Ų119.476%0.75776%0.762SS**  cis10893.915-64.50000116.1
141A34Very low31.2Very low96 Ų96119.8 Ų119.879%0.79376%0.764SS**  trans-167121152.100000107.9
142A37.1Very low31.6Very low97 Ų97118.1 Ų118.180%0.80275%0.754SS**  78.913685.800000113.1
143D33.8Very low31.8Very low146 Ų146121.7 Ų121.778%0.78176%0.759SS**  cis-160.6170.13-148-28.8000112.6
144M37.9Very low32.2Very low157 Ų157127.7 Ų127.777%0.77376%0.764SS**  trans67.2145.1160-61.6-170.789.500119.5
145T33.8Very low32.9Very low87 Ų87128.2 Ų128.253%0.53477%0.765SS.*  cis-162.9126.2-8.3-1000000112.6
146K35.9Very low33.2Very low198 Ų198131.1 Ų131.186%0.86177%0.771SS**  trans64.3148.5154.8-69.2168.9-159.6170.10119.4
147A31.3Very low33.3Very low78 Ų78129.2 Ų129.265%0.64577%0.769SS**  cis-165.4143.9-0.300000114.9
148L31.5Very low33.2Very low157 Ų157129.2 Ų129.282%0.82278%0.776SS**  trans65.4143.9148.4-54.5167.9000119.7
149T29Very low33Very low107 Ų107127 Ų12766%0.65677%0.774SS**  cis-165.4139.3-12.914.40000113
150L33.7Very low33.2Very low148 Ų148131.2 Ų131.278%0.77578%0.779SS**  trans52.3119.3139.2-63.7172.4000121.9
151S30.4Very low33.2Very low108 Ų108128.8 Ų128.876%0.75577%0.773SS**  83.6161.189.888.20000115.4
152S31.9Very low33Very low88 Ų88134 Ų13462%0.61578%0.78SS**  cis-159.11661.2-157.80000111.5
153E28.9Very low32.7Very low185 Ų185132.6 Ų132.686%0.86478%0.775SS**  trans47.3162.8145.7-79.8167.4123.300126.5
154R31.4Very low33.5Very low236 Ų236131.5 Ų131.589%0.89178%0.776SS**  trans-90.7154.1173-94.2178.1170.5167-3.1111
155P39.1Very low33Very low126 Ų126133.3 Ų133.382%0.81877%0.774SS**  -149.1-158.694.639.9-21000115
156L33.5Very low32.9Very low171 Ų171134.8 Ų134.890%0.89578%0.783SS**  trans-91.8155.3-175.2-66.867.6000112.8
157G30.3Very low32.6Very low74 Ų74130.7 Ų130.776%0.76377%0.767SS**  trans144.498.413900000120.8
158A32.8Very low32.5Very low108 Ų108134.7 Ų134.789%0.89378%0.776SS**  trans53.2149.3136.200000125
159S31.2Very low32.3Very low114 Ų114138.1 Ų138.180%0.79778%0.778SS**  trans120.4139138.8-159.20000119.4
160D34.4Very low32.2Very low162 Ų162137.9 Ų137.987%0.86678%0.781SS**  trans-66.4174.9177.7-42.2-66.6000114.4
161G34.4Very low31.8Very low61 Ų61139.1 Ų139.163%0.62978%0.78SS**  cis164.1-161.14.300000113.6
162H31.5Very low31.6Very low206 Ų206141 Ų14195%0.95478%0.777SS**  trans70.9148.1-174.3-67.6-100.9000116.3
163G29.3Very low31.3Very low67 Ų67141.4 Ų141.469%0.69178%0.78SS**  cis151.4-176.8-2.400000110.6
164P52.1Low31.3Very low123 Ų123137.5 Ų137.580%0.79977%0.773SS**  cis-138.8172.9-28.943.1-26.9000115.7
165R27.2Very low31.2Very low195 Ų195134 Ų13474%0.73677%0.767SS**  trans43.6146.7150.5-102-175135.4172.7-3.7122E167R165-E167 IonicContact CZ-OE1 3.62Å; R165-E167 IonicContact CZ-OE2 3.61Å; R165-E167 IonicContact NE-OE1 2.87Å; R165-E167 PolarHBondContact NE-OE1 3.19Å; R165-E167 IonicContact NE-OE2 3.64Å; R165-E167 IonicContact NH2-OE1 3.5Å; R165-E167 PolarHBondContact NH2-OE1 3.16Å; R165-E167 IonicContact NH2-OE2 2.74Å; R165-E167 PolarHBondContact NH2-OE2 3.25Å
166T31.4Very low30.9Very low118 Ų118137.1 Ų137.172%0.72477%0.771SS**  -163.3161.352.9-38.20000112.9
167E29.3Very low30.8Very low112 Ų112132.6 Ų132.652%0.52377%0.765SS.*  trans-57.4167.6174.3-49.590.6-85.300114.6R165R165-E167 IonicContact CZ-OE1 3.62Å; R165-E167 IonicContact CZ-OE2 3.61Å; R165-E167 IonicContact NE-OE1 2.87Å; R165-E167 PolarHBondContact NE-OE1 3.19Å; R165-E167 IonicContact NE-OE2 3.64Å; R165-E167 IonicContact NH2-OE1 3.5Å; R165-E167 PolarHBondContact NH2-OE1 3.16Å; R165-E167 IonicContact NH2-OE2 2.74Å; R165-E167 PolarHBondContact NH2-OE2 3.25Å
168I29.9Very low30.8Very low163 Ų163132.3 Ų132.384%0.83676%0.762SS**  cis-168.4162.236.1-6.4170.2000114.4
169R27.7Very low30.6Very low229 Ų229133.4 Ų133.486%0.86476%0.763SS**  trans85.7113.5136.3-169.7174.9-170.41784.4125.1
170S26.3Very low30.5Very low101 Ų101132.3 Ų132.371%0.70676%0.756SS**  trans80106.3133.1-163.50000125.4
171F26Very low30.2Very low174 Ų174133.4 Ų133.476%0.76376%0.755SS**  60.8124.3117.6-143.2-123.9000123.7
172E25.3Very low30.2Very low149 Ų149134.5 Ų134.570%0.69676%0.758SS**  trans100.5146.1136.7-154.4145.8-120.200122.8
173S26.4Very low31.4Very low96 Ų96130.4 Ų130.467%0.67175%0.75SS**  trans70.9126.7157.5560000121.8
174S27.8Very low32.3Very low103 Ų103133.3 Ų133.372%0.7276%0.757SS**  trans70.7159.1130.3-68.90000120.3
175E29.2Very low31.4Very low163 Ų163131.8 Ų131.876%0.76276%0.755SS**  cis-173.3149-19.9172.4154.160.500108.9
176E32.5Very low31.9Very low191 Ų191127.4 Ų127.489%0.89375%0.754SS**  trans63.9160.1157.3-166.9159.5-139.800120.6
177G31.1Very low31.9Very low76 Ų76128 Ų12878%0.78476%0.757SS**  trans85.1124.4170.600000117.1
178G30.2Very low32Very low67 Ų67130.4 Ų130.469%0.69177%0.766SS**  cis129.689.8-14.700000115
179S29.9Very low32.1Very low131 Ų131132 Ų13292%0.91677%0.767SS**  trans60.1167.1177.765.80000115.2
180S28.3Very low32.3Very low92 Ų92123.7 Ų123.764%0.64375%0.753SS**  cis-113.8-154.90.552.20000110.2
181E28.5Very low32.6Very low184 Ų184127.1 Ų127.186%0.8676%0.761SS**  cis-154.3-163.94.6-151142.4102.500110.8
182A33.4Very low32.8Very low84 Ų84122.9 Ų122.969%0.69475%0.753SS**  trans-13216418000000112.5
183P57.6Low33.3Very low121 Ų121122.5 Ų122.579%0.78676%0.756SS**  trans-100.8175.2-170.640.2-36.5000114.2
184P49.1Very low33.6Very low128 Ų128127.1 Ų127.183%0.83177%0.767SS**  trans-123.9158.3151.436.1-25.2000114.6
185A32.7Very low33.8Very low91 Ų91125.6 Ų125.675%0.75277%0.768SS**  trans-91.6-16817200000110.5
186S36.9Very low33.9Very low102 Ų102122.3 Ų122.371%0.71377%0.768SS**  cis-150.5-177.818.8-64.60000110.6
187V31.9Very low33.8Very low130 Ų130121.2 Ų121.279%0.78876%0.763SS**  172.9121.296.8149.50000107.4
188F31.8Very low33.8Very low164 Ų164126 Ų12672%0.71977%0.765SS**  40.1141.7105.8-77.2-65.4000117
189F31.1Very low33.7Very low197 Ų197126.7 Ų126.786%0.86476%0.764SS**  cis-138.2-173.18.7-82.7-73.7000108.7
190G32.4Very low33.7Very low54 Ų54129.1 Ų129.156%0.55776%0.761SS**  cis148.4170.6-0.200000111.1
191I32.1Very low34.2Very low173 Ų173130.2 Ų130.289%0.88776%0.764SS**  trans61.2156.117877159.3000116.6
192S31.6Very low34.4Very low85 Ų85132.9 Ų132.959%0.59477%0.766SS**  cis-175.2164.6-22.9-88.60000108
193D34Very low34.3Very low140 Ų140136.4 Ų136.475%0.74977%0.774SS**  cis-168.6165.9-26.3-87.9-29.2000109.4
194E33.8Very low33.1Very low194 Ų194139 Ų13991%0.90778%0.78SS**  trans65.9145.6158.4-140.769.4173.800122.6
195G31.4Very low32.1Very low71 Ų71136.6 Ų136.673%0.73278%0.779SS**  trans99.385.9162.100000116.3
196A30.5Very low32.2Very low94 Ų94138.1 Ų138.178%0.77778%0.784SS**  89100.753.200000115.6
197E30.6Very low32.2Very low167 Ų167140.2 Ų140.278%0.7879%0.787SS**  trans74.6146.7143.9-64.4-167.8-155.400124
198Q30.9Very low32.4Very low176 Ų176144 Ų14482%0.82279%0.787SS**  trans66.2136.5161.9-68.5166.755.900118.1
199A28.4Very low32.4Very low82 Ų82141.4 Ų141.468%0.67878%0.78SS**  cis-159.7178.8-14.100000109.7
200E30.5Very low32.7Very low182 Ų182139.4 Ų139.485%0.8578%0.778SS**  trans50.2112.6158-62.9-166.711700118.4
201T38.3Very low32.6Very low116 Ų116142.6 Ų142.671%0.71279%0.79SS**  cis-163.1141.64246.50000112.5
202R33.9Very low32.7Very low239 Ų239145.6 Ų145.690%0.90279%0.791SS**  trans153.599.2138.2-84.8169.3-166.9-169.95.8111.8
203N30.3Very low33.2Very low159 Ų159146.8 Ų146.885%0.8580%0.796SS**  trans-64.9137.2163.2-52.5-67.6000108.7
204L33.3Very low33.7Very low176 Ų176146.7 Ų146.792%0.92180%0.795SS**  cis75.3131.735.3-150.883.3000113.6
205G28.6Very low34Very low77 Ų77148.1 Ų148.179%0.79479%0.793SS**  trans160.850.4176.700000118.8
206S33.4Very low34.3Very low123 Ų123152.5 Ų152.586%0.8679%0.794SS**  trans-153.746.1165.676.80000116
207D36.5Very low34.8Very low145 Ų145157.6 Ų157.678%0.77579%0.793SS**  trans-149.9126.3157.6-164.58.7000111.7
208R36.3Very low34.9Very low210 Ų210153.6 Ų153.679%0.79279%0.789SS**  trans-172.7136.9169.9-74.5-150.273.6133.48.9106.5
209D32.5Very low35.7Very low109 Ų109154.6 Ų154.658%0.58379%0.785SS**  cis-133.9152.34.9-89.6-59.4000112.2
210L36.9Very low36.2Very low155 Ų155160.7 Ų160.781%0.81279%0.792SS**  trans-121.6143.5161.4-76.9171000109.2
211C31.5Very low36.4Very low121 Ų121157.5 Ų157.582%0.81879%0.785SS**  trans68.9143.2-176.4-50.80000114
212R33Very low36.5Very low237 Ų237163.7 Ų163.789%0.89480%0.795SS**  cis-141.3178.710.8-91.4-160.1175.5-155.4-0.1109.9
213P42.6Very low36.8Very low109 Ų109158.8 Ų158.871%0.70879%0.786SS**  cis-119.3178.1-9.539.1-26.2000113.6
214D43.7Very low37.6Very low138 Ų138156.4 Ų156.474%0.73878%0.782SS**  trans-74.2129.8170.1178.817.9000112.1Q216D214-Q216 PolarHBondContact OD1-N 2.97Å
215R40.9Very low38.6Very low225 Ų225155.8 Ų155.885%0.84977%0.774SS**  trans-136.678.6154.8-72-169.975.9168.72.5111
216Q38.2Very low40.6Very low163 Ų163161 Ų16176%0.76278%0.775SS**  trans57.973.1145.7-64.6178.1-41.800117.3D214 A218D214-Q216 PolarHBondContact OD1-N 2.97Å; Q216-A218 PolarHBondContact O-N 3.34Å
217R39.5Very low42.4Very low201 Ų201157.8 Ų157.876%0.75875%0.746SS**  40.155.2126.8-154.4-173.6-138.1-179.611.3118R219R217-R219 HydrophobicContact CG-CG 4.27Å; R217-R219 PolarHBondContact O-N 3.03Å
218A33.3Very low44.8Very low83 Ų83154.5 Ų154.569%0.68673%0.731SS**  trans-63.994.616700000110.9Q216 Y220Q216-A218 PolarHBondContact O-N 3.34Å; A218-Y220 HydrophobicContact CB-CD2 4.24Å; A218-Y220 PolarHBondContact O-N 3.05Å
219R48.6Very low47.1Very low196 Ų196151.5 Ų151.574%0.7473%0.726SS**  trans-74.662.1179.3-77.8-162.4178.4-170.73.4112.4R217R217-R219 HydrophobicContact CG-CG 4.27Å; R217-R219 PolarHBondContact O-N 3.03Å
220Y37.8Very low49.8Very low211 Ų211150 Ų15083%0.82773%0.725SS**  trans-82119.9165-74.1-75.6000110.5A218 R222A218-Y220 HydrophobicContact CB-CD2 4.24Å; A218-Y220 PolarHBondContact O-N 3.05Å; Y220-R222 PolarHBondContact O-N 3.4Å
221T35.9Very low52.4Low114 Ų114146.2 Ų146.270%0.69970%0.703SS**  trans-53.3118.2-172.345.80000112.5L223T221-L223 PolarHBondContact O-N 3.2Å
222R39.6Very low55.3Low247 Ų247147.5 Ų147.593%0.93269%0.691SS**  trans-69.676.9158.7-75.6-167.8176.9-156.91.6109.4Y220 S224Y220-R222 PolarHBondContact O-N 3.4Å; R222-S224 VanDerWaalsContact C-N 3.3Å; R222-S224 PolarHBondContact O-N 3.25Å
223L40.3Very low58.3Low135 Ų135140.6 Ų140.671%0.70767%0.668SS**  trans-59.297.8161.4-86.6165.1000107.4T221 H225T221-L223 PolarHBondContact O-N 3.2Å; L223-H225 PolarHBondContact O-N 3.41Å
224S47.4Very low60.8Low110 Ų110138.8 Ų138.877%0.76966%0.655SS**  trans-71.578.4179.6-168.30000109.4R222 K226R222-S224 VanDerWaalsContact C-N 3.3Å; R222-S224 PolarHBondContact O-N 3.25Å; S224-K226 PolarHBondContact O-N 3.01Å
225H53.4Low63.3Low162 Ų162136.8 Ų136.875%0.7564%0.64SS**  trans-57.5104.4167-88.812.4000107.9L223 E227L223-H225 PolarHBondContact O-N 3.41Å; H225-E227 PolarHBondContact O-N 3.19Å
226K70.5Confident65.9Low187 Ų187130.4 Ų130.481%0.81362%0.62SS**  trans-57.4104.6174-67.6-175.4178.6-177.70107.5S224 T228S224-K226 PolarHBondContact O-N 3.01Å; K226-T228 PolarHBondContact O-N 2.68Å
227E72.6Confident68.7Low56 Ų56126.5 Ų126.526%0.26261%0.607SS.*  trans-49.1116.7-168.4-174.817415800110.6H225 E231 R232 K235H225-E227 PolarHBondContact O-N 3.19Å; E227-E231 HydrophobicContact CG-CB 3.84Å; E227-E231 HydrophobicContact CG-CG 3.92Å; E227-R232 HydrophobicContact CB-CG 4.2Å; E227-R232 HydrophobicContact CG-CG 3.66Å; E227-R232 PolarHBondContact O-NE 3.19Å; E227-R232 PolarHBondContact O-NH2 3.26Å; E227-R232 WeakPolarHBondContact OE1-CA 3.37Å; E227-R232 PolarHBondContact OE1-N 3.03Å; E227-K235 WeakPolarHBondContact OE1-CD 3.42Å; E227-K235 VanDerWaalsContact OE1-CE 3.24Å; E227-K235 WeakPolarHBondContact OE1-CE 3.05Å; E227-K235 IonicContact OE1-NZ 2.71Å; E227-K235 PolarHBondContact OE1-NZ 2.63Å; E227-K235 IonicContact OE2-NZ 2.59Å; E227-K235 PolarHBondContact OE2-NZ 2.86Å
228T85.8Confident71.5Confident75 Ų75123.8 Ų123.846%0.4660%0.6SS.*  trans-65.4150.7-171.762.90000110.3K226 S230 E231 R232K226-T228 PolarHBondContact O-N 2.68Å; T228-S230 PolarHBondContact O-N 3.17Å; T228-S230 PolarHBondContact OG1-OG 2.8Å; T228-E231 WeakPolarHBondContact O-CA 3.4Å; T228-E231 WeakPolarHBondContact O-CB 3.34Å; T228-E231 PolarHBondContact O-N 3.23Å; T228-E231 WeakPolarHBondContact OG1-CB 3.32Å; T228-E231 PolarHBondContact OG1-N 3.24Å; T228-R232 PolarHBondContact O-N 2.86Å
229Q85.1Confident74.5Confident147 Ų147123.3 Ų123.369%0.68759%0.592SS**Hα-helixtrans-56.7-38.6-176.1-161.8-15418.900112R232 H233Q229-R232 PolarHBondContact O-N 3.1Å; Q229-H233 PolarHBondContact NE2-NE2 2.92Å; Q229-H233 PolarHBondContact O-CD2 2.9Å; Q229-H233 PolarHBondContact O-N 3.15Å
230S88.6Confident76.8Confident79 Ų79118.9 Ų118.955%0.55258%0.578SS**Hα-helixtrans-63.7-39.9173.941.70000112.9T228 H233 V234T228-S230 PolarHBondContact O-N 3.17Å; T228-S230 PolarHBondContact OG1-OG 2.8Å; S230-H233 PolarHBondContact O-N 3.05Å; S230-V234 WeakPolarHBondContact O-CB 3.21Å; S230-V234 VanDerWaalsContact O-CG2 3.3Å; S230-V234 WeakPolarHBondContact O-CG2 3.33Å; S230-V234 PolarHBondContact O-N 3.08Å
231E92.1Very high79.6Confident75 Ų75112.4 Ų112.435%0.3556%0.563SS.*Hα-helixtrans-65.3-42.4174.5-165.3-169.5154.100111.4E227 T228 V234 K235E227-E231 HydrophobicContact CG-CB 3.84Å; E227-E231 HydrophobicContact CG-CG 3.92Å; T228-E231 WeakPolarHBondContact O-CA 3.4Å; T228-E231 WeakPolarHBondContact O-CB 3.34Å; T228-E231 PolarHBondContact O-N 3.23Å; T228-E231 WeakPolarHBondContact OG1-CB 3.32Å; T228-E231 PolarHBondContact OG1-N 3.24Å; E231-V234 CarbonylContact O-C 3.55Å; E231-V234 WeakPolarHBondContact O-CA 3.47Å; E231-V234 WeakPolarHBondContact O-CB 3.45Å; E231-V234 PolarHBondContact O-N 3.47Å; E231-K235 PolarHBondContact O-N 3.36Å; E231-K235 WeakPolarHBondContact OE1-CE 3.34Å; E231-K235 IonicContact OE1-NZ 2.73Å; E231-K235 PolarHBondContact OE1-NZ 2.73Å
232R92.5Very high82.5Confident148 Ų148113.7 Ų113.756%0.55856%0.559SS**Hα-helixtrans-58.7-49.9173.9-61.3-175.9-162-156-1111.4E227 T228 Q229 V234 K235 E236E227-R232 HydrophobicContact CB-CG 4.2Å; E227-R232 HydrophobicContact CG-CG 3.66Å; E227-R232 PolarHBondContact O-NE 3.19Å; E227-R232 PolarHBondContact O-NH2 3.26Å; E227-R232 WeakPolarHBondContact OE1-CA 3.37Å; E227-R232 PolarHBondContact OE1-N 3.03Å; T228-R232 PolarHBondContact O-N 2.86Å; Q229-R232 PolarHBondContact O-N 3.1Å; R232-V234 PolarHBondContact O-N 3Å; R232-K235 PolarHBondContact O-N 3.07Å; R232-K235 VanDerWaalsContact O-N 3.15Å; R232-E236 WeakPolarHBondContact O-CB 3Å; R232-E236 PolarHBondContact O-N 2.87Å
233H95.3Very high85.2Confident91 Ų91107.3 Ų107.342%0.42154%0.54SS..Hα-helixtrans-56.8-36.6174.5-77.8-59.6000111.9Q229 S230 T237Q229-H233 PolarHBondContact NE2-NE2 2.92Å; Q229-H233 PolarHBondContact O-CD2 2.9Å; Q229-H233 PolarHBondContact O-N 3.15Å; S230-H233 PolarHBondContact O-N 3.05Å; H233-T237 WeakPolarHBondContact O-CB 3.36Å; H233-T237 PolarHBondContact O-N 2.95Å; H233-T237 PolarHBondContact O-OG1 3Å
234V96.2Very high87.8Confident71 Ų71105.5 Ų105.543%0.4353%0.53SS..Hα-helixtrans-72.1-41.2175.8165.80000112.2S230 E231 R232 K238S230-V234 WeakPolarHBondContact O-CB 3.21Å; S230-V234 VanDerWaalsContact O-CG2 3.3Å; S230-V234 WeakPolarHBondContact O-CG2 3.33Å; S230-V234 PolarHBondContact O-N 3.08Å; E231-V234 CarbonylContact O-C 3.55Å; E231-V234 WeakPolarHBondContact O-CA 3.47Å; E231-V234 WeakPolarHBondContact O-CB 3.45Å; E231-V234 PolarHBondContact O-N 3.47Å; R232-V234 PolarHBondContact O-N 3Å; V234-K238 HydrophobicContact CG1-CD 4Å; V234-K238 WeakPolarHBondContact O-CB 3.27Å; V234-K238 WeakPolarHBondContact O-CG 3.49Å; V234-K238 PolarHBondContact O-N 3.45Å
235K95.7Very high90.1Very high96 Ų96101.7 Ų101.742%0.41751%0.505SS..Hα-helixtrans-68-41.7175.5-68.7-170.7-159161.20111.5E227 E231 R232 K238 S239E227-K235 WeakPolarHBondContact OE1-CD 3.42Å; E227-K235 VanDerWaalsContact OE1-CE 3.24Å; E227-K235 WeakPolarHBondContact OE1-CE 3.05Å; E227-K235 IonicContact OE1-NZ 2.71Å; E227-K235 PolarHBondContact OE1-NZ 2.63Å; E227-K235 IonicContact OE2-NZ 2.59Å; E227-K235 PolarHBondContact OE2-NZ 2.86Å; E231-K235 PolarHBondContact O-N 3.36Å; E231-K235 WeakPolarHBondContact OE1-CE 3.34Å; E231-K235 IonicContact OE1-NZ 2.73Å; E231-K235 PolarHBondContact OE1-NZ 2.73Å; R232-K235 PolarHBondContact O-N 3.07Å; R232-K235 VanDerWaalsContact O-N 3.15Å; K235-K238 PolarHBondContact O-N 2.92Å; K235-S239 WeakPolarHBondContact O-CB 3.18Å; K235-S239 PolarHBondContact O-N 3.29Å
236E95.9Very high92.1Very high92 Ų9299 Ų9943%0.4349%0.493SS..Hα-helixtrans-62.1-46.1173.7-167.4-166.8174.700111.2R232 K238 S239 K240R232-E236 WeakPolarHBondContact O-CB 3Å; R232-E236 PolarHBondContact O-N 2.87Å; E236-K238 PolarHBondContact O-N 3.29Å; E236-S239 WeakPolarHBondContact O-CB 3.44Å; E236-S239 PolarHBondContact O-N 3.36Å; E236-S239 VanDerWaalsContact O-N 3.16Å; E236-K240 HydrophobicContact CG-CD 4.38Å; E236-K240 WeakPolarHBondContact O-CG 3.37Å; E236-K240 PolarHBondContact O-N 3.22Å; E236-K240 WeakPolarHBondContact OE1-CE 3.38Å; E236-K240 IonicContact OE1-NZ 3.66Å; E236-K240 PolarHBondContact OE1-NZ 3.13Å
237T97.1Very high93.3Very high80 Ų8095.6 Ų95.649%0.49148%0.483SS..Hα-helixtrans-62.4-43.6175.9-61.30000111.4H233 S239 K240 C241H233-T237 WeakPolarHBondContact O-CB 3.36Å; H233-T237 PolarHBondContact O-N 2.95Å; H233-T237 PolarHBondContact O-OG1 3Å; T237-S239 VanDerWaalsContact C-N 3.3Å; T237-S239 PolarHBondContact O-N 2.89Å; T237-K240 PolarHBondContact O-N 3.3Å; T237-C241 WeakPolarHBondContact O-CB 3.41Å; T237-C241 PolarHBondContact O-N 2.87Å; T237-C241 PolarHBondContact O-SG 2.83Å
238K97.1Very high94.3Very high144 Ų14495.5 Ų95.563%0.62648%0.484SS*.Hα-helixtrans-59.2-40.7173-76.6168.4178.81760111.6V234 K235 E236 C241 K242V234-K238 HydrophobicContact CG1-CD 4Å; V234-K238 WeakPolarHBondContact O-CB 3.27Å; V234-K238 WeakPolarHBondContact O-CG 3.49Å; V234-K238 PolarHBondContact O-N 3.45Å; K235-K238 PolarHBondContact O-N 2.92Å; E236-K238 PolarHBondContact O-N 3.29Å; K238-C241 PolarHBondContact O-N 3.47Å; K238-K242 WeakPolarHBondContact O-CB 3.49Å; K238-K242 PolarHBondContact O-N 2.86Å
239S97.2Very high94.7Very high73 Ų7396.1 Ų96.151%0.5149%0.487SS..Hα-helixtrans-64.6-49.8176.8-1670000111.8K235 E236 T237 C241 K242 Q243K235-S239 WeakPolarHBondContact O-CB 3.18Å; K235-S239 PolarHBondContact O-N 3.29Å; E236-S239 WeakPolarHBondContact O-CB 3.44Å; E236-S239 PolarHBondContact O-N 3.36Å; E236-S239 VanDerWaalsContact O-N 3.16Å; T237-S239 VanDerWaalsContact C-N 3.3Å; T237-S239 PolarHBondContact O-N 2.89Å; S239-C241 VanDerWaalsContact C-N 3.33Å; S239-C241 PolarHBondContact O-N 3.36Å; S239-K242 WeakPolarHBondContact O-CA 3.37Å; S239-K242 WeakPolarHBondContact O-CB 3.45Å; S239-K242 PolarHBondContact O-N 3.28Å; S239-Q243 PolarHBondContact O-N 3.46Å
240K97.6Very high95Very high104 Ų10495.2 Ų95.245%0.45249%0.487SS..Hα-helixtrans-57.8-43.3174.5-71.3174.1-179.3171.80111.8E236 T237 Q243 I244E236-K240 HydrophobicContact CG-CD 4.38Å; E236-K240 WeakPolarHBondContact O-CG 3.37Å; E236-K240 PolarHBondContact O-N 3.22Å; E236-K240 WeakPolarHBondContact OE1-CE 3.38Å; E236-K240 IonicContact OE1-NZ 3.66Å; E236-K240 PolarHBondContact OE1-NZ 3.13Å; T237-K240 PolarHBondContact O-N 3.3Å; K240-Q243 PolarHBondContact O-N 3.24Å; K240-I244 VanDerWaalsContact O-CG1 3.28Å; K240-I244 WeakPolarHBondContact O-CG1 3.22Å; K240-I244 PolarHBondContact O-N 2.97Å
