A0A096N9I7_PAPAN Loading...

Synphilin-1

AlphaFold DB , UniProt , Accession A0A096N9I7, Species PAPAN (Papio anubis, Olive baboon), Gene SNCAIP, Length 1,017 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
1M28.7Very low35.9Very low239 Ų239155.6 Ų155.6100%1.17780%0.797SS**  0144.60-147.2160.5-172.800106.5
2E32.8Very low35.4Very low191 Ų191156.8 Ų156.889%0.89380%0.803SS**  trans-73.3174-168.8-69.3125.212200115
3A49.6Very low34.9Very low77 Ų77155.5 Ų155.564%0.63680%0.798SS**  trans-75.9-173.4175.700000112.1E5A3-E5 HydrophobicContact CB-CG 4.24Å
4P57.8Low34.5Very low119 Ų119156.9 Ų156.977%0.77380%0.796SS**  -119.7152.571.24.718.2000112.2
5E41.8Very low34Very low145 Ų145152.4 Ų152.468%0.67879%0.785SS**  cis89.9150.440.7-72-163.5146.600115.9A3A3-E5 HydrophobicContact CB-CG 4.24Å
6Y31.5Very low33.6Very low185 Ų185151.7 Ų151.773%0.72578%0.783SS**  trans84.3107-179.6-66.3-89.7000116.2
7L34.1Very low33.3Very low121 Ų121152.1 Ų152.163%0.63479%0.787SS**  cis71.1134.844.2-52.3167.8000111.6
8D30.2Very low32.9Very low126 Ų126151.6 Ų151.667%0.67478%0.784SS**  cis-152.2166.82.5-96.1-35.6000110
9L29.5Very low32.5Very low170 Ų170148.7 Ų148.789%0.8978%0.778SS**  173.1152.1120.6-92168.7000113.7
10D30Very low32.2Very low148 Ų148147.4 Ų147.479%0.79177%0.772SS**  trans-91.3-170.6-172.8-73.4-69.4000115
11E28.9Very low32Very low191 Ų191147 Ų14789%0.89377%0.77SS**  trans81.7107.9167.9-59.7-165.5130.200118
12I30.4Very low31.9Very low169 Ų169147.4 Ų147.487%0.86776%0.759SS**  trans-130.3119155.7-62174.9000106.3
13D27.9Very low31.6Very low140 Ų140143 Ų14375%0.74975%0.749SS**  trans-152.5148.1156.3-140.316000113.6
14F29.2Very low30.7Very low175 Ų175147.8 Ų147.877%0.76876%0.759SS**  trans5.3121.2176.1-73.7-76.5000123.3
15S27.1Very low29.3Very low90 Ų90145.8 Ų145.863%0.62976%0.76SS**  127.7143.8100-107.20000120.8
16D28.2Very low28.6Very low141 Ų141145.4 Ų145.475%0.75476%0.762SS**  trans75.693.6140.6-619.6000122.4
17D27.9Very low28.4Very low159 Ų159146.8 Ų146.885%0.8577%0.766SS**  86.2170.9119.2-129-20000121.5
18I26.5Very low28.2Very low143 Ų143146.8 Ų146.873%0.73377%0.766SS**  trans87.781171.4-47.5-173.9000118.6
19S26.3Very low28.1Very low96 Ų96148.9 Ų148.967%0.67177%0.772SS**  71.1160.4119.692.20000125.6
20D26.5Very low28.1Very low123 Ų123148.7 Ų148.766%0.65876%0.764SS**  trans83.391.4153.7-74.8-67.3000124
21N26.3Very low27.9Very low138 Ų138149.1 Ų149.174%0.73877%0.765SS**  51.598.6112.2-75.6-55.9000120.1
22R26.9Very low27.8Very low248 Ų248142.7 Ų142.794%0.93675%0.751SS**  trans-174.1147.7137.1-101.5154.2-163.3-143.46.3109.5
23S27.2Very low27.6Very low98 Ų98142 Ų14269%0.68575%0.748SS**  cis-159.9162.4-7.9-1540000111.1
24Q30.3Very low27.5Very low179 Ų179143.4 Ų143.484%0.83675%0.75SS**  trans52.592.2163.1-55-158.2-3.700118.9
25G28.1Very low27.3Very low77 Ų77142 Ų14279%0.79475%0.75SS**  trans-89.1155147.100000111.4
26N27.6Very low27.4Very low136 Ų136143.3 Ų143.373%0.72776%0.755SS**  trans-142.7125.7168.3-119.9-39000110.7
27R28.5Very low27.2Very low214 Ų214143.1 Ų143.181%0.80875%0.754SS**  trans33.8134.4132.1-73.6-175.6159.8-158.9-6119.2
28L28.9Very low27.2Very low122 Ų122144.8 Ų144.864%0.63975%0.748SS**  cis-154.8152.19.8-91.8146.6000107.5
29Q27.2Very low27.2Very low169 Ų169144.9 Ų144.979%0.7975%0.745SS**  39.1144.289.2-70.4-1707.700116.7
30K29.5Very low27.2Very low166 Ų166147.4 Ų147.472%0.72275%0.751SS**  cis-178.6160-14.5-168.8-165.4176.1-1690107.3
31L26.9Very low27.4Very low157 Ų157145.8 Ų145.882%0.82276%0.755SS**  trans72.7155.8169-48.1175.4000115.5
32G26Very low27.5Very low57 Ų57147.2 Ų147.259%0.58876%0.762SS**  cis166171.6-7.500000113.3
33L26.5Very low27.6Very low155 Ų155138.8 Ų138.881%0.81275%0.752SS**  trans66.3141.4-174.4-64.797.9000115.4
34E26.6Very low27.7Very low169 Ų169143.7 Ų143.779%0.7976%0.762SS**  cis120.516710.7-78.4174.612700112.5
35D24.7Very low27.5Very low144 Ų144138.7 Ų138.777%0.7776%0.758SS**  trans73.696.1-171.8-54.9-12.6000114.9
36T28.3Very low27.5Very low119 Ų119144.8 Ų144.873%0.7376%0.763SS**  cis79.7106.34775.60000116.2
37D25.4Very low27.6Very low136 Ų136147.2 Ų147.273%0.72777%0.769SS**  trans172.5147.6144.6-102.1-17.2000108.6
38R27.5Very low27.6Very low194 Ų194148.7 Ų148.773%0.73278%0.775SS**  cis-170.7168.7-14.4-150.1-178.2168.195.22.7112.1
39E26.2Very low27.6Very low145 Ų145147.8 Ų147.868%0.67879%0.785SS**  trans85143.2157.7-61.4-61.412800120.2
40D27.2Very low27.9Very low149 Ų149146.9 Ų146.980%0.79778%0.778SS**  trans-96.7169.6-173.9-60.4-90.4000113.4
41A29.6Very low28.1Very low90 Ų90146.8 Ų146.874%0.74479%0.785SS**  -178.6113.4123.100000114.5
42L29.4Very low28.2Very low167 Ų167145.2 Ų145.287%0.87478%0.782SS**  trans34.8115.5130.1-58.1171.9000119.9
43G27.4Very low28.9Very low71 Ų71148.4 Ų148.473%0.73279%0.79SS**  trans-96.1156.315800000113.1
44F29.4Very low29.3Very low202 Ų202147.4 Ų147.489%0.88679%0.79SS**  trans-146.7135.5162.4-107.4-80.9000110.1
45G26.9Very low29.7Very low73 Ų73143.9 Ų143.975%0.75379%0.789SS**  trans-84.6152.1-178.800000113.5
46F27.5Very low30Very low206 Ų206141.7 Ų141.790%0.90479%0.791SS**  trans-122.9114.5174.4-102.3-88.4000112
47H30.8Very low30.2Very low186 Ų186142.7 Ų142.786%0.86179%0.792SS**  trans-84.2161.9158.2-118.3-26000109.7
48R28.6Very low30.4Very low246 Ų246140.3 Ų140.393%0.92880%0.799SS**  trans80.683.5163.3-163.7-171.8-172.9167.93.8117.7
49A29Very low30.6Very low102 Ų102135.9 Ų135.984%0.84380%0.804SS**  trans-141.9117.8146.500000111.1
50K32.8Very low30.6Very low151 Ų151134.8 Ų134.866%0.65781%0.811SS**  trans-131.5153.6152.8-85.9-151.7173.4-157.60107
51L32.8Very low30.6Very low164 Ų164136 Ų13686%0.85981%0.811SS**  trans63.478.1-167.1-74.674.2000114.4
52T29.8Very low30.4Very low124 Ų124137.4 Ų137.476%0.76181%0.814SS**  trans-153.794130.3-65.30000107.7
53V41.5Very low30.7Very low124 Ų124135.1 Ų135.175%0.75281%0.809SS**  trans-69.9147.5160.5178.80000107.1
54V35Very low30.7Very low133 Ų133140.8 Ų140.881%0.80682%0.817SS**SBendtrans74.670.1-169.5-163.80000114.4
55A34.6Very low30.6Very low95 Ų95137.9 Ų137.979%0.78581%0.811SS**  trans179.358140.200000113.7
56A29.5Very low30.6Very low98 Ų98143.5 Ų143.581%0.8182%0.817SS**  trans-144.642.3-176.900000115.6
57L34.3Very low30.6Very low141 Ų141143.3 Ų143.374%0.73881%0.812SS**  trans-129.9101167-76.8175000109.4
58G29.2Very low30.4Very low85 Ų85140.3 Ų140.388%0.87681%0.812SS**  trans172.236.6-174.300000117.7
59A31.6Very low30.3Very low101 Ų101134.6 Ų134.684%0.83580%0.804SS**  trans-149.541.6176.900000114.7
60C26.1Very low30.3Very low123 Ų123136.3 Ų136.383%0.83180%0.804SS**  trans-127117.5166.2-59.80000109.7
61H27.4Very low30.1Very low174 Ų174134.8 Ų134.881%0.80681%0.813SS**  trans-134.3111.3169.6-106.636.4000108.5
62C25.5Very low30.1Very low119 Ų119134.4 Ų134.480%0.80481%0.811SS**PPolyproline II helixtrans-78.6128.6163.7-58.80000107.8
63P35Very low30.3Very low119 Ų119137.4 Ų137.477%0.77381%0.813SS**PPolyproline II helixtrans-79.9122.2168.830.9-30.6000109.8
64E27.7Very low29.6Very low191 Ų191137.6 Ų137.689%0.89382%0.815SS**PPolyproline II helixtrans-77.7143.4163.5-67.3177.413400109.2
65N27.3Very low29.5Very low140 Ų140138.8 Ų138.875%0.74982%0.815SS**  trans-111.8101.8-173.8-122.320.5000109.6
66E26.9Very low30.1Very low191 Ų191139.2 Ų139.289%0.89381%0.81SS**  trans-107.4123.7164-72.3-162.913600109.9
67Y28.2Very low30Very low202 Ų202143.7 Ų143.779%0.79281%0.814SS**  trans-129118.2172.1-88.9-78.7000110.4
68S25.2Very low29.8Very low123 Ų123144 Ų14486%0.8682%0.816SS**  trans-106.1151.2167.356.40000110.9
69V27.2Very low29.8Very low127 Ų127145 Ų14577%0.7781%0.808SS**  trans-109.4170.1-158.5-179.40000112.9
70T28.7Very low29.7Very low137 Ų137149.9 Ų149.984%0.8481%0.805SS**  trans93.6147.9169.678.60000116
71S28.5Very low29.6Very low119 Ų119154.3 Ų154.383%0.83280%0.804SS**  cis-139.7-147.96760000114.3
72L34Very low29.6Very low156 Ų156150.9 Ų150.982%0.81780%0.799SS**  trans-127.3165.2-150.6-84.5162.2000116.7
73K32.3Very low29.7Very low187 Ų187151.5 Ų151.581%0.81379%0.794SS**  trans77.2153.7165.5-67170.4178.1175.20116.2
74T28.5Very low29.2Very low128 Ų128151.3 Ų151.379%0.78579%0.79SS**  cis-148.3163.817.5-25.90000112.6
75I30.9Very low29.2Very low158 Ų158151.6 Ų151.681%0.8179%0.792SS**  trans-155.2174.5179.653.4166.6000109.4
76P48.6Very low29.1Very low105 Ų105151.5 Ų151.568%0.68279%0.791SS**  cis-128-170.1-9.843.3-28.5000113.6
77E26.8Very low29.1Very low192 Ų192149.6 Ų149.690%0.89778%0.783SS**  trans-153.3177.9137.6-124.5-178.6-162.900114.3
78L29.3Very low28.9Very low148 Ų148147 Ų14778%0.77578%0.783SS**  trans-144.6179.6-150.8-75.4169.6000115.5
79C29.6Very low28.9Very low105 Ų105151.5 Ų151.571%0.70978%0.78SS**  trans85.1150.7163.2-70.10000117.5
80R29.3Very low28.8Very low203 Ų203149.9 Ų149.977%0.76678%0.775SS**  cis-163.5156.66.1-123.3162.5-161.2171.45.4111.4
81R25.3Very low28.7Very low216 Ų216149.6 Ų149.682%0.81577%0.773SS**  trans34.1152.3138.1-69.8-178178.8176.3-3.1120.3
82C27.5Very low28.8Very low103 Ų103149 Ų14970%0.69677%0.768SS**  cis-173.8-173.21.6-1090000106.7
83D26.1Very low28.4Very low132 Ų132146.7 Ų146.771%0.70677%0.765SS**  cis-145.1-116.66.2-151.9-91.2000113.5
84T25Very low28.3Very low114 Ų114143.2 Ų143.270%0.69976%0.764SS**  trans-139.2154.4-172.452.60000112.9
85Q27.2Very low28.2Very low197 Ų197141.6 Ų141.692%0.92176%0.759SS**  -179.6-170.5126.1-100-170.8-1100113.9
86N26.3Very low27.8Very low138 Ų138145.1 Ų145.174%0.73876%0.762SS**  trans-138.2179.3-144.6-156.249.2000114.1
87E26.5Very low26.6Very low152 Ų152146.3 Ų146.371%0.7176%0.763SS**  trans75.198.6164.5-59.2-75.5117.300120.4
88D23.8Very low26.5Very low148 Ų148143.5 Ų143.579%0.79176%0.762SS**  58.7155.7111.8-122.6-47000126
89R26.2Very low26.2Very low216 Ų216139.8 Ų139.882%0.81576%0.76SS**  trans91.372.4146.4-144.9170.6-160.4154.67.6124
90S25.5Very low26Very low93 Ų93142.5 Ų142.565%0.6577%0.766SS**  41158113.472.20000124.9
91V25.8Very low25.7Very low132 Ų132137.5 Ų137.580%0.876%0.762SS**  trans97.1142.3158.4179.50000116.3
92S29.5Very low26.1Very low105 Ų105132.5 Ų132.573%0.73476%0.756SS**  cis179165.1-31-80.90000108.5
93S26.3Very low26.2Very low108 Ų108134.7 Ų134.776%0.75576%0.76SS**  trans-165.5143.9138.657.20000114.7
94S30.8Very low26.3Very low114 Ų114135.3 Ų135.380%0.79776%0.762SS**  trans57147.7147.5-590000122.3
95S25.4Very low26.3Very low95 Ų95135.4 Ų135.466%0.66476%0.762SS**  cis-172134.3-16.350.20000113.8
96W23.3Very low26.2Very low231 Ų231132.8 Ų132.888%0.87575%0.754SS**  trans64.2118.9140.8-7359.9000123.8
97N24.1Very low26.2Very low131 Ų131131.2 Ų131.270%0.70175%0.75SS**  trans78112.3131.3-76.212.1000125.8
98C23.3Very low26.2Very low132 Ų132132.6 Ų132.689%0.89276%0.756SS**  82.6122.6119.4-156.30000121.1
99G23.5Very low26.4Very low71 Ų71135.1 Ų135.173%0.73276%0.76SS**  trans170.287170.900000116.6
100I24.6Very low27.5Very low162 Ų162130.1 Ų130.183%0.83176%0.756SS**  trans-3117.1158-63.7167.8000116.7
101S24.7Very low27.7Very low97 Ų97132.5 Ų132.568%0.67877%0.767SS**  73.8147.481.8-125.70000115.1
102T32.3Very low27.9Very low111 Ų111129.3 Ų129.368%0.68176%0.761SS**  cis-146.2134.218.345.10000114.8
103L29.3Very low28.1Very low150 Ų150132.9 Ų132.979%0.78577%0.769SS**  60.2164.2120.5-51.7172.9000120
104I29.2Very low28.5Very low145 Ų145131.1 Ų131.174%0.74476%0.761SS**  cis-146.513632.1-72.3173.2000112.6
105T25.6Very low28.6Very low115 Ų115132.8 Ų132.871%0.70676%0.762SS**  trans22.2141159.362.90000121.6
106N24.2Very low29.2Very low142 Ų142134.1 Ų134.176%0.75977%0.765SS**  cis57.996.212-168.622.3000118.2
107T26.5Very low29.9Very low105 Ų105131.4 Ų131.464%0.64476%0.756SS**  -177.9133.3122.531.60000115.8
108Q27.3Very low30.4Very low182 Ų182128.8 Ų128.885%0.8575%0.748SS**  trans61.6148.2134.7-69.4157.1-25.300125.6
109K28Very low30.8Very low200 Ų200131.4 Ų131.487%0.8774%0.744SS**  trans-79.8-176.8178.1-53.4180180179.50111
110P48.8Very low31.3Very low111 Ų111134.8 Ų134.872%0.72174%0.739SS**  cis-147.2-160.516.842.4-18.6000117.6
111T29.6Very low31.9Very low144 Ų144137 Ų13788%0.88374%0.737SS**  trans76128.8176.268.90000116.8
112G29.9Very low32.6Very low65 Ų65138.1 Ų138.167%0.6774%0.742SS**  cis164.6156.6-12.100000113.8
113I34.4Very low32.7Very low179 Ų179139.5 Ų139.592%0.91875%0.75SS**  trans66.2132.1161-52.2171.5000116.4
114A34Very low32.7Very low71 Ų71141.6 Ų141.659%0.58775%0.753SS**  cis-168.9155-21.400000109.3
115D32.7Very low33.3Very low150 Ų150146.2 Ų146.280%0.80276%0.761SS**  trans51.8159.2138.5-57.5-17.1000121.4
116V37.8Very low33.4Very low122 Ų122147.5 Ų147.574%0.73977%0.768SS**  cis-163.1158.1-3.7109.30000106.5
117Y37.6Very low33.8Very low175 Ų175146.2 Ų146.269%0.68677%0.77SS**  cis-157.4155.2-24.6-123.9-139000104.3
118S34.5Very low35.2Very low76 Ų76146.8 Ų146.853%0.53178%0.776SS.*  cis84.693.425.4-160.20000116.2
119K32.9Very low35.1Very low187 Ų187146.5 Ų146.581%0.81378%0.779SS**  trans-160108.8154.6-96.5146.3-171.4-178.90109.5
120F34.1Very low35.1Very low142 Ų142145.5 Ų145.562%0.62378%0.775SS**  74.9132.367.5-71.1-61.6000112.9
121R36.5Very low34.1Very low207 Ų207149.4 Ų149.478%0.78178%0.783SS**  cis-171.1161.2-21.4-121.2-172-156.3-161.54.5107.7
122P40.4Very low34.1Very low122 Ų122150.6 Ų150.679%0.79278%0.779SS**  trans-80.8150.9177.733.5-33.3000112.8