241C96.1Very high95.1Very high75 Ų7592.4 Ų92.451%0.50747%0.469SS..Hα-helixtrans-64.6-37.2174-70.90000113T237 K238 S239 A245T237-C241 WeakPolarHBondContact O-CB 3.41Å; T237-C241 PolarHBondContact O-N 2.87Å; T237-C241 PolarHBondContact O-SG 2.83Å; K238-C241 PolarHBondContact O-N 3.47Å; S239-C241 VanDerWaalsContact C-N 3.33Å; S239-C241 PolarHBondContact O-N 3.36Å; C241-A245 VanDerWaalsContact O-CB 3.28Å; C241-A245 WeakPolarHBondContact O-CB 3.41Å; C241-A245 PolarHBondContact O-N 3.09Å
242K96.2Very high95Very high140 Ų14095.6 Ų95.661%0.60950%0.496SS*.Hα-helixtrans-64.5-44.5174.3-176.8-176.2177.6-173.90111.3K238 S239 A245 Q246K238-K242 WeakPolarHBondContact O-CB 3.49Å; K238-K242 PolarHBondContact O-N 2.86Å; S239-K242 WeakPolarHBondContact O-CA 3.37Å; S239-K242 WeakPolarHBondContact O-CB 3.45Å; S239-K242 PolarHBondContact O-N 3.28Å; K242-A245 PolarHBondContact O-N 2.91Å; K242-Q246 WeakPolarHBondContact O-CG 3.34Å; K242-Q246 PolarHBondContact O-N 3.37Å
243Q97.3Very high94.8Very high114 Ų11493 Ų9353%0.53349%0.493SS..Hα-helixtrans-62.7-47.5176.5-170.6-177.214.700111.6S239 K240 A245 Q246 L247S239-Q243 PolarHBondContact O-N 3.46Å; K240-Q243 PolarHBondContact O-N 3.24Å; Q243-A245 VanDerWaalsContact C-N 3.31Å; Q243-A245 PolarHBondContact O-N 2.95Å; Q243-Q246 WeakPolarHBondContact O-CB 3.45Å; Q243-Q246 PolarHBondContact O-N 3.23Å; Q243-L247 WeakPolarHBondContact O-CG 3.25Å; Q243-L247 PolarHBondContact O-N 3.4Å
244I95Very high94.5Very high96 Ų9693.4 Ų93.449%0.49250%0.504SS..Hα-helixtrans-61.5-40.1175.3-67164.8000111K240 L247 L248K240-I244 VanDerWaalsContact O-CG1 3.28Å; K240-I244 WeakPolarHBondContact O-CG1 3.22Å; K240-I244 PolarHBondContact O-N 2.97Å; I244-L247 PolarHBondContact O-N 3.15Å; I244-L248 HydrophobicContact CG2-CD1 3.95Å; I244-L248 HydrophobicContact CG2-CG 4.43Å; I244-L248 WeakPolarHBondContact O-CB 3.28Å; I244-L248 VanDerWaalsContact O-CG 3.29Å; I244-L248 WeakPolarHBondContact O-CG 3.49Å; I244-L248 PolarHBondContact O-N 3.22Å
245A95.2Very high94.2Very high31 Ų3196.5 Ų96.526%0.25651%0.514SS..Hα-helixtrans-63.4-40.2175.200000112.2C241 K242 Q243 L248 V249 F262C241-A245 VanDerWaalsContact O-CB 3.28Å; C241-A245 WeakPolarHBondContact O-CB 3.41Å; C241-A245 PolarHBondContact O-N 3.09Å; K242-A245 PolarHBondContact O-N 2.91Å; Q243-A245 VanDerWaalsContact C-N 3.31Å; Q243-A245 PolarHBondContact O-N 2.95Å; A245-L248 PolarHBondContact O-N 3.35Å; A245-V249 WeakPolarHBondContact O-CG2 3.43Å; A245-V249 PolarHBondContact O-N 3.11Å; A245-F262 HydrophobicContact CB-CE2 3.92Å; A245-F262 HydrophobicContact CB-CZ 4.04Å
246Q94.9Very high94.1Very high106 Ų10696.3 Ų96.350%0.49552%0.517SS..Hα-helixtrans-63.2-44.4173.9-73.6171-24.300111.8K242 Q243 L248 V249 N250K242-Q246 WeakPolarHBondContact O-CG 3.34Å; K242-Q246 PolarHBondContact O-N 3.37Å; Q243-Q246 WeakPolarHBondContact O-CB 3.45Å; Q243-Q246 PolarHBondContact O-N 3.23Å; Q246-L248 VanDerWaalsContact C-N 3.25Å; Q246-L248 PolarHBondContact O-N 3.24Å; Q246-V249 PolarHBondContact O-N 3.32Å; Q246-V249 VanDerWaalsContact O-N 3.15Å; Q246-N250 PolarHBondContact O-N 2.94Å
247L95.4Very high94.1Very high115 Ų115100.2 Ų100.260%0.60253%0.533SS*.Hα-helixtrans-63-28.9175-68171.3000113.2Q243 I244 A251Q243-L247 WeakPolarHBondContact O-CG 3.25Å; Q243-L247 PolarHBondContact O-N 3.4Å; I244-L247 PolarHBondContact O-N 3.15Å; L247-A251 VanDerWaalsContact O-CA 3.31Å; L247-A251 WeakPolarHBondContact O-CA 3.4Å; L247-A251 WeakPolarHBondContact O-CB 3.21Å; L247-A251 PolarHBondContact O-N 2.99Å
248L94.9Very high94Very high54 Ų5497.7 Ų97.728%0.28352%0.522SS..Hα-helixtrans-84.8-17.6175.2-69.6173.4000114I244 A245 Q246 F262I244-L248 HydrophobicContact CG2-CD1 3.95Å; I244-L248 HydrophobicContact CG2-CG 4.43Å; I244-L248 WeakPolarHBondContact O-CB 3.28Å; I244-L248 VanDerWaalsContact O-CG 3.29Å; I244-L248 WeakPolarHBondContact O-CG 3.49Å; I244-L248 PolarHBondContact O-N 3.22Å; A245-L248 PolarHBondContact O-N 3.35Å; Q246-L248 VanDerWaalsContact C-N 3.25Å; Q246-L248 PolarHBondContact O-N 3.24Å; L248-F262 HydrophobicContact CB-CB 4.17Å; L248-F262 HydrophobicContact CB-CD1 4.37Å; L248-F262 HydrophobicContact CB-CD2 4.22Å; L248-F262 HydrophobicContact CB-CG 3.99Å; L248-F262 HydrophobicContact CD1-CB 4.36Å; L248-F262 HydrophobicContact CD1-CD2 4.09Å; L248-F262 HydrophobicContact CD1-CG 4.43Å
249V93.1Very high93.9Very high87 Ų8791.1 Ų91.153%0.52750%0.495SS..Hα-helixtrans-82.1-49169173.10000110A245 Q246 A251 F262A245-V249 WeakPolarHBondContact O-CG2 3.43Å; A245-V249 PolarHBondContact O-N 3.11Å; Q246-V249 PolarHBondContact O-N 3.32Å; Q246-V249 VanDerWaalsContact O-N 3.15Å; V249-A251 VanDerWaalsContact C-N 3.25Å; V249-A251 PolarHBondContact O-N 2.78Å; V249-F262 HydrophobicContact CG2-CD1 4.26Å; V249-F262 HydrophobicContact CG2-CE1 3.47Å; V249-F262 VanDerWaalsContact CG2-CE1 3.47Å; V249-F262 HydrophobicContact CG2-CZ 4.1Å
250N92.7Very high93.8Very high128 Ų12890.2 Ų90.268%0.68448%0.484SS*.SBendtrans-92.532.3-177.8-61-5.8000111.8Q246 P252Q246-N250 PolarHBondContact O-N 2.94Å; N250-P252 WeakPolarHBondContact O-CD 3.34Å
251A90.6Very high93.8Very high20 Ų2090.6 Ų90.617%0.16549%0.491CS..  trans-67.6124.1-174.600000111L247 V249 N253 A259L247-A251 VanDerWaalsContact O-CA 3.31Å; L247-A251 WeakPolarHBondContact O-CA 3.4Å; L247-A251 WeakPolarHBondContact O-CB 3.21Å; L247-A251 PolarHBondContact O-N 2.99Å; V249-A251 VanDerWaalsContact C-N 3.25Å; V249-A251 PolarHBondContact O-N 2.78Å; A251-N253 CarbonylContact O-C 3.52Å; A251-N253 PolarHBondContact O-N 3.02Å; A251-A259 HydrophobicContact CB-CB 3.85Å
252P89.6Confident93.8Very high142 Ų14290 Ų9092%0.92248%0.48SS*.SBendtrans-57.7-21.3-179.9-27.835.7000114.7N250N250-P252 WeakPolarHBondContact O-CD 3.34Å
253N88.8Confident93.7Very high95 Ų9589.1 Ų89.151%0.50848%0.476SS..SBendtrans-120.6102.7165.8-176.6-27.3000109.3A251 Q255 N256A251-N253 CarbonylContact O-C 3.52Å; A251-N253 PolarHBondContact O-N 3.02Å; N253-Q255 PolarHBondContact O-N 3.01Å; N253-Q255 WeakPolarHBondContact OD1-CA 3.36Å; N253-Q255 WeakPolarHBondContact OD1-CB 3.49Å; N253-Q255 PolarHBondContact OD1-N 2.92Å; N253-N256 VanDerWaalsContact O-CB 3.28Å; N253-N256 WeakPolarHBondContact O-CB 3.39Å; N253-N256 PolarHBondContact O-N 3.16Å; N253-N256 VanDerWaalsContact O-N 3.15Å; N253-N256 PolarHBondContact OD1-N 2.85Å
254P87.4Confident93.7Very high98 Ų9889 Ų8964%0.63647%0.474SS*.THydrogen-bonded Turntrans-70.2-13.8-178.128.4-35.5000113.6
255Q89.4Confident93.7Very high137 Ų13792 Ų9264%0.6448%0.479SS*.THydrogen-bonded Turntrans-91.4-0.2176.6-164.768.5-47.600112.4N253 K257N253-Q255 PolarHBondContact O-N 3.01Å; N253-Q255 WeakPolarHBondContact OD1-CA 3.36Å; N253-Q255 WeakPolarHBondContact OD1-CB 3.49Å; N253-Q255 PolarHBondContact OD1-N 2.92Å; Q255-K257 PolarHBondContact O-N 3.36Å
256N94Very high93.6Very high92 Ų9299 Ų9949%0.49250%0.499SS..SBendtrans-55.7134169-176.9-44.5000109.9N253 G258 A259 L260N253-N256 VanDerWaalsContact O-CB 3.28Å; N253-N256 WeakPolarHBondContact O-CB 3.39Å; N253-N256 PolarHBondContact O-N 3.16Å; N253-N256 VanDerWaalsContact O-N 3.15Å; N253-N256 PolarHBondContact OD1-N 2.85Å; N256-G258 PolarHBondContact O-N 3.33Å; N256-G258 PolarHBondContact OD1-N 2.81Å; N256-A259 HydrophobicContact CB-CB 4.46Å; N256-A259 PolarHBondContact O-N 3.29Å; N256-L260 PolarHBondContact O-N 3.09Å
257K95.7Very high93.5Very high173 Ų17399.2 Ų99.275%0.75250%0.499SS*.Hα-helixtrans-49.3-36.7-179.5-66178.4-179.1174.80113Q255 L261Q255-K257 PolarHBondContact O-N 3.36Å; K257-L261 VanDerWaalsContact O-CB 3.27Å; K257-L261 WeakPolarHBondContact O-CB 3.31Å; K257-L261 WeakPolarHBondContact O-CD1 3.45Å; K257-L261 WeakPolarHBondContact O-CG 3.33Å; K257-L261 PolarHBondContact O-N 3.14Å
258G94.9Very high93.6Very high27 Ų2799.6 Ų99.628%0.27849%0.493SS..Hα-helixtrans-64.3-52.3175.100000112.9N256 L260 L261 F262N256-G258 PolarHBondContact O-N 3.33Å; N256-G258 PolarHBondContact OD1-N 2.81Å; G258-L260 PolarHBondContact O-N 2.8Å; G258-L261 PolarHBondContact O-N 3.33Å; G258-F262 WeakPolarHBondContact O-CB 3.42Å; G258-F262 PolarHBondContact O-N 3.29Å
259A95.8Very high93.5Very high7 Ų799.8 Ų99.86%0.05850%0.496CS..Hα-helixtrans-63.1-41.417800000111.7A251 N256 F262 K263A251-A259 HydrophobicContact CB-CB 3.85Å; N256-A259 HydrophobicContact CB-CB 4.46Å; N256-A259 PolarHBondContact O-N 3.29Å; A259-F262 PolarHBondContact O-N 2.99Å; A259-K263 WeakPolarHBondContact O-CB 3.29Å; A259-K263 PolarHBondContact O-N 2.9Å
260L95.8Very high93.5Very high53 Ų53102.6 Ų102.628%0.27750%0.501SS..Hα-helixtrans-64.2-42.3176.4-176.163.2000112.3N256 G258 K264N256-L260 PolarHBondContact O-N 3.09Å; G258-L260 PolarHBondContact O-N 2.8Å; L260-K264 HydrophobicContact CD1-CD 4.49Å; L260-K264 HydrophobicContact CG-CD 4.45Å; L260-K264 WeakPolarHBondContact O-CB 3.47Å; L260-K264 WeakPolarHBondContact O-CG 3.41Å; L260-K264 PolarHBondContact O-N 2.87Å
261L96.6Very high93.3Very high113 Ų113104.4 Ų104.459%0.59250%0.503SS*.Hα-helixtrans-66.9-38174.5-75.4171.2000111.8K257 G258 R265K257-L261 VanDerWaalsContact O-CB 3.27Å; K257-L261 WeakPolarHBondContact O-CB 3.31Å; K257-L261 WeakPolarHBondContact O-CD1 3.45Å; K257-L261 WeakPolarHBondContact O-CG 3.33Å; K257-L261 PolarHBondContact O-N 3.14Å; G258-L261 PolarHBondContact O-N 3.33Å; L261-R265 WeakPolarHBondContact O-CB 2.87Å; L261-R265 PolarHBondContact O-N 2.93Å
262F96.4Very high92.9Very high62 Ų62111.6 Ų111.627%0.27253%0.527SS..Hα-helixtrans-63.1-49.5173.6-174.7-90000111.3A245 L248 V249 G258 A259 K264 R265 R266A245-F262 HydrophobicContact CB-CE2 3.92Å; A245-F262 HydrophobicContact CB-CZ 4.04Å; L248-F262 HydrophobicContact CB-CB 4.17Å; L248-F262 HydrophobicContact CB-CD1 4.37Å; L248-F262 HydrophobicContact CB-CD2 4.22Å; L248-F262 HydrophobicContact CB-CG 3.99Å; L248-F262 HydrophobicContact CD1-CB 4.36Å; L248-F262 HydrophobicContact CD1-CD2 4.09Å; L248-F262 HydrophobicContact CD1-CG 4.43Å; V249-F262 HydrophobicContact CG2-CD1 4.26Å; V249-F262 HydrophobicContact CG2-CE1 3.47Å; V249-F262 VanDerWaalsContact CG2-CE1 3.47Å; V249-F262 HydrophobicContact CG2-CZ 4.1Å; G258-F262 WeakPolarHBondContact O-CB 3.42Å; G258-F262 PolarHBondContact O-N 3.29Å; A259-F262 PolarHBondContact O-N 2.99Å; F262-K264 PolarHBondContact O-N 2.99Å; F262-R265 CarbonylContact O-C 3.55Å; F262-R265 PolarHBondContact O-N 2.73Å; F262-R265 VanDerWaalsContact O-N 3.09Å; F262-R266 PolarHBondContact O-N 3.45Å
263K94.3Very high92.6Very high121 Ų121108.9 Ų108.953%0.52651%0.508SS..Hα-helixtrans-55.7-50.4174.4-172174-179.2177.90111.2A259 R265 R266 Q267A259-K263 WeakPolarHBondContact O-CB 3.29Å; A259-K263 PolarHBondContact O-N 2.9Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 3.26Å; K263-R266 PolarHBondContact O-N 3.5Å; K263-Q267 WeakPolarHBondContact O-CB 3.32Å; K263-Q267 WeakPolarHBondContact O-CG 3.41Å; K263-Q267 PolarHBondContact O-N 2.94Å
264K96.3Very high91.1Very high112 Ų112111 Ų11149%0.48752%0.519SS..Hα-helixtrans-65.1-28.1176.1-72.8-176.7177-175.10113.3L260 F262 R268L260-K264 HydrophobicContact CD1-CD 4.49Å; L260-K264 HydrophobicContact CG-CD 4.45Å; L260-K264 WeakPolarHBondContact O-CB 3.47Å; L260-K264 WeakPolarHBondContact O-CG 3.41Å; L260-K264 PolarHBondContact O-N 2.87Å; F262-K264 PolarHBondContact O-N 2.99Å; K264-R268 WeakPolarHBondContact O-CG 3.47Å; K264-R268 PolarHBondContact O-N 2.81Å; K264-R268 PolarHBondContact O-NE 3.05Å
265R95.8Very high89.4Confident160 Ų160112.3 Ų112.360%0.60452%0.524SS*.Hα-helixtrans-74.8-46171.8179.257.2175.7167.50.4111.2L261 F262 K263 Q267 R268 V269L261-R265 WeakPolarHBondContact O-CB 2.87Å; L261-R265 PolarHBondContact O-N 2.93Å; F262-R265 CarbonylContact O-C 3.55Å; F262-R265 PolarHBondContact O-N 2.73Å; F262-R265 VanDerWaalsContact O-N 3.09Å; K263-R265 VanDerWaalsContact C-N 3.32Å; K263-R265 PolarHBondContact O-N 3.26Å; R265-Q267 PolarHBondContact O-N 2.86Å; R265-R268 PolarHBondContact O-N 2.87Å; R265-V269 WeakPolarHBondContact O-CG2 3.41Å; R265-V269 PolarHBondContact O-N 3.3Å
266R93.7Very high87.5Confident177 Ų177110 Ų11067%0.66852%0.523SS*.Hα-helixtrans-61.2-41.6176.9-169.2-179.7-176.7-136.60.8111.8F262 K263 V269 K270F262-R266 PolarHBondContact O-N 3.45Å; K263-R266 PolarHBondContact O-N 3.5Å; R266-V269 PolarHBondContact O-N 3.34Å; R266-K270 PolarHBondContact O-N 3.11Å
267Q93.3Very high85Confident110 Ų110116.2 Ų116.251%0.51454%0.542SS..Hα-helixtrans-60.5-46.2173.2-75.6171.2-40.200112.2K263 R265 K270 K271K263-Q267 WeakPolarHBondContact O-CB 3.32Å; K263-Q267 WeakPolarHBondContact O-CG 3.41Å; K263-Q267 PolarHBondContact O-N 2.94Å; R265-Q267 PolarHBondContact O-N 2.86Å; Q267-K270 PolarHBondContact O-N 3.41Å; Q267-K271 WeakPolarHBondContact O-CB 3.44Å; Q267-K271 PolarHBondContact O-N 3.14Å
268R95.6Very high82.9Confident124 Ų124112.3 Ų112.347%0.46855%0.55SS.*Hα-helixtrans-62-43175-76.8176.2-68.9179.51.8111.9K264 R265 K271 Y272K264-R268 WeakPolarHBondContact O-CG 3.47Å; K264-R268 PolarHBondContact O-N 2.81Å; K264-R268 PolarHBondContact O-NE 3.05Å; R265-R268 PolarHBondContact O-N 2.87Å; R268-K271 PolarHBondContact O-N 3.31Å; R268-Y272 HydrophobicContact CB-CD2 4.28Å; R268-Y272 HydrophobicContact CB-CE2 4.29Å; R268-Y272 HydrophobicContact CG-CE2 4.41Å; R268-Y272 WeakPolarHBondContact O-CD2 3.31Å; R268-Y272 PolarHBondContact O-N 3.44Å
269V94.5Very high79.9Confident57 Ų57117.1 Ų117.135%0.34558%0.575SS.*Hα-helixtrans-62-48.1175.11730000110.8R265 R266 K271 Y272 T273R265-V269 WeakPolarHBondContact O-CG2 3.41Å; R265-V269 PolarHBondContact O-N 3.3Å; R266-V269 PolarHBondContact O-N 3.34Å; V269-K271 VanDerWaalsContact C-N 3.29Å; V269-K271 PolarHBondContact O-N 2.8Å; V269-Y272 PolarHBondContact O-N 3.07Å; V269-Y272 VanDerWaalsContact O-N 3.13Å; V269-T273 VanDerWaalsContact O-CB 3.22Å; V269-T273 WeakPolarHBondContact O-CB 3.41Å; V269-T273 PolarHBondContact O-N 2.99Å; V269-T273 PolarHBondContact O-OG1 3.15Å
270K91.9Very high77.4Confident147 Ų147119.8 Ų119.864%0.63960%0.603SS**Hα-helixtrans-56.8-42.2174.9-169178.5-179.9-176.50111.6R266 Q267 Y272 L274R266-K270 PolarHBondContact O-N 3.11Å; Q267-K270 PolarHBondContact O-N 3.41Å; K270-Y272 PolarHBondContact O-N 3.23Å; K270-L274 WeakPolarHBondContact O-CB 3.44Å; K270-L274 PolarHBondContact O-N 3.28Å
271K89.7Confident74.5Confident165 Ų165124 Ų12472%0.71763%0.631SS**Hα-helixtrans-68.5-27.1178.8-174.1165.3-177.6168.80114.4Q267 R268 V269Q267-K271 WeakPolarHBondContact O-CB 3.44Å; Q267-K271 PolarHBondContact O-N 3.14Å; R268-K271 PolarHBondContact O-N 3.31Å; V269-K271 VanDerWaalsContact C-N 3.29Å; V269-K271 PolarHBondContact O-N 2.8Å
272Y80.7Confident71.6Confident171 Ų171126 Ų12667%0.67164%0.637SS**Hα-helixtrans-110.7-0.6-175.9-62.2-55.1000114.8R268 V269 K270R268-Y272 HydrophobicContact CB-CD2 4.28Å; R268-Y272 HydrophobicContact CB-CE2 4.29Å; R268-Y272 HydrophobicContact CG-CE2 4.41Å; R268-Y272 WeakPolarHBondContact O-CD2 3.31Å; R268-Y272 PolarHBondContact O-N 3.44Å; V269-Y272 PolarHBondContact O-N 3.07Å; V269-Y272 VanDerWaalsContact O-N 3.13Å; K270-Y272 PolarHBondContact O-N 3.23Å
273T83.1Confident68.5Low86 Ų86126.2 Ų126.253%0.52865%0.65SS.*Hα-helixtrans-127.2-4.4-176.9-49.20000112.9V269 V275V269-T273 VanDerWaalsContact O-CB 3.22Å; V269-T273 WeakPolarHBondContact O-CB 3.41Å; V269-T273 PolarHBondContact O-N 2.99Å; V269-T273 PolarHBondContact O-OG1 3.15Å; T273-V275 PolarHBondContact O-N 3.26Å
274L58.6Low65.7Low139 Ų139129.2 Ų129.273%0.72866%0.663SS**THydrogen-bonded Turntrans-78.353.4172.8-167.471.1000111.9K270K270-L274 WeakPolarHBondContact O-CB 3.44Å; K270-L274 PolarHBondContact O-N 3.28Å
275V51.4Low62.6Low125 Ų125130.6 Ų130.676%0.75868%0.676SS**THydrogen-bonded Turntrans-140.213.8-179.9-1600000110.9T273T273-V275 PolarHBondContact O-N 3.26Å
276S49.8Very low60Low88 Ų88128.2 Ų128.262%0.61568%0.684SS**SBendtrans-148.133.4-163.8-51.20000115.6
277Y40.8Very low57.1Low223 Ų223125.1 Ų125.188%0.87569%0.689SS**SBendtrans-136.6134.5153.9-72.5-73.1000108.6T279Y277-T279 PolarHBondContact O-N 2.87Å
278G51.9Low54Low91 Ų91123.8 Ų123.894%0.93871%0.705SS**  trans-78.980.8-172.900000112.4
279T32.4Very low50.9Low129 Ų129126.8 Ų126.879%0.79172%0.724SS**  trans-128.6122.7167.7-48.70000107.8Y277Y277-T279 PolarHBondContact O-N 2.87Å
280G43.4Very low48Very low63 Ų63131.6 Ų131.665%0.64975%0.747SS**  trans-72.2-178.1-18000000113.1
281V34.9Very low45.2Very low142 Ų142133.9 Ų133.986%0.86176%0.76SS**  trans58.574.1170.5-159.40000114.8A283V281-A283 HydrophobicContact CG1-CB 4.5Å
282H35.8Very low42.4Very low154 Ų154129.6 Ų129.671%0.71376%0.762SS**  trans-112.568.6140-166.2-51.4000108.8F284H282-F284 AromaticContact CE1-CD2 3.54Å; H282-F284 AromaticContact CE1-CE2 3.32Å; H282-F284 WeakPolarHBondContact CE1-CE2 3.45Å; H282-F284 AromaticContact CE1-CZ 3.98Å; H282-F284 AromaticContact ND1-CD2 3.61Å; H282-F284 AromaticContact ND1-CE2 3.84Å; H282-F284 PolarHBondContact O-N 3.33Å
283A31.6Very low40.1Very low67 Ų67129.9 Ų129.955%0.55477%0.77SS**  trans-63107.7170.400000108.9V281 D285V281-A283 HydrophobicContact CG1-CB 4.5Å; A283-D285 HydrophobicContact CB-CB 4.28Å; A283-D285 PolarHBondContact O-N 2.97Å
284F35.6Very low37.8Very low184 Ų184132.3 Ų132.381%0.80779%0.785SS**  trans-75.774.5153.3-98.3-77.1000106.6H282 S286H282-F284 AromaticContact CE1-CD2 3.54Å; H282-F284 AromaticContact CE1-CE2 3.32Å; H282-F284 WeakPolarHBondContact CE1-CE2 3.45Å; H282-F284 AromaticContact CE1-CZ 3.98Å; H282-F284 AromaticContact ND1-CD2 3.61Å; H282-F284 AromaticContact ND1-CE2 3.84Å; H282-F284 PolarHBondContact O-N 3.33Å; F284-S286 PolarHBondContact O-N 2.74Å
285D31.3Very low36.6Very low141 Ų141132.6 Ų132.675%0.75479%0.787SS**  trans-77105.3-178.6-152.9-11.9000108.9A283A283-D285 HydrophobicContact CB-CB 4.28Å; A283-D285 PolarHBondContact O-N 2.97Å
286S40.9Very low35.7Very low110 Ų110136.2 Ų136.277%0.76979%0.793SS**  trans-150.239.7-171.1-150.10000112.1F284F284-S286 PolarHBondContact O-N 2.74Å
287S32.9Very low35Very low111 Ų111136.9 Ų136.978%0.77680%0.803SS**SBendtrans-170.6118.5157.155.20000111.9
288G27.1Very low34.5Very low83 Ų83137.4 Ų137.486%0.85680%0.803SS**  trans12969.3155.400000117.7
289Q30.6Very low33.5Very low186 Ų186137.7 Ų137.787%0.86979%0.791SS**  trans-119.194.4149.7-165.7169.925.200110.1
290I33.4Very low33.3Very low158 Ų158136.6 Ų136.681%0.8180%0.795SS**  trans47.5133.3142-55.3176.5000118.8
291E33.3Very low32.7Very low196 Ų196136.7 Ų136.792%0.91680%0.796SS**  trans-66.8151.2178.9-62.2177.7115.600113.6
292G30.3Very low32.4Very low75 Ų75139.7 Ų139.777%0.77379%0.794SS**  trans-159.363-178.900000112.3
293E34Very low32.2Very low176 Ų176137.2 Ų137.282%0.82279%0.794SS**  trans33.2111.3153.4-161.8-178.3168.600119.9
294T32.9Very low32.2Very low137 Ų137141.4 Ų141.484%0.8480%0.8SS**  173.3155.4122.630.60000113.6
295D33.4Very low32.5Very low145 Ų145138.2 Ų138.278%0.77580%0.797SS**  trans-67.4135179.4-64.5-65.5000115.2
296K33.1Very low32.5Very low202 Ų202134.5 Ų134.588%0.87879%0.792SS**  -178.6147.8102.3-101.8144.5-169.2143.50114.8
297A35.1Very low32.4Very low101 Ų101135.4 Ų135.484%0.83580%0.798SS**  trans-78.4135.5177.400000113.4
298R30.3Very low32.3Very low234 Ų234135.5 Ų135.588%0.88380%0.799SS**  trans-149.898.4154.2-178.2156.6-89.4-159.5-5.7113.9
299S30.7Very low32.9Very low98 Ų98139.9 Ų139.969%0.68580%0.803SS**  trans49.3142.4140.471.70000122.8
300A29.6Very low33.2Very low106 Ų106135 Ų13588%0.87679%0.789SS**  trans70152.2149.200000116.6
301G29Very low33.7Very low65 Ų65135.1 Ų135.167%0.6779%0.792SS**  cis172.682.9-1.100000109.7S303G301-S303 PolarHBondContact O-N 3.01Å
302Y29.3Very low33.7Very low205 Ų205134.9 Ų134.980%0.80479%0.788SS**  trans-51.9118.1-176.1175.6-88.5000112.1F304Y302-F304 HydrophobicContact CE1-CD2 4.2Å; Y302-F304 AromaticContact CE2-CD2 3.76Å; Y302-F304 HydrophobicContact CE2-CD2 3.76Å; Y302-F304 AromaticContact CE2-CE2 3.7Å; Y302-F304 HydrophobicContact CE2-CE2 3.7Å; Y302-F304 AromaticContact CZ-CD2 3.51Å; Y302-F304 AromaticContact CZ-CE2 3.76Å; Y302-F304 WeakPolarHBondContact OH-CD2 3.49Å; Y302-F304 WeakPolarHBondContact OH-CE2 3.43Å
303S31Very low34.3Very low102 Ų102139 Ų13971%0.71379%0.787SS**  trans-147108.5168.3-171.30000110.3G301G301-S303 PolarHBondContact O-N 3.01Å
304F33.2Very low34.9Very low155 Ų155139.4 Ų139.468%0.6879%0.789SS**  trans-69.1138.1165-96.6-109.5000109.7Y302Y302-F304 HydrophobicContact CE1-CD2 4.2Å; Y302-F304 AromaticContact CE2-CD2 3.76Å; Y302-F304 HydrophobicContact CE2-CD2 3.76Å; Y302-F304 AromaticContact CE2-CE2 3.7Å; Y302-F304 HydrophobicContact CE2-CE2 3.7Å; Y302-F304 AromaticContact CZ-CD2 3.51Å; Y302-F304 AromaticContact CZ-CE2 3.76Å; Y302-F304 WeakPolarHBondContact OH-CD2 3.49Å; Y302-F304 WeakPolarHBondContact OH-CE2 3.43Å
305P40.6Very low35.4Very low117 Ų117141.9 Ų141.976%0.7679%0.791SS**  -117.5160.8114.134.5-33.6000110.9
306G31.6Very low35.5Very low63 Ų63143.9 Ų143.965%0.64979%0.789SS**  cis126.469.14.900000111.7
307S38.2Very low35.7Very low128 Ų128142.8 Ų142.890%0.89579%0.785SS**  trans52.4107.3169.9-60.20000118.2
308S31.3Very low36Very low113 Ų113146.4 Ų146.479%0.7978%0.784SS**  trans-145.1135.2135.5-160.70000110.3
309D41.2Very low36.3Very low176 Ų176143.7 Ų143.794%0.94178%0.781SS**  trans-98.9109.6168.8-170.413.3000105.5
310S35.8Very low36.7Very low83 Ų83148.1 Ų148.158%0.5879%0.791SS**  trans-155139.1-165.6-1730000111.8F312S310-F312 PolarHBondContact O-N 3.47Å
311D43.2Very low37.2Very low160 Ų160149.7 Ų149.786%0.85678%0.78SS**  trans-64110.6-178.7-64.3-73.8000112.9
312F33.6Very low37.7Very low191 Ų191155.6 Ų155.684%0.83878%0.783SS**  trans-151.383.2164.8-90.4-74.3000111.3S310S310-F312 PolarHBondContact O-N 3.47Å
313E44.3Very low37.7Very low163 Ų163154.8 Ų154.876%0.76279%0.787SS**  trans-139.542164.9-171.6112.3-123.400110.3
314E46.4Very low38.1Very low184 Ų184157.6 Ų157.686%0.8679%0.794SS**  trans-121.335.1178.6-156.4154.3-115.200112
315Q41.8Very low38.3Very low189 Ų189155.2 Ų155.288%0.88379%0.794SS**SBendtrans-13935173.2-108.2-177.416.700113.1
316Y35.8Very low37.9Very low187 Ų187154.4 Ų154.473%0.73380%0.796SS**  trans-127.326.7177.9-128.6-80.2000114.5
317F38.7Very low38Very low179 Ų179158.9 Ų158.979%0.78581%0.805SS**  trans-126.966.3-177.3-71.8-72.2000113.1
318Q40Very low37.7Very low177 Ų177159.2 Ų159.283%0.82780%0.802SS**SBendtrans-147.6-10.6168.7-159.647.781.200117.2
319H37.5Very low37.8Very low177 Ų177166.2 Ų166.282%0.81981%0.811SS**SBendtrans-125.423.7-167.2-142.2-62.1000117.2
320H39Very low37.3Very low191 Ų191161 Ų16188%0.88480%0.799SS**  trans-131.855.1172.1-69.1-44.2000112.7
321Q40.6Very low37.1Very low139 Ų139162.3 Ų162.365%0.6581%0.808SS**SBendtrans-121.9140.4159.5-163173.4-32.400106.8
322Y38.5Very low37.1Very low189 Ų189158.7 Ų158.774%0.74181%0.809SS**SBendtrans63.393.8-172.8-44.8-76.6000115.2
323H29.8Very low37.6Very low188 Ų188158.3 Ų158.387%0.8781%0.809SS**  -177.5141.3111.9-97.3-74.9000109.2
324N38.3Very low37.5Very low161 Ų161156.9 Ų156.986%0.86181%0.807SS**  trans-146.278.3-178-172.147.6000109.1
325P38.5Very low37.3Very low105 Ų105154.9 Ų154.968%0.68280%0.799SS**PPolyproline II helixtrans-74.6129.6-179.330.3-32.7000110.4
326A32.4Very low37.6Very low99 Ų99153.8 Ų153.882%0.81880%0.8SS**PPolyproline II helixtrans-72.1136.2164.300000108.9
327L33.6Very low38.2Very low158 Ų158150.5 Ų150.583%0.82780%0.799SS**PPolyproline II helixtrans-99.3121.6173.3-79.5167.6000109.5
328T30.4Very low38.3Very low135 Ų135148.1 Ų148.183%0.82879%0.794SS**PPolyproline II helixtrans-78.3126174.847.20000110.1G330T328-G330 PolarHBondContact O-N 3.45Å
329W35.1Very low38.7Very low259 Ų259144.6 Ų144.698%0.98179%0.786SS**  trans-81.4100167-6692000108.5
330G30Very low39.6Very low67 Ų67143.4 Ų143.469%0.69178%0.781SS**  trans-101.2150.5176.100000112T328T328-G330 PolarHBondContact O-N 3.45Å
331S31.4Very low40.4Very low110 Ų110138.4 Ų138.477%0.76976%0.764SS**  trans29.2109.1175.7-70.30000118.6E333S331-E333 PolarHBondContact O-N 3.46Å
332G43.9Very low41.6Very low85 Ų85139.9 Ų139.988%0.87677%0.768SS**  trans-84.3101.7153.700000109.8
333E44.3Very low43.4Very low182 Ų182132.7 Ų132.785%0.8575%0.752SS**  trans-149.8-4.7173.9-133.1159.7-149.700113.6S331S331-E333 PolarHBondContact O-N 3.46Å
334D41.4Very low45.7Very low133 Ų133132.6 Ų132.671%0.71175%0.749SS**  trans-129.575.1-177.6-171.118.3000110.8
335M42.3Very low47.8Very low142 Ų142127.8 Ų127.870%0.774%0.737SS**  trans-125.3-11.3177.9-84-60.5-38.400114.2
336D47.7Very low50Low166 Ų166125.7 Ų125.789%0.88872%0.719SS**SBendtrans-95.3-6.1-175.3-70.4-59.3000114.1
337V48.8Very low52.3Low118 Ų118125 Ų12572%0.71571%0.705SS**  trans-108.865.1175.4-166.10000111.2
338L40.2Very low54.8Low130 Ų130123.3 Ų123.368%0.68169%0.694SS**  trans-66.6128.5164.9-77.5171.5000109.7
339P48.7Very low57.7Low102 Ų102122.9 Ų122.966%0.66268%0.681SS**  trans-61.6141.7175.826.2-34.2000110.3T341P339-T341 PolarHBondContact O-N 3.09Å
340E56.6Low60.2Low153 Ų153114.7 Ų114.772%0.71565%0.654SS**  trans-55.690.7-167.3-55.4179.5122.200113.6K342E340-K342 VanDerWaalsContact C-N 3.26Å; E340-K342 HydrophobicContact CB-CG 4.3Å; E340-K342 VanDerWaalsContact CD-CE 3.45Å; E340-K342 PolarHBondContact O-N 3.04Å; E340-K342 IonicContact OE1-NZ 3.61Å; E340-K342 WeakPolarHBondContact OE2-CE 3.28Å; E340-K342 IonicContact OE2-NZ 2.63Å; E340-K342 PolarHBondContact OE2-NZ 3.35Å
341T56.4Low63Low85 Ų85116.6 Ų116.652%0.52165%0.645SS.*  trans-82.170.7-176.839.60000111.3P339 G343 L346P339-T341 PolarHBondContact O-N 3.09Å; T341-G343 VanDerWaalsContact C-N 3.26Å; T341-G343 PolarHBondContact O-N 2.82Å; T341-L346 WeakPolarHBondContact O-CD2 3.4Å
342K64.9Low65.9Low171 Ų171118.2 Ų118.274%0.74363%0.634SS**  trans-62.675.8-177.2-64.4175.2-167.7-179.10112.4E340E340-K342 VanDerWaalsContact C-N 3.26Å; E340-K342 HydrophobicContact CB-CG 4.3Å; E340-K342 VanDerWaalsContact CD-CE 3.45Å; E340-K342 PolarHBondContact O-N 3.04Å; E340-K342 IonicContact OE1-NZ 3.61Å; E340-K342 WeakPolarHBondContact OE2-CE 3.28Å; E340-K342 IonicContact OE2-NZ 2.63Å; E340-K342 PolarHBondContact OE2-NZ 3.35Å
343G76.6Confident68.1Low38 Ų38121.5 Ų121.539%0.39262%0.62SS.*SBendtrans-152.2150.7-17800000112.5T341 G345 L346T341-G343 VanDerWaalsContact C-N 3.26Å; T341-G343 PolarHBondContact O-N 2.82Å; G343-G345 PolarHBondContact O-N 3.43Å; G343-L346 PolarHBondContact O-N 3.49Å
344K78.9Confident70.3Confident186 Ų186119.8 Ų119.881%0.80961%0.609SS**Hα-helixtrans-57.5-21.9-175.2-66-170.6175.2-170.20114.4M348K344-M348 WeakPolarHBondContact O-CB 3.49Å; K344-M348 VanDerWaalsContact O-CG 3.25Å; K344-M348 WeakPolarHBondContact O-CG 3.4Å; K344-M348 PolarHBondContact O-N 2.75Å
345G82.8Confident72.8Confident59 Ų59119.4 Ų119.461%0.60860%0.598SS**Hα-helixtrans-64.6-39.2173.200000113.3G343 F349G343-G345 PolarHBondContact O-N 3.43Å; G345-F349 WeakPolarHBondContact O-CB 3.36Å; G345-F349 PolarHBondContact O-N 3.2Å; G345-F349 VanDerWaalsContact O-N 3.11Å
346L83.1Confident75.2Confident61 Ų61117 Ų11732%0.31959%0.587SS.*Hα-helixtrans-68.8-46.3176.2-17567.9000110.5T341 G343 M348 F349 E350T341-L346 WeakPolarHBondContact O-CD2 3.4Å; G343-L346 PolarHBondContact O-N 3.49Å; L346-M348 VanDerWaalsContact C-N 3.3Å; L346-M348 PolarHBondContact O-N 3.17Å; L346-F349 CarbonylContact O-C 3.53Å; L346-F349 WeakPolarHBondContact O-CA 3.5Å; L346-F349 WeakPolarHBondContact O-CB 3.41Å; L346-F349 PolarHBondContact O-N 3.28Å; L346-E350 HydrophobicContact CG-CG 4.44Å; L346-E350 WeakPolarHBondContact CG-OE1 3.21Å; L346-E350 PolarHBondContact O-N 3.21Å
347V81.8Confident77.3Confident84 Ų84113 Ų11351%0.50957%0.566SS.*Hα-helixtrans-57-42.1175.9-177.30000111.7F349 Q351V347-F349 VanDerWaalsContact C-N 3.27Å; V347-F349 PolarHBondContact O-N 3.39Å; V347-Q351 WeakPolarHBondContact O-CB 3.28Å; V347-Q351 PolarHBondContact O-N 3.3Å
348M86.3Confident79.3Confident123 Ų123112.4 Ų112.461%0.60656%0.555SS**Hα-helixtrans-67.6-24.9174.1-72.9-65.9-5900113.4K344 L346 R352K344-M348 WeakPolarHBondContact O-CB 3.49Å; K344-M348 VanDerWaalsContact O-CG 3.25Å; K344-M348 WeakPolarHBondContact O-CG 3.4Å; K344-M348 PolarHBondContact O-N 2.75Å; L346-M348 VanDerWaalsContact C-N 3.3Å; L346-M348 PolarHBondContact O-N 3.17Å; M348-R352 WeakPolarHBondContact O-CB 3.46Å; M348-R352 PolarHBondContact O-N 3.09Å; M348-R352 VanDerWaalsContact O-N 3.14Å
349F90.1Very high81.6Confident126 Ų126111.3 Ų111.355%0.55355%0.55SS*.Hα-helixtrans-81.9-43177-159.1-89.4000111.3G345 L346 V347 R352 R353G345-F349 WeakPolarHBondContact O-CB 3.36Å; G345-F349 PolarHBondContact O-N 3.2Å; G345-F349 VanDerWaalsContact O-N 3.11Å; L346-F349 CarbonylContact O-C 3.53Å; L346-F349 WeakPolarHBondContact O-CA 3.5Å; L346-F349 WeakPolarHBondContact O-CB 3.41Å; L346-F349 PolarHBondContact O-N 3.28Å; V347-F349 VanDerWaalsContact C-N 3.27Å; V347-F349 PolarHBondContact O-N 3.39Å; F349-R352 CarbonylContact O-C 3.55Å; F349-R352 WeakPolarHBondContact O-CA 3.33Å; F349-R352 WeakPolarHBondContact O-CB 3.39Å; F349-R352 PolarHBondContact O-N 3.02Å; F349-R352 VanDerWaalsContact O-N 3.11Å; F349-R353 HydrophobicContact CD1-CG 4.34Å; F349-R353 HydrophobicContact CE1-CG 4.32Å; F349-R353 PolarHBondContact O-N 3.46Å
350E87.2Confident83.5Confident87 Ų87110.1 Ų110.141%0.40754%0.54SS..Hα-helixtrans-60.4-44.4169.5-69.8169-173.900111.4L346 R352 R353 K354L346-E350 HydrophobicContact CG-CG 4.44Å; L346-E350 WeakPolarHBondContact CG-OE1 3.21Å; L346-E350 PolarHBondContact O-N 3.21Å; E350-R352 PolarHBondContact O-N 3.47Å; E350-R353 PolarHBondContact O-N 2.8Å; E350-K354 WeakPolarHBondContact O-CB 3.41Å; E350-K354 WeakPolarHBondContact O-CG 3.04Å; E350-K354 PolarHBondContact O-N 2.82Å
351Q90.6Very high84.7Confident107 Ų107105.7 Ų105.750%0.553%0.526SS..Hα-helixtrans-71.3-15.1174.7-163.6-178.423.800112.9V347 R355V347-Q351 WeakPolarHBondContact O-CB 3.28Å; V347-Q351 PolarHBondContact O-N 3.3Å; Q351-R355 WeakPolarHBondContact O-CG 3.31Å; Q351-R355 PolarHBondContact O-NE 2.95Å
352R91.3Very high85.8Confident145 Ų145106.8 Ų106.855%0.54753%0.525SS..Hα-helixtrans-82.1-43.2165.9169.5174.1-94.1174.8-7.6111.1M348 F349 E350 I356M348-R352 WeakPolarHBondContact O-CB 3.46Å; M348-R352 PolarHBondContact O-N 3.09Å; M348-R352 VanDerWaalsContact O-N 3.14Å; F349-R352 CarbonylContact O-C 3.55Å; F349-R352 WeakPolarHBondContact O-CA 3.33Å; F349-R352 WeakPolarHBondContact O-CB 3.39Å; F349-R352 PolarHBondContact O-N 3.02Å; F349-R352 VanDerWaalsContact O-N 3.11Å; E350-R352 PolarHBondContact O-N 3.47Å; R352-I356 HydrophobicContact CG-CD1 3.96Å; R352-I356 WeakPolarHBondContact O-CG1 3.38Å; R352-I356 PolarHBondContact O-N 3.3Å
353R90.9Very high86.2Confident153 Ų153105.4 Ų105.458%0.57752%0.522SS*.Hα-helixtrans-58.3-57.6174.1-76.3-173.263.1172.90.4110.4F349 E350 R355 I356 D357F349-R353 HydrophobicContact CD1-CG 4.34Å; F349-R353 HydrophobicContact CE1-CG 4.32Å; F349-R353 PolarHBondContact O-N 3.46Å; E350-R353 PolarHBondContact O-N 2.8Å; R353-R355 PolarHBondContact O-N 3.11Å; R353-R355 VanDerWaalsContact O-N 3.08Å; R353-I356 CarbonylContact O-C 3.6Å; R353-I356 WeakPolarHBondContact O-CA 3.28Å; R353-I356 WeakPolarHBondContact O-CB 3.16Å; R353-I356 PolarHBondContact O-N 3.19Å; R353-D357 PolarHBondContact O-N 3.34Å; R353-D357 VanDerWaalsContact O-OD2 3.05Å
354K90.6Very high86.3Confident146 Ų146110 Ų11064%0.63553%0.533SS*.Hα-helixtrans-51.6-39.2-179.6-72.9-177.5176.6-175.20113.6E350 D357 E358E350-K354 WeakPolarHBondContact O-CB 3.41Å; E350-K354 WeakPolarHBondContact O-CG 3.04Å; E350-K354 PolarHBondContact O-N 2.82Å; K354-D357 PolarHBondContact N-OD2 3.33Å; K354-D357 PolarHBondContact O-N 3.18Å; K354-E358 WeakPolarHBondContact O-CB 3.39Å; K354-E358 PolarHBondContact O-N 2.93Å
355R92.4Very high86Confident125 Ų125107.3 Ų107.347%0.47252%0.523SS..Hα-helixtrans-76.8-17.6176.2-71.6-175.8-58107.7-0.2115.1Q351 R353 L359Q351-R355 WeakPolarHBondContact O-CG 3.31Å; Q351-R355 PolarHBondContact O-NE 2.95Å; R353-R355 PolarHBondContact O-N 3.11Å; R353-R355 VanDerWaalsContact O-N 3.08Å; R355-L359 VanDerWaalsContact O-CD1 3.31Å; R355-L359 WeakPolarHBondContact O-CD1 3.37Å; R355-L359 VanDerWaalsContact O-CG 3.26Å; R355-L359 WeakPolarHBondContact O-CG 3.38Å; R355-L359 PolarHBondContact O-N 3.3Å
356I92.6Very high84.9Confident93 Ų93112.5 Ų112.548%0.47753%0.531SS..Hα-helixtrans-82.1-46.1168.6-68164.5000108.5R352 R353 E358 L359 V360R352-I356 HydrophobicContact CG-CD1 3.96Å; R352-I356 WeakPolarHBondContact O-CG1 3.38Å; R352-I356 PolarHBondContact O-N 3.3Å; R353-I356 CarbonylContact O-C 3.6Å; R353-I356 WeakPolarHBondContact O-CA 3.28Å; R353-I356 WeakPolarHBondContact O-CB 3.16Å; R353-I356 PolarHBondContact O-N 3.19Å; I356-E358 VanDerWaalsContact C-N 3.3Å; I356-E358 PolarHBondContact O-N 3.41Å; I356-L359 PolarHBondContact O-N 3.35Å; I356-V360 HydrophobicContact CG2-CG2 4.47Å; I356-V360 WeakPolarHBondContact O-CB 3.26Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.36Å; I356-V360 PolarHBondContact O-N 2.72Å
357D92.4Very high83.5Confident81 Ų81119.6 Ų119.643%0.43355%0.554SS.*Hα-helixtrans-59.8-41.3177.4-50.6-34.3000110.6R353 K354 V360 S361R353-D357 PolarHBondContact O-N 3.34Å; R353-D357 VanDerWaalsContact O-OD2 3.05Å; K354-D357 PolarHBondContact N-OD2 3.33Å; K354-D357 PolarHBondContact O-N 3.18Å; D357-V360 PolarHBondContact O-N 3Å; D357-S361 PolarHBondContact O-N 2.71Å; D357-S361 PolarHBondContact O-OG 2.89Å; D357-S361 VanDerWaalsContact O-OG 3.14Å
358E89.9Confident82.3Confident106 Ų106119.1 Ų119.150%0.49555%0.554SS.*Hα-helixtrans-60.6-49.9173.2-179.8176-147.500112.4K354 I356 V360 S361 E362K354-E358 WeakPolarHBondContact O-CB 3.39Å; K354-E358 PolarHBondContact O-N 2.93Å; I356-E358 VanDerWaalsContact C-N 3.3Å; I356-E358 PolarHBondContact O-N 3.41Å; E358-V360 VanDerWaalsContact C-N 3.31Å; E358-V360 PolarHBondContact O-N 2.89Å; E358-S361 WeakPolarHBondContact CA-OG 3.33Å; E358-S361 PolarHBondContact O-N 3.05Å; E358-S361 PolarHBondContact O-OG 3.31Å; E358-E362 WeakPolarHBondContact O-CG 3.46Å; E358-E362 PolarHBondContact O-N 2.94Å
359L88.6Confident80.7Confident107 Ų107121.6 Ų121.656%0.5657%0.565SS**Hα-helixtrans-65.1-32.6175.9-75.5169.5000112.9R355 I356 Q363R355-L359 VanDerWaalsContact O-CD1 3.31Å; R355-L359 WeakPolarHBondContact O-CD1 3.37Å; R355-L359 VanDerWaalsContact O-CG 3.26Å; R355-L359 WeakPolarHBondContact O-CG 3.38Å; R355-L359 PolarHBondContact O-N 3.3Å; I356-L359 PolarHBondContact O-N 3.35Å; L359-Q363 VanDerWaalsContact O-CB 3.27Å; L359-Q363 WeakPolarHBondContact O-CB 3.2Å; L359-Q363 PolarHBondContact O-N 2.94Å
360V89.3Confident78.4Confident76 Ų76118.6 Ų118.646%0.46157%0.569SS.*Hα-helixtrans-71.3-41.2174.3169.80000110.3I356 D357 E358 Q363 E364I356-V360 HydrophobicContact CG2-CG2 4.47Å; I356-V360 WeakPolarHBondContact O-CB 3.26Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.36Å; I356-V360 PolarHBondContact O-N 2.72Å; D357-V360 PolarHBondContact O-N 3Å; E358-V360 VanDerWaalsContact C-N 3.31Å; E358-V360 PolarHBondContact O-N 2.89Å; V360-Q363 PolarHBondContact O-N 2.83Å; V360-E364 WeakPolarHBondContact O-CB 3.47Å; V360-E364 PolarHBondContact O-N 2.84Å
361S81.6Confident75.8Confident61 Ų61123.6 Ų123.643%0.42759%0.59SS.*Hα-helixtrans-66.6-41.4173.952.90000112.6D357 E358 Q363 E364 E365D357-S361 PolarHBondContact O-N 2.71Å; D357-S361 PolarHBondContact O-OG 2.89Å; D357-S361 VanDerWaalsContact O-OG 3.14Å; E358-S361 WeakPolarHBondContact CA-OG 3.33Å; E358-S361 PolarHBondContact O-N 3.05Å; E358-S361 PolarHBondContact O-OG 3.31Å; S361-Q363 VanDerWaalsContact C-N 3.3Å; S361-Q363 PolarHBondContact O-N 3.12Å; S361-E364 PolarHBondContact O-N 2.87Å; S361-E365 WeakPolarHBondContact O-CB 3.31Å; S361-E365 PolarHBondContact O-N 2.86Å
362E79.6Confident73.5Confident107 Ų107124 Ų12450%0.560%0.602SS.*Hα-helixtrans-59.2-42.2172.9-74.6-177155.500110.8E358 E365 E366E358-E362 WeakPolarHBondContact O-CG 3.46Å; E358-E362 PolarHBondContact O-N 2.94Å; E362-E365 PolarHBondContact O-N 3.47Å; E362-E366 WeakPolarHBondContact O-CB 3.27Å; E362-E366 PolarHBondContact O-N 2.92Å
363Q73.1Confident71.5Confident143 Ų143125.1 Ų125.167%0.66861%0.613SS**Hα-helixtrans-71.4-26.8178.2-178.7166.758.100113.7L359 V360 S361 R367L359-Q363 VanDerWaalsContact O-CB 3.27Å; L359-Q363 WeakPolarHBondContact O-CB 3.2Å; L359-Q363 PolarHBondContact O-N 2.94Å; V360-Q363 PolarHBondContact O-N 2.83Å; S361-Q363 VanDerWaalsContact C-N 3.3Å; S361-Q363 PolarHBondContact O-N 3.12Å; Q363-R367 WeakPolarHBondContact O-CB 3.3Å; Q363-R367 PolarHBondContact O-N 2.9Å
364E78.3Confident69.4Low135 Ų135123.1 Ų123.163%0.63161%0.614SS**Hα-helixtrans-82.6-34.2173.6-170.4158.6-153.800111.4V360 S361 R367 S368V360-E364 WeakPolarHBondContact O-CB 3.47Å; V360-E364 PolarHBondContact O-N 2.84Å; S361-E364 PolarHBondContact O-N 2.87Å; E364-R367 CarbonylContact O-C 3.57Å; E364-R367 WeakPolarHBondContact O-CB 3.18Å; E364-R367 PolarHBondContact O-N 3.21Å; E364-S368 WeakPolarHBondContact O-CB 3.36Å; E364-S368 PolarHBondContact O-N 3.26Å
365E73Confident67.1Low128 Ų128122.2 Ų122.260%0.59862%0.62SS**Hα-helixtrans-67.2-50.6174.8-169.7167.4-166.500111S361 E362 R367 S368 E369S361-E365 WeakPolarHBondContact O-CB 3.31Å; S361-E365 PolarHBondContact O-N 2.86Å; E362-E365 PolarHBondContact O-N 3.47Å; E365-R367 PolarHBondContact O-N 3.28Å; E365-R367 VanDerWaalsContact O-N 3.09Å; E365-S368 WeakPolarHBondContact CA-OG 3.21Å; E365-S368 PolarHBondContact O-N 3.04Å; E365-S368 PolarHBondContact O-OG 3.14Å; E365-E369 PolarHBondContact O-N 3.47Å
366E60.3Low65Low168 Ų168122.9 Ų122.979%0.78563%0.632SS**Hα-helixtrans-58-22.4170.7-78.6-163.3159.600112.9E362E362-E366 WeakPolarHBondContact O-CB 3.27Å; E362-E366 PolarHBondContact O-N 2.92Å
367R53.9Low62.7Low210 Ų210123.7 Ų123.779%0.79263%0.633SS**Hα-helixtrans-85.5-26.1174.1-165.6-174.5-164.185.66.8112.7Q363 E364 E365Q363-R367 WeakPolarHBondContact O-CB 3.3Å; Q363-R367 PolarHBondContact O-N 2.9Å; E364-R367 CarbonylContact O-C 3.57Å; E364-R367 WeakPolarHBondContact O-CB 3.18Å; E364-R367 PolarHBondContact O-N 3.21Å; E365-R367 PolarHBondContact O-N 3.28Å; E365-R367 VanDerWaalsContact O-N 3.09Å
368S56.6Low60.6Low74 Ų74126.3 Ų126.352%0.51764%0.642SS.*Hα-helixtrans-89.6-29.9-176.374.80000113.7E364 E365 G370E364-S368 WeakPolarHBondContact O-CB 3.36Å; E364-S368 PolarHBondContact O-N 3.26Å; E365-S368 WeakPolarHBondContact CA-OG 3.21Å; E365-S368 PolarHBondContact O-N 3.04Å; E365-S368 PolarHBondContact O-OG 3.14Å; S368-G370 PolarHBondContact O-N 3.37Å; S368-G370 VanDerWaalsContact O-N 3.11Å
369E52.9Low58.5Low176 Ų176125.3 Ų125.382%0.82264%0.644SS**SBendtrans-79.314.7-179.5-143.9-175.3-154.700113.7E365E365-E369 PolarHBondContact O-N 3.47Å
370G41.2Very low56.5Low63 Ų63126.6 Ų126.665%0.64965%0.647SS**  trans-103.973.5-175.900000115.1S368S368-G370 PolarHBondContact O-N 3.37Å; S368-G370 VanDerWaalsContact O-N 3.11Å
371F33.1Very low54.6Low191 Ų191131.2 Ų131.284%0.83866%0.656SS**  trans-101.5157169.9-82.7-95.3000112.3
372P42.8Very low53.2Low115 Ų115131.3 Ų131.375%0.74766%0.66SS**  cis-114.2162.2-3.339.7-29.6000114.3D374P372-D374 PolarHBondContact O-N 2.98Å