123V32.8Very low34.4Very low139 Ų139152.7 Ų152.784%0.84278%0.78SS**  trans-135.9140.3179.5-178.30000112.2
124K29.6Very low33.9Very low195 Ų195152.1 Ų152.185%0.84877%0.774SS**  trans-80.6130.3-175.8-172.2176.8-176.3177.60111.2
125R42.2Very low33.4Very low242 Ų242154 Ų15491%0.91378%0.778SS**  trans-85.7151.9175.6-70.3-176.6179.5139.2-0.4112.3
126V28.6Very low33.3Very low141 Ų141153.7 Ų153.786%0.85578%0.776SS**  trans-147.2161.4168.2-96.40000108.8
127S30.7Very low32.7Very low115 Ų115157.3 Ų157.380%0.80479%0.785SS**  trans-165.8170.5-170.9-70.30000109.9
128P56.5Low32Very low118 Ų118155.4 Ų155.477%0.76679%0.786SS**  cis-128.9178.7-36.637.1-22.9000111.5
129L26Very low31.6Very low175 Ų175157.3 Ų157.392%0.91679%0.791SS**  trans-159.9165.3154.2-112.5157.4000112.8
130K26.7Very low31.4Very low179 Ų179155.6 Ų155.678%0.77879%0.785SS**  trans-86.5156.8-162.7-57174.1178.5179.20113.5
131H28.9Very low31.1Very low193 Ų193153.3 Ų153.389%0.89479%0.787SS**  -169.2144.9114.5-99.2-65.7000113.7
132Q28.7Very low30.7Very low170 Ų170150.4 Ų150.479%0.79479%0.787SS**  trans-111.1158.4153.2-130.6179.73.300105.8
133P37Very low30.1Very low108 Ų108150.1 Ų150.170%0.70178%0.779SS**  -153.8172.474.443.4-23.8000117.4
134E23.6Very low29.9Very low167 Ų167151 Ų15178%0.7877%0.774SS**  21.1150.1129.6-57177.8163.100120.8
135T24.5Very low29.9Very low111 Ų111150.3 Ų150.368%0.68177%0.771SS**  cis-167.5166.74.413.40000111.5
136L29.2Very low29.1Very low143 Ų143146.2 Ų146.275%0.74977%0.767SS**  trans39.7128.5145.6-69162.1000121.8
137E25.3Very low29.1Very low199 Ų199147.1 Ų147.193%0.9376%0.762SS**  -143.9169.1115-81.3-143127.800109.2
138N23.9Very low28.9Very low135 Ų135150 Ų15072%0.72276%0.76SS**  trans-150.7169.6-164.6-144.911.7000111
139N26.3Very low27.5Very low116 Ų116149.1 Ų149.162%0.6275%0.752SS**  trans71.6152.3166.2-63.926.4000116.1
140E27.8Very low27.5Very low150 Ų150147 Ų14770%0.70175%0.746SS**  cis-162.5158.4-4.5-12217690.200111.7
141S27.6Very low27.6Very low95 Ų95144.2 Ų144.266%0.66474%0.736SS**  trans60.5147138.8-59.10000120.7
142D27.8Very low27.5Very low146 Ų146143.9 Ų143.978%0.78173%0.728SS**  cis-161.3-168.4-9.5-149.1-29.5000110
143D27.4Very low27.5Very low115 Ų115143.2 Ų143.262%0.61573%0.725SS**  trans90.294.3149.1-90.4-28.4000122.8
144Q29.9Very low26.9Very low158 Ų158146.6 Ų146.674%0.73873%0.729SS**  43.7111.6117.9-60.5-177.458.900121.5
145K28.9Very low26.9Very low181 Ų181142.5 Ų142.579%0.78773%0.731SS**  168.6127.5109.4-95.7167.2-176.5164.60115.4
146N26.2Very low27Very low155 Ų155140.5 Ų140.583%0.82973%0.733SS**  163163.2127.8-88.6-23.8000110.7
147Q27.9Very low26.8Very low161 Ų161143 Ų14375%0.75274%0.741SS**  cis-166.3138.4-43.8-177.362.96.900106.9
148K27.8Very low26.9Very low174 Ų174138.2 Ų138.276%0.75773%0.729SS**  trans-60.1161.1172.4-141.4176.7179.5-176.80110.2
149V26.5Very low26.9Very low101 Ų101139.1 Ų139.161%0.61273%0.734SS**  cis-16517239.1-165.40000110.1
150V26.5Very low27Very low129 Ų129141.2 Ų141.278%0.78275%0.745SS**  trans115.2100.5149.8-176.50000112.4
151E27.1Very low26.7Very low122 Ų122137.1 Ų137.157%0.5774%0.743SS**  cis66.3129.342-63.3-170.8148.200114.1
152Y28.4Very low27.5Very low185 Ų185138.3 Ų138.373%0.72575%0.748SS**  cis-148.4-169.9-3.4-95.6-55.8000106.9
153Q28.3Very low27.4Very low156 Ų156139.4 Ų139.473%0.72975%0.748SS**  cis-160.3-177.112.6-139.7179.798.800106.2
154K24.4Very low28.4Very low179 Ų179138.3 Ų138.378%0.77875%0.747SS**  cis-160.5130.75-176.3-175.6-173.91790111.3
155G23.9Very low28.1Very low81 Ų81138.9 Ų138.984%0.83575%0.75SS**  trans74.1152.8159.500000117
156G25.4Very low27.9Very low69 Ų69138.2 Ų138.271%0.71175%0.75SS**  cis154.4137.4-10.400000113.4
157E24.5Very low28.1Very low195 Ų195138 Ų13891%0.91175%0.748SS**  trans63161.6169.5-62.7-179.2108.200116
158S27.5Very low27.9Very low99 Ų99135.6 Ų135.669%0.69275%0.749SS**  cis-158.1141.9-28.648.90000107.1
159D25.8Very low28.7Very low155 Ų155133.3 Ų133.383%0.82975%0.752SS**  66.5164.799.8-151.14.5000116.5
160L26.4Very low28.8Very low160 Ų160132 Ų13284%0.83876%0.759SS**  trans93.9124.4-179.1-56.3176000118.9
161G22Very low28.9Very low64 Ų64134 Ų13466%0.6677%0.765SS**  trans-111.6-150.8136.500000108.8
162P45.6Very low28.9Very low119 Ų119131.8 Ų131.877%0.77378%0.775SS**  cis-140.4-172.2-6.445.4-28.5000114.6
163Q25.6Very low29Very low170 Ų170130.6 Ų130.679%0.79479%0.787SS**  trans67.7-169.8158.7-64.5-77.1-27.800116.1
164P47.7Very low29.1Very low91 Ų91126.5 Ų126.559%0.59179%0.787SS**  -132.3-143-89.743.1-24.6000114.2
165E24.6Very low29.2Very low171 Ų171121.5 Ų121.580%0.79979%0.786SS**  trans71.3154.1167.8-76.5164.4-151.200117.3
166E24Very low30.3Very low166 Ų166123.8 Ų123.878%0.77679%0.786SS**  cis-163.2-161.7-31-151.5-162.5-16900108.4
167L29.6Very low31.3Very low150 Ų150126 Ų12679%0.78579%0.787SS**  trans78.9101.4162.2-54-178.7000121.1
168S25.1Very low31.6Very low112 Ų112120.1 Ų120.178%0.78378%0.78SS**  trans-62.7-174142.8-50.40000111.5
169P44.7Very low31.6Very low126 Ų126125 Ų12582%0.81879%0.788SS**  cis-138.3-170.44.943.4-24.2000115.7
170G27.2Very low31.5Very low73 Ų73122.6 Ų122.675%0.75378%0.784SS**  trans-179.4108167.900000113.1
171D28.4Very low31.5Very low171 Ų171120.7 Ų120.791%0.91478%0.784SS**  trans-64.4161.3-170.6-57.7-87000116.9
172G28.8Very low31.8Very low76 Ų76126.8 Ų126.878%0.78480%0.796SS**  trans176.865.3172.700000118.2
173V30.5Very low31.8Very low159 Ų159126.3 Ų126.396%0.96479%0.792SS**  trans-35.4141.5166.8-177.30000114
174G28.5Very low31.8Very low71 Ų71123.1 Ų123.173%0.73279%0.789SS**  cis170.3175.71.800000111.2
175G26.7Very low30.8Very low74 Ų74125.2 Ų125.276%0.76380%0.8SS**  trans-109.2-145.4172.200000112
176P47.9Very low30.9Very low128 Ų128122.3 Ų122.383%0.83180%0.799SS**  cis-128.5-114.5-29.834.7-14.7000109.9
177P47.1Very low31.3Very low115 Ų115121.4 Ų121.475%0.74780%0.799SS**  -127165.1-58.236.5-20.2000116.2
178G29.3Very low31.2Very low73 Ų73117.9 Ų117.975%0.75380%0.798SS**  trans80.8174.8144.400000119.1
179K27.5Very low31.5Very low200 Ų200120 Ų12087%0.8780%0.796SS**  cis-160.4138.8-4.8-122.6176.9-175.7179.80111.8
180S25.1Very low31Very low106 Ų106120.7 Ų120.774%0.74179%0.792SS**  trans18.6132.2150.159.20000122.8
181S26.3Very low31.1Very low120 Ų120125.4 Ų125.484%0.83979%0.794SS**  -170119.9123.852.50000114.8
182E27.6Very low31.2Very low192 Ų192124.7 Ų124.790%0.89779%0.785SS**  trans-119.8-176.9150.9-78.4-159.3153.400106.6
183P45.7Very low31.5Very low109 Ų109130.8 Ų130.871%0.70879%0.786SS**  cis-133.4-171-0.242.5-25.5000114.2
184S25.2Very low31.7Very low103 Ų103130 Ų13072%0.7278%0.776SS**  162.7123.5117.752.50000115.8
185T26.4Very low32.2Very low134 Ų134134.5 Ų134.582%0.82278%0.783SS**  trans39.7149.313455.10000122.9
186S28.1Very low33Very low111 Ų111138.8 Ų138.878%0.77679%0.788SS**  cis-164.5-176.65.837.20000112.7
187L31.9Very low32.4Very low147 Ų147139.6 Ų139.677%0.7778%0.783SS**  trans-61.4171.1-178.4-79.970.1000116.4E189L187-E189 VanDerWaalsContact CB-OE1 3.28Å; L187-E189 WeakPolarHBondContact CB-OE1 3.48Å; L187-E189 WeakPolarHBondContact CD2-OE1 3.28Å
188G27.7Very low32.2Very low76 Ų76142.4 Ų142.478%0.78479%0.791SS**  trans-139.6145.515900000111.5
189E31.5Very low32.9Very low156 Ų156146.4 Ų146.473%0.72979%0.79SS**  trans-151.9157.4-160.1-80150.9-97.400109.2L187L187-E189 VanDerWaalsContact CB-OE1 3.28Å; L187-E189 WeakPolarHBondContact CB-OE1 3.48Å; L187-E189 WeakPolarHBondContact CD2-OE1 3.28Å
190L33.4Very low33.8Very low140 Ų140143.4 Ų143.473%0.73378%0.782SS**  cis-166.4152.3-8.4165.965.7000107.6
191E29.1Very low34.8Very low172 Ų172146.6 Ų146.680%0.80479%0.79SS**  trans-128.1146.9172.9-70.4-168.7172.900113.5
192H31.4Very low35.4Very low156 Ų156147.6 Ų147.672%0.72279%0.786SS**  trans-126.9149.8-178.2-112.6-96000109.9
193Y34.8Very low36Very low205 Ų205144.5 Ų144.580%0.80478%0.78SS**  trans-137.5127.7165-93.2-87.9000110
194D35.8Very low35.7Very low142 Ų142144.3 Ų144.376%0.75978%0.779SS**  trans-90.7141.1172.2-56.5-50.8000110.3
195L38.7Very low36Very low166 Ų166149.6 Ų149.687%0.86979%0.785SS**  trans-14696.5172.2-74.7178.9000110.7
196D42.8Very low36.5Very low164 Ų164150.3 Ų150.388%0.87778%0.782SS**  trans-78131163.5-71.5-42000110.1
197M35.7Very low36.6Very low145 Ų145153.8 Ų153.871%0.71478%0.783SS**  trans-151.380.4165.8-91.7-139.568.800111.8E199M197-E199 VanDerWaalsContact C-N 3.27Å; M197-E199 HydrophobicContact CE-CB 3.83Å; M197-E199 PolarHBondContact O-N 2.97Å; M197-E199 VanDerWaalsContact O-N 3.11Å
198D43.4Very low36.4Very low174 Ų174152 Ų15293%0.9378%0.783SS**  trans-74.775.8158.1-89.7-40000109.9
199E43.2Very low36.4Very low156 Ų156154 Ų15473%0.72979%0.785SS**  trans-156.2152.9166.9-131168.4-144.500115M197M197-E199 VanDerWaalsContact C-N 3.27Å; M197-E199 HydrophobicContact CE-CB 3.83Å; M197-E199 PolarHBondContact O-N 2.97Å; M197-E199 VanDerWaalsContact O-N 3.11Å
200I45.9Very low36.5Very low137 Ų137154.4 Ų154.470%0.70379%0.787SS**  trans70.168.1173.4-41.6176.7000115.8D202I200-D202 HydrophobicContact CG2-CB 4.04Å
201L45.5Very low36.4Very low174 Ų174157 Ų15791%0.91180%0.795SS**  trans-75.5108.8140.2-81170.1000108.7
202D39.5Very low36.5Very low141 Ų141156.4 Ų156.475%0.75480%0.797SS**  trans-146.691.7170.3-130.3-22.3000111.6I200I200-D202 HydrophobicContact CG2-CB 4.04Å
203V40.5Very low36.3Very low127 Ų127154 Ų15477%0.7780%0.804SS**  trans-95.5117.6177.4178.60000109Y205V203-Y205 PolarHBondContact O-N 3.45Å; V203-Y205 VanDerWaalsContact O-N 3.07Å
204P39.6Very low35.8Very low105 Ų105149.1 Ų149.168%0.68280%0.8SS**  trans-68.1110.4-175.225.6-33.6000112I206P204-I206 PolarHBondContact O-N 3.05Å
205Y31Very low35.4Very low213 Ų213151.5 Ų151.584%0.83580%0.804SS**  trans-71.987.1179.5-172.8-94000111.8V203 K207V203-Y205 PolarHBondContact O-N 3.45Å; V203-Y205 VanDerWaalsContact O-N 3.07Å; Y205-K207 PolarHBondContact O-N 3.43Å
206I37.8Very low34.8Very low150 Ų150150.4 Ų150.477%0.76980%0.804SS**  trans-76.2114.6179.4-62.3178000110.6P204 S208P204-I206 PolarHBondContact O-N 3.05Å; I206-S208 PolarHBondContact O-N 3.42Å
207K28.8Very low34Very low183 Ų183151.9 Ų151.980%0.79680%0.803SS**  trans-91.494.9-177.4-164.7174.5-172.3174.40111.1Y205 S209Y205-K207 PolarHBondContact O-N 3.43Å; K207-S209 PolarHBondContact O-N 3.18Å
208S27.9Very low33.4Very low111 Ų111151 Ų15178%0.77681%0.805SS**  trans-75.1101-176.745.90000113.1I206I206-S208 PolarHBondContact O-N 3.42Å
209S29Very low32.4Very low118 Ų118149.1 Ų149.183%0.82580%0.8SS**  trans-87.8123.5164.6-167.50000109.8K207K207-S209 PolarHBondContact O-N 3.18Å
210Q32.2Very low31.8Very low164 Ų164147.1 Ų147.177%0.76680%0.803SS**  trans-84.6137172.8-58.8176.811.100110.5
211Q32.6Very low30.8Very low193 Ų193149.1 Ų149.190%0.90281%0.81SS**  trans-144.7136.7137.2-76.1-157.5-40.600108.5
212L30.1Very low30Very low161 Ų161149.1 Ų149.184%0.84380%0.802SS**  trans-95.8147.6172-8677.1000109.9
213A27.1Very low29.6Very low104 Ų104152.1 Ų152.186%0.8680%0.803SS**  trans-146.4127.6156.100000110
214S25.9Very low29.1Very low103 Ų103153.2 Ų153.272%0.7280%0.803SS**  trans-82.2165.6170.1-6.50000109.8
215F25.8Very low28.5Very low192 Ų192156.1 Ų156.184%0.84281%0.812SS**  cis-159.3-170.14.9-126.2-46000109.1
216T25.7Very low28.3Very low143 Ų143149.1 Ų149.188%0.87780%0.804SS**  trans91.4170.6164.280.20000118.7
217K26.3Very low27.8Very low195 Ų195149.4 Ų149.485%0.84881%0.807SS**  trans-141.4129.8-148.5158.6-165.9177.9-179.90108.9
218V23Very low27.8Very low127 Ų127146 Ų14677%0.7781%0.805SS**  trans176.3134.4145.9138.30000113.2
219T23.6Very low27.7Very low135 Ų135146.7 Ų146.783%0.82880%0.804SS**  trans49.3150.5161.754.90000123.3
220S30.1Very low27.7Very low113 Ų113147 Ų14779%0.7980%0.802SS**  trans-91.4151.3175.349.20000113.8
221E24Very low27.7Very low180 Ų180145.9 Ų145.984%0.84180%0.799SS**  trans-147.4-176.5153-127.5-164.8153.800113.6
222K29.9Very low27.5Very low174 Ų174143.8 Ų143.876%0.75779%0.794SS**  trans-126.9154.4-151.9-61174.1179.5172.60116.4
223R29.9Very low27.4Very low204 Ų204139.2 Ų139.277%0.7779%0.786SS**  trans106.6129.3165.5-66.4164.4-79.8-167-7.5113.5
224I30Very low27.6Very low150 Ų150143 Ų14377%0.76979%0.791SS**  cis88.6140.521.5-50.3164.3000114.7
225L28.1Very low27.6Very low166 Ų166144 Ų14487%0.86980%0.798SS**  trans87.4141.4179.2-67.3115.9000115.9
226G27.1Very low27.7Very low65 Ų65137.9 Ų137.967%0.6779%0.789SS**  cis-158.3-176.2-3.800000109.8
227L26.9Very low27.9Very low157 Ų157141.2 Ų141.282%0.82279%0.791SS**  cis-138.9153.525.4-103.458.3000109.2
228C28Very low27.8Very low111 Ų111136.1 Ų136.175%0.7579%0.785SS**  50.5125.483.6-53.50000114.5
229T26.8Very low27.8Very low125 Ų125135.6 Ų135.677%0.76779%0.786SS**  cis-143.7-141.51.4-19.80000110.4
230T29.7Very low27.7Very low126 Ų126133.9 Ų133.977%0.77378%0.779SS**  cis-157.6162.515.1-33.70000112.8
231I30.9Very low27.4Very low139 Ų139135.5 Ų135.571%0.71379%0.785SS**  trans-84.8168.2170.931.8172.4000111.6
232N29.8Very low27.4Very low149 Ų149130.2 Ų130.280%0.79778%0.779SS**  cis-155.5174.627.5-116-27000110.3
233G27.7Very low27.1Very low65 Ų65127.6 Ų127.667%0.6778%0.782SS**  cis-179.8-169.45.900000113.6
234L31.1Very low26.9Very low185 Ų185122.9 Ų122.997%0.96978%0.781SS**  trans-120.9148.5-167.9-76.4159.8000114.4
235S26.1Very low26.6Very low124 Ų124124.5 Ų124.587%0.86779%0.785SS**  trans-167.3150.3155.4-164.50000110.4