373E48.5Very low51.9Low169 Ų169134.9 Ų134.979%0.7967%0.669SS**  trans-85.892.3-176.3-171.9-174.2158.700113.5
374D45.8Very low51.3Low111 Ų111133.3 Ų133.359%0.59466%0.664SS**SBendtrans-156.8-27.5155.3-118.2-19.5000116.7P372 L376 K377P372-D374 PolarHBondContact O-N 2.98Å; D374-L376 VanDerWaalsContact C-N 3.3Å; D374-L376 PolarHBondContact O-N 3.03Å; D374-K377 IonicContact OD1-NZ 2.72Å; D374-K377 PolarHBondContact OD1-NZ 3.03Å
375V44.1Very low50.2Low127 Ų127134.9 Ų134.977%0.7767%0.666SS**THydrogen-bonded Turntrans-68.4-21.9-170.5-177.20000114.3K377V375-K377 VanDerWaalsContact C-N 3.35Å; V375-K377 PolarHBondContact O-N 3.12Å
376L47.1Very low49.2Very low139 Ų139134.5 Ų134.573%0.72866%0.664SS**Hα-helixtrans-74.5-16.9-174.6-76.6171000115.2D374 E378 Q380D374-L376 VanDerWaalsContact C-N 3.3Å; D374-L376 PolarHBondContact O-N 3.03Å; L376-E378 VanDerWaalsContact C-N 3.3Å; L376-E378 PolarHBondContact O-N 2.8Å; L376-Q380 WeakPolarHBondContact O-CB 3.48Å; L376-Q380 PolarHBondContact O-N 3.48Å
377K45.4Very low49.3Very low111 Ų111130.4 Ų130.448%0.48365%0.654SS.*Hα-helixtrans-68.1-28.7-176.3-67.5164-171158.70112.6D374 V375D374-K377 IonicContact OD1-NZ 2.72Å; D374-K377 PolarHBondContact OD1-NZ 3.03Å; V375-K377 VanDerWaalsContact C-N 3.35Å; V375-K377 PolarHBondContact O-N 3.12Å
378E47.3Very low49.6Very low135 Ų135127.3 Ų127.363%0.63165%0.646SS**Hα-helixtrans-78.7-52.1-178.4-153.959.8-141.400111.9L376 Q380 R381 A382L376-E378 VanDerWaalsContact C-N 3.3Å; L376-E378 PolarHBondContact O-N 2.8Å; E378-Q380 PolarHBondContact O-N 2.81Å; E378-R381 PolarHBondContact O-N 3.08Å; E378-R381 VanDerWaalsContact O-N 3.1Å; E378-A382 PolarHBondContact O-N 3.42Å
379T45Very low49.6Very low86 Ų86129.4 Ų129.453%0.52865%0.648SS.*Hα-helixtrans-61-33.1179.9-48.40000112.4R383T379-R383 WeakPolarHBondContact O-CG 3.39Å; T379-R383 PolarHBondContact O-N 3.39Å
380Q48.2Very low49.6Very low134 Ų134127.8 Ų127.863%0.62664%0.642SS**Hα-helixtrans-72.4-28.8178.9-162.5165.76.300112.7L376 E378 I384L376-Q380 WeakPolarHBondContact O-CB 3.48Å; L376-Q380 PolarHBondContact O-N 3.48Å; E378-Q380 PolarHBondContact O-N 2.81Å; Q380-I384 WeakPolarHBondContact O-CD1 3.46Å; Q380-I384 VanDerWaalsContact O-CG1 3.3Å; Q380-I384 WeakPolarHBondContact O-CG1 3.23Å; Q380-I384 PolarHBondContact O-N 3.49Å
381R49.1Very low50.2Low173 Ų173131.6 Ų131.665%0.65364%0.638SS**Hα-helixtrans-69.4-45.7172.9-77.7175.7167.7176.3-3.7112.3E378 R383 I384 Y385E378-R381 PolarHBondContact O-N 3.08Å; E378-R381 VanDerWaalsContact O-N 3.1Å; R381-R383 VanDerWaalsContact C-N 3.3Å; R381-R383 PolarHBondContact O-N 2.88Å; R381-I384 PolarHBondContact O-N 3.36Å; R381-I384 VanDerWaalsContact O-N 3.11Å; R381-Y385 PolarHBondContact O-N 2.88Å
382A51.6Low51.1Low63 Ų63127.9 Ų127.952%0.52162%0.624SS.*Hα-helixtrans-55.8-45178.300000112.1E378 I384 Y385 E386E378-A382 PolarHBondContact O-N 3.42Å; A382-I384 VanDerWaalsContact C-N 3.28Å; A382-I384 PolarHBondContact O-N 3.38Å; A382-Y385 PolarHBondContact O-N 2.79Å; A382-E386 PolarHBondContact O-N 3.23Å
383R53.4Low51.6Low181 Ų181127.7 Ų127.768%0.68361%0.613SS**Hα-helixtrans-70.1-20.5-179.6-65.7-115.4-79.7-170.8-7.1114.2T379 R381 S387T379-R383 WeakPolarHBondContact O-CG 3.39Å; T379-R383 PolarHBondContact O-N 3.39Å; R381-R383 VanDerWaalsContact C-N 3.3Å; R381-R383 PolarHBondContact O-N 2.88Å; R383-S387 WeakPolarHBondContact O-CB 3.48Å; R383-S387 PolarHBondContact O-N 2.88Å
384I60.4Low51.9Low111 Ų111122.4 Ų122.457%0.56960%0.599SS**Hα-helixtrans-78.4-36.1172.4-70.1165.9000110.7Q380 R381 A382 K388Q380-I384 WeakPolarHBondContact O-CD1 3.46Å; Q380-I384 VanDerWaalsContact O-CG1 3.3Å; Q380-I384 WeakPolarHBondContact O-CG1 3.23Å; Q380-I384 PolarHBondContact O-N 3.49Å; R381-I384 PolarHBondContact O-N 3.36Å; R381-I384 VanDerWaalsContact O-N 3.11Å; A382-I384 VanDerWaalsContact C-N 3.28Å; A382-I384 PolarHBondContact O-N 3.38Å; I384-K388 PolarHBondContact O-N 3.48Å
385Y53.4Low52.1Low167 Ų167121.8 Ų121.866%0.65559%0.592SS**Hα-helixtrans-68.5-49.5175.1-109.5-96.2000112.2R381 A382 S387 K388 E389R381-Y385 PolarHBondContact O-N 2.88Å; A382-Y385 PolarHBondContact O-N 2.79Å; Y385-S387 VanDerWaalsContact C-N 3.26Å; Y385-S387 PolarHBondContact O-N 3.16Å; Y385-K388 WeakPolarHBondContact O-CA 3.33Å; Y385-K388 WeakPolarHBondContact O-CB 3.3Å; Y385-K388 PolarHBondContact O-N 3.39Å; Y385-E389 PolarHBondContact O-N 3.43Å; Y385-E389 VanDerWaalsContact O-N 3.08Å
386E53.2Low52.6Low121 Ų121121.6 Ų121.657%0.56558%0.583SS**Hα-helixtrans-56.5-39.8176.9-174.8179.9-14700111.9A382 K388 M390A382-E386 PolarHBondContact O-N 3.23Å; E386-K388 VanDerWaalsContact C-N 3.26Å; E386-K388 PolarHBondContact O-N 2.85Å; E386-M390 PolarHBondContact O-N 3.42Å
387S61.2Low52.9Low82 Ų82119.2 Ų119.257%0.57357%0.574SS**Hα-helixtrans-70.7-15.4174.9-172.80000114.3R383 Y385R383-S387 WeakPolarHBondContact O-CB 3.48Å; R383-S387 PolarHBondContact O-N 2.88Å; Y385-S387 VanDerWaalsContact C-N 3.26Å; Y385-S387 PolarHBondContact O-N 3.16Å
388K61.5Low53.1Low144 Ų144119.3 Ų119.363%0.62658%0.58SS**Hα-helixtrans-92.4-40.7178.6-166.2178.5-179.2-174.40111.6I384 Y385 E386 Y391 M392I384-K388 PolarHBondContact O-N 3.48Å; Y385-K388 WeakPolarHBondContact O-CA 3.33Å; Y385-K388 WeakPolarHBondContact O-CB 3.3Å; Y385-K388 PolarHBondContact O-N 3.39Å; E386-K388 VanDerWaalsContact C-N 3.26Å; E386-K388 PolarHBondContact O-N 2.85Å; K388-Y391 WeakPolarHBondContact O-CB 3.27Å; K388-Y391 PolarHBondContact O-N 2.85Å; K388-Y391 VanDerWaalsContact O-N 3.13Å; K388-M392 PolarHBondContact O-N 2.89Å; K388-M392 VanDerWaalsContact O-N 3.15Å
389E56.3Low53.3Low118 Ų118118 Ų11855%0.55158%0.581SS**Hα-helixtrans-63.6-42.6175.1-66.4-175.7166.600111.6Y385 Y391 M392 H393Y385-E389 PolarHBondContact O-N 3.43Å; Y385-E389 VanDerWaalsContact O-N 3.08Å; E389-Y391 PolarHBondContact O-N 2.93Å; E389-M392 PolarHBondContact O-N 3.09Å; E389-H393 PolarHBondContact O-CD2 3.33Å; E389-H393 PolarHBondContact O-N 3.23Å
390M53.9Low53.6Low143 Ų143119 Ų11970%0.70458%0.578SS**Hα-helixtrans-69.3-12175.5-173.1152.844.700113.8E386E386-M390 PolarHBondContact O-N 3.42Å
391Y53.1Low53.6Low143 Ų143119.8 Ų119.856%0.56158%0.579SS**Hα-helixtrans-82.8-46.2168.4-172.3-85.1000111.3K388 E389 H393 A394 E395K388-Y391 WeakPolarHBondContact O-CB 3.27Å; K388-Y391 PolarHBondContact O-N 2.85Å; K388-Y391 VanDerWaalsContact O-N 3.13Å; E389-Y391 PolarHBondContact O-N 2.93Å; Y391-H393 PolarHBondContact O-N 3.11Å; Y391-A394 WeakPolarHBondContact O-CB 3.15Å; Y391-A394 PolarHBondContact O-N 2.69Å; Y391-A394 VanDerWaalsContact O-N 3.15Å; Y391-E395 HydrophobicContact CE1-CG 4.36Å; Y391-E395 WeakPolarHBondContact CE1-OE1 3.32Å; Y391-E395 PolarHBondContact OH-OE1 3.31Å
392M52Low53.5Low113 Ų113116.1 Ų116.156%0.55757%0.569SS**Hα-helixtrans-57.5-46.7-179.1-66.2-61.2-59.200112.9K388 E389 A394 E395 E396K388-M392 PolarHBondContact O-N 2.89Å; K388-M392 VanDerWaalsContact O-N 3.15Å; E389-M392 PolarHBondContact O-N 3.09Å; M392-A394 PolarHBondContact O-N 3.34Å; M392-E395 PolarHBondContact O-N 3.49Å; M392-E396 PolarHBondContact O-N 3.27Å
393H52.8Low53.2Low111 Ų111119.5 Ų119.551%0.51458%0.576SS.*Hα-helixtrans-68.8-16.2-179-65.4-53.4000114.2E389 Y391 E396 T397E389-H393 PolarHBondContact O-CD2 3.33Å; E389-H393 PolarHBondContact O-N 3.23Å; Y391-H393 PolarHBondContact O-N 3.11Å; H393-E396 IonicContact CE1-OE2 3.29Å; H393-E396 IonicContact CG-OE2 2.67Å; H393-E396 IonicContact ND1-OE2 3.64Å; H393-E396 PolarHBondContact ND1-OE2 3.04Å; H393-T397 WeakPolarHBondContact O-CG2 3.47Å; H393-T397 PolarHBondContact O-N 3.21Å; H393-T397 PolarHBondContact O-OG1 2.9Å
394A54.3Low52.9Low58 Ų58115.8 Ų115.848%0.47957%0.57SS.*Hα-helixtrans-75.3-29.7175.900000112.4Y391 M392Y391-A394 WeakPolarHBondContact O-CB 3.15Å; Y391-A394 PolarHBondContact O-N 2.69Å; Y391-A394 VanDerWaalsContact O-N 3.15Å; M392-A394 PolarHBondContact O-N 3.34Å
395E51.1Low52Low98 Ų98120.2 Ų120.246%0.45858%0.581SS.*Hα-helixtrans-84.3-40.7176.7-63.2-174.8169.400110.8Y391 M392 T397 N398 V399Y391-E395 HydrophobicContact CE1-CG 4.36Å; Y391-E395 WeakPolarHBondContact CE1-OE1 3.32Å; Y391-E395 PolarHBondContact OH-OE1 3.31Å; M392-E395 PolarHBondContact O-N 3.49Å; E395-T397 VanDerWaalsContact C-N 3.32Å; E395-T397 PolarHBondContact O-N 3.19Å; E395-N398 WeakPolarHBondContact O-CA 3.44Å; E395-N398 WeakPolarHBondContact O-CB 3.47Å; E395-N398 PolarHBondContact O-N 3.49Å; E395-V399 PolarHBondContact O-N 3.26Å; E395-V399 VanDerWaalsContact O-N 3.08Å
396E53.9Low51.8Low122 Ų122118.9 Ų118.957%0.5758%0.58SS**Hα-helixtrans-55.8-41.4176.1-170.4174.6-139.300113.1M392 H393 N398M392-E396 PolarHBondContact O-N 3.27Å; H393-E396 IonicContact CE1-OE2 3.29Å; H393-E396 IonicContact CG-OE2 2.67Å; H393-E396 IonicContact ND1-OE2 3.64Å; H393-E396 PolarHBondContact ND1-OE2 3.04Å; E396-N398 VanDerWaalsContact C-N 3.28Å; E396-N398 PolarHBondContact O-N 2.86Å
397T53.5Low51.5Low89 Ų89117.4 Ų117.455%0.54659%0.588SS.*Hα-helixtrans-78.5-6.817754.20000114.6H393 E395H393-T397 WeakPolarHBondContact O-CG2 3.47Å; H393-T397 PolarHBondContact O-N 3.21Å; H393-T397 PolarHBondContact O-OG1 2.9Å; E395-T397 VanDerWaalsContact C-N 3.32Å; E395-T397 PolarHBondContact O-N 3.19Å
398N49.7Very low50.6Low113 Ų113120.9 Ų120.960%0.60460%0.601SS**Hα-helixtrans-93.3-48.5176.2-155.1-6.7000110.6E395 E396 K400 K401E395-N398 WeakPolarHBondContact O-CA 3.44Å; E395-N398 WeakPolarHBondContact O-CB 3.47Å; E395-N398 PolarHBondContact O-N 3.49Å; E396-N398 VanDerWaalsContact C-N 3.28Å; E396-N398 PolarHBondContact O-N 2.86Å; N398-K400 VanDerWaalsContact C-N 3.25Å; N398-K400 PolarHBondContact O-N 3.25Å; N398-K401 PolarHBondContact O-N 2.79Å
399V51.8Low49.9Very low107 Ų107118.8 Ų118.865%0.64860%0.6SS**Hα-helixtrans-52.1-44175.1174.70000111.4E395 K401 H402E395-V399 PolarHBondContact O-N 3.26Å; E395-V399 VanDerWaalsContact O-N 3.08Å; V399-K401 PolarHBondContact O-N 2.91Å; V399-K401 VanDerWaalsContact O-N 3.09Å; V399-H402 PolarHBondContact O-N 3.26Å
400K50.8Low49.5Very low109 Ų109120.6 Ų120.647%0.47461%0.608SS.*Hα-helixtrans-64.6-16.4-178-17352.2-172.5133.60114.6N398 D404N398-K400 VanDerWaalsContact C-N 3.25Å; N398-K400 PolarHBondContact O-N 3.25Å; K400-D404 IonicContact NZ-OD1 2.77Å; K400-D404 PolarHBondContact NZ-OD1 2.8Å; K400-D404 IonicContact NZ-OD2 3.52Å
401K48.2Very low49.3Very low150 Ų150122.5 Ų122.565%0.65262%0.615SS**Hα-helixtrans-91.3-16.7177.5-74.6176.7179.7164.60114.6N398 V399N398-K401 PolarHBondContact O-N 2.79Å; V399-K401 PolarHBondContact O-N 2.91Å; V399-K401 VanDerWaalsContact O-N 3.09Å
402H48Very low48.7Very low96 Ų96121.5 Ų121.544%0.44462%0.624SS.*Hα-helixtrans-78.3-37.5177.2-159.1-114.2000111.4E27 V399 D404 Y405E27-H402 IonicContact OE2-CD2 2.78Å; E27-H402 IonicContact OE2-CE1 2.81Å; E27-H402 IonicContact OE2-NE2 3.89Å; E27-H402 PolarHBondContact OE2-NE2 2.92Å; V399-H402 PolarHBondContact O-N 3.26Å; H402-D404 VanDerWaalsContact C-N 3.35Å; H402-D404 PolarHBondContact O-N 3.36Å; H402-Y405 PolarHBondContact O-N 3.39Å
403M45.4Very low48.1Very low134 Ų134123 Ų12366%0.6663%0.634SS**G310 helixtrans-71.4-22.7-172.6-154.3166.773.900114.8
404D45.4Very low47.5Very low103 Ų103125.4 Ų125.455%0.55165%0.645SS**G310 helixtrans-85.3-5.5-177.2-63.7-9.4000113K400 H402K400-D404 IonicContact NZ-OD1 2.77Å; K400-D404 PolarHBondContact NZ-OD1 2.8Å; K400-D404 IonicContact NZ-OD2 3.52Å; H402-D404 VanDerWaalsContact C-N 3.35Å; H402-D404 PolarHBondContact O-N 3.36Å
405Y42.8Very low46.7Very low203 Ų203130.7 Ų130.780%0.79667%0.665SS**G310 helixtrans-93.7-12.3178.7-94.2-78.5000115.1H402H402-Y405 PolarHBondContact O-N 3.39Å
406H49.2Very low45.7Very low140 Ų140131 Ų13165%0.64868%0.677SS**SBendtrans-92.8-10.4-175.8-166.2-92.7000113.8
407A46Very low44.6Very low89 Ų89130.7 Ų130.774%0.73668%0.684SS**THydrogen-bonded Turntrans-82.6-22.5-171.500000115.1
408D42.7Very low43.8Very low156 Ų156132.8 Ų132.883%0.83470%0.697SS**THydrogen-bonded Turntrans-10519.1-166.3-159.437.2000113.8
409V48Very low43.4Very low100 Ų100133 Ų13361%0.60670%0.704SS**SBendtrans-119.8-10.5-170.7-171.80000113.7
410Q46.7Very low42.5Very low156 Ų156138 Ų13873%0.72972%0.717SS**SBendtrans-90-17.3-176.7-69.2-164.8-0.400115.7V412Q410-V412 PolarHBondContact O-N 3.14Å
411E49.8Very low41.8Very low183 Ų183138.7 Ų138.786%0.85573%0.733SS**SBendtrans-87.91.4-169.8-142.9-170.8144.100115.7
412V40.7Very low41.2Very low121 Ų121140.1 Ų140.173%0.73374%0.744SS**SBendtrans-133.844.8-170.8-670000115.4Q410Q410-V412 PolarHBondContact O-N 3.14Å
413N38.7Very low41Very low145 Ų145141.7 Ų141.778%0.77576%0.76SS**  trans-131.243.1177.5-105.5-34.1000115.2
414H42Very low40.6Very low161 Ų161140.5 Ų140.575%0.74576%0.762SS**  trans-152.762.4166.727.6-91000113.7
415L37.2Very low40.4Very low170 Ų170142.8 Ų142.889%0.8978%0.775SS**  trans-168.891.2161.7-97.7145.9000107.7
416S28.5Very low40.2Very low103 Ų103143.9 Ų143.972%0.7278%0.777SS**  78.2122.179.4-170.70000115.8
417T31.3Very low39.3Very low116 Ų116143.9 Ų143.971%0.71279%0.787SS**  trans82.293.1149.8-560000121.4
418V37.1Very low38.7Very low134 Ų134143.8 Ų143.881%0.81279%0.786SS**  72.3155.4128.5176.10000118.5
419P41.8Very low38.4Very low118 Ų118145 Ų14577%0.76678%0.784SS**  -101.4171.5-88.139.3-19.3000115.2
420K31.9Very low38.4Very low210 Ų210146.1 Ų146.191%0.91379%0.794SS**  trans-109.5116.8179.7-133.4165.9-170.6166.40112.3
421P36.6Very low38Very low124 Ų124146.6 Ų146.681%0.80579%0.793SS**PPolyproline II helixtrans-80162.2-179.831.7-34.9000113.6
422M36Very low37.3Very low181 Ų181146.3 Ų146.389%0.89280%0.797SS**PPolyproline II helixtrans-73158-170.3-62.517671.900115.3P424M422-P424 VanDerWaalsContact O-CD 3.29Å; M422-P424 WeakPolarHBondContact O-CD 3.44Å
423V43Very low36.7Very low128 Ų128143.9 Ų143.978%0.77680%0.797SS**PPolyproline II helixtrans-54.9118.9-178-179.10000113.8
424P37.6Very low36.6Very low109 Ų109146 Ų14671%0.70880%0.799SS**  trans-87.2111.3169.9-8.928.1000112M422 R426M422-P424 VanDerWaalsContact O-CD 3.29Å; M422-P424 WeakPolarHBondContact O-CD 3.44Å; P424-R426 PolarHBondContact O-N 3.24Å
425N40.4Very low36.2Very low152 Ų152147 Ų14781%0.81380%0.804SS**  trans-69.7117164.7-84.7-93.4000110.3
426R38.5Very low35.8Very low226 Ų226144.9 Ų144.985%0.85379%0.794SS**  trans-139.2128.6161.6-67.3-170.6167.6146.5-0.5109.3P424P424-R426 PolarHBondContact O-N 3.24Å
427T30.4Very low35.9Very low140 Ų140145.2 Ų145.286%0.85980%0.796SS**  cis76.7134.842.9-53.10000112
428A33.1Very low36.6Very low86 Ų86145 Ų14571%0.71180%0.797SS**  trans-103168.8-15500000115.8
429K38.3Very low36.1Very low181 Ų181143.8 Ų143.879%0.78779%0.79SS**  trans74.1159.9167.7-74.8-177.7179.1-1790115.2
430P47.8Very low35.7Very low125 Ų125145.2 Ų145.281%0.81279%0.79SS**  cis-121.1-158.717.443.5-29.5000116.1
431F37.4Very low35.5Very low165 Ų165143.2 Ų143.272%0.72478%0.784SS**  trans-98.3179.6-175-65-96.2000113
432L34.3Very low35.7Very low177 Ų177141.5 Ų141.593%0.92777%0.773SS**  trans80.1143.9178.6-74.768000114.3
433G29.8Very low35.5Very low71 Ų71138.6 Ų138.673%0.73277%0.765SS**  cis-161.3-173.44.100000114.6
434F36.3Very low35.1Very low190 Ų190138.5 Ų138.583%0.83377%0.765SS**  trans-61.1145.3177.5-77.4-115.8000112.3
435Q33.6Very low35Very low182 Ų182141.2 Ų141.285%0.8577%0.77SS**  -150.5153124.9-86.3-5616.800110.9
436D28.4Very low34.5Very low124 Ų124139.7 Ų139.766%0.66377%0.772SS**  trans-105.3122-178.5-61.3-76.1000112.7
437S29.6Very low34.2Very low111 Ų111132.6 Ų132.678%0.77677%0.769SS**  trans57.8-172.3153.8-49.20000117.5
438P46.9Very low34.3Very low111 Ų111129.3 Ų129.372%0.72176%0.763SS**  cis-117.7-149.2-31.830.1-8.7000110.5
439T27.3Very low34.4Very low108 Ų108132.1 Ų132.166%0.66377%0.77SS**  trans76.495.3158.5-50.60000114.8
440L31.8Very low34.1Very low148 Ų148128.7 Ų128.778%0.77577%0.769SS**  71.8126.881.3-70.9163.9000113.7
441E29.4Very low34Very low168 Ų168129 Ų12979%0.78577%0.771SS**  -162.9160.8130-94-37.982.600109.3
442P40.8Very low33.6Very low89 Ų89124.9 Ų124.958%0.57877%0.768SS**  trans-137.4-160.9-135.630.3-4.1000114.5
443V30.4Very low33.9Very low119 Ų119124.9 Ų124.972%0.72177%0.765SS**  trans74.6117.2165-168.50000113.5
444T34.8Very low34.3Very low126 Ų126130.4 Ų130.477%0.77377%0.769SS**  -146148.864.1-1.50000115
445M35.9Very low34.2Very low167 Ų167128.9 Ų128.982%0.82376%0.762SS**  trans2.6147.8138.9-56.5-50.9-179.400119.5
446S30.5Very low34.2Very low120 Ų120127.8 Ų127.884%0.83976%0.757SS**  cis-173.1157.3-7175.50000110.7
447G31.6Very low34.1Very low77 Ų77127.7 Ų127.779%0.79475%0.752SS**  trans106.1138.1155.700000117
448G33.2Very low34.6Very low71 Ų71129.7 Ų129.773%0.73275%0.754SS**  trans119.167.2163.100000117.8
449V35.4Very low34Very low144 Ų144128.1 Ų128.187%0.87375%0.75SS**  trans23.3109.7151.3-74.40000120.2
450S31.5Very low34.3Very low109 Ų109131.4 Ų131.476%0.76276%0.755SS**  trans-68.6166.7145.5-47.60000110.7
451P44.9Very low34.3Very low132 Ų132131.3 Ų131.386%0.85775%0.748SS**  -131.9145.8101.836.7-30.5000113.6
452A30.2Very low34.4Very low78 Ų78129.3 Ų129.365%0.64575%0.747SS**  trans-122130.317400000111
453M40.2Very low34.5Very low178 Ų178130.2 Ų130.288%0.87775%0.753SS**  trans-125.9115.4163.5-48.7-147-54.500107.1
454K37.1Very low34.5Very low186 Ų186129.7 Ų129.781%0.80975%0.75SS**  71.2133.159.2-68.5179-178.7176.20112.1
455K34Very low34.2Very low159 Ų159128.9 Ų128.969%0.69175%0.75SS**  cis-167.5-169.8-12.6-135.6-173.7175.8-115.80109.7E457K455-E457 IonicContact NZ-OE2 2.87Å; K455-E457 PolarHBondContact NZ-OE2 2.85Å
456H33.7Very low33.9Very low159 Ų159127.8 Ų127.874%0.73675%0.745SS**  trans87.2119.9176-83.5-81.5000117.2
457E27.6Very low33.8Very low121 Ų121129 Ų12957%0.56574%0.743SS**  cis84.288.211.1-153.5-170.615200117K455K455-E457 IonicContact NZ-OE2 2.87Å; K455-E457 PolarHBondContact NZ-OE2 2.85Å
458L39.9Very low33.7Very low154 Ų154130.4 Ų130.481%0.80674%0.74SS**  -171.1124129.8-126.172.3000106.6
459A33.7Very low33.5Very low77 Ų77134.3 Ų134.364%0.63674%0.744SS**  cis80100.929.500000115
460F32.8Very low34.3Very low178 Ų178132.4 Ų132.478%0.78174%0.735SS**  trans175.7146.2154.4-112.9-135.7000107.4
461K33.4Very low34.1Very low146 Ų146136.7 Ų136.764%0.63574%0.74SS**  cis-162.4131.5-16.8-119.6-162.6-176.2173.90107.7
462V31.1Very low33.4Very low126 Ų126135.9 Ų135.976%0.76473%0.732SS**  91.1146.694.6144.40000113.9
463P43.4Very low33.3Very low107 Ų107143.4 Ų143.470%0.69574%0.744SS**  -139.6-139-114.344.9-26.5000115.1
464V29.1Very low33.6Very low109 Ų109139.9 Ų139.966%0.66174%0.737SS**  trans81.4117.9173.5-168.30000112.7I466V464-I466 HydrophobicContact CG1-CG1 4.13Å
465S28.4Very low33.6Very low109 Ų109136.7 Ų136.776%0.76274%0.735SS**  68.2156.266.3-47.30000112.7
466I29.6Very low33.4Very low143 Ų143136.1 Ų136.173%0.73375%0.745SS**  cis-162.7163.636.7-11.7171.7000112.3V464V464-I466 HydrophobicContact CG1-CG1 4.13Å
467N28.1Very low33.3Very low146 Ų146131.3 Ų131.378%0.78174%0.739SS**  trans76.4152.8160.3102.479.9000118.4
468S30.7Very low33.9Very low106 Ų106133.1 Ų133.174%0.74175%0.752SS**  cis-137.6160.57.723.30000115.4
469N29.3Very low34.1Very low153 Ų153133 Ų13382%0.81875%0.751SS**  trans-108.4178.1172.1-143.6-2.2000106.6
470P51.8Low34.7Very low105 Ų105137.1 Ų137.168%0.68276%0.761SS**  cis-145.6-162.81.844.9-24.3000116.8
471K26.8Very low35Very low199 Ų199133.2 Ų133.287%0.86576%0.762SS**  trans113.3161.4148.2-142.969.6174.9-174.60116.2
472V31.2Very low35.5Very low115 Ų115129.2 Ų129.270%0.69775%0.752SS**  trans-135.8138.2-153.31710000111.8
473W28.1Very low36.2Very low236 Ų236133.1 Ų133.189%0.89475%0.753SS**  trans64.6108161.1-71.68.1000121.3
474S45.7Very low36.7Very low103 Ų103134.7 Ų134.772%0.7276%0.755SS**  25.3143.1128.562.40000122.3
475P38.2Very low38Very low120 Ų120136.3 Ų136.378%0.77976%0.756SS**  -128.7148.8120.137.6-30.8000115.1
476T29.8Very low39.2Very low146 Ų146140.7 Ų140.790%0.89676%0.756SS**  trans38.1127.5138.7-480000122.1
477G30.7Very low40.3Very low59 Ų59141.7 Ų141.761%0.60876%0.761SS**  trans128.594.4138.200000119.4
478D40.3Very low41.1Very low158 Ų158139.4 Ų139.485%0.84576%0.756SS**  trans50.6-178.9137.7-54.9-28.5000123
479I44.7Very low41.6Very low151 Ų151141 Ų14177%0.77476%0.761SS**  trans67.988.3176.3-44.5173.5000114.1
480I46.1Very low42.4Very low164 Ų164139.3 Ų139.384%0.84176%0.758SS**  64.995.966.7-49.8166.6000113.9
481A39Very low41.9Very low97 Ų97138.9 Ų138.980%0.80276%0.764SS**  trans-155.7155.8155.300000111
482S44Very low42.6Very low61 Ų61138.1 Ų138.143%0.42777%0.767SS.*  trans-71.4142.5-166.8-1760000115D484S482-D484 PolarHBondContact OG-N 3.42Å
483R45.5Very low43.3Very low209 Ų209142.1 Ų142.179%0.78978%0.775SS**SBendtrans-83.5-19.2166.2-177.8168.6171.8139.7-2.3112.9
484D54.3Low44Very low140 Ų140137.7 Ų137.775%0.74977%0.774SS**G310 helixtrans-82.4-14.3-175.3-74.5-12.4000113.6S482 R486S482-D484 PolarHBondContact OG-N 3.42Å; D484-R486 PolarHBondContact O-N 3.36Å
485E55.2Low44.1Very low143 Ų143135.8 Ų135.867%0.66877%0.771SS**G310 helixtrans-68.3-2.1-179-76.9175.416800114.8
486R54.1Low44.2Very low201 Ų201138.1 Ų138.176%0.75878%0.776SS**G310 helixtrans-96.16.2-176.8-70.5-165.6-66.3-142.3-2.6116D484D484-R486 PolarHBondContact O-N 3.36Å
487I52.3Low44.8Very low164 Ų164137.8 Ų137.884%0.84177%0.768SS**SBendtrans-132.640.4179.9-30.3-179000113.6
488S45.4Very low45.7Very low97 Ų97140.4 Ų140.468%0.67877%0.774SS**  trans-138.186.617255.10000112.5
489V40.6Very low45.6Very low139 Ų139139.2 Ų139.284%0.84276%0.763SS**  trans-121.9129.1169-179.30000108.8
490P47.6Very low45.2Very low119 Ų119137.9 Ų137.977%0.77377%0.767SS**  trans-88.7151.3-17333.8-35.2000115
491A40.5Very low45Very low96 Ų96137.4 Ų137.479%0.79376%0.759SS**  trans-3.3144.5163.300000122
492I41Very low45.2Very low183 Ų183144.5 Ų144.594%0.93877%0.765SS**  trans-127.2157.7147.929.2173000111.1
493K46.4Very low45Very low199 Ų199151.2 Ų151.287%0.86579%0.787SS**  trans-141113.2-159.7170.6-162.3166.5-171.10112.4
494T42.3Very low44.4Very low142 Ų142147.6 Ų147.687%0.87179%0.788SS**  trans-144.2151.8158.644.70000106.5
495G47.3Very low43.4Very low64 Ų64145.1 Ų145.166%0.6679%0.787SS**  cis88.411936.800000107.9
496I41.5Very low42.2Very low169 Ų169145.6 Ų145.687%0.86779%0.794SS**  cis-148.4158.325.1-77.2152.8000110.4
497L43.2Very low41.2Very low139 Ų139145.3 Ų145.373%0.72880%0.798SS**  trans-87.7139.3170171.769.3000111.3E499L497-E499 HydrophobicContact CD2-CG 4.26Å
498P47.8Very low40.1Very low114 Ų114146 Ų14674%0.7480%0.797SS**  trans-117.6134.4142.934-27.8000112
499E39.5Very low40.2Very low132 Ų132146 Ų14662%0.61780%0.796SS**  trans-75.9156.6169.9-55.1-174.6130.300111.2L497 K501L497-E499 HydrophobicContact CD2-CG 4.26Å; E499-K501 IonicContact OE1-NZ 2.9Å; E499-K501 PolarHBondContact OE1-NZ 2.89Å; E499-K501 IonicContact OE2-NZ 2.68Å; E499-K501 PolarHBondContact OE2-NZ 3.27Å
500S36.8Very low39.5Very low124 Ų124145 Ų14587%0.86780%0.795SS**  trans-142.2142.7144.763.30000110.7
501K40.7Very low38.6Very low153 Ų153146 Ų14667%0.66580%0.798SS**  trans-125.3148.9-173.7-70.4167.7176.7142.70109.9E499E499-K501 IonicContact OE1-NZ 2.9Å; E499-K501 PolarHBondContact OE1-NZ 2.89Å; E499-K501 IonicContact OE2-NZ 2.68Å; E499-K501 PolarHBondContact OE2-NZ 3.27Å
502R42.4Very low39Very low246 Ų246147.1 Ų147.193%0.92880%0.797SS**  trans163.9115.7157-94.7-176.2-53.7167.37.6106.2
503K41.7Very low38.3Very low203 Ų203142.6 Ų142.688%0.88379%0.788SS**  cis91.782.314.5-156.6-168.9153.9-175.50116.7
504T32.6Very low37.4Very low132 Ų132141.6 Ų141.681%0.8178%0.783SS**  trans-157.7134.2152.220.80000104.9
505A32.5Very low36.8Very low89 Ų89142 Ų14274%0.73678%0.775SS**  cis68.5130.543.100000111.9
506N30.2Very low36Very low152 Ų152144.3 Ų144.381%0.81378%0.781SS**  cis-160.5174.317.9-155-11.4000112.8
507K33.3Very low35.5Very low196 Ų196145 Ų14585%0.85278%0.781SS**  trans81.5157.4165.8-60.2-172.5177.8-176.60120.8
508H28.7Very low34.8Very low177 Ų177146.6 Ų146.682%0.81979%0.789SS**  trans-162.7160.3-168.9162.1-89.6000105.6
509P46.7Very low33.9Very low99 Ų99150.1 Ų150.164%0.64379%0.789SS**  cis-123.3179.5-15.537.6-22.9000114.2
510S26.5Very low33.5Very low117 Ų117149.4 Ų149.482%0.81880%0.799SS**  trans-168.5143.6141.655.30000113.3
511V29.2Very low33.3Very low139 Ų139151.7 Ų151.784%0.84280%0.796SS**  trans-153148.7171.8174.80000106.1
512P47.9Very low32.8Very low120 Ų120150.3 Ų150.378%0.77981%0.805SS**  cis-120.1-176.6-16.739.6-25.9000112.8
513A26.4Very low32.7Very low89 Ų89149.1 Ų149.174%0.73681%0.807SS**  trans-172.7142.3138.700000112.8
514K28.5Very low32.3Very low177 Ų177142.8 Ų142.877%0.7780%0.798SS**  trans41.3122.7139.3-61.9-153.4167.1-161.70120.6
515E29.1Very low32.4Very low152 Ų152143.4 Ų143.471%0.7179%0.792SS**  83.4158.865.7-71.7169.1161.300113.4
516S30.9Very low32.6Very low111 Ų111148.2 Ų148.278%0.77679%0.791SS**  trans64.8127.2-155.469.50000112.7
517E31.1Very low33Very low185 Ų185150.7 Ų150.786%0.86480%0.795SS**  cis69.8112.932.4-53.9-168.2146.800115
518L28.9Very low33.1Very low171 Ų171147.4 Ų147.490%0.89580%0.797SS**  -165.6167.5121.4-108.9171.6000112.6
519Y28.9Very low33.6Very low188 Ų188147.9 Ų147.974%0.73779%0.793SS**  trans-82.7152.6-174-94-126000114.6Q521Y519-Q521 HydrophobicContact CD1-CG 4.26Å
520S31Very low33.5Very low118 Ų118150.6 Ų150.683%0.82580%0.8SS**  trans-169.399.8136.8-770000106.7
521Q33.3Very low34Very low172 Ų172150.3 Ų150.380%0.80479%0.786SS**  45.6109.474.6-82.7-167.94.400115.1Y519Y519-Q521 HydrophobicContact CD1-CG 4.26Å
522S29.3Very low34.6Very low123 Ų123149 Ų14986%0.8678%0.782SS**  trans-146.8120.3145.853.50000108.8
523K39.5Very low35.1Very low222 Ų222150.8 Ų150.897%0.96578%0.781SS**  trans-81.4156.4168.3-80.5-171173.6-1740109.6
524G34.4Very low36.5Very low69 Ų69155.7 Ų155.771%0.71179%0.788SS**  trans143.368.9178.600000111.1
525E34.2Very low37.9Very low146 Ų146152.7 Ų152.768%0.68278%0.781SS**  93.7137.580.3-89-145.1111.400114.3
526R37.6Very low39Very low189 Ų189154.4 Ų154.471%0.71379%0.786SS**  trans65.377.7163-61.8-171.1-173.778.319.5119.4
527K37.9Very low39.9Very low204 Ų204157 Ų15789%0.88778%0.784SS**  51.1103.3116-62.5-179.4178.9-170.20118.2
528S35.9Very low41Very low128 Ų128152.3 Ų152.390%0.89577%0.771SS**  trans-131.2116.9134.257.60000109
529Y38.6Very low42.3Very low187 Ų187149 Ų14973%0.73375%0.754SS**  trans-102.5110.1-171.7163.4-101.3000110.2E531Y529-E531 HydrophobicContact CE2-CG 3.9Å; Y529-E531 PolarHBondContact OH-OE2 3.49Å
530I44.2Very low43Very low156 Ų156143.2 Ų143.280%0.875%0.752SS**  trans-139.6114160.3-62.6-177.2000106
531E36.5Very low44.1Very low111 Ų111141.5 Ų141.552%0.51975%0.745SS.*  trans-70.1151.8173.7-90.6174.5127.200112.1Y529 E533Y529-E531 HydrophobicContact CE2-CG 3.9Å; Y529-E531 PolarHBondContact OH-OE2 3.49Å; E531-E533 HydrophobicContact CB-CG 4.28Å
532S42.2Very low45Very low110 Ų110139.4 Ų139.477%0.76974%0.735SS**  trans-144.568176.7-69.60000108.5E534S532-E534 PolarHBondContact O-N 2.83Å
533E59.1Low45.8Very low158 Ų158136.9 Ų136.974%0.73872%0.721SS**  trans-71.128.1-171-62.6-178-96.800115.2E531E531-E533 HydrophobicContact CB-CG 4.28Å
534E54.7Low46.4Very low193 Ų193129.7 Ų129.790%0.90270%0.698SS**  trans-126.536-166.3-69.4-158.5-101.700116.4S532S532-E534 PolarHBondContact O-N 2.83Å
535D57.7Low47.4Very low114 Ų114132.1 Ų132.161%0.6170%0.695SS**  trans-148.154.5160.9-159.8-6.1000114.8F537 S538D535-F537 PolarHBondContact O-N 2.89Å; D535-S538 PolarHBondContact OD1-N 2.81Å
536F52.9Low48.5Very low188 Ų188134.1 Ų134.183%0.82570%0.702SS**SBendtrans-77.98.2170.6-108.7-79.1000114.4
537F50Low49.1Very low165 Ų165132.1 Ų132.172%0.72470%0.703SS**  trans-141.262.2-178-70.7-64.7000113.9D535 L539D535-F537 PolarHBondContact O-N 2.89Å; F537-L539 HydrophobicContact CD1-CD1 3.73Å; F537-L539 HydrophobicContact CD1-CG 4.32Å; F537-L539 HydrophobicContact CE1-CD1 4.41Å; F537-L539 PolarHBondContact O-N 3.27Å
538S53.8Low50.1Low86 Ų86128.6 Ų128.660%0.60169%0.689SS**G310 helixtrans-59.58.5167.5-74.90000116D535 G540 A541D535-S538 PolarHBondContact OD1-N 2.81Å; S538-G540 PolarHBondContact O-N 3.15Å; S538-G540 VanDerWaalsContact O-N 3.07Å; S538-A541 PolarHBondContact O-N 2.8Å
539L56.3Low50.8Low101 Ų101128.2 Ų128.253%0.52968%0.683SS.*G310 helixtrans-57.1-18175.2-60.3177.5000114F537 A541F537-L539 HydrophobicContact CD1-CD1 3.73Å; F537-L539 HydrophobicContact CD1-CG 4.32Å; F537-L539 HydrophobicContact CE1-CD1 4.41Å; F537-L539 PolarHBondContact O-N 3.27Å; L539-A541 PolarHBondContact O-N 3.06Å
540G44.6Very low51.7Low68 Ų68128.1 Ų128.170%0.70169%0.687SS**G310 helixtrans-63.1-22-179.700000114.9S538S538-G540 PolarHBondContact O-N 3.15Å; S538-G540 VanDerWaalsContact O-N 3.07Å
541A52.6Low51.8Low81 Ų81126.7 Ų126.767%0.66969%0.688SS**G310 helixtrans-78.9-35.3-175.200000114S538 L539S538-A541 PolarHBondContact O-N 2.8Å; L539-A541 PolarHBondContact O-N 3.06Å
542E52.4Low52.6Low128 Ų128128.2 Ų128.260%0.59870%0.698SS**THydrogen-bonded Turntrans-92.6-31.4-166.556.5-170.4-17700114C544 N545E542-C544 PolarHBondContact O-N 2.8Å; E542-C544 VanDerWaalsContact O-N 3.14Å; E542-N545 WeakPolarHBondContact O-CB 3.4Å; E542-N545 PolarHBondContact O-N 3Å; E542-N545 VanDerWaalsContact O-N 3.09Å; E542-N545 PolarHBondContact O-ND2 2.85Å
543A47.4Very low53.2Low70 Ų70132.3 Ų132.358%0.57970%0.702SS**G310 helixtrans-58-28.1177.400000113.5N545 F546A543-N545 PolarHBondContact O-N 2.78Å; A543-F546 PolarHBondContact O-N 2.88Å
544C50.4Low53.1Low71 Ų71131.2 Ų131.248%0.4870%0.7SS.*G310 helixtrans-61.9-30.6178.2-166.90000112.9E542 F546 M547E542-C544 PolarHBondContact O-N 2.8Å; E542-C544 VanDerWaalsContact O-N 3.14Å; C544-F546 PolarHBondContact O-N 2.99Å; C544-M547 PolarHBondContact O-N 2.97Å
545N55.9Low53.2Low121 Ų121131.6 Ų131.665%0.64770%0.699SS**G310 helixtrans-67.1-21.5-177.8-68.9-53.9000113.7E542 A543E542-N545 WeakPolarHBondContact O-CB 3.4Å; E542-N545 PolarHBondContact O-N 3Å; E542-N545 VanDerWaalsContact O-N 3.09Å; E542-N545 PolarHBondContact O-ND2 2.85Å; A543-N545 PolarHBondContact O-N 2.78Å
546F58.7Low53.2Low187 Ų187132.4 Ų132.482%0.8270%0.703SS**G310 helixtrans-81.3-19.3178.7-161.6-98000113A543 C544A543-F546 PolarHBondContact O-N 2.88Å; C544-F546 PolarHBondContact O-N 2.99Å
547M50.2Low53.7Low148 Ų148128.8 Ų128.873%0.72970%0.699SS**THydrogen-bonded Turntrans-101.2-3.9-176.1-70.3-86.472.400114.6C544 P549C544-M547 PolarHBondContact O-N 2.97Å; M547-P549 WeakPolarHBondContact O-CD 3.4Å
548Q57.1Low53.9Low130 Ų130125.9 Ų125.961%0.60770%0.696SS**SBendtrans-86.7115.6172.1-64.1-162.211.800111.1K550Q548-K550 PolarHBondContact O-N 3.49Å; Q548-K550 VanDerWaalsContact O-N 3.1Å
549P51.7Low54.3Low119 Ų119128.2 Ų128.277%0.77371%0.71SS**  trans-66.4113.5172.927.3-32.9000109.4M547M547-P549 WeakPolarHBondContact O-CD 3.4Å
550K57.2Low54.5Low186 Ų186130 Ų13081%0.80972%0.724SS**  trans-54.3124.2177.3-67.3177.1-1791750109.2Q548 I552Q548-K550 PolarHBondContact O-N 3.49Å; Q548-K550 VanDerWaalsContact O-N 3.1Å; K550-I552 PolarHBondContact O-N 2.9Å
551P47.4Very low55.2Low125 Ų125130.5 Ų130.581%0.81272%0.722SS**  trans-70.195.6-174.326.6-34.3000110.8K553P551-K553 PolarHBondContact O-N 2.59Å; P551-K553 VanDerWaalsContact O-N 3.08Å
552I53Low55.3Low143 Ų143132.5 Ų132.573%0.73373%0.728SS**  trans-61.9111.5170-60.5175.5000107.1K550 L554K550-I552 PolarHBondContact O-N 2.9Å; I552-L554 HydrophobicContact CG2-CD2 4.01Å; I552-L554 HydrophobicContact CG2-CG 4.31Å; I552-L554 PolarHBondContact O-N 2.96Å
553K55.3Low55.1Low197 Ų197135.7 Ų135.786%0.85774%0.74SS**  trans-70.976.3174.3-71.9-172.8176.7-178.50110.3P551 K555P551-K553 PolarHBondContact O-N 2.59Å; P551-K553 VanDerWaalsContact O-N 3.08Å; K553-K555 PolarHBondContact O-N 3.01Å
554L55.4Low55.4Low135 Ų135137.8 Ų137.871%0.70775%0.748SS**  trans-55.4120165.6-64.2178.2000107.9I552 N556I552-L554 HydrophobicContact CG2-CD2 4.01Å; I552-L554 HydrophobicContact CG2-CG 4.31Å; I552-L554 PolarHBondContact O-N 2.96Å; L554-N556 PolarHBondContact O-N 3.09Å
555K57.5Low55.4Low201 Ų201141.2 Ų141.287%0.87477%0.767SS**SBendtrans-69.1-17.3-172.9-83.9-79.4-173.1165.40113.8K553K553-K555 PolarHBondContact O-N 3.01Å
556N58.5Low55Low131 Ų131142.4 Ų142.470%0.70177%0.772SS**SBendtrans-126.4140173.6-61-32.2000108.9L554L554-N556 PolarHBondContact O-N 3.09Å
557P62.5Low54.6Low112 Ų112138.9 Ų138.973%0.72776%0.761SS**PPolyproline II helixtrans-68.6157.1167.431.4-34.7000110.7
558P54.7Low54.7Low103 Ų103137.8 Ų137.867%0.66977%0.765SS**PPolyproline II helixtrans-62.9146.1169.728.5-34.6000110.5V560P558-V560 PolarHBondContact O-N 3.09Å
559P61.3Low54.1Low136 Ų136135.1 Ų135.188%0.88377%0.765SS**PPolyproline II helixtrans-65.5120.9-178.826.6-33.9000110.9
560V61.4Low53.9Low137 Ų137134.5 Ų134.583%0.8376%0.763SS**PPolyproline II helixtrans-80.3131174.2179.60000108.7P558P558-V560 PolarHBondContact O-N 3.09Å
561A59Low53.4Low80 Ų80131 Ų13166%0.66176%0.759SS**PPolyproline II helixtrans-62.7142.2176.500000111.2K563A561-K563 PolarHBondContact O-N 3.24Å
562P55.4Low53.1Low123 Ų123129.9 Ų129.980%0.79975%0.752SS**PPolyproline II helixtrans-62136.9178.126.4-34.1000110.7
563K48Very low52.2Low195 Ų195133.9 Ų133.985%0.84876%0.758SS**PPolyproline II helixtrans-65.4137.4175.3-73.6-177.4174.7-178.20110A561A561-K563 PolarHBondContact O-N 3.24Å
564P53.4Low51.1Low114 Ų114132 Ų13274%0.7476%0.757SS**PPolyproline II helixtrans-68.3136.7169.829.3-33.7000110.4I566P564-I566 PolarHBondContact O-N 3.22Å
565T49.9Very low50.4Low143 Ų143131.4 Ų131.488%0.87776%0.761SS**  trans-77111.5175.4-51.70000109.8
566I47.9Very low48.9Very low146 Ų146128.1 Ų128.175%0.74976%0.762SS**  trans-83.9124.1169.6-64.1175.6000108.2P564P564-I566 PolarHBondContact O-N 3.22Å
567N49.8Very low47.6Very low113 Ų113126.7 Ų126.760%0.60476%0.763SS**  trans-77126.2172.6-179-17000109.1A569N567-A569 PolarHBondContact O-N 2.9Å; N567-A569 VanDerWaalsContact O-N 3.11Å; N567-A569 WeakPolarHBondContact OD1-CB 3.44Å; N567-A569 PolarHBondContact OD1-N 3.31Å
568P53Low45.9Very low124 Ų124129.7 Ų129.781%0.80577%0.767SS**THydrogen-bonded Turntrans-66.5-8.7-177.627.4-36.3000114.9C570P568-C570 VanDerWaalsContact C-N 3.3Å; P568-C570 PolarHBondContact O-N 2.84Å
569A44.3Very low44.6Very low74 Ų74129.7 Ų129.761%0.61277%0.769SS**THydrogen-bonded Turntrans-71.9-11.7-176.100000115.8N567N567-A569 PolarHBondContact O-N 2.9Å; N567-A569 VanDerWaalsContact O-N 3.11Å; N567-A569 WeakPolarHBondContact OD1-CB 3.44Å; N567-A569 PolarHBondContact OD1-N 3.31Å
570C47.7Very low42.9Very low107 Ų107133.9 Ų133.972%0.72377%0.769SS**  trans-14287.9-174.4-61.40000113.4P568P568-C570 VanDerWaalsContact C-N 3.3Å; P568-C570 PolarHBondContact O-N 2.84Å
571P45.4Very low41.5Very low112 Ų112133.5 Ų133.573%0.72777%0.767SS**  trans-70.2140.6160.130.9-33000110.2
572P42.6Very low41.1Very low102 Ų102134.6 Ų134.666%0.66277%0.767SS**SBendtrans-72.4168.416831-33.3000111.2
573W33.8Very low39.7Very low226 Ų226133.9 Ų133.986%0.85677%0.765SS**  trans74.987.3177.3-46.496.8000116.4L754W573-L754 HydrophobicContact CH2-CD1 4.5Å
574N32Very low38.8Very low158 Ų158135.8 Ų135.885%0.84577%0.767SS**  trans-148.3123.7140.3-150.11.5000109.2
575P40.9Very low37.8Very low123 Ų123135.2 Ų135.280%0.79977%0.766SS**  trans-91.3128.9-177.333.6-30.8000111.6
576C26.3Very low37.5Very low131 Ų131134.3 Ų134.389%0.88576%0.762SS**  trans-136.2133163.7-165.50000109.4
577S30.3Very low36.6Very low102 Ų102132.8 Ų132.871%0.71376%0.759SS**  trans-95.8136.6176.750.30000110.3
578E27.1Very low35.7Very low175 Ų175133.1 Ų133.182%0.81877%0.771SS**  179.6151115.2-101.6-174.516500114.8
579S27.8Very low34.4Very low103 Ų103135.2 Ų135.272%0.7277%0.769SS**  trans72.3153143.4-69.40000123.4
580Y25.9Very low34.4Very low224 Ų224137 Ų13788%0.87877%0.774SS**  trans77.791.8162.7-105.1-91.6000122.2
581V31.9Very low33.4Very low129 Ų129135.6 Ų135.678%0.78277%0.766SS**  trans-105.4156.9147.4166.50000106.2
582P50.2Low32.7Very low103 Ų103138.8 Ų138.867%0.66977%0.771SS**  cis-131178.8-0.537.4-19.9000116.2
583S25.8Very low32Very low108 Ų108139 Ų13976%0.75578%0.775SS**  trans-164.9129.5131.7-86.40000110.3
584R29.2Very low32.3Very low234 Ų234134 Ų13488%0.88377%0.771SS**  62.1126.281-88.1-173.8179.1-161.30.7111.9
585S32.5Very low32Very low103 Ų103134.3 Ų134.372%0.7277%0.772SS**  cis-167-175.334.1-82.10000111
586P43.7Very low31.4Very low124 Ų124132 Ų13281%0.80577%0.77SS**  cis-132.5175.8-31.631.7-11.5000115.6
587V28.4Very low31.4Very low113 Ų113133.7 Ų133.769%0.68577%0.769SS**  trans-61.3151174.3166.70000115.6
588S30.7Very low31.3Very low120 Ų120136.7 Ų136.784%0.83977%0.772SS**  trans-160.4142.1136.1-79.80000112.9
589H27.1Very low31.4Very low168 Ų168131 Ų13178%0.77876%0.76SS**  trans-125.1-167.4173.2-51-104.3000108
590P42.3Very low31.5Very low111 Ų111132.9 Ų132.972%0.72176%0.758SS**  cis-131.7-171.1-17.730.5-7.3000113.6
591S27.2Very low31.6Very low78 Ų78129.6 Ų129.655%0.54575%0.75SS.*  trans36.7134.8145.756.50000121.3
592H30.5Very low31.5Very low179 Ų179132.5 Ų132.583%0.82975%0.748SS**  -166.3158.566.3-84.9-82.4000112.6
593S29.6Very low30.5Very low107 Ų107133 Ų13375%0.74875%0.745SS**  trans-92.4156.5162.656.70000110.8
594P38.5Very low30.8Very low120 Ų120134 Ų13478%0.77974%0.737SS**  -143.5173.4100.339.8-26.7000116.3
595I26.9Very low30.7Very low166 Ų166129 Ų12985%0.85172%0.724SS**  trans-51.8144.6170.6-65.8112.4000113.8
596G27.8Very low30.5Very low74 Ų74131 Ų13176%0.76372%0.722SS**  trans-163.1139.4168.500000112.7
597L25.8Very low29.7Very low166 Ų166130.5 Ų130.587%0.86971%0.713SS**  trans-104.8172.7-170.8-69.5164.5000113.2
598H29.5Very low29.6Very low166 Ų166135 Ų13577%0.76972%0.717SS**  trans73.4154.4162.4-131.884.8000115.8Q600H598-Q600 PolarHBondContact NE2-NE2 2.97Å
599G28.4Very low29.4Very low56 Ų56135.1 Ų135.158%0.57771%0.713SS**  cis152.3157-12.500000112.5
600Q29.9Very low29.4Very low142 Ų142138.2 Ų138.266%0.66472%0.718SS**  trans76.5131.4177.5-46.8-45.4-20.200116H598H598-Q600 PolarHBondContact NE2-NE2 2.97Å
601H27.7Very low29.3Very low154 Ų154138.3 Ų138.371%0.71372%0.719SS**  71.7135.672.5-101.7-91.3000111.6
602Y29.3Very low29.4Very low190 Ų190142.9 Ų142.975%0.74573%0.731SS**  cis-126.4164.426.1-116.8-136000111.8
603L29.4Very low29.3Very low114 Ų114141.7 Ų141.760%0.59773%0.726SS**  59.2149.977.5-112.183.2000114.2
604Q31.8Very low29.1Very low128 Ų128144.3 Ų144.360%0.59873%0.728SS**  cis-167.7148.96.3-178.260-14.600111.2
605Q27.1Very low28.5Very low131 Ų131143.6 Ų143.661%0.61273%0.733SS**  trans53.5138.4157.7-73.4171.7-74.300120.9
606Q29.1Very low28.6Very low145 Ų145138.6 Ų138.668%0.67872%0.722SS**  62.1148.793.3-52.1-177.4-72.700115.2
607D26.3Very low28.6Very low113 Ų113143.3 Ų143.360%0.60472%0.724SS**  cis-159.6178.110.6-140.6-14.5000114.9
608W25.9Very low28.8Very low207 Ų207147.1 Ų147.178%0.78473%0.727SS**  trans69.6150.8147.9-85.1109.6000125.2
609T28.1Very low28.8Very low122 Ų122142.9 Ų142.975%0.74872%0.721SS**  trans74.1114.1151.739.80000122.4
610R26.1Very low29.1Very low234 Ų234145 Ų14588%0.88373%0.727SS**  trans-82.1162.5148.1-144.8-174.3-175.4174.61.9108.6