236G27.8Very low26.4Very low63 Ų63122.1 Ų122.165%0.64978%0.782SS**  cis156.695.3-1000000115.6
237K29.3Very low26.4Very low213 Ų213123.8 Ų123.893%0.92678%0.784SS**  trans70.8117.1158.2-68.7-177.3174.8-179.70122
238A24.1Very low26.3Very low88 Ų88121.9 Ų121.973%0.72778%0.783SS**  85.2123.3114.300000124.1
239C23.2Very low26.3Very low116 Ų116120.6 Ų120.678%0.78478%0.775SS**  trans80.7106.8134.1-67.50000123.8
240S22.3Very low26.3Very low98 Ų98121.3 Ų121.369%0.68577%0.774SS**  91.7122.6120.1-58.90000123.6
241T22.7Very low26.1Very low148 Ų148123.3 Ų123.391%0.90878%0.777SS**  trans72.3132.2138.651.80000122.9
242G23.3Very low25.8Very low69 Ų69120.2 Ų120.271%0.71177%0.772SS**  trans115.3116.2174.300000111.1
243S23.8Very low26.5Very low119 Ų119118.5 Ų118.583%0.83277%0.77SS**  cis100.9146.641.2-72.60000113.3
244S25.5Very low26.6Very low105 Ų105124.5 Ų124.573%0.73478%0.777SS**  trans60.196.3170.757.40000120.3
245E24.1Very low26.4Very low184 Ų184121.3 Ų121.386%0.8677%0.769SS**  46.3146.9114.1-61.3-178.1126.800124.1
246S24.4Very low26.5Very low115 Ų115121.2 Ų121.280%0.80476%0.763SS**  trans79.1154.2152.178.80000119.9
247S26.7Very low26.5Very low101 Ų101125.9 Ų125.971%0.70677%0.772SS**  cis-170.9163.2-34.161.70000111.3
248S24.5Very low26.5Very low116 Ų116120.9 Ų120.981%0.81177%0.765SS**  trans70.4164.4159.587.10000117.4
249S27.9Very low27.9Very low84 Ų84122.3 Ų122.359%0.58777%0.766SS**  cis-159.4153.1280.30000113.3
250N26.7Very low28Very low140 Ų140122.1 Ų122.175%0.74976%0.761SS**  trans64.4155.7141.9-62.7-21.5000121.5
251M27.5Very low28.2Very low168 Ų168127 Ų12783%0.82877%0.77SS**  cis-162.7173-25.7-114.2-62.3147.400111.1
252A24.1Very low28.9Very low74 Ų74124.8 Ų124.861%0.61276%0.761SS**  trans-70.6174.9-176.500000115.7
253P43.2Very low30.1Very low114 Ų114127 Ų12774%0.7476%0.763SS**  -157137.377.338.3-15.7000121
254F30Very low30.6Very low190 Ų190129.7 Ų129.783%0.83376%0.762SS**  trans63.5161.1131.5-77.1-78.8000127.3
255C26.8Very low31.1Very low119 Ų119131.5 Ų131.580%0.80476%0.763SS**  trans86.8118.2168.3-62.70000117.6
256V28Very low31.8Very low121 Ų121132.7 Ų132.773%0.73376%0.759SS**  cis109.3134.812.4-178.50000114.5
257L28Very low31.9Very low161 Ų161137.4 Ų137.484%0.84377%0.765SS**  trans100.7135.1174.3-57.1-173.1000119.6
258S30.5Very low32Very low109 Ų109137.4 Ų137.476%0.76277%0.771SS**  trans-116.7-165.5157.8-400000107.1
259P52Low32.1Very low118 Ų118137.5 Ų137.577%0.76677%0.772SS**  cis-136.9-155.3-630.4-4.7000113.6
260V26Very low32.1Very low112 Ų112137.8 Ų137.868%0.67978%0.779SS**  trans122.3102.6144.8177.60000120.2
261K27.1Very low32.1Very low200 Ų200137.7 Ų137.787%0.8778%0.783SS**  60.8163.8129.9-57.6179.7-167.8172.70124.3
262S37.8Very low32Very low102 Ų102137 Ų13771%0.71378%0.782SS**  trans-123.7171.8178.456.20000113.3
263P47.2Very low32.1Very low116 Ų116143.4 Ų143.475%0.75379%0.79SS**  trans-120.7142.7158.135.5-23.3000112.3
264H35.5Very low31.2Very low175 Ų175142.3 Ų142.381%0.8178%0.778SS**  78.2134.251.1-71.6-45.1000114.7
265L35.5Very low31.1Very low143 Ų143140 Ų14075%0.74977%0.77SS**  -171174.468-76.7171000110.7
266R37.8Very low31.1Very low208 Ų208142 Ų14279%0.78577%0.767SS**  cis175.795.3-26.9178.4-125.6-60.6172.54.7112.5
267K26.9Very low31.1Very low215 Ų215144.8 Ų144.894%0.93577%0.769SS**  trans-155.5143.2166.5-87.9-172.6176.2178.30110.6
268A28.9Very low31Very low100 Ų100144.4 Ų144.483%0.82677%0.767SS**  cis-156.8173.6-15.500000110.4
269S26.6Very low30.9Very low119 Ų119143.6 Ų143.683%0.83277%0.767SS**  trans-92.9176.8-169.3570000115.3
270A27.8Very low29.7Very low90 Ų90143.8 Ų143.874%0.74477%0.766SS**  cis-133-1316.300000113.1
271V27.2Very low29.7Very low137 Ų137147.1 Ų147.183%0.8377%0.774SS**  cis-149.1165.115.1-173.70000111.5
272I26Very low29.8Very low155 Ų155144 Ų14480%0.79576%0.763SS**  trans-54.5163.8165.7-67.3162.7000113.6
273R25.6Very low29.3Very low207 Ų207144.2 Ų144.278%0.78176%0.76SS**  cis169.9143.5-23.9-174.1-167.4165.2157.63.5108.4
274D24.7Very low28.4Very low91 Ų91145.3 Ų145.349%0.48776%0.755SS.*  trans47.4121.5157.7-69.9-26.6000121.6
275Q27.6Very low28Very low142 Ų142143.6 Ų143.666%0.66475%0.75SS**  70.2157.494.7-62-176.771.800116.6
276H27.1Very low27.7Very low161 Ų161140.8 Ų140.875%0.74574%0.742SS**  cis-118.5-135.20.9-54.5-94000109.5
277K27.9Very low27.8Very low179 Ų179136.4 Ų136.478%0.77874%0.741SS**  cis-162.9168.3-1-148.5-167.4173.5-173.80111.2
278L26.3Very low28.5Very low153 Ų153131.2 Ų131.280%0.80173%0.729SS**  trans77.8136.9166-58172.8000116.3
279A27Very low28.4Very low92 Ų92134.2 Ų134.276%0.7673%0.73SS**  cis-138.5172.2-1.400000112.1
280T27.6Very low28.4Very low122 Ų122134.3 Ų134.375%0.74873%0.726SS**  trans-141.8133.1-173.4-54.70000110
281E26.2Very low28.3Very low183 Ų183139.1 Ų139.186%0.85573%0.73SS**  trans-156.8141.7145.7-73.1-161.4167.300105.7
282E28Very low28.1Very low135 Ų135139 Ų13963%0.63173%0.733SS**  cis-167.6162.4-13.7-103.8-35.676.400106.2
283T28.7Very low27.9Very low105 Ų105134.8 Ų134.864%0.64473%0.728SS**  cis-170.4171.1-8.1-154.30000106
284E28.3Very low27.9Very low140 Ų140130.6 Ų130.665%0.65473%0.731SS**  cis-160.5-166.5-5.2-145.6-71.388.100106.2
285I26.7Very low27.8Very low139 Ų139130.3 Ų130.371%0.71374%0.741SS**  trans78.969.8162.2-55.8159.5000114.7
286S28.1Very low27.7Very low83 Ų83134 Ų13458%0.5875%0.751SS**  31.5158.2103.385.90000120.8
287P41.5Very low27.5Very low116 Ų116133.7 Ų133.775%0.75375%0.749SS**  cis-132.8-131.1-3335.2-11.6000112.4
288P40.1Very low28.1Very low107 Ų107130 Ų13070%0.69574%0.744SS**  -141179.9-122.845.1-23.2000119.4
289L26.8Very low28Very low162 Ų162130.2 Ų130.285%0.84874%0.741SS**  trans77.8159.8141.6-150.972.5000120.6
290V27.4Very low28.1Very low122 Ų122132 Ų13274%0.73974%0.738SS**  trans99.8111.6155.7-166.90000119.9
291K25.6Very low28Very low191 Ų191134.6 Ų134.683%0.8374%0.741SS**  trans-15.5139150.6-64.9173.3175.2176.30120.3
292C22.2Very low28.1Very low133 Ų133129.9 Ų129.990%0.89973%0.729SS**  56.1124.3119.9-161.60000121.5
293G23.3Very low28.1Very low67 Ų67132.1 Ų132.169%0.69174%0.736SS**  129.6119.5121.800000119.6
294S24.1Very low28Very low119 Ų119132.6 Ų132.683%0.83274%0.735SS**  trans64.390.7139.3-170.80000121.9
295A24.1Very low27.9Very low85 Ų85133.9 Ų133.970%0.70274%0.739SS**  68159.311900000123.4
296Y24.1Very low28Very low220 Ų220133.9 Ų133.986%0.86374%0.739SS**  trans75.7107.3171.5-83.7-91.2000119.8
297E24.1Very low27.9Very low154 Ų154135.5 Ų135.572%0.7274%0.741SS**  19.4147109.9-75.3-62.3117.700118.5
298P39Very low27.1Very low103 Ų103138.3 Ų138.367%0.66974%0.742SS**  -155167.750.644.2-24.1000120.8
299E26Very low26.3Very low156 Ų156139.4 Ų139.473%0.72975%0.747SS**  trans65.6155.1136.6-83.2-161.6108.100122.2
300N28.3Very low26.2Very low131 Ų131141 Ų14170%0.70175%0.747SS**  cis-168.4-171.2-18-155.5-26.1000109.5
301Q26.2Very low26Very low176 Ų176141 Ų14182%0.82275%0.753SS**  trans96.6140.7172.5-57.4-175.144.600116.8
302S27.3Very low26.1Very low84 Ų84138.9 Ų138.959%0.58775%0.751SS**  cis-169.8137.7-10.5-95.80000112.7
303K28Very low26.8Very low181 Ų181137.2 Ų137.279%0.78774%0.738SS**  trans68.1160151.5-63.3178.2-176.8177.20119.2
304D27.5Very low26.9Very low116 Ų116142.7 Ų142.762%0.6275%0.745SS**  cis-175.3163.3-16.2-87-14.2000106.6
305F26.3Very low26.9Very low166 Ų166140.6 Ų140.673%0.72874%0.742SS**  cis-169.8141.3-18.5-112.1-45.2000112.2
306L28.6Very low27Very low140 Ų140148.1 Ų148.173%0.73375%0.752SS**  trans66.9157.5153.3-52.9174.8000120.1
307N25.1Very low27Very low116 Ų116147.1 Ų147.162%0.6275%0.752SS**  cis-164.4155.8-10.4-122.7-21000113.7
308K25.1Very low27.1Very low176 Ų176146.2 Ų146.277%0.76576%0.757SS**  trans31.2149.1146.7-60.3175.5-179.2-178.90122.1
309T23.7Very low26.3Very low130 Ų130147.9 Ų147.980%0.79876%0.756SS**  -172166.258.4-47.90000113.5
310F23.4Very low26.3Very low195 Ų195148.2 Ų148.286%0.85576%0.755SS**  trans-56.7154.7172.4-75.6-111.9000116.4
311S24.4Very low26.1Very low122 Ų122148.5 Ų148.585%0.85376%0.762SS**  168.1154.1112.2-700000114.8
312D26.5Very low26.3Very low147 Ų147146.2 Ų146.279%0.78676%0.76SS**  trans-124.3139.7159.116848.7000107.8
313P37.8Very low26.9Very low97 Ų97147.2 Ų147.263%0.6376%0.764SS**  -156.8152.9119.637.7-18.7000118.7
314H25.6Very low26.7Very low183 Ų183145.4 Ų145.485%0.84776%0.763SS**  trans49109.8138.4-62.9-40.2000123.3
315G24.4Very low26.4Very low74 Ų74143.9 Ų143.976%0.76376%0.761SS**  93.8161.5100.400000122.5
316R26.2Very low26.4Very low243 Ų243143.5 Ų143.592%0.91776%0.761SS**  trans73.1123.6-178.8-60.6-175177-154.7-0.3114.7
317K24.3Very low26.2Very low200 Ų200142.9 Ų142.987%0.8776%0.758SS**  68.6116.162.9-77.7-166.5174.7-171.60114.2
318V25.5Very low26.3Very low135 Ų135147.8 Ų147.882%0.81877%0.768SS**  179159.7121.71470000111.3
319E23Very low26.4Very low138 Ų138142.5 Ų142.565%0.64576%0.757SS**  trans-21.3149.3-179-64.8176.3103.900121.3
320K25.6Very low26.4Very low163 Ų163145.6 Ų145.671%0.70976%0.759SS**  cis80.5105.646.7153.5-115.4-178.9175.10114.7
321T24.6Very low26.5Very low137 Ų137143.8 Ų143.884%0.8475%0.753SS**  trans-172.6123.4140.426.40000112.6
322T29.9Very low26.5Very low127 Ų127145.5 Ų145.578%0.77975%0.752SS**  trans-67.7167.5144.542.80000109.2
323P40.3Very low26.4Very low106 Ų106145.7 Ų145.769%0.68875%0.748SS**  cis-155.4-167.842.342.6-18.5000117.9
324D22.3Very low25.7Very low143 Ų143146 Ų14677%0.76575%0.752SS**  trans59.8154.8143-80.525.8000122.3
325C22.7Very low25.6Very low84 Ų84142.1 Ų142.157%0.56875%0.746SS**  cis-174.1154.1-35-124.10000109
326Q26.2Very low25.6Very low158 Ų158143.5 Ų143.574%0.73875%0.75SS**  trans67.5159.1146.3-68177.545.400116.7
327L24.6Very low25.5Very low127 Ų127136.9 Ų136.967%0.66575%0.748SS**  cis-159.1165.2-5.7-125.7177000111.1
328R27.2Very low25.4Very low219 Ų219136.6 Ų136.683%0.82675%0.75SS**  trans72.1158.8158.4-67.7179.7-165.4-172.55.1119.8
329A25.7Very low25.4Very low64 Ų64136.1 Ų136.153%0.52975%0.752SS.*  cis179.5164.7-35.500000110.2
330F25Very low25.7Very low195 Ų195136.2 Ų136.286%0.85575%0.751SS**  trans70.5119167.5-52.8-67.7000116
331H24.4Very low26.6Very low158 Ų158133.6 Ų133.673%0.73175%0.75SS**  cis93.511113-146.2107000116
332L24.9Very low26.5Very low158 Ų158135.5 Ų135.583%0.82775%0.749SS**  trans-166.4122.3163.3-96.3155.1000104.1
333Q23.7Very low26.6Very low150 Ų150136.6 Ų136.670%0.70175%0.745SS**  56.9135.253.7-68.1-173-49.200112.7
334S23Very low26.5Very low103 Ų103139.1 Ų139.172%0.7275%0.748SS**  cis-165.9179.20.7-118.90000108.7
335S24.3Very low26.8Very low102 Ų102137.5 Ų137.571%0.71374%0.743SS**  cis-168.7149.8-0.439.90000111.9
336A24.6Very low27.3Very low103 Ų103139.2 Ų139.285%0.85176%0.756SS**  trans49.3127.2140.600000124
337A23.7Very low27.5Very low104 Ų104134.6 Ų134.686%0.8675%0.751SS**  trans-159.8157135.900000110.1
338E23Very low27.9Very low195 Ų195136.2 Ų136.291%0.91176%0.759SS**  trans-92.2162.6-176.5-68.8163.6115.300111.2
339S24.9Very low27.7Very low125 Ų125132.7 Ų132.787%0.87476%0.757SS**  -158.5165.461.654.50000116.8
340K28.9Very low27.8Very low140 Ų140137.5 Ų137.561%0.60976%0.762SS**  trans-98.9-177.2170.3-115.4-164.8171.1-166.10109.5E343K340-E343 IonicContact NZ-OE1 2.66Å; K340-E343 PolarHBondContact NZ-OE1 3.38Å; K340-E343 IonicContact NZ-OE2 3.76Å; K340-E343 PolarHBondContact NZ-OE2 3.3Å
341P43.8Very low28.1Very low107 Ų107135 Ų13570%0.69576%0.762SS**  cis-113.2-160.510.635.5-14.3000110.8
342E23.2Very low28.5Very low177 Ų177130.3 Ų130.383%0.82775%0.747SS**  cis-123.3-150.59.2-64.9-174.7114.700112.9
343E31.4Very low29.2Very low150 Ų150130.2 Ų130.270%0.70175%0.753SS**  trans-149.4173.5-144.5-148.3107.1-128.400117.4K340K340-E343 IonicContact NZ-OE1 2.66Å; K340-E343 PolarHBondContact NZ-OE1 3.38Å; K340-E343 IonicContact NZ-OE2 3.76Å; K340-E343 PolarHBondContact NZ-OE2 3.3Å
344Q38.1Very low30.3Very low160 Ų160127.1 Ų127.175%0.74874%0.739SS**  trans-92.1-169.7-171.5-59.6169.8-17.200111.9
345V29.5Very low31.2Very low109 Ų109123.6 Ų123.666%0.66172%0.719SS**  -138.7127.480.7-179.30000113.1L348V345-L348 HydrophobicContact CG1-CD2 4.39Å; V345-L348 HydrophobicContact CG1-CG 4.47Å
346S32.5Very low32.7Very low119 Ų119124.6 Ų124.683%0.83272%0.723SS**SBendtrans-147.682.3151.7-84.60000108.7
347G30.9Very low34.3Very low61 Ų61126.8 Ų126.863%0.62972%0.715SS**  trans148.6110.6-172.300000109.8
348L32.5Very low36.1Very low161 Ų161125.6 Ų125.684%0.84369%0.692SS**  trans-107.7112.3167.3-74.7174.1000108.6V345 W350V345-L348 HydrophobicContact CG1-CD2 4.39Å; V345-L348 HydrophobicContact CG1-CG 4.47Å; L348-W350 PolarHBondContact O-N 2.86Å
349N23.5Very low38Very low146 Ų146124.8 Ų124.878%0.78168%0.681SS**  trans-55.6131156.4-80-40.5000107.8T351N349-T351 PolarHBondContact O-N 2.93Å
350W28.2Very low40.4Very low165 Ų165121.3 Ų121.363%0.62566%0.657SS**  trans-70.797.7166.2-171.5-90.2000107.3L348 S352L348-W350 PolarHBondContact O-N 2.86Å; W350-S352 PolarHBondContact O-N 2.69Å
351T32.1Very low43Very low141 Ų141120.4 Ų120.487%0.86565%0.654SS**  trans-75.965.4177.752.60000110.9N349N349-T351 PolarHBondContact O-N 2.93Å
352S32.4Very low44.7Very low60 Ų60120 Ų12042%0.4264%0.64SS.*SBendtrans-146.6138.7163.1-166.50000107.4W350 Q354W350-S352 PolarHBondContact O-N 2.69Å; S352-Q354 PolarHBondContact O-N 3.11Å; S352-Q354 VanDerWaalsContact OG-CD 3.31Å; S352-Q354 WeakPolarHBondContact OG-CG 3.47Å; S352-Q354 PolarHBondContact OG-OE1 3.42Å; S352-Q354 VanDerWaalsContact OG-OE1 3.05Å