611P40.7Very low29.1Very low113 Ų113143.9 Ų143.973%0.73473%0.725SS**  -148.6-148.886.541.2-22.1000114.9
612Q28.8Very low29.4Very low173 Ų173144.1 Ų144.181%0.80873%0.727SS**  trans-60176.1-171.1-69.4151.7-80.200116.3
613Q27.8Very low29.4Very low154 Ų154140.1 Ų140.172%0.7272%0.722SS**  cis144.8142.2-17.1-153.7-171.622.700108.6
614M26.8Very low29.6Very low162 Ų162143.6 Ų143.680%0.79874%0.735SS**  trans85.4155.4163.8-57.6-160.3174.400120.6
615A26Very low29.4Very low105 Ų105141.4 Ų141.487%0.86874%0.739SS**  trans60.8140.2-165.900000114.8
616G27.6Very low29.4Very low62 Ų62140.3 Ų140.364%0.63975%0.746SS**  cis112.5133.16.500000110.6
617H29.3Very low29.4Very low172 Ų172140.6 Ų140.680%0.79675%0.752SS**  cis-155.8-179.36.1-83.6-112.7000109.2
618W29.7Very low29.5Very low247 Ų247143.8 Ų143.894%0.93676%0.763SS**  trans72.7153.5163.6-55.2104.1000116.6
619A29.2Very low29.5Very low77 Ų77140.5 Ų140.564%0.63677%0.766SS**  cis-160.4178.2-9.200000112.3
620S33.8Very low30.4Very low101 Ų101140.4 Ų140.471%0.70677%0.767SS**  trans80.9143.7154.8-69.50000120.1
621D30.2Very low30.5Very low117 Ų117132.7 Ų132.763%0.62675%0.754SS**  cis-155.8159.2-9-119.1-45.5000115.1
622Q35Very low30.1Very low159 Ų159134.8 Ų134.874%0.74376%0.759SS**  trans19.4166.3153-72.9168.282.500123
623T29.1Very low30.1Very low107 Ų107130.4 Ų130.466%0.65675%0.752SS**  cis-154.2138.229.1-43.30000113.6
624E33.1Very low30.1Very low186 Ų186134.7 Ų134.787%0.86976%0.762SS**  trans41.8159.8153.8-62.5-170.111500123
625A27.1Very low30.1Very low82 Ų82133.5 Ų133.568%0.67876%0.763SS**  cis-148.8156.512.700000114.3
626S28.1Very low31Very low108 Ų108133.6 Ų133.676%0.75576%0.755SS**  trans52133.9138.4-147.30000121.8
627L28.9Very low31Very low152 Ų152137.1 Ų137.180%0.79676%0.763SS**  cis-166.7176.4-10.1-118.4178.9000110.3
628Q28.7Very low30.9Very low180 Ų180135.4 Ų135.484%0.84176%0.76SS**  trans74.995.9165.5-66.4-178.733.500120.7
629T24.7Very low30.9Very low137 Ų137127.7 Ų127.784%0.8474%0.744SS**  trans-90.4-172.5145.523.50000110
630P47.8Very low31.1Very low121 Ų121129.2 Ų129.279%0.78675%0.75SS**  cis-125.4-153.5-2.335.1-10.8000110.9
631A27.9Very low30.9Very low72 Ų72133.5 Ų133.560%0.59576%0.759SS**  cis-159.5148.95.800000113.4
632N33Very low30.9Very low157 Ų157135.4 Ų135.484%0.8477%0.768SS**  47.5152.3127.9-61.1-18.9000123.3
633A27.7Very low30.5Very low81 Ų81135.6 Ų135.667%0.66977%0.769SS**  cis-177-179.8-19.200000110.3
634R28.4Very low30.5Very low244 Ų244137.7 Ų137.792%0.92178%0.775SS**  trans87.6107.7157.6-62.3-179.4176.9143.6-0.1120.4
635V27.4Very low30.3Very low137 Ų137137.3 Ų137.383%0.8377%0.773SS**  trans-71.5-176.3141.4-114.80000109.9
636P44.8Very low31.2Very low107 Ų107138.4 Ų138.470%0.69577%0.773SS**  cis-146.8-162.725.8290.1000117
637V27.3Very low31.1Very low135 Ų135139.3 Ų139.382%0.81877%0.774SS**  trans77.9152158.3-170.80000117
638N26.7Very low31.2Very low137 Ų137137.3 Ų137.373%0.73377%0.768SS**  cis-174.6159.5-42-177.126.5000108.7
639S30.6Very low31.6Very low85 Ų85135.9 Ų135.959%0.59477%0.767SS**  trans71.8128.5159.1-73.20000122.1
640S32.1Very low31.6Very low109 Ų109135 Ų13576%0.76277%0.766SS**  48.4142.8126.4-48.10000120.5
641Q30.7Very low30.6Very low191 Ų191140.8 Ų140.889%0.89377%0.772SS**  cis-161.1-17434.5-159.6165.6-0.100111.5
642L29.5Very low30.9Very low156 Ų156141.4 Ų141.482%0.81777%0.772SS**  trans-87.7155.8176-61.9163000112
643H27.7Very low30.8Very low164 Ų164142.7 Ų142.776%0.75977%0.773SS**  160.7146.899.2-146.446.6000115.7
644L28Very low30.8Very low151 Ų151147.3 Ų147.379%0.79178%0.781SS**  trans68.4178.9155.2-83.1175.5000124
645H28.8Very low31.6Very low178 Ų178141.2 Ų141.282%0.82477%0.773SS**  trans-131.4-177.8-149.9-132.3-134.4000110.6
646P46.8Very low31.6Very low104 Ų104139 Ų13968%0.67576%0.763SS**  trans-129-174.4-135.844.5-28.6000117.6
647T26.6Very low30.7Very low128 Ų128142.1 Ų142.179%0.78577%0.773SS**  trans-152.9162176.547.80000109.5
648T30.6Very low30.6Very low109 Ų109140.9 Ų140.967%0.66977%0.771SS**  cis-169.8152.3-25.234.50000111
649N35.8Very low31.8Very low151 Ų151139.9 Ų139.981%0.80777%0.772SS**  trans76.3164.4148.9-60.1-10.5000123.3
650S25.1Very low31.7Very low117 Ų117140.3 Ų140.382%0.81878%0.78SS**  trans71.8132.3174.7-68.50000119.2
651W27.9Very low31.4Very low244 Ų244142.6 Ų142.692%0.92478%0.779SS**  cis95126.725.9-169.1-64.4000112.8
652S33.7Very low31.4Very low84 Ų84141.5 Ų141.559%0.58777%0.771SS**  cis-167.5-161.2-15.4670000111.1
653Q30Very low31.3Very low185 Ų185137.9 Ų137.986%0.86476%0.759SS**  trans97.1151.5162.3-50-146.395.100121.6
654Q29Very low31.5Very low178 Ų178140 Ų14083%0.83276%0.762SS**  trans-122.1-177.3168.3-62.5-168.7-35.600109.5
655P44.1Very low31.4Very low116 Ų116140 Ų14075%0.75376%0.762SS**  -157.3148.687.341.7-21.7000119.6
656S27.8Very low31.3Very low90 Ų90139.2 Ų139.263%0.62976%0.759SS**  trans55.6152.1132.672.80000127.4
657L26.4Very low30.3Very low172 Ų172140.1 Ų140.190%0.90176%0.762SS**  trans103.4159.1151.1-59.6-178.4000122.2
658S25.7Very low30.9Very low109 Ų109139.9 Ų139.976%0.76276%0.763SS**  trans-156.1-167.5-17164.10000109.5
659P51.7Low30.9Very low117 Ų117144.1 Ų144.176%0.7677%0.772SS**  cis-138.7-168-8.942.8-23.1000116.7
660A28.4Very low31Very low94 Ų94141.9 Ų141.978%0.77777%0.766SS**  trans74.9174.5159.600000119.2
661E25.7Very low31.2Very low157 Ų157143.4 Ų143.473%0.73476%0.764SS**  cis-161.5173.33.4-151.1-177-143.500113.7
662K29.1Very low31Very low168 Ų168139.8 Ų139.873%0.7376%0.757SS**  trans73.6133.2162.5-55.9176-164.5-177.10119.9
663S29.3Very low30.6Very low79 Ų79142 Ų14255%0.55277%0.767SS**  cis89.3144.416860000116.9
664Y31.5Very low30.7Very low209 Ų209138.4 Ų138.482%0.8276%0.762SS**  cis-133.8162.415.4-74.6-85000113.6
665L25.1Very low31.3Very low152 Ų152135.8 Ų135.880%0.79676%0.761SS**  171.4161.392.9-85.6174.5000109.1
666Q27.2Very low30.6Very low161 Ų161139.4 Ų139.475%0.75276%0.764SS**  cis-155.5-130.9-15.5-158.7175.3-4.700110.7
667T25.2Very low30.6Very low122 Ų122142.1 Ų142.175%0.74877%0.771SS**  trans-156.3162.3-165.244.60000111.9
668P40.6Very low30.6Very low124 Ų124143.8 Ų143.881%0.80577%0.766SS**  cis-142.4-166.835.742-20.1000118.7
669K30Very low31.2Very low198 Ų198144.5 Ų144.586%0.86177%0.765SS**  trans-119.1-167.5-179.8-65.3-175.5176.2-179.60109.4
670P37.6Very low30.9Very low104 Ų104144.5 Ų144.568%0.67577%0.765SS**  cis-146.8-175.36.546.4-26000118.8
671L28.3Very low31Very low149 Ų149145.5 Ų145.578%0.7876%0.757SS**  trans45.5155.6141.7-70.6164000121.6
672E25.7Very low31.2Very low168 Ų168149.6 Ų149.679%0.78577%0.766SS**  cis-168.8174.4-16.5-165.5175.6-134.300108.1
673V24.7Very low31.5Very low130 Ų130145.7 Ų145.779%0.78876%0.76SS**  trans159.6149.2140.3156.70000112.6
674S31.5Very low31.6Very low110 Ų110148.2 Ų148.277%0.76977%0.772SS**  trans-148.1149169.1-67.20000110.9
675P41.4Very low31.7Very low122 Ų122145 Ų14579%0.79277%0.768SS**  -145.6158.2110.837.7-23.5000113.4
676K30.6Very low32.1Very low192 Ų192146.7 Ų146.784%0.83577%0.773SS**  cis9691.711.1-161.1173.1-173.1174.10117.3
677L27.6Very low32.6Very low148 Ų148144 Ų14478%0.77578%0.778SS**  trans-170.8152.6153.8-122.972.2000107
678R25.6Very low33Very low207 Ų207142.6 Ų142.678%0.78178%0.779SS**  cis-150.6153.7-7.2-172.1173.7-91.2153.9-9.3108.5
679V38.5Very low33.2Very low123 Ų123144.5 Ų144.575%0.74578%0.782SS**  trans-127.3143.4170.1-179.70000108.5D681V679-D681 HydrophobicContact CG1-CB 4.1Å
680P44.5Very low33.9Very low118 Ų118138.3 Ų138.377%0.76677%0.774SS**  -130.1127.5118.935-26000109.6
681D31.5Very low34.4Very low115 Ų115138.3 Ų138.362%0.61577%0.772SS**  cis67.699.748.8-159.6-5.4000113.8V679 S683V679-D681 HydrophobicContact CG1-CB 4.1Å; D681-S683 WeakPolarHBondContact OD1-CB 3.28Å; D681-S683 PolarHBondContact OD1-N 3.45Å; D681-S683 PolarHBondContact OD1-OG 2.77Å
682R29.5Very low35.5Very low243 Ų243137.3 Ų137.392%0.91777%0.773SS**  trans-136.676.8140.3-163.3176.8-148.2-143.43.6110.2
683S34.9Very low37.2Very low86 Ų86136.4 Ų136.460%0.60177%0.77SS**  trans-56.3139.7165.8420000112.9D681D681-S683 WeakPolarHBondContact OD1-CB 3.28Å; D681-S683 PolarHBondContact OD1-N 3.45Å; D681-S683 PolarHBondContact OD1-OG 2.77Å
684V32.8Very low39.5Very low132 Ų132135 Ų13580%0.877%0.772SS**  trans-137.3141.5142.7-179.40000107.8
685N33.3Very low42Very low140 Ų140132 Ų13275%0.74976%0.759SS**  trans-60.1164179.9-56.5-70.5000111.6
686Q32.7Very low44.1Very low189 Ų189135 Ų13588%0.88376%0.76SS**  cis-149.5154.644.9-69.9172.380.400114.5
687A37.8Very low46.8Very low104 Ų104128.5 Ų128.586%0.8675%0.747SS**  trans-78.2146.4161.700000110.3
688A34.3Very low49.8Very low93 Ų93122.7 Ų122.777%0.76972%0.72SS**  trans-131.8138.8155.800000106.8G690A688-G690 PolarHBondContact O-N 2.91Å
689D45Very low52.6Low163 Ų163120.9 Ų120.987%0.87272%0.718SS**  trans-61.5104.4-178.2-83.7-65.4000110.7T691D689-T691 PolarHBondContact O-N 2.89Å
690G43.8Very low55.1Low68 Ų68121 Ų12170%0.70171%0.714SS**  trans-64.780.6171.500000109.5A688 T692A688-G690 PolarHBondContact O-N 2.91Å; G690-T692 PolarHBondContact O-N 3.21Å
691T47.6Very low57.3Low104 Ų104121.4 Ų121.464%0.63870%0.704SS**  trans-41.1114.3-178.5-71.80000108.2D689 M693D689-T691 PolarHBondContact O-N 2.89Å; T691-M693 HydrophobicContact CG2-CE 4.03Å; T691-M693 PolarHBondContact O-N 3.4Å
692T51.2Low60Low129 Ų129118.8 Ų118.879%0.79170%0.698SS**  trans-71.485.4-171.839.50000109G690 A694G690-T692 PolarHBondContact O-N 3.21Å; T692-A694 VanDerWaalsContact C-N 3.28Å; T692-A694 WeakPolarHBondContact O-CB 3.37Å; T692-A694 PolarHBondContact O-N 3.34Å
693M61.3Low62.9Low148 Ų148114.8 Ų114.873%0.72969%0.687SS**  trans-60.191.8-179.7-77-72.1170.800108.3T691 A698T691-M693 HydrophobicContact CG2-CE 4.03Å; T691-M693 PolarHBondContact O-N 3.4Å; M693-A698 HydrophobicContact CB-CB 3.65Å; M693-A698 WeakPolarHBondContact O-CB 3.47Å
694A73.8Confident65.5Low100 Ų100119.5 Ų119.583%0.82669%0.692SS**  trans-101.8109.9-170.400000109.2T692T692-A694 VanDerWaalsContact C-N 3.28Å; T692-A694 WeakPolarHBondContact O-CB 3.37Å; T692-A694 PolarHBondContact O-N 3.34Å
695G84.1Confident68.1Low47 Ų47115.7 Ų115.749%0.48567%0.665SS.*SBendtrans157.8-178.3176.100000114.5A698 K699G695-A698 PolarHBondContact O-N 2.96Å; G695-K699 PolarHBondContact O-N 3.29Å
696K84.5Confident70.6Confident187 Ų187112.1 Ų112.181%0.81365%0.651SS**Hα-helixtrans-65.9-40.1-178.2-63.7175.3-176.1172.60111.8K699 L700K696-K699 PolarHBondContact O-N 3.04Å; K696-L700 WeakPolarHBondContact O-CG 3.41Å; K696-L700 PolarHBondContact O-N 3.38Å
697G89.1Confident73.2Confident55 Ų55111.6 Ų111.657%0.56764%0.641SS**Hα-helixtrans-60.5-49175.700000112.1K699 L700 F701G697-K699 PolarHBondContact O-N 3.19Å; G697-L700 CarbonylContact O-C 3.6Å; G697-L700 WeakPolarHBondContact O-CA 3.36Å; G697-L700 WeakPolarHBondContact O-CB 3.3Å; G697-L700 PolarHBondContact O-N 2.93Å; G697-L700 VanDerWaalsContact O-N 3.09Å; G697-F701 PolarHBondContact O-N 3.06Å
698A90.4Very high75.3Confident26 Ų26111.4 Ų111.422%0.21562%0.623CS.*Hα-helixtrans-64.4-39.3177.900000113.6M693 G695 L700 F701 A702M693-A698 HydrophobicContact CB-CB 3.65Å; M693-A698 WeakPolarHBondContact O-CB 3.47Å; G695-A698 PolarHBondContact O-N 2.96Å; A698-L700 PolarHBondContact O-N 3.48Å; A698-F701 PolarHBondContact O-N 2.71Å; A698-F701 VanDerWaalsContact O-N 3.12Å; A698-A702 PolarHBondContact O-N 2.72Å
699K84.4Confident77.3Confident169 Ų169112.7 Ų112.774%0.73561%0.614SS**Hα-helixtrans-64.6-28.8172.8-171.6165.5-174.4166.40112.7G695 K696 G697 K703G695-K699 PolarHBondContact O-N 3.29Å; K696-K699 PolarHBondContact O-N 3.04Å; G697-K699 PolarHBondContact O-N 3.19Å; K699-K703 WeakPolarHBondContact O-CB 3.46Å; K699-K703 PolarHBondContact O-N 3.47Å
700L90.9Very high78.8Confident125 Ų125112.7 Ų112.765%0.65461%0.606SS**Hα-helixtrans-77.5-34.4170.7-69.9169.8000112.2K696 G697 A698 K703 R704K696-L700 WeakPolarHBondContact O-CG 3.41Å; K696-L700 PolarHBondContact O-N 3.38Å; G697-L700 CarbonylContact O-C 3.6Å; G697-L700 WeakPolarHBondContact O-CA 3.36Å; G697-L700 WeakPolarHBondContact O-CB 3.3Å; G697-L700 PolarHBondContact O-N 2.93Å; G697-L700 VanDerWaalsContact O-N 3.09Å; A698-L700 PolarHBondContact O-N 3.48Å; L700-K703 CarbonylContact O-C 3.53Å; L700-K703 PolarHBondContact O-N 3.36Å; L700-R704 WeakPolarHBondContact O-CB 3.08Å; L700-R704 PolarHBondContact O-N 2.94Å
701F89.5Confident80.1Confident127 Ų127116.6 Ų116.656%0.55760%0.604SS**Hα-helixtrans-65.8-53.9174.1-175.9-96.3000111.3G697 A698 K703 R704 Q705G697-F701 PolarHBondContact O-N 3.06Å; A698-F701 PolarHBondContact O-N 2.71Å; A698-F701 VanDerWaalsContact O-N 3.12Å; F701-K703 PolarHBondContact O-N 3.26Å; F701-R704 CarbonylContact O-C 3.53Å; F701-R704 WeakPolarHBondContact O-CA 3.01Å; F701-R704 WeakPolarHBondContact O-CB 3.27Å; F701-R704 PolarHBondContact O-N 3.17Å; F701-Q705 HydrophobicContact CD1-CG 4.01Å; F701-Q705 HydrophobicContact CE1-CG 3.73Å; F701-Q705 HydrophobicContact CZ-CG 4.08Å; F701-Q705 WeakPolarHBondContact O-CG 3.2Å; F701-Q705 PolarHBondContact O-N 3.03Å
702A89.1Confident81.5Confident60 Ų60115.4 Ų115.450%0.49660%0.596SS.*Hα-helixtrans-57.7-34.3174.800000112.3A698 S706A698-A702 PolarHBondContact O-N 2.72Å; A702-S706 WeakPolarHBondContact O-CB 3.39Å; A702-S706 PolarHBondContact O-N 2.89Å
703K89.8Confident82.4Confident159 Ų159114.8 Ų114.869%0.69159%0.587SS**Hα-helixtrans-78-17.7173.7-168.8165.1-177.21740113.9K699 L700 F701 R707K699-K703 WeakPolarHBondContact O-CB 3.46Å; K699-K703 PolarHBondContact O-N 3.47Å; L700-K703 CarbonylContact O-C 3.53Å; L700-K703 PolarHBondContact O-N 3.36Å; F701-K703 PolarHBondContact O-N 3.26Å; K703-R707 VanDerWaalsContact O-CB 3.3Å; K703-R707 WeakPolarHBondContact O-CB 3.39Å; K703-R707 PolarHBondContact O-N 3.21Å
704R91Very high82.5Confident185 Ų185112.9 Ų112.970%0.69858%0.579SS**Hα-helixtrans-78.2-47.6168-179.1-175.9-76.1-126.83.4109.8L700 F701 R707 M708L700-R704 WeakPolarHBondContact O-CB 3.08Å; L700-R704 PolarHBondContact O-N 2.94Å; F701-R704 CarbonylContact O-C 3.53Å; F701-R704 WeakPolarHBondContact O-CA 3.01Å; F701-R704 WeakPolarHBondContact O-CB 3.27Å; F701-R704 PolarHBondContact O-N 3.17Å; R704-R707 WeakPolarHBondContact O-CB 3.44Å; R704-R707 PolarHBondContact O-N 2.75Å; R704-R707 VanDerWaalsContact O-N 3.11Å; R704-M708 WeakPolarHBondContact O-CB 2.98Å; R704-M708 PolarHBondContact O-N 3.28Å
705Q87.3Confident81.6Confident52 Ų52111 Ų11124%0.24357%0.57CS.*Hα-helixtrans-59-54.3175.2-59.9-57.7-11.500110.7F701 R707 M708 E709F701-Q705 HydrophobicContact CD1-CG 4.01Å; F701-Q705 HydrophobicContact CE1-CG 3.73Å; F701-Q705 HydrophobicContact CZ-CG 4.08Å; F701-Q705 WeakPolarHBondContact O-CG 3.2Å; F701-Q705 PolarHBondContact O-N 3.03Å; Q705-R707 PolarHBondContact O-N 3Å; Q705-M708 CarbonylContact O-C 3.57Å; Q705-M708 WeakPolarHBondContact O-CA 3.32Å; Q705-M708 WeakPolarHBondContact O-CB 3.43Å; Q705-M708 PolarHBondContact O-N 2.87Å; Q705-E709 VanDerWaalsContact C-CD 3.46Å; Q705-E709 VanDerWaalsContact CB-OE1 3.27Å; Q705-E709 WeakPolarHBondContact CB-OE1 3.24Å; Q705-E709 WeakPolarHBondContact O-CB 3.37Å; Q705-E709 VanDerWaalsContact O-CG 3.28Å; Q705-E709 WeakPolarHBondContact O-CG 3.45Å; Q705-E709 PolarHBondContact O-N 2.87Å
706S85.8Confident80.3Confident64 Ų64117.4 Ų117.445%0.44859%0.587SS.*Hα-helixtrans-63.9-12.3174.8-1730000115.2A702 E709 K710A702-S706 WeakPolarHBondContact O-CB 3.39Å; A702-S706 PolarHBondContact O-N 2.89Å; S706-E709 VanDerWaalsContact CA-OE2 3.31Å; S706-E709 WeakPolarHBondContact CA-OE2 3.21Å; S706-E709 PolarHBondContact N-OE1 2.92Å; S706-K710 WeakPolarHBondContact O-CG 3.36Å
707R85.5Confident78.9Confident178 Ų178112.8 Ų112.867%0.67258%0.575SS**Hα-helixtrans-86.2-33.1166.2-179.4174.9178.4-93.20.9111.9K703 R704 Q705 F711K703-R707 VanDerWaalsContact O-CB 3.3Å; K703-R707 WeakPolarHBondContact O-CB 3.39Å; K703-R707 PolarHBondContact O-N 3.21Å; R704-R707 WeakPolarHBondContact O-CB 3.44Å; R704-R707 PolarHBondContact O-N 2.75Å; R704-R707 VanDerWaalsContact O-N 3.11Å; Q705-R707 PolarHBondContact O-N 3Å; R707-F711 HydrophobicContact CG-CE2 4.1Å; R707-F711 WeakPolarHBondContact O-CD2 3.42Å; R707-F711 VanDerWaalsContact O-CE2 3.27Å; R707-F711 WeakPolarHBondContact O-CE2 3.36Å
708M82.7Confident77.2Confident100 Ų100114.9 Ų114.949%0.49358%0.576SS.*Hα-helixtrans-77.5-45.4179.8-166172.68100111.7R704 Q705 K710 F711 V712R704-M708 WeakPolarHBondContact O-CB 2.98Å; R704-M708 PolarHBondContact O-N 3.28Å; Q705-M708 CarbonylContact O-C 3.57Å; Q705-M708 WeakPolarHBondContact O-CA 3.32Å; Q705-M708 WeakPolarHBondContact O-CB 3.43Å; Q705-M708 PolarHBondContact O-N 2.87Å; M708-K710 PolarHBondContact O-N 3.09Å; M708-F711 CarbonylContact O-C 3.55Å; M708-F711 PolarHBondContact O-N 3.48Å; M708-V712 HydrophobicContact CG-CG2 4.24Å; M708-V712 PolarHBondContact O-N 2.97Å
709E77.4Confident75Confident120 Ų120121.9 Ų121.956%0.56160%0.604SS**THydrogen-bonded Turntrans-52.6-19.7170.8-68.4155.8-151.400113.6Q705 S706Q705-E709 VanDerWaalsContact C-CD 3.46Å; Q705-E709 VanDerWaalsContact CB-OE1 3.27Å; Q705-E709 WeakPolarHBondContact CB-OE1 3.24Å; Q705-E709 WeakPolarHBondContact O-CB 3.37Å; Q705-E709 VanDerWaalsContact O-CG 3.28Å; Q705-E709 WeakPolarHBondContact O-CG 3.45Å; Q705-E709 PolarHBondContact O-N 2.87Å; S706-E709 VanDerWaalsContact CA-OE2 3.31Å; S706-E709 WeakPolarHBondContact CA-OE2 3.21Å; S706-E709 PolarHBondContact N-OE1 2.92Å
710K74.8Confident73.1Confident164 Ų164117.4 Ų117.471%0.71360%0.599SS**THydrogen-bonded Turntrans-89-1.3175.6-72.8-169.264.5163.70114.7S706 M708S706-K710 WeakPolarHBondContact O-CG 3.36Å; M708-K710 PolarHBondContact O-N 3.09Å
711F72Confident71.1Confident150 Ų150119.5 Ų119.566%0.65861%0.611SS**THydrogen-bonded Turntrans-130.7-20.9177.9-57.1-61.5000112.9R707 M708 I713R707-F711 HydrophobicContact CG-CE2 4.1Å; R707-F711 WeakPolarHBondContact O-CD2 3.42Å; R707-F711 VanDerWaalsContact O-CE2 3.27Å; R707-F711 WeakPolarHBondContact O-CE2 3.36Å; M708-F711 CarbonylContact O-C 3.55Å; M708-F711 PolarHBondContact O-N 3.48Å; F711-I713 PolarHBondContact O-N 3.26Å
712V77.8Confident68.9Low78 Ų78123 Ų12347%0.47363%0.626SS.*  trans-63128157.1178.70000107.7M708M708-V712 HydrophobicContact CG-CG2 4.24Å; M708-V712 PolarHBondContact O-N 2.97Å
713I69.1Low66.8Low116 Ų116127.2 Ų127.260%0.59565%0.646SS**  trans-121.1107.7174.4-61.5176000105.3F711 T717 V718F711-I713 PolarHBondContact O-N 3.26Å; I713-T717 WeakPolarHBondContact CG2-OG1 3.37Å; I713-V718 HydrophobicContact CG2-CG2 3.84Å
714D63.9Low64.8Low108 Ų108130.9 Ų130.958%0.57866%0.655SS**  trans-65.3136.3179.8-61.6-46.6000110.1E716 T717D714-E716 PolarHBondContact O-N 2.82Å; D714-E716 VanDerWaalsContact O-N 3.1Å; D714-T717 HydrophobicContact CB-CG2 4.48Å; D714-T717 WeakPolarHBondContact O-CB 3.46Å; D714-T717 PolarHBondContact O-N 2.9Å; D714-T717 PolarHBondContact O-OG1 2.83Å
715G55.4Low62.7Low60 Ų60126.7 Ų126.762%0.61966%0.655SS**G310 helixtrans-56.8-31.9-168.200000114.7T717 V718G715-T717 VanDerWaalsContact C-N 3.27Å; G715-T717 PolarHBondContact O-N 2.87Å; G715-V718 WeakPolarHBondContact O-CB 3.46Å; G715-V718 PolarHBondContact O-N 2.84Å
716E55.6Low60.8Low182 Ų182130.1 Ų130.185%0.8568%0.681SS**G310 helixtrans-63.2-32.3175.4-64.1-170.8119.900112.7D714 V718 Q719D714-E716 PolarHBondContact O-N 2.82Å; D714-E716 VanDerWaalsContact O-N 3.1Å; E716-V718 PolarHBondContact O-N 3.18Å; E716-Q719 PolarHBondContact O-N 2.78Å