353T40.1Very low47.5Very low156 Ų156115.9 Ų115.996%0.95762%0.623SS**  trans-7761.4-172.7-440000110.7
354Q45.8Very low50Low86 Ų86114.4 Ų114.440%0.40261%0.614SS.*  trans-114.3133.9-165.8-68.1-173.6-74.400111.4S352 E358S352-Q354 PolarHBondContact O-N 3.11Å; S352-Q354 VanDerWaalsContact OG-CD 3.31Å; S352-Q354 WeakPolarHBondContact OG-CG 3.47Å; S352-Q354 PolarHBondContact OG-OE1 3.42Å; S352-Q354 VanDerWaalsContact OG-OE1 3.05Å; Q354-E358 WeakPolarHBondContact CA-OE1 3.17Å; Q354-E358 HydrophobicContact CB-CB 4.03Å; Q354-E358 HydrophobicContact CB-CG 4.46Å; Q354-E358 WeakPolarHBondContact CB-OE1 3.38Å; Q354-E358 VanDerWaalsContact CG-OE2 3.28Å; Q354-E358 WeakPolarHBondContact CG-OE2 3.36Å; Q354-E358 PolarHBondContact NE2-OE2 3.2Å
355G42.1Very low52.2Low28 Ų28111.8 Ų111.829%0.28960%0.6SS.*  trans-70.9169-167.900000114.2E357 E358 R359G355-E357 PolarHBondContact O-N 3.37Å; G355-E357 VanDerWaalsContact O-N 3.1Å; G355-E358 PolarHBondContact N-OE1 3.44Å; G355-E358 PolarHBondContact O-N 3.17Å; G355-R359 PolarHBondContact O-N 2.97Å
356P55.9Low54.9Low124 Ų124107.4 Ų107.481%0.80557%0.574SS**Hα-helixtrans-57.3-23.9168.625.6-34.4000112.4S360P356-S360 PolarHBondContact O-N 3.15Å; P356-S360 VanDerWaalsContact O-N 3.14Å
357E58.3Low57.5Low148 Ų148107.6 Ų107.669%0.69256%0.56SS**Hα-helixtrans-66.9-46.8173.2-166.3151.8-139.200112.3G355 R359 S360 E361G355-E357 PolarHBondContact O-N 3.37Å; G355-E357 VanDerWaalsContact O-N 3.1Å; E357-R359 PolarHBondContact O-N 2.71Å; E357-S360 CarbonylContact O-C 3.52Å; E357-S360 WeakPolarHBondContact O-CA 3.26Å; E357-S360 WeakPolarHBondContact O-CB 3.33Å; E357-S360 PolarHBondContact O-N 2.7Å; E357-E361 PolarHBondContact O-N 2.91Å
358E60.5Low60.3Low80 Ų80107.8 Ų107.837%0.37455%0.552SS.*Hα-helixtrans-69.4-33.9178.5-69.2170.4-8600112.4Q354 G355 S360 E361 Y362Q354-E358 WeakPolarHBondContact CA-OE1 3.17Å; Q354-E358 HydrophobicContact CB-CB 4.03Å; Q354-E358 HydrophobicContact CB-CG 4.46Å; Q354-E358 WeakPolarHBondContact CB-OE1 3.38Å; Q354-E358 VanDerWaalsContact CG-OE2 3.28Å; Q354-E358 WeakPolarHBondContact CG-OE2 3.36Å; Q354-E358 PolarHBondContact NE2-OE2 3.2Å; G355-E358 PolarHBondContact N-OE1 3.44Å; G355-E358 PolarHBondContact O-N 3.17Å; E358-S360 VanDerWaalsContact C-N 3.25Å; E358-S360 PolarHBondContact O-N 3.49Å; E358-E361 PolarHBondContact O-N 3.18Å; E358-E361 VanDerWaalsContact O-N 3.15Å; E358-Y362 PolarHBondContact O-N 3.13Å
359R64.4Low62.9Low178 Ų178100.6 Ų100.667%0.67251%0.514SS*.Hα-helixtrans-63.6-33.6168.6-169.1176.7-18092.4-1.6111.6G355 E357 L363G355-R359 PolarHBondContact O-N 2.97Å; E357-R359 PolarHBondContact O-N 2.71Å; R359-L363 WeakPolarHBondContact O-CG 3.39Å; R359-L363 PolarHBondContact O-N 2.77Å; R359-L363 VanDerWaalsContact O-N 3.16Å
360S74.6Confident66.1Low52 Ų5294.5 Ų94.536%0.36448%0.481SS..Hα-helixtrans-67.2-39.8171.4-164.90000111.4P356 E357 E358 L363 K364P356-S360 PolarHBondContact O-N 3.15Å; P356-S360 VanDerWaalsContact O-N 3.14Å; E357-S360 CarbonylContact O-C 3.52Å; E357-S360 WeakPolarHBondContact O-CA 3.26Å; E357-S360 WeakPolarHBondContact O-CB 3.33Å; E357-S360 PolarHBondContact O-N 2.7Å; E358-S360 VanDerWaalsContact C-N 3.25Å; E358-S360 PolarHBondContact O-N 3.49Å; S360-L363 PolarHBondContact O-N 2.88Å; S360-K364 WeakPolarHBondContact O-CD 3.5Å; S360-K364 WeakPolarHBondContact O-CG 3.37Å; S360-K364 PolarHBondContact O-N 3.25Å; S360-K364 WeakPolarHBondContact OG-CE 3.25Å; S360-K364 PolarHBondContact OG-NZ 3.26Å
361E82.4Confident69Low120 Ų12090.8 Ų90.856%0.56147%0.474SS*.Hα-helixtrans-67.6-41.3175.7-63.7-158.4148.200113.4E357 E358 L363 K364 K365E357-E361 PolarHBondContact O-N 2.91Å; E358-E361 PolarHBondContact O-N 3.18Å; E358-E361 VanDerWaalsContact O-N 3.15Å; E361-L363 VanDerWaalsContact C-N 3.34Å; E361-L363 PolarHBondContact O-N 2.82Å; E361-K364 PolarHBondContact O-N 3.23Å; E361-K365 WeakPolarHBondContact O-CB 3.34Å; E361-K365 PolarHBondContact O-N 3Å
362Y81.1Confident71.8Confident99 Ų9985.1 Ų85.139%0.38844%0.438SS..Hα-helixtrans-59.9-44.1172.9-179.1-96.4000111.6E358 K364 K365 V366E358-Y362 PolarHBondContact O-N 3.13Å; Y362-K364 PolarHBondContact O-N 2.96Å; Y362-K365 WeakPolarHBondContact O-CB 3.32Å; Y362-K365 PolarHBondContact O-N 3.31Å; Y362-V366 HydrophobicContact CD1-CG2 4.1Å; Y362-V366 HydrophobicContact CE1-CG2 3.59Å; Y362-V366 HydrophobicContact CE2-CG2 4.29Å; Y362-V366 WeakPolarHBondContact O-CG2 3.39Å; Y362-V366 PolarHBondContact O-N 2.96Å
363L81.6Confident74.6Confident91 Ų9182.3 Ų82.348%0.47642%0.418SS..Hα-helixtrans-64.8-36.1175.6-73.5168000112.7R359 S360 E361 K367R359-L363 WeakPolarHBondContact O-CG 3.39Å; R359-L363 PolarHBondContact O-N 2.77Å; R359-L363 VanDerWaalsContact O-N 3.16Å; S360-L363 PolarHBondContact O-N 2.88Å; E361-L363 VanDerWaalsContact C-N 3.34Å; E361-L363 PolarHBondContact O-N 2.82Å; L363-K367 WeakPolarHBondContact O-CB 3.33Å; L363-K367 WeakPolarHBondContact O-CG 3.38Å; L363-K367 PolarHBondContact O-N 2.99Å
364K84.4Confident77Confident119 Ų11978.4 Ų78.452%0.51739%0.388SS..Hα-helixtrans-65.8-41.2171.1-67.8161-157.3157.30111.3S360 E361 Y362 K367 S368S360-K364 WeakPolarHBondContact O-CD 3.5Å; S360-K364 WeakPolarHBondContact O-CG 3.37Å; S360-K364 PolarHBondContact O-N 3.25Å; S360-K364 WeakPolarHBondContact OG-CE 3.25Å; S360-K364 PolarHBondContact OG-NZ 3.26Å; E361-K364 PolarHBondContact O-N 3.23Å; Y362-K364 PolarHBondContact O-N 2.96Å; K364-K367 PolarHBondContact O-N 3.22Å; K364-S368 VanDerWaalsContact O-CB 3.3Å; K364-S368 WeakPolarHBondContact O-CB 3.47Å; K364-S368 PolarHBondContact O-N 3.07Å
365K84.4Confident79.1Confident104 Ų10479.7 Ų79.745%0.45239%0.394SS..Hα-helixtrans-62.6-48.4176.2-173.3-176.9178.7-175.70110.8E361 Y362 S368 I369E361-K365 WeakPolarHBondContact O-CB 3.34Å; E361-K365 PolarHBondContact O-N 3Å; Y362-K365 WeakPolarHBondContact O-CB 3.32Å; Y362-K365 PolarHBondContact O-N 3.31Å; K365-S368 WeakPolarHBondContact O-CB 3.39Å; K365-S368 PolarHBondContact O-N 3.41Å; K365-I369 HydrophobicContact CG-CD1 3.98Å; K365-I369 WeakPolarHBondContact O-CB 3.43Å; K365-I369 VanDerWaalsContact O-CG1 3.3Å; K365-I369 WeakPolarHBondContact O-CG1 3.43Å; K365-I369 PolarHBondContact O-N 2.8Å
366V85.6Confident81.4Confident18 Ų1879 Ų7911%0.10939%0.386CS..Hα-helixtrans-57.4-50.2174.1162.20000111.1Y362 S368 I369 L370 V392Y362-V366 HydrophobicContact CD1-CG2 4.1Å; Y362-V366 HydrophobicContact CE1-CG2 3.59Å; Y362-V366 HydrophobicContact CE2-CG2 4.29Å; Y362-V366 WeakPolarHBondContact O-CG2 3.39Å; Y362-V366 PolarHBondContact O-N 2.96Å; V366-S368 VanDerWaalsContact C-N 3.29Å; V366-S368 PolarHBondContact O-N 3.31Å; V366-I369 PolarHBondContact O-N 3.13Å; V366-L370 HydrophobicContact CG1-CD1 3.75Å; V366-L370 HydrophobicContact CG1-CG 4.39Å; V366-L370 WeakPolarHBondContact O-CB 3.34Å; V366-L370 VanDerWaalsContact O-CG 3.25Å; V366-L370 WeakPolarHBondContact O-CG 3.34Å; V366-L370 PolarHBondContact O-N 2.91Å; V366-V392 HydrophobicContact CG1-CG1 4.14Å
367K87.1Confident83Confident122 Ų12276.7 Ų76.753%0.5336%0.364SS..Hα-helixtrans-64-32.2177.5-70.5-165.6175.1-1470112.8L363 K364 N371 E395L363-K367 WeakPolarHBondContact O-CB 3.33Å; L363-K367 WeakPolarHBondContact O-CG 3.38Å; L363-K367 PolarHBondContact O-N 2.99Å; K364-K367 PolarHBondContact O-N 3.22Å; K367-N371 WeakPolarHBondContact O-CB 3.32Å; K367-N371 PolarHBondContact O-N 2.91Å; K367-E395 IonicContact NZ-OE1 3.94Å; K367-E395 PolarHBondContact NZ-OE1 2.9Å
368S88.8Confident84.2Confident66 Ų6671.9 Ų71.946%0.46234%0.343SS..Hα-helixtrans-67.6-45.4172.4-168.90000112.4K364 K365 V366 N371 I372K364-S368 VanDerWaalsContact O-CB 3.3Å; K364-S368 WeakPolarHBondContact O-CB 3.47Å; K364-S368 PolarHBondContact O-N 3.07Å; K365-S368 WeakPolarHBondContact O-CB 3.39Å; K365-S368 PolarHBondContact O-N 3.41Å; V366-S368 VanDerWaalsContact C-N 3.29Å; V366-S368 PolarHBondContact O-N 3.31Å; S368-N371 PolarHBondContact O-N 2.92Å; S368-N371 VanDerWaalsContact O-N 3.15Å; S368-I372 WeakPolarHBondContact O-CG1 3.47Å; S368-I372 PolarHBondContact O-N 3.37Å
369I88.6Confident85.4Confident10 Ų1072.7 Ų72.75%0.05136%0.357CS..Hα-helixtrans-58.3-50.5174.8-72.8168.7000110.4K365 V366 N371 I372 V373 L384 A386 L389 V392 L400K365-I369 HydrophobicContact CG-CD1 3.98Å; K365-I369 WeakPolarHBondContact O-CB 3.43Å; K365-I369 VanDerWaalsContact O-CG1 3.3Å; K365-I369 WeakPolarHBondContact O-CG1 3.43Å; K365-I369 PolarHBondContact O-N 2.8Å; V366-I369 PolarHBondContact O-N 3.13Å; I369-N371 VanDerWaalsContact C-N 3.25Å; I369-N371 PolarHBondContact O-N 2.94Å; I369-I372 PolarHBondContact O-N 3.17Å; I369-V373 WeakPolarHBondContact O-CG2 3.5Å; I369-V373 PolarHBondContact O-N 3.06Å; I369-V373 VanDerWaalsContact O-N 3.09Å; I369-L384 HydrophobicContact CB-CD1 4.17Å; I369-L384 HydrophobicContact CG1-CD1 3.78Å; I369-L384 HydrophobicContact CG1-CG 4.1Å; I369-L384 HydrophobicContact CG2-CD1 4.04Å; I369-L384 HydrophobicContact CG2-CD2 4.04Å; I369-L384 HydrophobicContact CG2-CG 4.08Å; I369-A386 HydrophobicContact CD1-CB 4.43Å; I369-L389 HydrophobicContact CG2-CD2 4.49Å; I369-V392 HydrophobicContact CG2-CG1 4.06Å; I369-L400 HydrophobicContact CG2-CD1 3.9Å; I369-L400 HydrophobicContact CG2-CD2 3.99Å
370L89Confident86.3Confident17 Ų1767.2 Ų67.29%0.08934%0.341CS..Hα-helixtrans-57.4-38.7175.6-68.6167.4000111.6V366 K374 V392 D394 L400 I403V366-L370 HydrophobicContact CG1-CD1 3.75Å; V366-L370 HydrophobicContact CG1-CG 4.39Å; V366-L370 WeakPolarHBondContact O-CB 3.34Å; V366-L370 VanDerWaalsContact O-CG 3.25Å; V366-L370 WeakPolarHBondContact O-CG 3.34Å; V366-L370 PolarHBondContact O-N 2.91Å; L370-K374 WeakPolarHBondContact O-CB 3.26Å; L370-K374 VanDerWaalsContact O-CG 3.26Å; L370-K374 WeakPolarHBondContact O-CG 3.43Å; L370-K374 PolarHBondContact O-N 3.34Å; L370-V392 HydrophobicContact CD2-CG1 4.09Å; L370-V392 HydrophobicContact CG-CG1 4.14Å; L370-D394 HydrophobicContact CD1-CB 4.38Å; L370-D394 HydrophobicContact CD2-CB 4.18Å; L370-L400 HydrophobicContact CD2-CD2 3.76Å; L370-I403 HydrophobicContact CD2-CD1 3.31Å
371N90.2Very high86.4Confident88 Ų8864.9 Ų64.947%0.47133%0.325SS..Hα-helixtrans-71-41.1177.3-157.8101.3000112.6K367 S368 I369 V373 K374 E375K367-N371 WeakPolarHBondContact O-CB 3.32Å; K367-N371 PolarHBondContact O-N 2.91Å; S368-N371 PolarHBondContact O-N 2.92Å; S368-N371 VanDerWaalsContact O-N 3.15Å; I369-N371 VanDerWaalsContact C-N 3.25Å; I369-N371 PolarHBondContact O-N 2.94Å; N371-V373 VanDerWaalsContact C-N 3.26Å; N371-V373 PolarHBondContact O-N 3.48Å; N371-K374 PolarHBondContact O-N 2.95Å; N371-E375 WeakPolarHBondContact ND2-CG 3.25Å; N371-E375 WeakPolarHBondContact O-CB 3.48Å; N371-E375 VanDerWaalsContact O-CG 3.27Å; N371-E375 WeakPolarHBondContact O-CG 3.5Å; N371-E375 PolarHBondContact O-N 3.43Å
372I90.1Very high85.9Confident22 Ų2263.9 Ų63.911%0.11333%0.328CS..Hα-helixtrans-56.6-42.7175.3-74.2164.4000110.6S368 I369 G376 Q377 L380 L381 L384S368-I372 WeakPolarHBondContact O-CG1 3.47Å; S368-I372 PolarHBondContact O-N 3.37Å; I369-I372 PolarHBondContact O-N 3.17Å; I372-G376 PolarHBondContact O-N 2.86Å; I372-G376 VanDerWaalsContact O-N 3.15Å; I372-Q377 HydrophobicContact CG2-CB 4.21Å; I372-Q377 PolarHBondContact O-N 3.37Å; I372-L380 HydrophobicContact CD1-CB 4.27Å; I372-L380 HydrophobicContact CD1-CD1 4.2Å; I372-L380 HydrophobicContact CG1-CB 4.49Å; I372-L380 HydrophobicContact CG1-CD1 4.08Å; I372-L380 HydrophobicContact CG2-CB 3.92Å; I372-L381 HydrophobicContact CG2-CD2 4.19Å; I372-L384 HydrophobicContact CB-CD1 4.28Å; I372-L384 HydrophobicContact CD1-CD1 3.98Å; I372-L384 HydrophobicContact CG2-CD1 3.95Å
373V91.1Very high85.2Confident0 Ų066.6 Ų66.60%035%0.345CS..Hα-helixtrans-74.1-40178-179.50000112I369 N371 E375 G376 L381 L384 L400 I403 A404 H409 L416I369-V373 WeakPolarHBondContact O-CG2 3.5Å; I369-V373 PolarHBondContact O-N 3.06Å; I369-V373 VanDerWaalsContact O-N 3.09Å; N371-V373 VanDerWaalsContact C-N 3.26Å; N371-V373 PolarHBondContact O-N 3.48Å; V373-E375 VanDerWaalsContact C-N 3.29Å; V373-E375 PolarHBondContact O-N 3.44Å; V373-G376 PolarHBondContact O-N 3.44Å; V373-G376 VanDerWaalsContact O-N 3.1Å; V373-L381 HydrophobicContact CG2-CD2 4.16Å; V373-L384 HydrophobicContact CG2-CD2 4.44Å; V373-L400 WeakPolarHBondContact CG1-O 3.46Å; V373-L400 HydrophobicContact CG2-CD2 4.26Å; V373-I403 HydrophobicContact CB-CG2 4.38Å; V373-I403 HydrophobicContact CG1-CB 4.17Å; V373-I403 HydrophobicContact CG1-CG2 3.86Å; V373-A404 HydrophobicContact CG1-CB 3.89Å; V373-H409 PolarHBondContact O-CD2 2.87Å; V373-L416 HydrophobicContact CB-CD1 4.48Å; V373-L416 HydrophobicContact CG1-CD1 3.68Å; V373-L416 HydrophobicContact CG2-CD1 3.9Å; V373-L416 HydrophobicContact CG2-CD2 4.37Å
374K90.8Very high84.7Confident74 Ų7462.7 Ų62.732%0.32232%0.324SS..Hα-helixtrans-60.9-36.9174.8-76.3178.7-175.5-166.80112.5L370 N371 D394 I403 Q407 H409L370-K374 WeakPolarHBondContact O-CB 3.26Å; L370-K374 VanDerWaalsContact O-CG 3.26Å; L370-K374 WeakPolarHBondContact O-CG 3.43Å; L370-K374 PolarHBondContact O-N 3.34Å; N371-K374 PolarHBondContact O-N 2.95Å; K374-D394 IonicContact NZ-OD2 2.72Å; K374-D394 PolarHBondContact NZ-OD2 3.5Å; K374-I403 HydrophobicContact CB-CG2 4.37Å; K374-I403 HydrophobicContact CD-CG2 4.24Å; K374-I403 HydrophobicContact CG-CG2 3.33Å; K374-Q407 PolarHBondContact O-NE2 3.47Å; K374-H409 PolarHBondContact O-NE2 3.07Å
375E91.2Very high83.4Confident114 Ų11461.3 Ų61.353%0.53334%0.335SS..THydrogen-bonded Turntrans-84.9-2.8176.3-63.6-67.2141.200114N371 V373 Q377N371-E375 WeakPolarHBondContact ND2-CG 3.25Å; N371-E375 WeakPolarHBondContact O-CB 3.48Å; N371-E375 VanDerWaalsContact O-CG 3.27Å; N371-E375 WeakPolarHBondContact O-CG 3.5Å; N371-E375 PolarHBondContact O-N 3.43Å; V373-E375 VanDerWaalsContact C-N 3.29Å; V373-E375 PolarHBondContact O-N 3.44Å; E375-Q377 VanDerWaalsContact C-N 3.3Å; E375-Q377 HydrophobicContact CB-CG 3.79Å; E375-Q377 PolarHBondContact O-N 2.93Å
376G89.8Confident82.4Confident12 Ų1257.3 Ų57.312%0.12432%0.321CS..THydrogen-bonded Turntrans65.927.3177.800000114.5I372 V373 I378 H409I372-G376 PolarHBondContact O-N 2.86Å; I372-G376 VanDerWaalsContact O-N 3.15Å; V373-G376 PolarHBondContact O-N 3.44Å; V373-G376 VanDerWaalsContact O-N 3.1Å; G376-I378 VanDerWaalsContact C-N 3.26Å; G376-I378 PolarHBondContact O-N 3.43Å; G376-H409 WeakPolarHBondContact CA-CD2 3.43Å; G376-H409 WeakPolarHBondContact CA-NE2 3.33Å; G376-H409 PolarHBondContact N-CD2 3.46Å; G376-H409 PolarHBondContact N-NE2 3.07Å
377Q88.1Confident81.4Confident76 Ų7663.6 Ų63.636%0.35535%0.354SS..  trans-80.170.5-170.5-66.4179.716.800112I372 E375 S379 L380I372-Q377 HydrophobicContact CG2-CB 4.21Å; I372-Q377 PolarHBondContact O-N 3.37Å; E375-Q377 VanDerWaalsContact C-N 3.3Å; E375-Q377 HydrophobicContact CB-CG 3.79Å; E375-Q377 PolarHBondContact O-N 2.93Å; Q377-S379 PolarHBondContact O-N 3.06Å; Q377-S379 VanDerWaalsContact O-N 3.1Å; Q377-L380 HydrophobicContact CB-CD1 4.34Å; Q377-L380 HydrophobicContact CB-CG 4.48Å; Q377-L380 PolarHBondContact O-N 2.87Å
378I84.6Confident80.7Confident48 Ų4861.6 Ų61.625%0.24635%0.349CS..G310 helixtrans-50.1-38-175.8-65.9145.5000113G376 L380 L381 P382 E411 C412G376-I378 VanDerWaalsContact C-N 3.26Å; G376-I378 PolarHBondContact O-N 3.43Å; I378-L380 PolarHBondContact O-N 3.5Å; I378-L380 VanDerWaalsContact O-N 3.12Å; I378-L381 HydrophobicContact CB-CD1 4.31Å; I378-L381 HydrophobicContact CG1-CD1 4.23Å; I378-L381 HydrophobicContact CG2-CD1 4.39Å; I378-L381 WeakPolarHBondContact O-CB 3.47Å; I378-L381 PolarHBondContact O-N 2.93Å; I378-P382 VanDerWaalsContact O-CD 3.25Å; I378-P382 WeakPolarHBondContact O-CD 3.3Å; I378-E411 HydrophobicContact CD1-CB 3.56Å; I378-E411 HydrophobicContact CG1-CB 4.35Å; I378-C412 HydrophobicContact CG1-CB 3.92Å
379S85.6Confident80.4Confident96 Ų9659.1 Ų59.167%0.67133%0.331SS*.G310 helixtrans-62.8-16.6178.255.70000114.7Q377Q377-S379 PolarHBondContact O-N 3.06Å; Q377-S379 VanDerWaalsContact O-N 3.1Å
380L82.4Confident80.1Confident64 Ų6461.4 Ų61.434%0.33534%0.343SS..G310 helixtrans-100-9.7175.2-57.1-177.2000112.9I372 Q377 I378 H383 L384I372-L380 HydrophobicContact CD1-CB 4.27Å; I372-L380 HydrophobicContact CD1-CD1 4.2Å; I372-L380 HydrophobicContact CG1-CB 4.49Å; I372-L380 HydrophobicContact CG1-CD1 4.08Å; I372-L380 HydrophobicContact CG2-CB 3.92Å; Q377-L380 HydrophobicContact CB-CD1 4.34Å; Q377-L380 HydrophobicContact CB-CG 4.48Å; Q377-L380 PolarHBondContact O-N 2.87Å; I378-L380 PolarHBondContact O-N 3.5Å; I378-L380 VanDerWaalsContact O-N 3.12Å; L380-H383 CarbonylContact O-C 3.44Å; L380-H383 WeakPolarHBondContact O-CA 3.21Å; L380-H383 WeakPolarHBondContact O-CB 3.49Å; L380-H383 PolarHBondContact O-N 3.36Å; L380-L384 PolarHBondContact O-N 3.38Å
381L77.9Confident79.8Confident3 Ų366.2 Ų66.22%0.01636%0.363CS..G310 helixtrans-61.8-38.8175.9-57.5174.9000113.1I372 V373 I378 H383 L384 C412 H415 L416I372-L381 HydrophobicContact CG2-CD2 4.19Å; V373-L381 HydrophobicContact CG2-CD2 4.16Å; I378-L381 HydrophobicContact CB-CD1 4.31Å; I378-L381 HydrophobicContact CG1-CD1 4.23Å; I378-L381 HydrophobicContact CG2-CD1 4.39Å; I378-L381 WeakPolarHBondContact O-CB 3.47Å; I378-L381 PolarHBondContact O-N 2.93Å; L381-H383 PolarHBondContact O-N 3.27Å; L381-L384 HydrophobicContact CD2-CD2 3.91Å; L381-L384 WeakPolarHBondContact O-CB 3.3Å; L381-L384 PolarHBondContact O-N 3.3Å; L381-C412 HydrophobicContact CD1-CB 4.21Å; L381-H415 HydrophobicContact CD1-CB 3.86Å; L381-L416 HydrophobicContact CD1-CG 4.49Å; L381-L416 HydrophobicContact CD2-CD2 4.09Å; L381-L416 HydrophobicContact CD2-CG 4.3Å
382P72.6Confident79.7Confident98 Ų9862.2 Ų62.264%0.63634%0.342SS*.G310 helixtrans-64.8-17.7171.5-23.735.4000114.2I378I378-P382 VanDerWaalsContact O-CD 3.25Å; I378-P382 WeakPolarHBondContact O-CD 3.3Å
383H66Low79.6Confident157 Ų15765.2 Ų65.273%0.72736%0.355SS*.G310 helixtrans-96.7-3.1173.7-61-47.6000112.8L380 L381 A385L380-H383 CarbonylContact O-C 3.44Å; L380-H383 WeakPolarHBondContact O-CA 3.21Å; L380-H383 WeakPolarHBondContact O-CB 3.49Å; L380-H383 PolarHBondContact O-N 3.36Å; L381-H383 PolarHBondContact O-N 3.27Å; H383-A385 PolarHBondContact O-N 3.48Å
384L69.7Low79.6Confident8 Ų866.4 Ų66.44%0.04236%0.362CS..  trans-77.76.8174.8-142.682000112.6I369 I372 V373 L380 L381 A386 L389 L400 L416I369-L384 HydrophobicContact CB-CD1 4.17Å; I369-L384 HydrophobicContact CG1-CD1 3.78Å; I369-L384 HydrophobicContact CG1-CG 4.1Å; I369-L384 HydrophobicContact CG2-CD1 4.04Å; I369-L384 HydrophobicContact CG2-CD2 4.04Å; I369-L384 HydrophobicContact CG2-CG 4.08Å; I372-L384 HydrophobicContact CB-CD1 4.28Å; I372-L384 HydrophobicContact CD1-CD1 3.98Å; I372-L384 HydrophobicContact CG2-CD1 3.95Å; V373-L384 HydrophobicContact CG2-CD2 4.44Å; L380-L384 PolarHBondContact O-N 3.38Å; L381-L384 HydrophobicContact CD2-CD2 3.91Å; L381-L384 WeakPolarHBondContact O-CB 3.3Å; L381-L384 PolarHBondContact O-N 3.3Å; L384-A386 VanDerWaalsContact C-N 3.25Å; L384-A386 PolarHBondContact O-N 3.27Å; L384-L389 HydrophobicContact CD2-CD1 4.4Å; L384-L389 HydrophobicContact CD2-CD2 4.05Å; L384-L389 HydrophobicContact CG-CD2 4.26Å; L384-L400 HydrophobicContact CD2-CD1 4.33Å; L384-L416 HydrophobicContact CD2-CD2 3.94Å
385A58.7Low79.5Confident91 Ų9170.8 Ų70.875%0.75238%0.383SS*.  trans-58.384.4179.700000111.3H383H383-A385 PolarHBondContact O-N 3.48Å
386A62.7Low79.5Confident20 Ų2069.4 Ų69.417%0.16538%0.38CS..  trans-125.3127.3174.500000106.2I369 L384 N388 L389I369-A386 HydrophobicContact CD1-CB 4.43Å; L384-A386 VanDerWaalsContact C-N 3.25Å; L384-A386 PolarHBondContact O-N 3.27Å; A386-N388 PolarHBondContact O-N 3.34Å; A386-L389 HydrophobicContact CB-CD2 4.42Å
387D64.8Low79.6Confident150 Ų15070.2 Ų70.280%0.80239%0.388SS*.SBendtrans-59.1139.5171.2-45.5-76.7000108.7
388N73.3Confident79.8Confident80 Ų8067.3 Ų67.343%0.42838%0.375SS..  trans72.750.4-177.6-38.6-101.8000116A386 D390 K391A386-N388 PolarHBondContact O-N 3.34Å; N388-D390 VanDerWaalsContact C-N 3.27Å; N388-D390 WeakPolarHBondContact CA-OD1 3.4Å; N388-D390 WeakPolarHBondContact CB-OD1 3.46Å; N388-K391 HydrophobicContact CB-CB 4.31Å; N388-K391 HydrophobicContact CB-CD 3.94Å; N388-K391 HydrophobicContact CB-CG 4.48Å; N388-K391 PolarHBondContact O-N 3.49Å; N388-K391 WeakPolarHBondContact OD1-CE 3.47Å; N388-K391 PolarHBondContact OD1-NZ 3.22Å
389L81.6Confident80.1Confident14 Ų1465 Ų657%0.07336%0.364CS..SBendtrans-66.1-28169.8-73.4177.2000113.3I369 L384 A386 K391 V392 L400 L419 M420I369-L389 HydrophobicContact CG2-CD2 4.49Å; L384-L389 HydrophobicContact CD2-CD1 4.4Å; L384-L389 HydrophobicContact CD2-CD2 4.05Å; L384-L389 HydrophobicContact CG-CD2 4.26Å; A386-L389 HydrophobicContact CB-CD2 4.42Å; L389-K391 VanDerWaalsContact C-N 3.27Å; L389-K391 PolarHBondContact O-N 2.83Å; L389-V392 WeakPolarHBondContact O-CB 3.47Å; L389-V392 PolarHBondContact O-N 3.14Å; L389-L400 HydrophobicContact CB-CD1 4.3Å; L389-L400 HydrophobicContact CD2-CD1 3.89Å; L389-L419 HydrophobicContact CD1-CB 4.28Å; L389-M420 HydrophobicContact CB-CG 3.89Å; L389-M420 HydrophobicContact CB-SD 4.44Å
390D81.8Confident80.4Confident58 Ų5860.5 Ų60.531%0.3133%0.332SS..THydrogen-bonded Turntrans-50.4-45.3170.661.6-36.5000111.8N388 V392 H393N388-D390 VanDerWaalsContact C-N 3.27Å; N388-D390 WeakPolarHBondContact CA-OD1 3.4Å; N388-D390 WeakPolarHBondContact CB-OD1 3.46Å; D390-V392 PolarHBondContact O-N 3.2Å; D390-H393 PolarHBondContact O-CE1 3.45Å; D390-H393 PolarHBondContact O-NE2 2.89Å
391K83.1Confident81Confident117 Ų11757.4 Ų57.451%0.50932%0.316SS..THydrogen-bonded Turntrans-79.66.5-176.2-67.6162.5-139176.20113.9N388 L389 H393N388-K391 HydrophobicContact CB-CB 4.31Å; N388-K391 HydrophobicContact CB-CD 3.94Å; N388-K391 HydrophobicContact CB-CG 4.48Å; N388-K391 PolarHBondContact O-N 3.49Å; N388-K391 WeakPolarHBondContact OD1-CE 3.47Å; N388-K391 PolarHBondContact OD1-NZ 3.22Å; L389-K391 VanDerWaalsContact C-N 3.27Å; L389-K391 PolarHBondContact O-N 2.83Å; K391-H393 PolarHBondContact O-CD2 2.94Å; K391-H393 PolarHBondContact O-N 3.39Å
392V87.2Confident81.7Confident5 Ų557.3 Ų57.33%0.0332%0.315CS..  trans-9592.1180-173.40000110V366 I369 L370 L389 D390 L400V366-V392 HydrophobicContact CG1-CG1 4.14Å; I369-V392 HydrophobicContact CG2-CG1 4.06Å; L370-V392 HydrophobicContact CD2-CG1 4.09Å; L370-V392 HydrophobicContact CG-CG1 4.14Å; L389-V392 WeakPolarHBondContact O-CB 3.47Å; L389-V392 PolarHBondContact O-N 3.14Å; D390-V392 PolarHBondContact O-N 3.2Å; V392-L400 HydrophobicContact CB-CD1 4.29Å; V392-L400 HydrophobicContact CB-CD2 4.2Å; V392-L400 HydrophobicContact CB-CG 4.19Å; V392-L400 HydrophobicContact CG1-CD2 3.78Å; V392-L400 HydrophobicContact CG1-CG 4.32Å
393H89.3Confident82.7Confident84 Ų8452.7 Ų52.739%0.38929%0.285SS..  trans-109157.7176.6-42.9-77.6000112.1D390 K391 N398 E427D390-H393 PolarHBondContact O-CE1 3.45Å; D390-H393 PolarHBondContact O-NE2 2.89Å; K391-H393 PolarHBondContact O-CD2 2.94Å; K391-H393 PolarHBondContact O-N 3.39Å; H393-N398 CarbonylContact C-O 3.52Å; H393-N398 WeakPolarHBondContact CA-O 3.35Å; H393-E427 IonicContact CE1-OE2 2.66Å
394D89.9Confident84.1Confident25 Ų2545.2 Ų45.213%0.13425%0.25CS..  trans-93.1-176.1167.6804.5000113.8L370 K374 N396 G397 N398 I403L370-D394 HydrophobicContact CD1-CB 4.38Å; L370-D394 HydrophobicContact CD2-CB 4.18Å; K374-D394 IonicContact NZ-OD2 2.72Å; K374-D394 PolarHBondContact NZ-OD2 3.5Å; D394-N396 PolarHBondContact O-N 2.97Å; D394-N396 VanDerWaalsContact O-N 3.09Å; D394-N396 WeakPolarHBondContact OD1-CB 3.31Å; D394-N396 PolarHBondContact OD1-N 3.29Å; D394-G397 PolarHBondContact O-N 2.65Å; D394-N398 PolarHBondContact N-O 2.59Å; D394-N398 VanDerWaalsContact OD1-CB 3.3Å; D394-N398 WeakPolarHBondContact OD1-CB 3.33Å; D394-N398 PolarHBondContact OD1-N 2.96Å; D394-N398 PolarHBondContact OD1-ND2 3.3Å; D394-N398 PolarHBondContact OD2-ND2 2.87Å; D394-I403 HydrophobicContact CB-CD1 4.16Å
395E90Very high85.3Confident166 Ų16644.9 Ų44.978%0.77625%0.248SC*.THydrogen-bonded Turntrans-66.7-8.4-175.2-62.9170.3-166.800113K367K367-E395 IonicContact NZ-OE1 3.94Å; K367-E395 PolarHBondContact NZ-OE1 2.9Å
396N90.8Very high87.1Confident86 Ų8641.2 Ų41.246%0.4622%0.218SC..THydrogen-bonded Turntrans-107.612.9172.8-61.8104.6000112.8D394 N398 T430D394-N396 PolarHBondContact O-N 2.97Å; D394-N396 VanDerWaalsContact O-N 3.09Å; D394-N396 WeakPolarHBondContact OD1-CB 3.31Å; D394-N396 PolarHBondContact OD1-N 3.29Å; N396-N398 PolarHBondContact O-N 2.79Å; N396-T430 WeakPolarHBondContact O-CG2 3.31Å; N396-T430 PolarHBondContact O-N 2.68Å; N396-T430 VanDerWaalsContact O-N 3.1Å; N396-T430 PolarHBondContact O-OG1 3.29Å
397G90.9Very high88.6Confident29 Ų2944.5 Ų44.530%0.29923%0.23SC..  trans66.815.3-176.800000114D394 N399D394-G397 PolarHBondContact O-N 2.65Å; G397-N399 PolarHBondContact O-N 3.12Å
398N92.3Very high90Very high15 Ų1538.6 Ų38.68%0.0820%0.204CC..  trans-72.6122.3173.4-60.4-51000108.9H393 D394 N396 H402 I403 N429 L438H393-N398 CarbonylContact C-O 3.52Å; H393-N398 WeakPolarHBondContact CA-O 3.35Å; D394-N398 PolarHBondContact N-O 2.59Å; D394-N398 VanDerWaalsContact OD1-CB 3.3Å; D394-N398 WeakPolarHBondContact OD1-CB 3.33Å; D394-N398 PolarHBondContact OD1-N 2.96Å; D394-N398 PolarHBondContact OD1-ND2 3.3Å; D394-N398 PolarHBondContact OD2-ND2 2.87Å; N396-N398 PolarHBondContact O-N 2.79Å; N398-H402 HydrophobicContact CB-CB 3.61Å; N398-I403 HydrophobicContact CB-CD1 4.39Å; N398-I403 HydrophobicContact CB-CG1 3.83Å; N398-N429 WeakPolarHBondContact OD1-CB 3.46Å; N398-N429 PolarHBondContact OD1-ND2 2.71Å; N398-L438 WeakPolarHBondContact OD1-CD2 3.3Å
399N92.5Very high91Very high0 Ų037.3 Ų37.30%020%0.195CC..  trans-69.6177164.373.720.8000111.1G397 L401 H402 I403 M420 C424 E427G397-N399 PolarHBondContact O-N 3.12Å; N399-L401 VanDerWaalsContact C-N 3.26Å; N399-L401 PolarHBondContact O-N 3.23Å; N399-L401 WeakPolarHBondContact OD1-CA 3.48Å; N399-L401 WeakPolarHBondContact OD1-CB 3.31Å; N399-L401 PolarHBondContact OD1-N 3.33Å; N399-H402 WeakPolarHBondContact CB-CE1 3.44Å; N399-H402 PolarHBondContact N-CE1 3.21Å; N399-H402 PolarHBondContact N-ND1 3.08Å; N399-H402 PolarHBondContact ND2-CE1 3.41Å; N399-H402 PolarHBondContact ND2-ND1 3.05Å; N399-H402 PolarHBondContact ND2-NE2 3.03Å; N399-H402 WeakPolarHBondContact O-CB 3.34Å; N399-H402 PolarHBondContact O-N 3.42Å; N399-H402 CovalentContact OD1-CE1 1.87Å; N399-H402 PolarHBondContact OD1-CE1 3.45Å; N399-H402 PolarHBondContact OD1-N 2.68Å; N399-H402 PolarHBondContact OD1-ND1 3.11Å; N399-I403 WeakPolarHBondContact O-CG1 3.27Å; N399-I403 PolarHBondContact O-N 3.48Å; N399-I403 VanDerWaalsContact O-N 3.16Å; N399-M420 HydrophobicContact CB-CE 4.43Å; N399-C424 PolarHBondContact ND2-O 2.95Å; N399-E427 VanDerWaalsContact ND2-CD 3.33Å; N399-E427 PolarHBondContact ND2-OE2 2.91Å