717T55.7Low58.7Low90 Ų90131.3 Ų131.355%0.55269%0.69SS**G310 helixtrans-73.8-10.8-179.769.40000113.7I713 D714 G715I713-T717 WeakPolarHBondContact CG2-OG1 3.37Å; D714-T717 HydrophobicContact CB-CG2 4.48Å; D714-T717 WeakPolarHBondContact O-CB 3.46Å; D714-T717 PolarHBondContact O-N 2.9Å; D714-T717 PolarHBondContact O-OG1 2.83Å; G715-T717 VanDerWaalsContact C-N 3.27Å; G715-T717 PolarHBondContact O-N 2.87Å
718V52.9Low57Low100 Ų100129.2 Ų129.261%0.60670%0.699SS**G310 helixtrans-79.1-25.5179.3-174.80000111.7I713 G715 E716 A720I713-V718 HydrophobicContact CG2-CG2 3.84Å; G715-V718 WeakPolarHBondContact O-CB 3.46Å; G715-V718 PolarHBondContact O-N 2.84Å; E716-V718 PolarHBondContact O-N 3.18Å; V718-A720 PolarHBondContact O-N 2.7Å
719Q45.2Very low55.3Low172 Ų172129.7 Ų129.780%0.80471%0.708SS**SBendtrans-81.238-178-77.9-73.319.400114.3E716E716-Q719 PolarHBondContact O-N 2.78Å
720A43Very low54Low75 Ų75129.2 Ų129.262%0.6272%0.717SS**  trans-137.288.417800000111.6V718 K722V718-A720 PolarHBondContact O-N 2.7Å; A720-K722 PolarHBondContact O-N 3.48Å
721N50.6Low52.8Low169 Ų169125.8 Ų125.890%0.90471%0.714SS**  trans-58.8101.2177.2-84.7-57.9000112.3
722K43Very low52.4Low200 Ų200123 Ų12387%0.8771%0.706SS**  trans-143.3128166.3-111.7162.1-177163.40109.7A720 R724A720-K722 PolarHBondContact O-N 3.48Å; K722-R724 PolarHBondContact O-N 3.11Å; K722-R724 VanDerWaalsContact O-N 3.16Å
723T44.1Very low51.6Low149 Ų149123 Ų12391%0.91471%0.707SS**  trans-61.6115.8-173.829.50000111.5S725T723-S725 PolarHBondContact O-N 2.83Å
724R47.4Very low50.7Low236 Ų236124.1 Ų124.189%0.89172%0.715SS**PPolyproline II helixtrans-62.5121.3179-167.7-176.1-164-178.18.7109.8K722K722-R724 PolarHBondContact O-N 3.11Å; K722-R724 VanDerWaalsContact O-N 3.16Å
725S47.9Very low50.3Low98 Ų98124 Ų12469%0.68572%0.722SS**PPolyproline II helixtrans-60.6138.4173.254.70000110.7T723 S727T723-S725 PolarHBondContact O-N 2.83Å; S725-S727 PolarHBondContact O-N 2.88Å
726P47.9Very low50.1Low123 Ų123130 Ų13080%0.79973%0.726SS**PPolyproline II helixtrans-61.7137.9178.326-34.3000110.7
727S41.7Very low49.9Very low90 Ų90128.7 Ų128.763%0.62971%0.714SS**PPolyproline II helixtrans-61143.9-179.251.60000111.9S725 T729S725-S727 PolarHBondContact O-N 2.88Å; S727-T729 VanDerWaalsContact C-N 3.26Å; S727-T729 PolarHBondContact O-N 2.94Å; S727-T729 PolarHBondContact O-OG1 2.88Å
728P48.5Very low49.3Very low134 Ų134135.7 Ų135.787%0.8773%0.731SS**  trans-69.882.3178.230.2-35.8000110.8S730P728-S730 PolarHBondContact O-N 3.27Å
729T46.4Very low49Very low110 Ų110134.7 Ų134.768%0.67573%0.729SS**  trans-69114.8178-53.70000108.4S727 S731S727-T729 VanDerWaalsContact C-N 3.26Å; S727-T729 PolarHBondContact O-N 2.94Å; S727-T729 PolarHBondContact O-OG1 2.88Å; T729-S731 PolarHBondContact O-N 3.37Å
730S50.2Low49.2Very low109 Ų109131.6 Ų131.676%0.76273%0.726SS**  trans-73.180.5174.2-169.30000110P728 L732P728-S730 PolarHBondContact O-N 3.27Å; S730-L732 PolarHBondContact O-N 3.24Å; S730-L732 VanDerWaalsContact O-N 3.09Å
731S50.2Low49.6Very low92 Ų92136 Ų13664%0.64374%0.74SS**  trans-70.29816740.30000109.1T729T729-S731 PolarHBondContact O-N 3.37Å
732L64.6Low49.3Very low93 Ų93134 Ų13449%0.48773%0.728SS.*  trans-47137.2162.4-68.7172.4000109.4S730 W736S730-L732 PolarHBondContact O-N 3.24Å; S730-L732 VanDerWaalsContact O-N 3.09Å; L732-W736 HydrophobicContact CB-CB 4.5Å
733P61.1Low49.9Very low76 Ų76136.6 Ų136.649%0.49473%0.732SS.*  trans-57.1147.6-175.424.5-34.7000110.9S735 W736P733-S735 PolarHBondContact O-N 2.88Å; P733-W736 HydrophobicContact CG-CG 4.41Å; P733-W736 PolarHBondContact O-N 3.45Å
734N49.3Very low50.5Low141 Ų141132.3 Ų132.375%0.75471%0.711SS**G310 helixtrans-61.9-21-165.8-149.922.3000113.8W736 R737N734-W736 PolarHBondContact O-N 3.1Å; N734-R737 PolarHBondContact O-N 3.16Å
735S55.8Low50.9Low106 Ų106126.4 Ų126.474%0.74170%0.704SS**G310 helixtrans-66.9-1417250.60000115P733P733-S735 PolarHBondContact O-N 2.88Å
736W50.5Low51.6Low186 Ų186125.4 Ų125.471%0.70570%0.695SS**G310 helixtrans-96.65.1176.2-74.849.4000112.7L732 P733 N734 Y738L732-W736 HydrophobicContact CB-CB 4.5Å; P733-W736 HydrophobicContact CG-CG 4.41Å; P733-W736 PolarHBondContact O-N 3.45Å; N734-W736 PolarHBondContact O-N 3.1Å; W736-Y738 PolarHBondContact O-N 3.29Å
737R51.7Low52.7Low154 Ų154123.8 Ų123.858%0.58168%0.684SS**  trans-9492.1175-63.2-67.4175.9145.8-3.5110.3N734 S739N734-R737 PolarHBondContact O-N 3.16Å; R737-S739 PolarHBondContact O-N 2.92Å
738Y44.4Very low53.4Low236 Ų236128.7 Ų128.793%0.92570%0.703SS**  trans-63.1117.2161.7-83-82.7000109.4W736 S740W736-Y738 PolarHBondContact O-N 3.29Å; Y738-S740 PolarHBondContact O-N 2.98Å
739S45.8Very low54.2Low80 Ų80127.4 Ų127.456%0.55970%0.697SS**  trans-71.1105.6177410000110.8R737 N741R737-S739 PolarHBondContact O-N 2.92Å; S739-N741 PolarHBondContact O-N 3.31Å
740S50Low54.9Low106 Ų106128 Ų12874%0.74169%0.688SS**THydrogen-bonded Turntrans-61.5121.3170.152.90000110.2Y738Y738-S740 PolarHBondContact O-N 2.98Å
741N50.2Low55.7Low169 Ų169126.4 Ų126.490%0.90467%0.67SS**THydrogen-bonded Turntrans74.818.8170-53.6-10.7000118.2S739S739-N741 PolarHBondContact O-N 3.31Å
742I44.4Very low56.3Low127 Ų127125.9 Ų125.965%0.65166%0.664SS**  trans-115.8111.8156.7-57.4-179.7000108.8A744I742-A744 PolarHBondContact O-N 3.2Å
743R55.8Low56Low253 Ų253128.7 Ų128.796%0.95568%0.679SS**  trans-76.172.9169.9-168.6-174.3-169.7-164.53.1108.9
744A56.1Low55.6Low59 Ų59130.8 Ų130.849%0.48869%0.686SS.*PPolyproline II helixtrans-52.8144.3170.200000109.4I742I742-A744 PolarHBondContact O-N 3.2Å
745P55.6Low56.2Low112 Ų112126.3 Ų126.373%0.72767%0.665SS**PPolyproline II helixtrans-55.8144167.226.7-33.8000108.5
746P63.9Low56.2Low78 Ų78127.4 Ų127.451%0.50667%0.67SS.*PPolyproline II helixtrans-58.3149.3174.129.2-35.5000109.1Y750P746-Y750 HydrophobicContact CB-CD1 3.81Å; P746-Y750 HydrophobicContact CB-CD2 4.16Å; P746-Y750 HydrophobicContact CB-CE1 4.48Å; P746-Y750 HydrophobicContact CB-CG 3.63Å; P746-Y750 HydrophobicContact CG-CD1 3.89Å; P746-Y750 HydrophobicContact CG-CG 4.21Å
747P69.7Low56.3Low88 Ų88127.4 Ų127.457%0.57168%0.676SS**PPolyproline II helixtrans-56.8152-176.325-35.1000110.7S749 Y750P747-S749 PolarHBondContact O-N 3.37Å; P747-Y750 WeakPolarHBondContact O-CB 3.44Å; P747-Y750 PolarHBondContact O-N 2.67Å
748L57.4Low55.9Low194 Ų194128.9 Ų128.9100%1.01668%0.682SS**THydrogen-bonded Turntrans-59.5-13.3-175.6-68.4167.9000114.4
749S65.3Low56Low106 Ų106121.6 Ų121.674%0.74166%0.664SS**THydrogen-bonded Turntrans-86.4-1171.453.20000114.9P747 N751P747-S749 PolarHBondContact O-N 3.37Å; S749-N751 PolarHBondContact O-N 3.38Å
750Y60.6Low56.2Low124 Ų124122.8 Ų122.849%0.48667%0.67SS.*  trans-75.293.5-179.7-176.6-96000111.1P746 P747 P752P746-Y750 HydrophobicContact CB-CD1 3.81Å; P746-Y750 HydrophobicContact CB-CD2 4.16Å; P746-Y750 HydrophobicContact CB-CE1 4.48Å; P746-Y750 HydrophobicContact CB-CG 3.63Å; P746-Y750 HydrophobicContact CG-CD1 3.89Å; P746-Y750 HydrophobicContact CG-CG 4.21Å; P747-Y750 WeakPolarHBondContact O-CB 3.44Å; P747-Y750 PolarHBondContact O-N 2.67Å; Y750-P752 HydrophobicContact CE1-CB 4.06Å; Y750-P752 VanDerWaalsContact O-CD 3.28Å; Y750-P752 WeakPolarHBondContact O-CD 3.3Å
751N67.3Low55.7Low75 Ų75123.4 Ų123.440%0.40167%0.674SS.*  trans-79.7110.3168.6-175.9-12.3000109.7S749 L753 L754S749-N751 PolarHBondContact O-N 3.38Å; N751-L753 PolarHBondContact O-N 3.1Å; N751-L753 VanDerWaalsContact OD1-CB 3.31Å; N751-L753 WeakPolarHBondContact OD1-CB 3.34Å; N751-L753 PolarHBondContact OD1-N 3.33Å; N751-L754 HydrophobicContact CB-CB 4.39Å; N751-L754 HydrophobicContact CB-CD1 4.37Å; N751-L754 HydrophobicContact CB-CG 4.42Å; N751-L754 PolarHBondContact O-N 3.23Å; N751-L754 VanDerWaalsContact O-N 3.09Å
752P62.7Low55.5Low80 Ų80118.5 Ų118.552%0.51966%0.657SS.*G310 helixtrans-63.8-25-178.127.1-35.2000112.9Y750 L754 S755Y750-P752 HydrophobicContact CE1-CB 4.06Å; Y750-P752 VanDerWaalsContact O-CD 3.28Å; Y750-P752 WeakPolarHBondContact O-CD 3.3Å; P752-L754 PolarHBondContact O-N 3.38Å; P752-S755 WeakPolarHBondContact O-CB 3.29Å; P752-S755 PolarHBondContact O-N 3.38Å; P752-S755 PolarHBondContact O-OG 3.33Å
753L58.4Low55.2Low153 Ų153116.2 Ų116.280%0.80166%0.657SS**G310 helixtrans-72.5-16.8178.4-52.5177.5000113N751N751-L753 PolarHBondContact O-N 3.1Å; N751-L753 VanDerWaalsContact OD1-CB 3.31Å; N751-L753 WeakPolarHBondContact OD1-CB 3.34Å; N751-L753 PolarHBondContact OD1-N 3.33Å
754L52.7Low54.4Low119 Ų119114 Ų11462%0.62365%0.654SS**G310 helixtrans-108.212175.7-60.6179.1000112.4W573 N751 P752W573-L754 HydrophobicContact CH2-CD1 4.5Å; N751-L754 HydrophobicContact CB-CB 4.39Å; N751-L754 HydrophobicContact CB-CD1 4.37Å; N751-L754 HydrophobicContact CB-CG 4.42Å; N751-L754 PolarHBondContact O-N 3.23Å; N751-L754 VanDerWaalsContact O-N 3.09Å; P752-L754 PolarHBondContact O-N 3.38Å
755S61.9Low53.4Low47 Ų47119.7 Ų119.733%0.32967%0.671SS.*SBendtrans-61.4138.8169.461.50000109.9P752 F757P752-S755 WeakPolarHBondContact O-CB 3.29Å; P752-S755 PolarHBondContact O-N 3.38Å; P752-S755 PolarHBondContact O-OG 3.33Å; S755-F757 PolarHBondContact O-N 3.11Å
756P55.5Low52.7Low130 Ų130120 Ų12084%0.84467%0.673SS**  trans-63.4108.5-175.524-33.2000110.1Y758P756-Y758 PolarHBondContact O-N 3.42Å
757F52.3Low51.4Low186 Ų186122.2 Ų122.282%0.81669%0.687SS**PPolyproline II helixtrans-58.7127.2-168.9-141-92.2000111.1S755S755-F757 PolarHBondContact O-N 3.11Å
758Y43.7Very low49.7Very low184 Ų184123.8 Ų123.872%0.72270%0.701SS**PPolyproline II helixtrans-65.1126-179.7-153.4-88.1000109.2P756 A762P756-Y758 PolarHBondContact O-N 3.42Å; Y758-A762 HydrophobicContact CD1-CB 4.43Å; Y758-A762 HydrophobicContact CE1-CB 3.8Å
759P47.5Very low48.8Very low83 Ų83121 Ų12154%0.53969%0.692SS.*PPolyproline II helixtrans-63.3128.9-175.323.4-32.7000110.4S761P759-S761 PolarHBondContact O-N 3.34Å
760P49Very low47.2Very low106 Ų106121.4 Ų121.469%0.68870%0.695SS**G310 helixtrans-58.6-14.7-174.5-29.436.5000115.9A762 A763P760-A762 PolarHBondContact O-N 3.35Å; P760-A763 WeakPolarHBondContact O-CB 3.43Å; P760-A763 PolarHBondContact O-N 3.05Å
761S40.8Very low46.1Very low118 Ų118121.6 Ų121.683%0.82571%0.711SS**G310 helixtrans-59.6-7.3-178.6-45.20000115.8P759P759-S761 PolarHBondContact O-N 3.34Å
762A44.7Very low44.6Very low66 Ų66127.6 Ų127.655%0.54573%0.734SS.*G310 helixtrans-84.6-13.5172.300000114Y758 P760 K764Y758-A762 HydrophobicContact CD1-CB 4.43Å; Y758-A762 HydrophobicContact CE1-CB 3.8Å; P760-A762 PolarHBondContact O-N 3.35Å; A762-K764 PolarHBondContact O-N 3.31Å; A762-K764 VanDerWaalsContact O-N 3.15Å
763A39.4Very low43.2Very low80 Ų80130.6 Ų130.666%0.66175%0.751SS**  trans-8092.1177.100000111.1P760 Q765P760-A763 WeakPolarHBondContact O-CB 3.43Å; P760-A763 PolarHBondContact O-N 3.05Å; A763-Q765 PolarHBondContact O-N 3.18Å
764K37.2Very low42Very low205 Ų205132.5 Ų132.589%0.89175%0.752SS**PPolyproline II helixtrans-65.6117.6170.5-76.7-166.4173.3-171.30110.5A762A762-K764 PolarHBondContact O-N 3.31Å; A762-K764 VanDerWaalsContact O-N 3.15Å
765Q35.5Very low41.3Very low180 Ų180133 Ų13384%0.84176%0.763SS**PPolyproline II helixtrans-59.6145.8166.7-64.2178.9-73.400110.7A763A763-Q765 PolarHBondContact O-N 3.18Å
766P41.9Very low39.8Very low117 Ų117140.2 Ų140.276%0.7679%0.788SS**PPolyproline II helixtrans-68.9143.316131.1-33.2000109.9
767P36.8Very low38.8Very low125 Ų125139.8 Ų139.881%0.81279%0.789SS**PPolyproline II helixtrans-69.2143.9174.129.6-34.1000111.1
768S33.8Very low37.9Very low122 Ų122140.5 Ų140.585%0.85379%0.791SS**  trans-103.7110.8177.8-177.40000111
769T37.1Very low37.4Very low136 Ų136140 Ų14083%0.83480%0.796SS**  trans-144.7131166.6470000108.8
770S32.1Very low36.7Very low114 Ų114144.2 Ų144.280%0.79781%0.805SS**  trans-99.3169.1-179620000112
771P37.5Very low36.1Very low128 Ų128145.3 Ų145.383%0.83181%0.812SS**  -141.3-176.193.937.8-22.8000114.9
772K35.2Very low35.9Very low201 Ų201149.4 Ų149.487%0.87482%0.815SS**  trans-86.2138.7-176.8-59.4166.6179.4168.10112.9
773T33.4Very low35.5Very low143 Ų143151.6 Ų151.688%0.87783%0.827SS**  trans-145.7159.5142.544.90000110.4
774K33.2Very low35.3Very low192 Ų192153.6 Ų153.684%0.83583%0.831SS**  trans-119.8156.9166.8-66.7178.9178.6170.60107.5
775P38.9Very low35.5Very low131 Ų131149.7 Ų149.785%0.85183%0.827SS**  -134.5-176.893.232.5-18.3000113.4
776K30.7Very low36Very low197 Ų197150.4 Ų150.486%0.85783%0.827SS**  trans-110.9146174.7-74.2-173176.6-177.20111.1
777S33.3Very low36.4Very low122 Ų122153.9 Ų153.985%0.85383%0.833SS**  trans-133.9167137.264.70000108.6
778K35.2Very low37.6Very low201 Ų201154.2 Ų154.287%0.87483%0.828SS**  trans-107.2140.8177.9-67.3177.8179.2175.70109.3
779E31.3Very low39.1Very low173 Ų173152.6 Ų152.681%0.80881%0.809SS**  trans-151.6-175.4133.1-122-159.2134.100113.6
780K34.6Very low40.2Very low171 Ų171149.1 Ų149.174%0.74379%0.794SS**  trans-77150.4-155.2-66.6166.7-177.31610114.6
781P34.6Very low41.8Very low129 Ų129148.9 Ų148.984%0.83878%0.783SS**  trans-68134168.829.9-34.1000111.1
782K36.6Very low43Very low204 Ų204146.7 Ų146.789%0.88777%0.765SS**  trans-107.5153.5160.6-84.8-177.9174.4177.20109.6
783S36.5Very low44.4Very low113 Ų113142.4 Ų142.479%0.7975%0.75SS**PPolyproline II helixtrans-62.4146-169.249.20000113.9
784T37Very low45.8Very low122 Ų122143.1 Ų143.175%0.74875%0.746SS**PPolyproline II helixtrans-57.2140.1161.942.90000110.6K786T784-K786 PolarHBondContact O-N 3.21Å
785P39.8Very low47.3Very low123 Ų123141.5 Ų141.580%0.79974%0.738SS**PPolyproline II helixtrans-65.3133167.528.5-32.8000108.6Q787P785-Q787 PolarHBondContact O-N 3.31Å
786K47.2Very low48.5Very low194 Ų194142.5 Ų142.584%0.84373%0.731SS**PPolyproline II helixtrans-67.6120.2173.6-68.7-179.8179.8178.10108.5T784 L788T784-K786 PolarHBondContact O-N 3.21Å; K786-L788 PolarHBondContact O-N 3.08Å
787Q50Low50.1Low190 Ų190140.9 Ų140.989%0.88873%0.727SS**PPolyproline II helixtrans-60.4116.8167.6-178.6176.7-1.900108.1P785P785-Q787 PolarHBondContact O-N 3.31Å
788L61.1Low51.5Low133 Ų133139.2 Ų139.270%0.69671%0.713SS**PPolyproline II helixtrans-63.7141177.7-66.9176.8000109.9K786 A790 I793K786-L788 PolarHBondContact O-N 3.08Å; L788-A790 PolarHBondContact O-N 3.28Å; L788-I793 HydrophobicContact CB-CD1 4.39Å
789N65.1Low52.6Low87 Ų87140.3 Ų140.347%0.46571%0.714SS.*PPolyproline II helixtrans-70.7131-179.8-173.6-9.7000109.4L791 D792 I793N789-L791 PolarHBondContact O-N 3.15Å; N789-L791 VanDerWaalsContact O-N 3.12Å; N789-L791 PolarHBondContact OD1-N 3.3Å; N789-D792 WeakPolarHBondContact CB-OD2 3.46Å; N789-D792 PolarHBondContact O-N 3.13Å; N789-I793 PolarHBondContact O-N 3.4Å
790A60.8Low53.9Low63 Ų63141 Ų14152%0.52172%0.717SS.*Hα-helixtrans-57.6-29.2179.800000112.6L788 I793 M794L788-A790 PolarHBondContact O-N 3.28Å; A790-I793 PolarHBondContact O-N 3.35Å; A790-M794 WeakPolarHBondContact O-CG 3.41Å; A790-M794 PolarHBondContact O-N 2.87Å; A790-M794 VanDerWaalsContact O-N 3.14Å
791L66.4Low55.1Low109 Ų109139 Ų13957%0.57171%0.713SS**Hα-helixtrans-71.3-25.9176.8-63.8178.3000113.8N789 K795N789-L791 PolarHBondContact O-N 3.15Å; N789-L791 VanDerWaalsContact O-N 3.12Å; N789-L791 PolarHBondContact OD1-N 3.3Å; L791-K795 WeakPolarHBondContact O-CD 3.14Å; L791-K795 VanDerWaalsContact O-CG 3.23Å; L791-K795 WeakPolarHBondContact O-CG 3.39Å; L791-K795 PolarHBondContact O-N 3.2Å
792D63Low56.1Low82 Ų82138.4 Ų138.444%0.43970%0.703SS.*Hα-helixtrans-75.8-42.1174.5-63.7-33.6000110N789 M794 K795 H796N789-D792 WeakPolarHBondContact CB-OD2 3.46Å; N789-D792 PolarHBondContact O-N 3.13Å; D792-M794 PolarHBondContact O-N 3.15Å; D792-K795 WeakPolarHBondContact O-CB 3.44Å; D792-K795 PolarHBondContact O-N 2.64Å; D792-H796 PolarHBondContact O-CD2 3.28Å; D792-H796 VanDerWaalsContact O-CD2 3.25Å; D792-H796 PolarHBondContact O-N 3.34Å
793I64.6Low56.8Low112 Ų112133.5 Ų133.557%0.57470%0.695SS**Hα-helixtrans-58.2-36.3174.9-57173.9000111L788 N789 A790 K795L788-I793 HydrophobicContact CB-CD1 4.39Å; N789-I793 PolarHBondContact O-N 3.4Å; A790-I793 PolarHBondContact O-N 3.35Å; I793-K795 VanDerWaalsContact C-N 3.33Å
794M61.8Low58.1Low158 Ų158132.5 Ų132.578%0.77869%0.688SS**THydrogen-bonded Turntrans-80.4-4.4175.3-68.9-17967.400114.9A790 D792A790-M794 WeakPolarHBondContact O-CG 3.41Å; A790-M794 PolarHBondContact O-N 2.87Å; A790-M794 VanDerWaalsContact O-N 3.14Å; D792-M794 PolarHBondContact O-N 3.15Å
795K64.7Low59.3Low157 Ų157132.5 Ų132.568%0.68368%0.682SS**THydrogen-bonded Turntrans-100.1-21.1-179.7-86171.4171.3-69.40114.2L791 D792 I793L791-K795 WeakPolarHBondContact O-CD 3.14Å; L791-K795 VanDerWaalsContact O-CG 3.23Å; L791-K795 WeakPolarHBondContact O-CG 3.39Å; L791-K795 PolarHBondContact O-N 3.2Å; D792-K795 WeakPolarHBondContact O-CB 3.44Å; D792-K795 PolarHBondContact O-N 2.64Å; I793-K795 VanDerWaalsContact C-N 3.33Å
796H63.6Low60.6Low152 Ų152133.7 Ų133.770%0.70468%0.675SS**SBendtrans-68.4133.2172-72.5-81.1000110.5D792D792-H796 PolarHBondContact O-CD2 3.28Å; D792-H796 VanDerWaalsContact O-CD2 3.25Å; D792-H796 PolarHBondContact O-N 3.34Å
797Q65.8Low61Low163 Ų163128.9 Ų128.976%0.76266%0.662SS**PPolyproline II helixtrans-64.6145.8170.1-65-61.2-64.700109.5
798P62.6Low60.6Low88 Ų88130.8 Ų130.857%0.57166%0.663SS**SBendtrans-65.3153170.431.1-35.3000110.2
799Y58.5Low59.8Low224 Ų224131.4 Ų131.488%0.87867%0.667SS**SBendtrans72.446.2173.3-37.5-65000117.3
800Q56.7Low58.9Low186 Ų186132.2 Ų132.287%0.86969%0.686SS**  trans-137.4106.5143.9-108.8167.9-3.200109.5
801L61.4Low57.6Low129 Ų129133.5 Ų133.568%0.67570%0.697SS**  trans-98.9126.8162.1-69.7175.4000106.6S803 F806L801-S803 PolarHBondContact O-N 3.22Å; L801-F806 HydrophobicContact CB-CE2 4.4Å; L801-F806 HydrophobicContact CD1-CE2 4.32Å; L801-F806 HydrophobicContact CD1-CZ 4.33Å
802D54Low56.2Low118 Ų118133.7 Ų133.763%0.63171%0.707SS**  trans-61.1127.6176-62.8-52.9000109.8S804 L805D802-S804 PolarHBondContact O-N 3.27Å; D802-S804 VanDerWaalsContact O-N 3.09Å; D802-L805 WeakPolarHBondContact O-CB 3.35Å; D802-L805 PolarHBondContact O-N 2.81Å
803S53.1Low54.5Low101 Ų101137.5 Ų137.571%0.70672%0.722SS**G310 helixtrans-60.6-20.7178.146.10000113.1L801 L805 F806L801-S803 PolarHBondContact O-N 3.22Å; S803-L805 PolarHBondContact O-N 2.89Å; S803-F806 PolarHBondContact O-N 3.33Å
804S61.9Low53.1Low91 Ų91136.8 Ų136.864%0.63673%0.733SS**G310 helixtrans-55.7-23.5167.7-175.70000114D802 F806 T807D802-S804 PolarHBondContact O-N 3.27Å; D802-S804 VanDerWaalsContact O-N 3.09Å; S804-F806 PolarHBondContact O-N 3.24Å; S804-T807 PolarHBondContact O-OG1 3.19Å; S804-T807 VanDerWaalsContact O-OG1 3.04Å
805L64.1Low51.8Low122 Ų122137.1 Ų137.164%0.63973%0.73SS**G310 helixtrans-74.7-7.7174.2-66.7172.5000113.8D802 S803D802-L805 WeakPolarHBondContact O-CB 3.35Å; D802-L805 PolarHBondContact O-N 2.81Å; S803-L805 PolarHBondContact O-N 2.89Å
806F67.2Low50.3Low149 Ų149135 Ų13565%0.65474%0.735SS**SBendtrans-118.4-1.6-177.5-63.1-77.5000113.9L801 S803 S804 Y808L801-F806 HydrophobicContact CB-CE2 4.4Å; L801-F806 HydrophobicContact CD1-CE2 4.32Å; L801-F806 HydrophobicContact CD1-CZ 4.33Å; S803-F806 PolarHBondContact O-N 3.33Å; S804-F806 PolarHBondContact O-N 3.24Å; F806-Y808 PolarHBondContact O-N 2.97Å
807T55Low49.1Very low92 Ų92133.6 Ų133.656%0.56474%0.74SS**  trans-80.3114.5171.344.20000110.9S804 D809S804-T807 PolarHBondContact O-OG1 3.19Å; S804-T807 VanDerWaalsContact O-OG1 3.04Å; T807-D809 PolarHBondContact O-N 3.08Å