400L91.8Very high91.6Very high0 Ų037.7 Ų37.70%020%0.2CC..Hα-helixtrans-62.1-30.3-178.7-56.5-178.6000113.8I369 L370 V373 L384 L389 V392 I403 A404 L416 M420I369-L400 HydrophobicContact CG2-CD1 3.9Å; I369-L400 HydrophobicContact CG2-CD2 3.99Å; L370-L400 HydrophobicContact CD2-CD2 3.76Å; V373-L400 WeakPolarHBondContact CG1-O 3.46Å; V373-L400 HydrophobicContact CG2-CD2 4.26Å; L384-L400 HydrophobicContact CD2-CD1 4.33Å; L389-L400 HydrophobicContact CB-CD1 4.3Å; L389-L400 HydrophobicContact CD2-CD1 3.89Å; V392-L400 HydrophobicContact CB-CD1 4.29Å; V392-L400 HydrophobicContact CB-CD2 4.2Å; V392-L400 HydrophobicContact CB-CG 4.19Å; V392-L400 HydrophobicContact CG1-CD2 3.78Å; V392-L400 HydrophobicContact CG1-CG 4.32Å; L400-I403 PolarHBondContact O-N 2.99Å; L400-A404 PolarHBondContact O-N 3.43Å; L400-L416 HydrophobicContact CB-CD1 4.13Å; L400-L416 HydrophobicContact CB-CD2 4.31Å; L400-L416 HydrophobicContact CD1-CD2 4.15Å; L400-M420 HydrophobicContact CB-CE 4.21Å; L400-M420 HydrophobicContact CB-SD 3.82Å; L400-M420 HydrophobicContact CD1-SD 4.2Å; L400-M420 HydrophobicContact CG-SD 4.36Å
401L93.7Very high92.1Very high0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-69.9-46.1177.2-52.7-175.1000111.1N399 I403 A404 A405 L413 L416 M420 C424 L425 P435N399-L401 VanDerWaalsContact C-N 3.26Å; N399-L401 PolarHBondContact O-N 3.23Å; N399-L401 WeakPolarHBondContact OD1-CA 3.48Å; N399-L401 WeakPolarHBondContact OD1-CB 3.31Å; N399-L401 PolarHBondContact OD1-N 3.33Å; L401-I403 PolarHBondContact O-N 3.32Å; L401-A404 PolarHBondContact O-N 2.95Å; L401-A405 WeakPolarHBondContact O-CB 3.38Å; L401-A405 PolarHBondContact O-N 3.01Å; L401-L413 HydrophobicContact CB-CD1 3.85Å; L401-L413 HydrophobicContact CD2-CD1 4.09Å; L401-L413 WeakPolarHBondContact O-CD1 3.31Å; L401-L416 HydrophobicContact CD2-CB 3.36Å; L401-M420 HydrophobicContact CD2-SD 3.88Å; L401-M420 HydrophobicContact CG-CE 4.26Å; L401-M420 HydrophobicContact CG-SD 4.02Å; L401-C424 HydrophobicContact CD1-CB 3.56Å; L401-C424 HydrophobicContact CG-CB 4.39Å; L401-L425 HydrophobicContact CB-CD2 4.22Å; L401-L425 HydrophobicContact CD1-CD2 3.65Å; L401-L425 HydrophobicContact CD1-CG 3.9Å; L401-L425 HydrophobicContact CG-CD2 4.5Å; L401-P435 HydrophobicContact CB-CB 4.33Å; L401-P435 HydrophobicContact CB-CG 3.97Å
402H94.1Very high92.5Very high1 Ų135.2 Ų35.21%0.00519%0.188CC..Hα-helixtrans-51.7-45.2171.4-73.786000111.1N398 N399 S406 E427 P435 L438N398-H402 HydrophobicContact CB-CB 3.61Å; N399-H402 WeakPolarHBondContact CB-CE1 3.44Å; N399-H402 PolarHBondContact N-CE1 3.21Å; N399-H402 PolarHBondContact N-ND1 3.08Å; N399-H402 PolarHBondContact ND2-CE1 3.41Å; N399-H402 PolarHBondContact ND2-ND1 3.05Å; N399-H402 PolarHBondContact ND2-NE2 3.03Å; N399-H402 WeakPolarHBondContact O-CB 3.34Å; N399-H402 PolarHBondContact O-N 3.42Å; N399-H402 CovalentContact OD1-CE1 1.87Å; N399-H402 PolarHBondContact OD1-CE1 3.45Å; N399-H402 PolarHBondContact OD1-N 2.68Å; N399-H402 PolarHBondContact OD1-ND1 3.11Å; H402-S406 VanDerWaalsContact O-CB 3.23Å; H402-S406 WeakPolarHBondContact O-CB 3.43Å; H402-S406 PolarHBondContact O-N 3.49Å; H402-S406 PolarHBondContact O-OG 3.25Å; H402-E427 WeakPolarHBondContact NE2-CB 3.42Å; H402-E427 PolarHBondContact NE2-O 3.36Å; H402-P435 HydrophobicContact CB-CG 4.42Å; H402-L438 HydrophobicContact CB-CD2 3.91Å
403I93.6Very high92.8Very high1 Ų135 Ų351%0.00519%0.187CC..Hα-helixtrans-65.8-51.6-178.9-66168.9000111.1L370 V373 K374 D394 N398 N399 L400 L401 A405 S406 Q407L370-I403 HydrophobicContact CD2-CD1 3.31Å; V373-I403 HydrophobicContact CB-CG2 4.38Å; V373-I403 HydrophobicContact CG1-CB 4.17Å; V373-I403 HydrophobicContact CG1-CG2 3.86Å; K374-I403 HydrophobicContact CB-CG2 4.37Å; K374-I403 HydrophobicContact CD-CG2 4.24Å; K374-I403 HydrophobicContact CG-CG2 3.33Å; D394-I403 HydrophobicContact CB-CD1 4.16Å; N398-I403 HydrophobicContact CB-CD1 4.39Å; N398-I403 HydrophobicContact CB-CG1 3.83Å; N399-I403 WeakPolarHBondContact O-CG1 3.27Å; N399-I403 PolarHBondContact O-N 3.48Å; N399-I403 VanDerWaalsContact O-N 3.16Å; L400-I403 PolarHBondContact O-N 2.99Å; L401-I403 PolarHBondContact O-N 3.32Å; I403-A405 VanDerWaalsContact C-N 3.31Å; I403-A405 PolarHBondContact O-N 3.36Å; I403-S406 PolarHBondContact O-N 3.45Å; I403-S406 PolarHBondContact O-OG 2.84Å; I403-Q407 WeakPolarHBondContact O-CG 3.41Å; I403-Q407 PolarHBondContact O-N 2.97Å
404A94.5Very high92.9Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-58.9-42.9177.400000112.1V373 L400 L401 Q407 G408 H409 C412 L413 L416V373-A404 HydrophobicContact CG1-CB 3.89Å; L400-A404 PolarHBondContact O-N 3.43Å; L401-A404 PolarHBondContact O-N 2.95Å; A404-Q407 PolarHBondContact O-N 3.45Å; A404-G408 PolarHBondContact O-N 3.27Å; A404-G408 VanDerWaalsContact O-N 3.17Å; A404-H409 PolarHBondContact O-N 2.69Å; A404-H409 VanDerWaalsContact O-N 3.08Å; A404-C412 HydrophobicContact CB-CB 4.44Å; A404-L413 HydrophobicContact CB-CB 4.06Å; A404-L413 HydrophobicContact CB-CD1 4.23Å; A404-L416 HydrophobicContact CB-CD1 4.01Å
405A95.4Very high93Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-65-41.2178.600000112.2L401 I403 Q407 G408 L413 P435 A439 Q444 M451L401-A405 WeakPolarHBondContact O-CB 3.38Å; L401-A405 PolarHBondContact O-N 3.01Å; I403-A405 VanDerWaalsContact C-N 3.31Å; I403-A405 PolarHBondContact O-N 3.36Å; A405-Q407 VanDerWaalsContact C-N 3.3Å; A405-Q407 PolarHBondContact O-N 2.9Å; A405-G408 PolarHBondContact O-N 2.88Å; A405-L413 HydrophobicContact CB-CD1 4.16Å; A405-L413 HydrophobicContact CB-CD2 4.15Å; A405-P435 HydrophobicContact CB-CB 3.94Å; A405-P435 WeakPolarHBondContact CB-O 3.23Å; A405-A439 HydrophobicContact CB-CB 4.07Å; A405-Q444 WeakPolarHBondContact O-CB 3.28Å; A405-Q444 WeakPolarHBondContact O-CG 3.31Å; A405-M451 HydrophobicContact CB-CE 4.09Å
406S94.9Very high93Very high15 Ų1529.9 Ų29.911%0.10516%0.162CC..Hα-helixtrans-64.5-30.8176.576.20000113.6H402 I403 N442 Q444H402-S406 VanDerWaalsContact O-CB 3.23Å; H402-S406 WeakPolarHBondContact O-CB 3.43Å; H402-S406 PolarHBondContact O-N 3.49Å; H402-S406 PolarHBondContact O-OG 3.25Å; I403-S406 PolarHBondContact O-N 3.45Å; I403-S406 PolarHBondContact O-OG 2.84Å; S406-N442 WeakPolarHBondContact CB-ND2 3.28Å; S406-N442 WeakPolarHBondContact O-CB 3.47Å; S406-N442 PolarHBondContact O-ND2 3.19Å; S406-Q444 WeakPolarHBondContact O-CG 3.49Å; S406-Q444 PolarHBondContact O-NE2 2.87Å
407Q94.4Very high93Very high89 Ų8926.3 Ų26.342%0.41614%0.143SC..Hα-helixtrans-91.9-10-177.5-65.3-74.690.400113.3K374 I403 A404 A405 H409 Q444K374-Q407 PolarHBondContact O-NE2 3.47Å; I403-Q407 WeakPolarHBondContact O-CG 3.41Å; I403-Q407 PolarHBondContact O-N 2.97Å; A404-Q407 PolarHBondContact O-N 3.45Å; A405-Q407 VanDerWaalsContact C-N 3.3Å; A405-Q407 PolarHBondContact O-N 2.9Å; Q407-H409 WeakPolarHBondContact CB-CD2 3.41Å; Q407-Q444 PolarHBondContact O-NE2 3.32Å
408G94.1Very high92.9Very high25 Ų2529.7 Ų29.726%0.25816%0.163SC..THydrogen-bonded Turntrans8511179.600000114.9A404 A405 A410A404-G408 PolarHBondContact O-N 3.27Å; A404-G408 VanDerWaalsContact O-N 3.17Å; A405-G408 PolarHBondContact O-N 2.88Å; G408-A410 VanDerWaalsContact C-N 3.3Å; G408-A410 PolarHBondContact O-N 3.28Å
409H95.2Very high92.7Very high54 Ų5433.7 Ų33.725%0.2518%0.184CC..  trans-81.670-175.1-59.4-50.4000111.3V373 K374 G376 A404 Q407 E411 C412 L413V373-H409 PolarHBondContact O-CD2 2.87Å; K374-H409 PolarHBondContact O-NE2 3.07Å; G376-H409 WeakPolarHBondContact CA-CD2 3.43Å; G376-H409 WeakPolarHBondContact CA-NE2 3.33Å; G376-H409 PolarHBondContact N-CD2 3.46Å; G376-H409 PolarHBondContact N-NE2 3.07Å; A404-H409 PolarHBondContact O-N 2.69Å; A404-H409 VanDerWaalsContact O-N 3.08Å; Q407-H409 WeakPolarHBondContact CB-CD2 3.41Å; H409-E411 PolarHBondContact O-N 2.88Å; H409-C412 HydrophobicContact CB-CB 3.55Å; H409-C412 WeakPolarHBondContact O-CA 3.48Å; H409-C412 VanDerWaalsContact O-CB 3.28Å; H409-C412 WeakPolarHBondContact O-CB 3.41Å; H409-C412 PolarHBondContact O-N 3.07Å; H409-L413 PolarHBondContact O-N 3.26Å
410A93.8Very high92.4Very high21 Ų2135 Ų3517%0.17419%0.19CC..Hα-helixtrans-56.8-41.1-17300000114.3G408 L413 Q414 E446G408-A410 VanDerWaalsContact C-N 3.3Å; G408-A410 PolarHBondContact O-N 3.28Å; A410-L413 WeakPolarHBondContact O-CB 3.28Å; A410-L413 PolarHBondContact O-N 3.49Å; A410-Q414 WeakPolarHBondContact O-CG 3.38Å; A410-Q414 PolarHBondContact O-N 3.33Å; A410-E446 HydrophobicContact CB-CB 4.26Å
411E92.6Very high92.1Very high123 Ų12336.5 Ų36.558%0.57521%0.206SC*.Hα-helixtrans-66.1-36.7174.2-67.9175.5-164.500112.1I378 H409 H415I378-E411 HydrophobicContact CD1-CB 3.56Å; I378-E411 HydrophobicContact CG1-CB 4.35Å; H409-E411 PolarHBondContact O-N 2.88Å; E411-H415 PolarHBondContact O-CD2 3.43Å; E411-H415 PolarHBondContact O-N 2.93Å; E411-H415 VanDerWaalsContact O-N 3.08Å
412C92Very high91.8Very high0 Ų041.4 Ų41.40%023%0.228CC..Hα-helixtrans-66.4-41174.6-175.80000111.2I378 L381 A404 H409 H415 L416I378-C412 HydrophobicContact CG1-CB 3.92Å; L381-C412 HydrophobicContact CD1-CB 4.21Å; A404-C412 HydrophobicContact CB-CB 4.44Å; H409-C412 HydrophobicContact CB-CB 3.55Å; H409-C412 WeakPolarHBondContact O-CA 3.48Å; H409-C412 VanDerWaalsContact O-CB 3.28Å; H409-C412 WeakPolarHBondContact O-CB 3.41Å; H409-C412 PolarHBondContact O-N 3.07Å; C412-H415 PolarHBondContact O-N 2.98Å; C412-L416 WeakPolarHBondContact O-CB 3.4Å; C412-L416 WeakPolarHBondContact O-CD1 3.36Å; C412-L416 VanDerWaalsContact O-CG 3.25Å; C412-L416 WeakPolarHBondContact O-CG 3.22Å; C412-L416 PolarHBondContact O-N 3.37Å
413L93.1Very high91.4Very high0 Ų047.7 Ų47.70%026%0.262CS..Hα-helixtrans-61.7-50.6176.6-178.565.7000110.8L401 A404 A405 H409 A410 H415 L416 T417 C447 W450 M451L401-L413 HydrophobicContact CB-CD1 3.85Å; L401-L413 HydrophobicContact CD2-CD1 4.09Å; L401-L413 WeakPolarHBondContact O-CD1 3.31Å; A404-L413 HydrophobicContact CB-CB 4.06Å; A404-L413 HydrophobicContact CB-CD1 4.23Å; A405-L413 HydrophobicContact CB-CD1 4.16Å; A405-L413 HydrophobicContact CB-CD2 4.15Å; H409-L413 PolarHBondContact O-N 3.26Å; A410-L413 WeakPolarHBondContact O-CB 3.28Å; A410-L413 PolarHBondContact O-N 3.49Å; L413-H415 PolarHBondContact O-N 2.96Å; L413-L416 PolarHBondContact O-N 3.02Å; L413-L416 VanDerWaalsContact O-N 3.16Å; L413-T417 PolarHBondContact O-N 2.88Å; L413-T417 PolarHBondContact O-OG1 3.27Å; L413-C447 HydrophobicContact CD2-CB 3.9Å; L413-W450 HydrophobicContact CD2-CE3 3.92Å; L413-W450 HydrophobicContact CD2-CZ3 4.11Å; L413-W450 HydrophobicContact CG-CE3 4.11Å; L413-W450 HydrophobicContact CG-CZ3 3.88Å; L413-M451 HydrophobicContact CD2-CE 3.92Å; L413-M451 HydrophobicContact CD2-CG 4.01Å; L413-M451 HydrophobicContact CD2-SD 3.97Å
414Q92.1Very high91.1Very high75 Ų7547.9 Ų47.935%0.3526%0.264SS..Hα-helixtrans-53.5-49.4174.8-76.9167.10.200112.5A410 L416 S418 W450A410-Q414 WeakPolarHBondContact O-CG 3.38Å; A410-Q414 PolarHBondContact O-N 3.33Å; Q414-L416 PolarHBondContact O-N 3.39Å; Q414-S418 PolarHBondContact O-N 3.16Å; Q414-S418 VanDerWaalsContact O-N 3.15Å; Q414-W450 HydrophobicContact CB-CZ2 4.5Å; Q414-W450 HydrophobicContact CG-CD2 3.59Å; Q414-W450 VanDerWaalsContact CG-CE2 3.44Å; Q414-W450 HydrophobicContact CG-CE3 4.1Å; Q414-W450 HydrophobicContact CG-CG 4Å; Q414-W450 HydrophobicContact CG-CH2 4.32Å; Q414-W450 HydrophobicContact CG-CZ2 3.84Å; Q414-W450 HydrophobicContact CG-CZ3 4.44Å
415H90.4Very high90.8Very high94 Ų9448.1 Ų48.144%0.43527%0.265SS..Hα-helixtrans-67.3-33.7179-75.5-52.1000113.2L381 E411 C412 L413 L419L381-H415 HydrophobicContact CD1-CB 3.86Å; E411-H415 PolarHBondContact O-CD2 3.43Å; E411-H415 PolarHBondContact O-N 2.93Å; E411-H415 VanDerWaalsContact O-N 3.08Å; C412-H415 PolarHBondContact O-N 2.98Å; L413-H415 PolarHBondContact O-N 2.96Å; H415-L419 WeakPolarHBondContact O-CG 3.46Å; H415-L419 PolarHBondContact O-N 2.89Å
416L89.8Confident90.5Very high0 Ų052 Ų520%029%0.285CS..Hα-helixtrans-73.1-41.5175.9-74.5165.4000112.4V373 L381 L384 L400 L401 A404 C412 L413 Q414 S418 L419 M420V373-L416 HydrophobicContact CB-CD1 4.48Å; V373-L416 HydrophobicContact CG1-CD1 3.68Å; V373-L416 HydrophobicContact CG2-CD1 3.9Å; V373-L416 HydrophobicContact CG2-CD2 4.37Å; L381-L416 HydrophobicContact CD1-CG 4.49Å; L381-L416 HydrophobicContact CD2-CD2 4.09Å; L381-L416 HydrophobicContact CD2-CG 4.3Å; L384-L416 HydrophobicContact CD2-CD2 3.94Å; L400-L416 HydrophobicContact CB-CD1 4.13Å; L400-L416 HydrophobicContact CB-CD2 4.31Å; L400-L416 HydrophobicContact CD1-CD2 4.15Å; L401-L416 HydrophobicContact CD2-CB 3.36Å; A404-L416 HydrophobicContact CB-CD1 4.01Å; C412-L416 WeakPolarHBondContact O-CB 3.4Å; C412-L416 WeakPolarHBondContact O-CD1 3.36Å; C412-L416 VanDerWaalsContact O-CG 3.25Å; C412-L416 WeakPolarHBondContact O-CG 3.22Å; C412-L416 PolarHBondContact O-N 3.37Å; L413-L416 PolarHBondContact O-N 3.02Å; L413-L416 VanDerWaalsContact O-N 3.16Å; Q414-L416 PolarHBondContact O-N 3.39Å; L416-S418 VanDerWaalsContact C-N 3.26Å; L416-S418 PolarHBondContact O-N 2.96Å; L416-L419 CarbonylContact O-C 3.56Å; L416-L419 WeakPolarHBondContact O-CA 3.48Å; L416-L419 PolarHBondContact O-N 3.01Å; L416-M420 HydrophobicContact CB-SD 4.32Å; L416-M420 HydrophobicContact CD2-SD 4.4Å; L416-M420 WeakPolarHBondContact O-CB 3.38Å; L416-M420 WeakPolarHBondContact O-CG 3.47Å; L416-M420 PolarHBondContact O-N 3.07Å
417T91Very high90.3Very high10 Ų1054.2 Ų54.26%0.06129%0.294CS..Hα-helixtrans-59.9-39.5174.4-58.90000110.7L413 L419 M420 G421 E422 L425 W450L413-T417 PolarHBondContact O-N 2.88Å; L413-T417 PolarHBondContact O-OG1 3.27Å; T417-L419 PolarHBondContact O-N 3.4Å; T417-L419 VanDerWaalsContact O-N 3.13Å; T417-M420 PolarHBondContact O-N 3.07Å; T417-G421 WeakPolarHBondContact O-CA 3.44Å; T417-G421 PolarHBondContact O-N 3.06Å; T417-E422 HydrophobicContact CG2-CB 4.47Å; T417-E422 HydrophobicContact CG2-CG 3.68Å; T417-L425 HydrophobicContact CG2-CD1 4.04Å; T417-W450 HydrophobicContact CG2-CH2 4.04Å
418S89.4Confident90.1Very high101 Ų10153.5 Ų53.571%0.70629%0.288SS*.Hα-helixtrans-65.2-10.6173-175.60000114.9Q414 L416Q414-S418 PolarHBondContact O-N 3.16Å; Q414-S418 VanDerWaalsContact O-N 3.15Å; L416-S418 VanDerWaalsContact C-N 3.26Å; L416-S418 PolarHBondContact O-N 2.96Å
419L87.4Confident90Very high99 Ų9952.8 Ų52.852%0.51828%0.278SS..Hα-helixtrans-110.5-25.6178.1-69.7171000113.3L389 H415 L416 T417L389-L419 HydrophobicContact CD1-CB 4.28Å; H415-L419 WeakPolarHBondContact O-CG 3.46Å; H415-L419 PolarHBondContact O-N 2.89Å; L416-L419 CarbonylContact O-C 3.56Å; L416-L419 WeakPolarHBondContact O-CA 3.48Å; L416-L419 PolarHBondContact O-N 3.01Å; T417-L419 PolarHBondContact O-N 3.4Å; T417-L419 VanDerWaalsContact O-N 3.13Å
420M86.8Confident89.9Confident28 Ų2855 Ų5514%0.13830%0.295CS..Hα-helixtrans-104.1-21.9-176.1-64.7173.266.800113.2L389 N399 L400 L401 L416 T417 C424L389-M420 HydrophobicContact CB-CG 3.89Å; L389-M420 HydrophobicContact CB-SD 4.44Å; N399-M420 HydrophobicContact CB-CE 4.43Å; L400-M420 HydrophobicContact CB-CE 4.21Å; L400-M420 HydrophobicContact CB-SD 3.82Å; L400-M420 HydrophobicContact CD1-SD 4.2Å; L400-M420 HydrophobicContact CG-SD 4.36Å; L401-M420 HydrophobicContact CD2-SD 3.88Å; L401-M420 HydrophobicContact CG-CE 4.26Å; L401-M420 HydrophobicContact CG-SD 4.02Å; L416-M420 HydrophobicContact CB-SD 4.32Å; L416-M420 HydrophobicContact CD2-SD 4.4Å; L416-M420 WeakPolarHBondContact O-CB 3.38Å; L416-M420 WeakPolarHBondContact O-CG 3.47Å; L416-M420 PolarHBondContact O-N 3.07Å; T417-M420 PolarHBondContact O-N 3.07Å; M420-C424 HydrophobicContact CB-CB 4.45Å; M420-C424 HydrophobicContact CE-CB 4.22Å
421G85.6Confident89.8Confident31 Ų3158.3 Ų58.332%0.3231%0.307SS..  trans92.8164.3-168.100000112.6T417T417-G421 WeakPolarHBondContact O-CA 3.44Å; T417-G421 PolarHBondContact O-N 3.06Å
422E86.8Confident89.7Confident103 Ų10358.8 Ų58.848%0.48131%0.307SS..SBendtrans-78.9-23179.6-71.8176.6-126.600112.7T417 C424 L425T417-E422 HydrophobicContact CG2-CB 4.47Å; T417-E422 HydrophobicContact CG2-CG 3.68Å; E422-C424 PolarHBondContact O-N 2.85Å; E422-C424 VanDerWaalsContact O-N 3.15Å; E422-L425 VanDerWaalsContact O-CB 3.26Å; E422-L425 WeakPolarHBondContact O-CB 3.35Å; E422-L425 PolarHBondContact O-N 2.94Å
423D86.4Confident89.7Confident132 Ų13259 Ų5971%0.70631%0.308SS*.G310 helixtrans-54.7-35.9177.7-63.3-60.8000112.6L425 N426D423-L425 PolarHBondContact O-N 3.07Å; D423-L425 VanDerWaalsContact O-N 3.12Å; D423-N426 WeakPolarHBondContact O-CB 3.49Å; D423-N426 PolarHBondContact O-N 3.01Å
424C87.1Confident89.8Confident6 Ų659 Ų594%0.04131%0.308CS..G310 helixtrans-66.6-8.9177.4-65.70000113.9N399 L401 M420 E422 E427N399-C424 PolarHBondContact ND2-O 2.95Å; L401-C424 HydrophobicContact CD1-CB 3.56Å; L401-C424 HydrophobicContact CG-CB 4.39Å; M420-C424 HydrophobicContact CB-CB 4.45Å; M420-C424 HydrophobicContact CE-CB 4.22Å; E422-C424 PolarHBondContact O-N 2.85Å; E422-C424 VanDerWaalsContact O-N 3.15Å; C424-E427 WeakPolarHBondContact CA-OE1 3.22Å; C424-E427 PolarHBondContact SG-OE1 2.98Å
425L89Confident89.8Confident4 Ų455.4 Ų55.42%0.02129%0.292CS..G310 helixtrans-80.4-22.3169.2-64171.8000112.4L401 T417 E422 D423 P435 M451 T455L401-L425 HydrophobicContact CB-CD2 4.22Å; L401-L425 HydrophobicContact CD1-CD2 3.65Å; L401-L425 HydrophobicContact CD1-CG 3.9Å; L401-L425 HydrophobicContact CG-CD2 4.5Å; T417-L425 HydrophobicContact CG2-CD1 4.04Å; E422-L425 VanDerWaalsContact O-CB 3.26Å; E422-L425 WeakPolarHBondContact O-CB 3.35Å; E422-L425 PolarHBondContact O-N 2.94Å; D423-L425 PolarHBondContact O-N 3.07Å; D423-L425 VanDerWaalsContact O-N 3.12Å; L425-P435 HydrophobicContact CD2-CB 4.3Å; L425-P435 HydrophobicContact CD2-CG 4.3Å; L425-P435 VanDerWaalsContact O-CD 3.24Å; L425-P435 WeakPolarHBondContact O-CD 3.45Å; L425-M451 HydrophobicContact CD2-CG 4.26Å; L425-M451 HydrophobicContact CD2-SD 3.88Å; L425-T455 HydrophobicContact CD1-CG2 3.79Å
426N89.2Confident90Very high81 Ų8151 Ų5143%0.43327%0.271SS..THydrogen-bonded Turntrans-88.8-13.5178.1-65.1-48.6000112.9D423D423-N426 WeakPolarHBondContact O-CB 3.49Å; D423-N426 PolarHBondContact O-N 3.01Å
427E89.6Confident90.2Very high63 Ų6351 Ų5129%0.29427%0.271SS..  trans-58.8145.9172.8-76175.8-145.600111.8H393 N399 H402 C424 T434H393-E427 IonicContact CE1-OE2 2.66Å; N399-E427 VanDerWaalsContact ND2-CD 3.33Å; N399-E427 PolarHBondContact ND2-OE2 2.91Å; H402-E427 WeakPolarHBondContact NE2-CB 3.42Å; H402-E427 PolarHBondContact NE2-O 3.36Å; C424-E427 WeakPolarHBondContact CA-OE1 3.22Å; C424-E427 PolarHBondContact SG-OE1 2.98Å; E427-T434 WeakPolarHBondContact O-CA 3.27Å
428R90.7Very high90.3Very high74 Ų7451 Ų5128%0.27927%0.271SS..  trans-120.8130.6179.3-69.6178.2-178.6-83-12.9111.4K432 L433 T434 E460R428-K432 WeakPolarHBondContact CD-O 3.47Å; R428-K432 PolarHBondContact NH1-O 3.41Å; R428-L433 CarbonylContact C-O 3.6Å; R428-L433 VanDerWaalsContact CA-O 3.3Å; R428-L433 WeakPolarHBondContact CA-O 3.49Å; R428-T434 HydrophobicContact CG-CG2 3.7Å; R428-E460 IonicContact CZ-OE2 3.96Å; R428-E460 IonicContact NH1-OE2 2.62Å; R428-E460 IonicContact NH2-OE2 2.87Å; R428-E460 PolarHBondContact NH2-OE2 2.9Å
429N92.4Very high90.6Very high10 Ų1046.2 Ų46.25%0.05324%0.237CC..  trans-72.6-173.7179.174.41.2000113.3N398 E431 K432 L433N398-N429 WeakPolarHBondContact OD1-CB 3.46Å; N398-N429 PolarHBondContact OD1-ND2 2.71Å; N429-E431 PolarHBondContact O-N 2.86Å; N429-E431 VanDerWaalsContact O-N 3.14Å; N429-E431 WeakPolarHBondContact OD1-CA 3.38Å; N429-E431 WeakPolarHBondContact OD1-CB 3.41Å; N429-E431 PolarHBondContact OD1-N 3.34Å; N429-K432 WeakPolarHBondContact O-CA 3.17Å; N429-K432 PolarHBondContact O-N 3.2Å; N429-K432 PolarHBondContact OD1-N 2.9Å; N429-L433 PolarHBondContact N-O 2.78Å; N429-L433 PolarHBondContact OD1-N 3.32Å; N429-L433 PolarHBondContact OD1-O 3.45Å
430T93.6Very high91Very high100 Ų10041.5 Ų41.561%0.61321%0.213SC*.THydrogen-bonded Turntrans-62.8-20.4178.857.60000114.4N396 K432N396-T430 WeakPolarHBondContact O-CG2 3.31Å; N396-T430 PolarHBondContact O-N 2.68Å; N396-T430 VanDerWaalsContact O-N 3.1Å; N396-T430 PolarHBondContact O-OG1 3.29Å; T430-K432 VanDerWaalsContact C-N 3.29Å
431E90.8Very high91.4Very high91 Ų9143.2 Ų43.243%0.42522%0.22SC..THydrogen-bonded Turntrans-87.33.5174-57.7-174152.400112.8N429 L433 K441N429-E431 PolarHBondContact O-N 2.86Å; N429-E431 VanDerWaalsContact O-N 3.14Å; N429-E431 WeakPolarHBondContact OD1-CA 3.38Å; N429-E431 WeakPolarHBondContact OD1-CB 3.41Å; N429-E431 PolarHBondContact OD1-N 3.34Å; E431-L433 HydrophobicContact CB-CD1 4.32Å; E431-L433 HydrophobicContact CB-CG 4.09Å; E431-L433 PolarHBondContact O-N 2.61Å; E431-L433 WeakPolarHBondContact OE2-CD1 3.5Å; E431-K441 IonicContact OE1-NZ 3.66Å; E431-K441 PolarHBondContact OE1-NZ 3.47Å; E431-K441 IonicContact OE2-NZ 3.12Å; E431-K441 PolarHBondContact OE2-NZ 3.06Å
432K91.6Very high91.9Very high133 Ų13345.2 Ų45.258%0.57822%0.223SC*.SBendtrans64.915.6-172.9-57.6174.5167.7-166.70114.7R428 N429 T430 F467R428-K432 WeakPolarHBondContact CD-O 3.47Å; R428-K432 PolarHBondContact NH1-O 3.41Å; N429-K432 WeakPolarHBondContact O-CA 3.17Å; N429-K432 PolarHBondContact O-N 3.2Å; N429-K432 PolarHBondContact OD1-N 2.9Å; T430-K432 VanDerWaalsContact C-N 3.29Å; K432-F467 HydrophobicContact CB-CD1 4.18Å; K432-F467 HydrophobicContact CB-CE1 3.89Å; K432-F467 HydrophobicContact CD-CE1 4.09Å; K432-F467 HydrophobicContact CG-CE1 4.25Å
433L92.1Very high92.3Very high3 Ų341.7 Ų41.72%0.01621%0.214CC..  trans-88.5142.2176.1-58.3-178.7000110.4R428 N429 E431 L438 K441 Y473R428-L433 CarbonylContact C-O 3.6Å; R428-L433 VanDerWaalsContact CA-O 3.3Å; R428-L433 WeakPolarHBondContact CA-O 3.49Å; N429-L433 PolarHBondContact N-O 2.78Å; N429-L433 PolarHBondContact OD1-N 3.32Å; N429-L433 PolarHBondContact OD1-O 3.45Å; E431-L433 HydrophobicContact CB-CD1 4.32Å; E431-L433 HydrophobicContact CB-CG 4.09Å; E431-L433 PolarHBondContact O-N 2.61Å; E431-L433 WeakPolarHBondContact OE2-CD1 3.5Å; L433-L438 HydrophobicContact CB-CB 4.42Å; L433-L438 HydrophobicContact CD1-CD1 4.23Å; L433-K441 HydrophobicContact CD1-CB 4.41Å; L433-K441 HydrophobicContact CD1-CD 3.88Å; L433-Y473 HydrophobicContact CD2-CD1 3.85Å; L433-Y473 HydrophobicContact CD2-CE1 3.25Å; L433-Y473 HydrophobicContact CD2-CE2 4.42Å
434T93.3Very high92.7Very high1 Ų138 Ų381%0.00619%0.192CC..  trans-77.7172163.553.40000110.9E427 R428 A436 G437 L438 E460E427-T434 WeakPolarHBondContact O-CA 3.27Å; R428-T434 HydrophobicContact CG-CG2 3.7Å; T434-A436 PolarHBondContact O-N 3.43Å; T434-G437 PolarHBondContact O-N 2.95Å; T434-G437 VanDerWaalsContact O-N 3.17Å; T434-G437 PolarHBondContact OG1-N 2.68Å; T434-G437 VanDerWaalsContact OG1-N 3.15Å; T434-L438 WeakPolarHBondContact O-CB 3.45Å; T434-L438 PolarHBondContact O-N 3.31Å; T434-E460 VanDerWaalsContact CB-OE1 3.28Å; T434-E460 WeakPolarHBondContact CB-OE1 3.49Å; T434-E460 WeakPolarHBondContact CG2-OE1 3.4Å; T434-E460 VanDerWaalsContact CG2-OE2 3.27Å; T434-E460 WeakPolarHBondContact CG2-OE2 3.46Å; T434-E460 VanDerWaalsContact OG1-CD 3.25Å; T434-E460 PolarHBondContact OG1-OE1 3.18Å; T434-E460 PolarHBondContact OG1-OE2 3.42Å
435P93.8Very high93.1Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-54.7-35.1168.9-25.936.8000112.7L401 H402 A405 L425 A439 M451L401-P435 HydrophobicContact CB-CB 4.33Å; L401-P435 HydrophobicContact CB-CG 3.97Å; H402-P435 HydrophobicContact CB-CG 4.42Å; A405-P435 HydrophobicContact CB-CB 3.94Å; A405-P435 WeakPolarHBondContact CB-O 3.23Å; L425-P435 HydrophobicContact CD2-CB 4.3Å; L425-P435 HydrophobicContact CD2-CG 4.3Å; L425-P435 VanDerWaalsContact O-CD 3.24Å; L425-P435 WeakPolarHBondContact O-CD 3.45Å; P435-A439 VanDerWaalsContact O-CB 3.3Å; P435-A439 WeakPolarHBondContact O-CB 3.47Å; P435-A439 PolarHBondContact O-N 2.95Å; P435-M451 HydrophobicContact CB-SD 4Å
436A94.1Very high93.4Very high1 Ų144.5 Ų44.51%0.00822%0.223CC..Hα-helixtrans-65.1-52.6173.200000111.6T434 L438 A439 I440 M451 L470T434-A436 PolarHBondContact O-N 3.43Å; A436-L438 VanDerWaalsContact C-N 3.27Å; A436-L438 PolarHBondContact O-N 3.09Å; A436-A439 PolarHBondContact O-N 3.08Å; A436-I440 WeakPolarHBondContact O-CG1 3.49Å; A436-I440 PolarHBondContact O-N 3.38Å; A436-M451 HydrophobicContact CB-CE 4.18Å; A436-M451 HydrophobicContact CB-SD 4.16Å; A436-L470 HydrophobicContact CB-CD1 4.21Å; A436-L470 HydrophobicContact CB-CD2 3.76Å
437G92.9Very high93.7Very high0 Ų040.6 Ų40.60%020%0.203CC..Hα-helixtrans-58.1-36.7176.300000113.7T434 I440 K441T434-G437 PolarHBondContact O-N 2.95Å; T434-G437 VanDerWaalsContact O-N 3.17Å; T434-G437 PolarHBondContact OG1-N 2.68Å; T434-G437 VanDerWaalsContact OG1-N 3.15Å; G437-I440 PolarHBondContact O-N 3.46Å; G437-K441 PolarHBondContact O-N 3.46Å
438L94.7Very high93.9Very high10 Ų1037.6 Ų37.65%0.05219%0.189CC..Hα-helixtrans-75.6-35.8177.9-172.860.7000113N398 H402 L433 T434 A436 I440 K441 N442N398-L438 WeakPolarHBondContact OD1-CD2 3.3Å; H402-L438 HydrophobicContact CB-CD2 3.91Å; L433-L438 HydrophobicContact CB-CB 4.42Å; L433-L438 HydrophobicContact CD1-CD1 4.23Å; T434-L438 WeakPolarHBondContact O-CB 3.45Å; T434-L438 PolarHBondContact O-N 3.31Å; A436-L438 VanDerWaalsContact C-N 3.27Å; A436-L438 PolarHBondContact O-N 3.09Å; L438-I440 VanDerWaalsContact C-N 3.32Å; L438-K441 HydrophobicContact CD1-CD 4.03Å; L438-K441 PolarHBondContact O-N 2.69Å; L438-N442 PolarHBondContact O-N 3.42Å; L438-N442 VanDerWaalsContact O-N 3.1Å
439A95.6Very high94.1Very high0 Ų038.6 Ų38.60%019%0.192CC..Hα-helixtrans-62.8-39.2169.200000111.5A405 P435 A436 N442 G443 Q444 C447 V448 M451A405-A439 HydrophobicContact CB-CB 4.07Å; P435-A439 VanDerWaalsContact O-CB 3.3Å; P435-A439 WeakPolarHBondContact O-CB 3.47Å; P435-A439 PolarHBondContact O-N 2.95Å; A436-A439 PolarHBondContact O-N 3.08Å; A439-N442 PolarHBondContact O-N 2.97Å; A439-G443 PolarHBondContact O-N 2.72Å; A439-Q444 HydrophobicContact CB-CB 4.11Å; A439-Q444 PolarHBondContact O-N 3.5Å; A439-C447 HydrophobicContact CB-CB 4.09Å; A439-V448 HydrophobicContact CB-CG2 3.59Å; A439-M451 HydrophobicContact CB-CE 3.94Å