808Y41.8Very low47.3Very low230 Ų230130.4 Ų130.490%0.90274%0.735SS**  trans-77.1101.5169.7-96.1-99.3000110.3F806 A810F806-Y808 PolarHBondContact O-N 2.97Å; Y808-A810 PolarHBondContact O-N 3.32Å; Y808-A810 VanDerWaalsContact O-N 3.09Å
809D43.5Very low46.2Very low146 Ų146132.1 Ų132.178%0.78175%0.746SS**  trans-67103.9166.2-84.8-35.8000110.3T807 A811T807-D809 PolarHBondContact O-N 3.08Å; D809-A811 PolarHBondContact O-N 3.02Å
810A46.3Very low44.8Very low105 Ų105130.2 Ų130.287%0.86874%0.743SS**  trans-7657170.200000111.2Y808 S812Y808-A810 PolarHBondContact O-N 3.32Å; Y808-A810 VanDerWaalsContact O-N 3.09Å; A810-S812 PolarHBondContact O-N 3.23Å
811A33.7Very low43.7Very low90 Ų90127.5 Ų127.574%0.74474%0.741SS**  trans-79.1105.8-171.700000112.9D809D809-A811 PolarHBondContact O-N 3.02Å
812S36.3Very low42Very low113 Ų113127.4 Ų127.479%0.7975%0.746SS**  trans-73.1138.916352.90000111.5A810 A814A810-S812 PolarHBondContact O-N 3.23Å; S812-A814 PolarHBondContact O-N 2.78Å
813E28.6Very low41.4Very low162 Ų162127 Ų12776%0.75775%0.75SS**  trans-75.2119.1-175.7-171.4-170.1153.600113.1K815E813-K815 WeakPolarHBondContact OE1-CE 3.5Å; E813-K815 IonicContact OE1-NZ 3.81Å; E813-K815 PolarHBondContact OE1-NZ 3.4Å
814A35.2Very low40.1Very low97 Ų97130.4 Ų130.480%0.80276%0.757SS**  trans-141.7155.6164.100000110.5S812S812-A814 PolarHBondContact O-N 2.78Å
815K34.4Very low38.5Very low164 Ų164129.9 Ų129.971%0.71375%0.753SS**  trans-113.9134.4-162.1-77.2176.3173.799.30115.2E813E813-K815 WeakPolarHBondContact OE1-CE 3.5Å; E813-K815 IonicContact OE1-NZ 3.81Å; E813-K815 PolarHBondContact OE1-NZ 3.4Å
816S32.2Very low36.9Very low113 Ų113132.7 Ų132.779%0.7976%0.76SS**  trans70.616614979.40000118.9
817P38.7Very low35.3Very low123 Ų123133.2 Ų133.280%0.79976%0.762SS**  cis-123.9-180-18.422.60.4000113.7
818S27.7Very low34Very low95 Ų95136.5 Ų136.566%0.66477%0.771SS**  trans-89.7159.2176.4175.20000112.6
819P39Very low33.4Very low125 Ų125130.7 Ų130.781%0.81276%0.76SS**  -128.3171.6115.537.4-32.1000114
820K29.3Very low32.7Very low184 Ų184129.1 Ų129.180%0.876%0.755SS**  trans-106162.3170.6-53.5178.6179.7177.90109.3
821P34.8Very low32.1Very low128 Ų128133 Ų13383%0.83175%0.753SS**  -144.2171.587.636.9-20.2000116.1
822T25.8Very low32Very low128 Ų128133.6 Ų133.679%0.78575%0.751SS**  trans-124.3173.6171.643.50000108.7
823P41Very low31.8Very low109 Ų109135.9 Ų135.971%0.70875%0.754SS**  cis-132.2-152.1-4.536.9-15.2000112.8
824M25.3Very low31.9Very low173 Ų173136.3 Ų136.385%0.85275%0.753SS**  trans99149165-62.6-159.5-70.300117.2
825S29.1Very low31.8Very low80 Ų80139.1 Ų139.156%0.55975%0.749SS**  cis-175.3137.3-19.5162.70000112.8
826K29.9Very low31.6Very low181 Ų181141.9 Ų141.979%0.78776%0.755SS**  trans73144.5151.1-78.3170.1-168.4175.90122.4
827F34.2Very low31.4Very low160 Ų160140.2 Ų140.270%0.70275%0.749SS**  trans64.1130.4154.2-82.4-121.7000118.3
828E27.6Very low30.9Very low161 Ų161140.7 Ų140.775%0.75274%0.744SS**  cis95.1154.825.6-166.1169.9-137.500114.6
829V28.7Very low31Very low108 Ų108142.2 Ų142.266%0.65576%0.755SS**  trans88.277.4176.7-164.80000116.9
830T28.1Very low30.5Very low112 Ų112141.5 Ų141.569%0.68775%0.753SS**  23.5135.9126.3660000119.6
831K35.5Very low30.6Very low188 Ų188142.2 Ų142.282%0.81775%0.752SS**  -176.7145.687.7-98.2169.6-174.2174.30114.4
832S30.8Very low30.2Very low102 Ų102139.7 Ų139.771%0.71374%0.737SS**  trans23142.1145.661.40000120.9
833L32.9Very low30.8Very low161 Ų161139 Ų13984%0.84374%0.735SS**  -164.4170.259.2-172.656.4000113.4
834K30.6Very low30Very low170 Ų170143.5 Ų143.574%0.73974%0.739SS**  trans-61.5166.7165.9-58.7177.4-178.8174.70111.5
835Q32.6Very low30.2Very low156 Ų156142.1 Ų142.173%0.72974%0.735SS**  cis-151151.914.6-121138-72.300107.1
836R29.6Very low30.6Very low222 Ų222143.8 Ų143.884%0.83874%0.744SS**  44.6126.193-161.5171.4-164.2179.86.4113.4
837A29.2Very low30.5Very low79 Ų79140 Ų14065%0.65374%0.741SS**  cis-160.5179.41900000110.3
838D28.2Very low30.1Very low132 Ų132141.1 Ų141.171%0.70675%0.748SS**  cis-173167.2-32.1-77.7-28.5000106.7
839S28.9Very low31.2Very low128 Ų128138.5 Ų138.590%0.89575%0.745SS**  trans68.7159.1177.6-91.50000117.9
840S29.2Very low31.1Very low109 Ų109138.4 Ų138.476%0.76276%0.756SS**  cis145.7141.7-2.7-177.40000106
841Y29.8Very low31.2Very low200 Ų200136.2 Ų136.278%0.78476%0.756SS**  cis-171.5151-5.2156.4-103.6000110.6
842S27.1Very low31Very low74 Ų74136.6 Ų136.652%0.51776%0.76SS.*  trans67.4170.2165.9-101.30000120
843P38.1Very low31Very low113 Ų113136.2 Ų136.273%0.73476%0.758SS**  cis-129.6168.2-0.738.4-21000118.3
844Y25.6Very low30.8Very low204 Ų204138.3 Ų138.380%0.876%0.76SS**  trans12.2131.7153-79.5-104.6000124.4
845N28.5Very low30.9Very low144 Ų144133.9 Ų133.977%0.7776%0.755SS**  33.4157.5117.6-99.4-5000122.3
846P37.8Very low30.6Very low115 Ų115135.2 Ų135.275%0.74776%0.761SS**  cis-143.2-167.717.942.6-21000118.4
847S27.7Very low30.6Very low103 Ų103128.7 Ų128.772%0.7276%0.755SS**  trans-27.4148174.1-43.20000126.1
848E25.2Very low31.1Very low182 Ų182130.6 Ų130.685%0.8576%0.761SS**  trans64.3169.5135.8-86.8-158.1159.900122.6
849P50.4Low31.2Very low107 Ų107128.7 Ų128.770%0.69576%0.763SS**  cis-138.1-167.7-28.235.4-15.2000115.5
850A28Very low31.1Very low105 Ų105132.4 Ų132.487%0.86876%0.763SS**  trans78.3148.6159.500000119.7
851G28.9Very low31.3Very low67 Ų67131.4 Ų131.469%0.69176%0.761SS**  cis173.5-168.7-5.500000114
852Q31.9Very low31.8Very low195 Ų195127.4 Ų127.491%0.91176%0.76SS**  trans73.1148.9171.4-59.2-1764.600117.6
853S30.3Very low31.7Very low94 Ų94133 Ų13366%0.65778%0.775SS**  cis-171.6146.7-15.854.90000112.9
854K30.4Very low31.3Very low205 Ų205132.2 Ų132.289%0.89177%0.772SS**  trans55157.5156.7-71.3-173.8175.8-175.20118.9
855A32.4Very low31.3Very low77 Ų77129.2 Ų129.264%0.63678%0.775SS**  cis-173.5177.4-24.700000106.2
856E25.6Very low31.1Very low184 Ų184127.8 Ų127.886%0.8678%0.776SS**  cis-154.6-148.92-145.3155.2102.300109.3
857A30.2Very low30.9Very low85 Ų85127.9 Ų127.970%0.70278%0.775SS**  trans-134.5167.217500000111.9
858P40Very low31.3Very low120 Ų120128.9 Ų128.978%0.77978%0.779SS**  -149.8148.390.538.2-19.5000115.5
859A28.8Very low31.3Very low91 Ų91126.1 Ų126.175%0.75277%0.769SS**  65.6157.1100.800000117.1
860K28.3Very low30.2Very low207 Ų207130.1 Ų130.190%0.978%0.776SS**  cis-159.9161.917-144.3160.5-171.7173.90110.9
861A32Very low30.1Very low87 Ų87130 Ų13072%0.71977%0.765SS**  trans-87.7176.2177.400000113.4
862P39.9Very low30Very low117 Ų117132.4 Ų132.476%0.7677%0.766SS**  -161.6170.883.844-23.5000120.3
863K26.7Very low30Very low190 Ų190130.7 Ų130.783%0.82676%0.758SS**  trans55103.8138.2-76-179.4177.6-176.40124.8
864S27.7Very low29.8Very low98 Ų98130.8 Ų130.869%0.68576%0.759SS**  56.9143.9108.270.80000126.2
865V26.6Very low29.9Very low140 Ų140126.9 Ų126.985%0.84875%0.752SS**  trans96.7132.1150.8-161.20000120.5
866S24.6Very low29.7Very low114 Ų114133.9 Ų133.980%0.79776%0.762SS**  trans117.1153.9143.4-145.20000119.9
867V32.4Very low29.8Very low118 Ų118129.6 Ų129.672%0.71575%0.752SS**  trans-124.3153.7179.9-158.90000109
868P38Very low29.9Very low124 Ų124129 Ų12981%0.80575%0.748SS**  -145.6-169.7123.635.9-18000115
869N25.1Very low29.2Very low123 Ų123131.1 Ų131.166%0.65875%0.748SS**  trans-105.6176.3-159.5-58.4-41.6000116.2
870F27.2Very low29.2Very low192 Ų192134.5 Ų134.584%0.84275%0.748SS**  trans77.1150.3152.6-62.6-47.7000117.5
871T25.4Very low29.2Very low103 Ų103131.9 Ų131.963%0.63274%0.743SS**  cis-169.3153.4-1-113.20000114.1
872T26.5Very low28.9Very low116 Ų116131.9 Ų131.971%0.71274%0.738SS**  trans66.9162.2162.953.60000120.5
873Q32.7Very low28.4Very low160 Ų160132.3 Ų132.375%0.74874%0.738SS**  cis-157.9155.27.5-138.1172.973.700116.2
874S26.2Very low28.4Very low95 Ų95128.6 Ų128.666%0.66473%0.727SS**  trans60.5143.9139.1-86.90000122.8
875T31.1Very low28.7Very low124 Ų124132.1 Ų132.176%0.76173%0.73SS**  cis-142.6-170.3-7.957.80000107.7
876R29.2Very low28.7Very low224 Ų224132.8 Ų132.885%0.84572%0.724SS**  cis-159.8171-2.2-139.8-177.7166.7160.8-3.2105.1
877S27.3Very low29.1Very low93 Ų93133 Ų13365%0.6572%0.715SS**  cis-137.7175.57.2-65.40000108.2
878A31.4Very low28.9Very low74 Ų74134.3 Ų134.361%0.61271%0.714SS**  cis72.3116.836.900000114.8
879E27.2Very low28.4Very low164 Ų164135.3 Ų135.377%0.76671%0.708SS**  cis-148.1144.61.1-104.8166.788.800109.5
880Q28.6Very low28.8Very low162 Ų162136.9 Ų136.976%0.75771%0.709SS**  55.4142.991.6-69.8173.5-112.900115.2
881L27.3Very low29.1Very low151 Ų151134.7 Ų134.779%0.79171%0.705SS**  cis-136.3-156.216.6-150.667.7000108.1
882S26.6Very low29.3Very low88 Ų88133.8 Ų133.862%0.61571%0.708SS**  cis-166.7147.62.557.40000114.2
883T28.2Very low29.4Very low125 Ų125134.3 Ų134.377%0.76771%0.711SS**  trans26.6147.5138.159.60000123.4
884D27.9Very low29.2Very low112 Ų112132.8 Ų132.860%0.59971%0.712SS**  cis-178.5149.9-15.7-154.7-0.1000110.2
885K32.7Very low29.1Very low173 Ų173133.4 Ų133.475%0.75272%0.717SS**  trans54.1163.3152.4-76.9156.8-160.1148.70122.2
886H26.4Very low28.8Very low154 Ų154132.2 Ų132.271%0.71372%0.72SS**  cis-179.8149.4-20.6178.3-123.6000112.6
887L33.7Very low29Very low117 Ų117125.3 Ų125.361%0.61371%0.71SS**  trans60.8166.9168.4-76.3172.2000118.5
888E27.4Very low29.4Very low146 Ų146126.1 Ų126.168%0.68271%0.713SS**  cis-149.2170.810.6-156.9108.7-143.900113.2
889E28.7Very low29.2Very low146 Ų146130.4 Ų130.468%0.68272%0.72SS**  trans23.9156.6149.6-77.8-152131.400124.1
890K33.7Very low29.2Very low156 Ų156128.1 Ų128.168%0.67872%0.718SS**  cis-177.3171.9-27.9-145.6172.9164.6179.90111
891L33.3Very low29.2Very low146 Ų146126 Ų12676%0.76472%0.721SS**  trans57.8111.6155.4-65-171.5000122.5
892A29.3Very low29.2Very low84 Ų84123.2 Ų123.269%0.69471%0.714SS**  82.3127.3110.100000124.2
893V28.8Very low29.6Very low127 Ų127127.7 Ų127.777%0.7772%0.722SS**  77.4102.3127.5172.70000120.5
894T27.6Very low29.7Very low128 Ų128130.6 Ų130.679%0.78573%0.727SS**  61.3127.2127.1-48.80000121.3
895S24.9Very low29.8Very low108 Ų108129.3 Ų129.376%0.75573%0.732SS**  157.2147.5113.4-163.40000114.6
896A24.9Very low29.8Very low99 Ų99130.7 Ų130.782%0.81874%0.741SS**  trans56.2154.4151.600000121.8
897A32.9Very low29.9Very low78 Ų78126.8 Ų126.865%0.64574%0.742SS**  trans-114.5155.8174.200000111.4
898P36.3Very low29.8Very low110 Ų110127.5 Ų127.571%0.71476%0.757SS**  trans-103.9147.3141.6-2.623.7000109.5
899H28Very low30Very low165 Ų165130.6 Ų130.676%0.76476%0.763SS**  63.214059.3-42.4-25.4000113.5
900T27.1Very low30.6Very low116 Ų116129.8 Ų129.871%0.71277%0.77SS**  cis-175.4149.2-23.832.20000107.5
901S27.6Very low30.4Very low117 Ų117124.7 Ų124.782%0.81876%0.757SS**  trans66.8168.4162.294.10000115.1
902S27.8Very low30.2Very low93 Ų93123 Ų12365%0.6576%0.757SS**  cis-157179.6-2952.10000106.8
903K34.1Very low30.4Very low181 Ų181124.9 Ų124.979%0.78776%0.76SS**  cis-172.9174.135.7-149.5165.6-170.3171.80111.7
904Q30.6Very low30.5Very low187 Ų187124.8 Ų124.887%0.87476%0.76SS**  trans68.9157.8170.9-69.8-174.9-22.300115.3
905A29.3Very low30.9Very low85 Ų85123.4 Ų123.470%0.70276%0.756SS**  cis-167.6168-25.700000108
906Q32.6Very low31.3Very low201 Ų201126 Ų12694%0.93976%0.756SS**  cis-117.8-142.7-0.5-60176.37.100109.6
907G29.4Very low31.6Very low72 Ų72128.6 Ų128.674%0.74275%0.751SS**  trans-173.3161.716800000112.6
908S30.9Very low31.6Very low132 Ų132129.3 Ų129.392%0.92375%0.751SS**  trans-155.1169.5164.559.40000111.4
909R32.9Very low31.5Very low212 Ų212129.3 Ų129.380%0.875%0.754SS**  trans-103.3163.4-156.4-149.4-178.4165.3179.6-5.1112
910P41.3Very low31.7Very low128 Ų128125.4 Ų125.483%0.83175%0.745SS**  -139.2168.894.836-22.1000114.9
911A29.2Very low32Very low49 Ų49129.5 Ų129.541%0.40575%0.753SS.*  trans-102.7153.1173.300000109.5
912S29.6Very low32.3Very low110 Ų110127.8 Ų127.877%0.76974%0.741SS**  53136.772.3-19.80000112.7
913T32.8Very low32.6Very low124 Ų124130.2 Ų130.276%0.76175%0.747SS**  cis-140.8179.41948.80000110.8
914T31.6Very low32.7Very low126 Ų126127.5 Ų127.577%0.77375%0.746SS**  155.614685.1-980000106.2
915S35.2Very low33.4Very low98 Ų98126.6 Ų126.669%0.68575%0.745SS**  cis-161.9-155.3-22.4-163.10000104.6
916Q33.1Very low33.6Very low163 Ų163127 Ų12776%0.76275%0.749SS**  cis-148.4164.911.4-72.6-175.7-103.400111.6
917H31.9Very low33.7Very low154 Ų154123.2 Ų123.271%0.71374%0.744SS**  trans-4.6157.7145.1-55.4-72.5000121.9
918S32.9Very low33.9Very low93 Ų93123.6 Ų123.665%0.6574%0.74SS**  cis-175.6147.7-20-95.70000109.6
919S33.3Very low34.2Very low109 Ų109127.1 Ų127.176%0.76274%0.739SS**  trans12.9150143.872.20000121.1
920S33Very low34.2Very low83 Ų83122 Ų12258%0.5874%0.736SS**  cis-175.8157.530.457.80000113.5
921F33.4Very low34.1Very low202 Ų202122.5 Ų122.589%0.88674%0.739SS**  trans58.6160.2155.1-57.3-52.9000117.9
922S33.4Very low34.6Very low82 Ų82124.3 Ų124.357%0.57375%0.754SS**  cis-156.3169.8-25.252.50000107.9
923D34.5Very low35.1Very low144 Ų144124.4 Ų124.477%0.7776%0.755SS**  trans65.8159.1161.2-50.8-52.9000117.2
924T34.7Very low35.5Very low124 Ų124126.7 Ų126.776%0.76176%0.761SS**  cis-146165.7-14.3-126.20000110.6
925I45.3Very low36.2Very low168 Ų168129.1 Ų129.186%0.86277%0.768SS**  trans-69.4131.1-179.1-60.4159.8000111.7
926A35.2Very low36.7Very low94 Ų94128.7 Ų128.778%0.77777%0.77SS**  trans-154.1147.7164.400000114.7
927S32.9Very low37.2Very low120 Ų120132.7 Ų132.784%0.83978%0.778SS**  trans-45.7162.5160.4-81.50000115.2
928A33.8Very low37.6Very low80 Ų80129.5 Ų129.566%0.66179%0.787SS**  cis-162.5171.9-0.400000112.9
929F38.2Very low38Very low207 Ų207131.1 Ų131.191%0.90879%0.793SS**  trans-20.2130.7157-58.7-97.9000117.9
930S32Very low38.4Very low105 Ų105136.7 Ų136.773%0.73480%0.797SS**  trans-156.6128.1139.3-1690000111.4A932S930-A932 PolarHBondContact O-N 2.74Å
931P40.6Very low38.8Very low138 Ų138141.4 Ų141.490%0.89681%0.81SS**  trans-93.674.2-165.236.6-36.8000114.3
932A40.1Very low39.3Very low87 Ų87139.1 Ų139.172%0.71980%0.804SS**  trans-125.37.7-171.700000117.4S930S930-A932 PolarHBondContact O-N 2.74Å
933S38.9Very low40.1Very low111 Ų111139.3 Ų139.378%0.77681%0.81SS**SBendtrans-127.510.6-162.4-50.40000118.2
934L41.5Very low40.8Very low172 Ų172138.4 Ų138.490%0.90181%0.812SS**  trans-114.611.4-169.5-82174000118
935I46.4Very low41.2Very low178 Ų178143.2 Ų143.291%0.91382%0.817SS**SBendtrans-107.250.5174.2-42.6-175.6000111.7
936A44.8Very low41.1Very low88 Ų88140.3 Ų140.373%0.72781%0.809SS**SBendtrans-148.327.6-177.300000116.1
937R45.1Very low41.8Very low247 Ų247145.5 Ų145.593%0.93281%0.813SS**  trans-143.632.3177.9-107.2159-159.4157.56.7116V939R937-V939 PolarHBondContact O-N 2.87Å
938G40.3Very low42.2Very low87 Ų87149.3 Ų149.390%0.89782%0.815SS**  trans-71.718.1-179.700000117.4R940G938-R940 PolarHBondContact O-N 3.5Å
939V40.3Very low42.6Very low127 Ų127150.6 Ų150.677%0.7782%0.819SS**  trans-92.297.2-178.1-176.90000110.4R937 Q941R937-V939 PolarHBondContact O-N 2.87Å; V939-Q941 PolarHBondContact O-N 3.18Å
940R43Very low42.6Very low227 Ų227145.3 Ų145.386%0.85781%0.814SS**  trans-65.1105.4169-81.2-173.9171.3-124.3-0.5110.3G938 M942G938-R940 PolarHBondContact O-N 3.5Å; R940-M942 PolarHBondContact O-N 2.77Å
941Q41.3Very low43Very low181 Ų181149.7 Ų149.785%0.84682%0.82SS**  trans-51.7108.6164.6-75.7-81.12.700109.6V939 A943V939-Q941 PolarHBondContact O-N 3.18Å; Q941-A943 PolarHBondContact O-N 3.09Å
942M43.8Very low43.1Very low155 Ų155152.7 Ų152.776%0.76482%0.819SS**PPolyproline II helixtrans-72.1120171.6-78-82.5102.800108.8R940R940-M942 PolarHBondContact O-N 2.77Å
943A48.8Very low43.2Very low85 Ų85154.4 Ų154.470%0.70282%0.822SS**PPolyproline II helixtrans-54.4136.4179.800000111.5Q941 R945Q941-A943 PolarHBondContact O-N 3.09Å; A943-R945 PolarHBondContact O-N 3.34Å
944P49.7Very low43.1Very low126 Ų126154.4 Ų154.482%0.81883%0.829SS**PPolyproline II helixtrans-56.9122.7-177.5-27.235.3000112.6
945R43.8Very low43Very low225 Ų225150.7 Ų150.785%0.84982%0.824SS**PPolyproline II helixtrans-63.3126.7177.7-62.3178.571-178.33.5109.7A943 K947A943-R945 PolarHBondContact O-N 3.34Å; R945-K947 PolarHBondContact O-N 3.45Å; R945-K947 VanDerWaalsContact O-N 3.16Å
946P43.8Very low42.8Very low107 Ų107149 Ų14970%0.69582%0.821SS**PPolyproline II helixtrans-64.3117.1-178.524.2-33.2000111.1F948P946-F948 HydrophobicContact CB-CE2 4.4Å; P946-F948 PolarHBondContact O-N 3.47Å
947K49.3Very low42.6Very low202 Ų202148.4 Ų148.488%0.87883%0.825SS**  trans-85.190-179.8-67.8179.9-178.9174.70110.5R945 S949R945-K947 PolarHBondContact O-N 3.45Å; R945-K947 VanDerWaalsContact O-N 3.16Å; K947-S949 PolarHBondContact O-N 2.87Å
948F41.5Very low42.3Very low200 Ų200146 Ų14688%0.87782%0.82SS**  trans-68.495.7171.2-84-85.7000111.4P946P946-F948 HydrophobicContact CB-CE2 4.4Å; P946-F948 PolarHBondContact O-N 3.47Å
949S41.2Very low42.2Very low107 Ų107150 Ų15075%0.74882%0.816SS**  trans-88.799.6172.7174.90000110.6K947 K951K947-S949 PolarHBondContact O-N 2.87Å; S949-K951 PolarHBondContact O-N 2.7Å
950A38.5Very low41.7Very low96 Ų96155.3 Ų155.379%0.79382%0.822SS**  trans-71.895175.300000111.5K952A950-K952 PolarHBondContact O-N 2.78Å
951K41.4Very low41.4Very low197 Ų197152.4 Ų152.486%0.85782%0.816SS**  trans-62.9114.4167-79.9-174.3174.5-179.30109.1S949 P953S949-K951 PolarHBondContact O-N 2.7Å; K951-P953 VanDerWaalsContact O-CD 3.29Å; K951-P953 WeakPolarHBondContact O-CD 3.47Å
952K41.7Very low41.5Very low202 Ų202149.8 Ų149.888%0.87882%0.815SS**  trans-71.9120.6168.5-74.2179176.51790109.9A950A950-K952 PolarHBondContact O-N 2.78Å
953P42.8Very low41Very low122 Ų122149.1 Ų149.179%0.79282%0.819SS**  trans-74126.3153.231.1-30.3000108.4K951K951-P953 VanDerWaalsContact O-CD 3.29Å; K951-P953 WeakPolarHBondContact O-CD 3.47Å
954A35.5Very low40.6Very low111 Ų111149.2 Ų149.292%0.91782%0.82SS**  trans-85.6111.7170.900000109.1
955A41Very low39.9Very low95 Ų95151.9 Ų151.979%0.78582%0.824SS**  trans-133.3124.2171.900000109.1
956T42.2Very low39.5Very low141 Ų141148.4 Ų148.487%0.86582%0.821SS**  trans-73.1129.3-177.349.80000111.2
957G40.1Very low39.4Very low77 Ų77148.2 Ų148.279%0.79482%0.823SS**  trans-70.7159.2179.300000113.8
958K38.2Very low38.8Very low195 Ų195144 Ų14485%0.84882%0.818SS**  trans-129.8132159.9-74-161.2173.3-169.30110.5
959Q37.8Very low38.8Very low173 Ų173143.1 Ų143.181%0.80885%0.848SS**  trans-90.7142176.4179.2-176.88.700109.1
960W29.3Very low38.7Very low237 Ų237144.9 Ų144.990%0.89885%0.853SS**  trans-128.5139.6167.6-85.487.4000110.3
961K37.7Very low38.7Very low166 Ų166147.5 Ų147.572%0.72286%0.856SS**  trans-97.8153.5178.2-67.9-177.4177.7-178.60110.3
962P43Very low38.6Very low127 Ų127144.7 Ų144.783%0.82586%0.856SS**  trans-78.6138.2165.133.2-32.6000110.9
963V33.2Very low38.4Very low140 Ų140141.4 Ų141.485%0.84886%0.855SS**  trans-142.8144.1160.9178.70000106.7
964A41.6Very low38.1Very low87 Ų87142.6 Ų142.672%0.71986%0.858SS**  trans-124.3151.9170.200000108.8
965M34.3Very low38.3Very low182 Ų182144.7 Ų144.790%0.89786%0.855SS**  trans-172169.7139.1-103.2-47.7-173.800112.4
966L35.3Very low38.1Very low152 Ų152148.2 Ų148.280%0.79686%0.859SS**  trans-82.6161.3-171.4-74.9126.6000115.4
967S40.8Very low37.8Very low104 Ų104148.8 Ų148.873%0.72786%0.859SS**  trans52.8121.8136.5-159.90000120.9
968S36.8Very low37.6Very low113 Ų113154.8 Ų154.879%0.7986%0.864SS**  168.8126.194-830000113
969A43.1Very low37.5Very low181 Ų181151.1 Ų151.1100%1.49687%0.866SS**  trans-161.20152.400000107.8

Retrieved 969 of 969 residues in 295.3 ms (Link to these results)