440I95.8Very high94.2Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-60.9-54.2172.1-65-179.9000109.9A436 G437 L438 N442 G443 V448 L470 A474 Y477 Q479 I482 L486A436-I440 WeakPolarHBondContact O-CG1 3.49Å; A436-I440 PolarHBondContact O-N 3.38Å; G437-I440 PolarHBondContact O-N 3.46Å; L438-I440 VanDerWaalsContact C-N 3.32Å; I440-N442 PolarHBondContact O-N 3.24Å; I440-N442 VanDerWaalsContact O-N 3.07Å; I440-G443 PolarHBondContact O-N 3.02Å; I440-V448 HydrophobicContact CD1-CG1 4.42Å; I440-V448 HydrophobicContact CG1-CG1 4.19Å; I440-V448 HydrophobicContact CG1-CG2 3.66Å; I440-L470 HydrophobicContact CD1-CB 3.66Å; I440-L470 HydrophobicContact CD1-CD2 3.64Å; I440-L470 HydrophobicContact CD1-CG 4.12Å; I440-L470 WeakPolarHBondContact CD1-O 3.34Å; I440-A474 HydrophobicContact CG2-CB 3.99Å; I440-Y477 HydrophobicContact CG2-CD2 4.35Å; I440-Q479 HydrophobicContact CG2-CB 4.4Å; I440-Q479 HydrophobicContact CG2-CG 4.26Å; I440-Q479 VanDerWaalsContact O-CG 3.23Å; I440-Q479 WeakPolarHBondContact O-CG 3.49Å; I440-Q479 PolarHBondContact O-NE2 3.28Å; I440-I482 HydrophobicContact CG1-CG2 4.2Å; I440-L486 HydrophobicContact CD1-CD1 4.21Å
441K94.9Very high94.1Very high65 Ų6535.6 Ų35.628%0.28317%0.169SC..Hα-helixtrans-47.5-42.1178.1-173.1-175.5-177.6-169.80112.7E431 L433 G437 L438 Y477 Q479E431-K441 IonicContact OE1-NZ 3.66Å; E431-K441 PolarHBondContact OE1-NZ 3.47Å; E431-K441 IonicContact OE2-NZ 3.12Å; E431-K441 PolarHBondContact OE2-NZ 3.06Å; L433-K441 HydrophobicContact CD1-CB 4.41Å; L433-K441 HydrophobicContact CD1-CD 3.88Å; G437-K441 PolarHBondContact O-N 3.46Å; L438-K441 HydrophobicContact CD1-CD 4.03Å; L438-K441 PolarHBondContact O-N 2.69Å; K441-Y477 VanDerWaalsContact CA-CD2 3.47Å; K441-Y477 HydrophobicContact CB-CD2 3.8Å; K441-Y477 HydrophobicContact CB-CE2 3.68Å; K441-Y477 HydrophobicContact CB-CG 4.26Å; K441-Y477 HydrophobicContact CD-CE1 4.4Å; K441-Y477 HydrophobicContact CG-CD1 4.07Å; K441-Y477 HydrophobicContact CG-CD2 4.15Å; K441-Y477 HydrophobicContact CG-CE1 3.89Å; K441-Y477 HydrophobicContact CG-CE2 3.95Å; K441-Y477 HydrophobicContact CG-CG 4.21Å; K441-Q479 PolarHBondContact O-NE2 3.03Å; K441-Q479 VanDerWaalsContact O-NE2 3.14Å
442N95Very high94.1Very high73 Ų7331.3 Ų31.339%0.3915%0.149SC..THydrogen-bonded Turntrans-89.91.1-178.2-71.918.3000115.1S406 L438 A439 I440 Q444S406-N442 WeakPolarHBondContact CB-ND2 3.28Å; S406-N442 WeakPolarHBondContact O-CB 3.47Å; S406-N442 PolarHBondContact O-ND2 3.19Å; L438-N442 PolarHBondContact O-N 3.42Å; L438-N442 VanDerWaalsContact O-N 3.1Å; A439-N442 PolarHBondContact O-N 2.97Å; I440-N442 PolarHBondContact O-N 3.24Å; I440-N442 VanDerWaalsContact O-N 3.07Å; N442-Q444 HydrophobicContact CB-CG 3.85Å
443G95.1Very high93.9Very high28 Ų2827.4 Ų27.429%0.28914%0.139SC..THydrogen-bonded Turntrans77.619.4177.100000115.6A439 I440 L445 Q479A439-G443 PolarHBondContact O-N 2.72Å; I440-G443 PolarHBondContact O-N 3.02Å; G443-L445 PolarHBondContact O-N 3.04Å; G443-Q479 VanDerWaalsContact CA-OE1 3.26Å
444Q96.7Very high93.5Very high54 Ų5433.4 Ų33.425%0.25217%0.167SC..  trans-8770.3-169-55.4-66.712.600112.7A405 S406 Q407 A439 N442 E446 C447 V448A405-Q444 WeakPolarHBondContact O-CB 3.28Å; A405-Q444 WeakPolarHBondContact O-CG 3.31Å; S406-Q444 WeakPolarHBondContact O-CG 3.49Å; S406-Q444 PolarHBondContact O-NE2 2.87Å; Q407-Q444 PolarHBondContact O-NE2 3.32Å; A439-Q444 HydrophobicContact CB-CB 4.11Å; A439-Q444 PolarHBondContact O-N 3.5Å; N442-Q444 HydrophobicContact CB-CG 3.85Å; Q444-E446 PolarHBondContact O-N 2.93Å; Q444-C447 HydrophobicContact CB-CB 4.4Å; Q444-C447 PolarHBondContact O-N 3.34Å; Q444-V448 PolarHBondContact O-N 3.34Å
445L95.3Very high93Very high47 Ų4734 Ų3425%0.24617%0.17CC..Hα-helixtrans-47.8-51-173.9177.864.7000114.2G443 C447 V448 R449 I482 W485G443-L445 PolarHBondContact O-N 3.04Å; L445-C447 VanDerWaalsContact C-N 3.29Å; L445-C447 PolarHBondContact O-N 3.32Å; L445-V448 PolarHBondContact O-N 2.95Å; L445-V448 VanDerWaalsContact O-N 3.17Å; L445-R449 HydrophobicContact CD1-CG 3.88Å; L445-R449 HydrophobicContact CG-CG 4.11Å; L445-R449 WeakPolarHBondContact O-CB 3.42Å; L445-R449 VanDerWaalsContact O-CG 3.3Å; L445-R449 WeakPolarHBondContact O-CG 3.44Å; L445-R449 PolarHBondContact O-N 3.46Å; L445-I482 HydrophobicContact CB-CG1 4.18Å; L445-I482 HydrophobicContact CD1-CB 4.36Å; L445-I482 HydrophobicContact CD1-CG1 4Å; L445-W485 HydrophobicContact CD1-CB 3.94Å; L445-W485 HydrophobicContact CD1-CG 4.36Å
446E95.3Very high92.2Very high100 Ų10041 Ų4147%0.46720%0.203SC..Hα-helixtrans-66.7-30.2-173-59.7-58.3103.800112.9A410 Q444 R449 W450A410-E446 HydrophobicContact CB-CB 4.26Å; Q444-E446 PolarHBondContact O-N 2.93Å; E446-R449 WeakPolarHBondContact OE1-CD 3.45Å; E446-R449 IonicContact OE1-CZ 3.74Å; E446-R449 IonicContact OE1-NE 2.77Å; E446-R449 IonicContact OE1-NH1 3.35Å; E446-R449 PolarHBondContact OE1-NH1 3.33Å; E446-R449 IonicContact OE2-CZ 3.04Å; E446-R449 IonicContact OE2-NH1 3.7Å; E446-R449 PolarHBondContact OE2-NH1 3.5Å; E446-W450 PolarHBondContact O-N 3.33Å
447C94.8Very high91.3Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-67.7-47172-67.50000111.3L413 A439 Q444 L445 R449 W450 M451L413-C447 HydrophobicContact CD2-CB 3.9Å; A439-C447 HydrophobicContact CB-CB 4.09Å; Q444-C447 HydrophobicContact CB-CB 4.4Å; Q444-C447 PolarHBondContact O-N 3.34Å; L445-C447 VanDerWaalsContact C-N 3.29Å; L445-C447 PolarHBondContact O-N 3.32Å; C447-R449 VanDerWaalsContact C-N 3.34Å; C447-R449 PolarHBondContact O-N 3.04Å; C447-W450 PolarHBondContact O-N 3.39Å; C447-M451 HydrophobicContact CB-CE 4.03Å; C447-M451 VanDerWaalsContact O-CE 3.22Å; C447-M451 WeakPolarHBondContact O-CE 3.42Å; C447-M451 WeakPolarHBondContact O-CG 3.46Å; C447-M451 PolarHBondContact O-N 3.06Å
448V94.5Very high90.5Very high0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-61.7-43.6177.3-179.80000110.9A439 I440 Q444 L445 W450 M451 V452 I482 L486A439-V448 HydrophobicContact CB-CG2 3.59Å; I440-V448 HydrophobicContact CD1-CG1 4.42Å; I440-V448 HydrophobicContact CG1-CG1 4.19Å; I440-V448 HydrophobicContact CG1-CG2 3.66Å; Q444-V448 PolarHBondContact O-N 3.34Å; L445-V448 PolarHBondContact O-N 2.95Å; L445-V448 VanDerWaalsContact O-N 3.17Å; V448-W450 PolarHBondContact O-N 3.49Å; V448-M451 PolarHBondContact O-N 3.4Å; V448-V452 HydrophobicContact CG1-CG2 4.17Å; V448-V452 WeakPolarHBondContact O-CB 3.28Å; V448-V452 WeakPolarHBondContact O-CG2 3.45Å; V448-V452 PolarHBondContact O-N 3.33Å; V448-I482 HydrophobicContact CB-CG2 4.22Å; V448-I482 HydrophobicContact CG1-CG2 3.85Å; V448-I482 HydrophobicContact CG2-CD1 4.28Å; V448-I482 HydrophobicContact CG2-CG2 4.32Å; V448-L486 HydrophobicContact CG1-CD2 4.24Å
449R93.9Very high89.7Confident95 Ų9547.1 Ų47.136%0.35825%0.245SC..Hα-helixtrans-55-53.6177.4-76.3-179.760.6-143.1-15.4111.6L445 E446 C447 V452 S453 W485L445-R449 HydrophobicContact CD1-CG 3.88Å; L445-R449 HydrophobicContact CG-CG 4.11Å; L445-R449 WeakPolarHBondContact O-CB 3.42Å; L445-R449 VanDerWaalsContact O-CG 3.3Å; L445-R449 WeakPolarHBondContact O-CG 3.44Å; L445-R449 PolarHBondContact O-N 3.46Å; E446-R449 WeakPolarHBondContact OE1-CD 3.45Å; E446-R449 IonicContact OE1-CZ 3.74Å; E446-R449 IonicContact OE1-NE 2.77Å; E446-R449 IonicContact OE1-NH1 3.35Å; E446-R449 PolarHBondContact OE1-NH1 3.33Å; E446-R449 IonicContact OE2-CZ 3.04Å; E446-R449 IonicContact OE2-NH1 3.7Å; E446-R449 PolarHBondContact OE2-NH1 3.5Å; C447-R449 VanDerWaalsContact C-N 3.34Å; C447-R449 PolarHBondContact O-N 3.04Å; R449-V452 PolarHBondContact O-N 3.01Å; R449-S453 WeakPolarHBondContact O-CB 3.47Å; R449-S453 PolarHBondContact O-N 3.33Å; R449-S453 PolarHBondContact O-OG 3.41Å; R449-S453 VanDerWaalsContact O-OG 3.05Å; R449-W485 HydrophobicContact CB-CH2 4.39Å; R449-W485 HydrophobicContact CB-CZ2 4.27Å; R449-W485 HydrophobicContact CG-CD2 3.56Å; R449-W485 HydrophobicContact CG-CE3 3.89Å; R449-W485 HydrophobicContact CG-CG 3.97Å; R449-W485 HydrophobicContact CG-CH2 4.33Å; R449-W485 HydrophobicContact CG-CZ2 4.04Å; R449-W485 HydrophobicContact CG-CZ3 4.25Å
450W94Very high89Confident46 Ų4648 Ų4817%0.17425%0.249CC..Hα-helixtrans-64.7-44.2-178.7175.670.6000112.9L413 Q414 T417 E446 C447 V448 V452 S453 E454 T455L413-W450 HydrophobicContact CD2-CE3 3.92Å; L413-W450 HydrophobicContact CD2-CZ3 4.11Å; L413-W450 HydrophobicContact CG-CE3 4.11Å; L413-W450 HydrophobicContact CG-CZ3 3.88Å; Q414-W450 HydrophobicContact CB-CZ2 4.5Å; Q414-W450 HydrophobicContact CG-CD2 3.59Å; Q414-W450 VanDerWaalsContact CG-CE2 3.44Å; Q414-W450 HydrophobicContact CG-CE3 4.1Å; Q414-W450 HydrophobicContact CG-CG 4Å; Q414-W450 HydrophobicContact CG-CH2 4.32Å; Q414-W450 HydrophobicContact CG-CZ2 3.84Å; Q414-W450 HydrophobicContact CG-CZ3 4.44Å; T417-W450 HydrophobicContact CG2-CH2 4.04Å; E446-W450 PolarHBondContact O-N 3.33Å; C447-W450 PolarHBondContact O-N 3.39Å; V448-W450 PolarHBondContact O-N 3.49Å; W450-V452 PolarHBondContact O-N 2.96Å; W450-S453 PolarHBondContact O-N 3.47Å; W450-E454 VanDerWaalsContact CD1-CG 3.41Å; W450-E454 HydrophobicContact CG-CG 4.39Å; W450-E454 WeakPolarHBondContact O-CB 3.44Å; W450-E454 PolarHBondContact O-N 3.43Å; W450-T455 HydrophobicContact CH2-CG2 3.91Å; W450-T455 HydrophobicContact CZ2-CG2 4.03Å; W450-T455 HydrophobicContact CZ3-CG2 4.35Å
451M92.3Very high88.2Confident1 Ų148 Ų481%0.00525%0.25CC..Hα-helixtrans-60.7-45.5177.9-73.9-179-77.500111.6A405 L413 L425 P435 A436 A439 C447 V448 T455 A457A405-M451 HydrophobicContact CB-CE 4.09Å; L413-M451 HydrophobicContact CD2-CE 3.92Å; L413-M451 HydrophobicContact CD2-CG 4.01Å; L413-M451 HydrophobicContact CD2-SD 3.97Å; L425-M451 HydrophobicContact CD2-CG 4.26Å; L425-M451 HydrophobicContact CD2-SD 3.88Å; P435-M451 HydrophobicContact CB-SD 4Å; A436-M451 HydrophobicContact CB-CE 4.18Å; A436-M451 HydrophobicContact CB-SD 4.16Å; A439-M451 HydrophobicContact CB-CE 3.94Å; C447-M451 HydrophobicContact CB-CE 4.03Å; C447-M451 VanDerWaalsContact O-CE 3.22Å; C447-M451 WeakPolarHBondContact O-CE 3.42Å; C447-M451 WeakPolarHBondContact O-CG 3.46Å; C447-M451 PolarHBondContact O-N 3.06Å; V448-M451 PolarHBondContact O-N 3.4Å; M451-T455 WeakPolarHBondContact O-CB 3.49Å; M451-T455 PolarHBondContact O-N 3.2Å; M451-T455 PolarHBondContact O-OG1 3.28Å; M451-A457 HydrophobicContact CB-CB 4.26Å
452V90.1Very high87.4Confident1 Ų147.6 Ų47.61%0.00626%0.255CS..Hα-helixtrans-77.1-25.8-175.9173.70000113.1V448 R449 W450 L461 L470 W485 L486 F489V448-V452 HydrophobicContact CG1-CG2 4.17Å; V448-V452 WeakPolarHBondContact O-CB 3.28Å; V448-V452 WeakPolarHBondContact O-CG2 3.45Å; V448-V452 PolarHBondContact O-N 3.33Å; R449-V452 PolarHBondContact O-N 3.01Å; W450-V452 PolarHBondContact O-N 2.96Å; V452-L461 HydrophobicContact CG1-CD1 3.98Å; V452-L461 HydrophobicContact CG1-CD2 4.16Å; V452-L461 HydrophobicContact CG1-CG 4.31Å; V452-L470 HydrophobicContact CG2-CD1 3.58Å; V452-W485 HydrophobicContact CB-CH2 3.84Å; V452-W485 HydrophobicContact CB-CZ3 3.83Å; V452-W485 HydrophobicContact CG1-CH2 3.81Å; V452-W485 HydrophobicContact CG1-CZ3 3.85Å; V452-W485 HydrophobicContact CG2-CZ3 4.48Å; V452-L486 HydrophobicContact CG2-CD2 4.43Å; V452-F489 HydrophobicContact CG1-CD1 3.8Å; V452-F489 HydrophobicContact CG1-CE1 3.6Å; V452-F489 HydrophobicContact CG1-CZ 4.24Å
453S87.9Confident86.6Confident51 Ų5145.8 Ų45.836%0.35725%0.247SC..Hα-helixtrans-90.3-32.717871.50000114.6R449 W450R449-S453 WeakPolarHBondContact O-CB 3.47Å; R449-S453 PolarHBondContact O-N 3.33Å; R449-S453 PolarHBondContact O-OG 3.41Å; R449-S453 VanDerWaalsContact O-OG 3.05Å; W450-S453 PolarHBondContact O-N 3.47Å
454E84.4Confident85.9Confident129 Ų12947.3 Ų47.360%0.60325%0.254SS*.Hα-helixtrans-112.3-3.9-171.7-45.7-51.2129.600115.2W450W450-E454 VanDerWaalsContact CD1-CG 3.41Å; W450-E454 HydrophobicContact CG-CG 4.39Å; W450-E454 WeakPolarHBondContact O-CB 3.44Å; W450-E454 PolarHBondContact O-N 3.43Å
455T81.3Confident84.8Confident14 Ų1453.8 Ų53.89%0.08628%0.281CS..SBendtrans-134.6169.6-176.480.80000112.5L425 W450 M451 A457 I458L425-T455 HydrophobicContact CD1-CG2 3.79Å; W450-T455 HydrophobicContact CH2-CG2 3.91Å; W450-T455 HydrophobicContact CZ2-CG2 4.03Å; W450-T455 HydrophobicContact CZ3-CG2 4.35Å; M451-T455 WeakPolarHBondContact O-CB 3.49Å; M451-T455 PolarHBondContact O-N 3.2Å; M451-T455 PolarHBondContact O-OG1 3.28Å; T455-A457 PolarHBondContact O-N 3.2Å; T455-A457 WeakPolarHBondContact OG1-CB 3.48Å; T455-A457 PolarHBondContact OG1-N 3.44Å; T455-I458 PolarHBondContact O-N 2.66Å
456E78.1Confident84Confident146 Ų14656.8 Ų56.868%0.68230%0.297SS*.G310 helixtrans-65.1-5.2178.5-60.1-157.5147.600114.6I458 A459E456-I458 PolarHBondContact O-N 2.84Å; E456-A459 WeakPolarHBondContact O-CB 3.34Å; E456-A459 PolarHBondContact O-N 3.37Å
457A73.8Confident83.5Confident2 Ų254.4 Ų54.42%0.01729%0.286CS..G310 helixtrans-58.8-11.1172.800000114.3M451 T455 A459 E460M451-A457 HydrophobicContact CB-CB 4.26Å; T455-A457 PolarHBondContact O-N 3.2Å; T455-A457 WeakPolarHBondContact OG1-CB 3.48Å; T455-A457 PolarHBondContact OG1-N 3.44Å; A457-A459 PolarHBondContact O-N 3.29Å; A457-E460 WeakPolarHBondContact O-CB 3.41Å; A457-E460 PolarHBondContact O-N 3.3Å
458I77.7Confident83.2Confident64 Ų6456.2 Ų56.233%0.32830%0.297SS..G310 helixtrans-53-28.2163.5-166.6171.4000112.9T455 E456 E460 L461 F489 I495T455-I458 PolarHBondContact O-N 2.66Å; E456-I458 PolarHBondContact O-N 2.84Å; I458-E460 PolarHBondContact O-N 3.38Å; I458-L461 HydrophobicContact CG1-CD1 3.77Å; I458-L461 VanDerWaalsContact O-CB 3.3Å; I458-L461 WeakPolarHBondContact O-CB 3.26Å; I458-L461 VanDerWaalsContact O-CG 3.28Å; I458-L461 WeakPolarHBondContact O-CG 3.18Å; I458-L461 PolarHBondContact O-N 2.81Å; I458-L461 VanDerWaalsContact O-N 3.13Å; I458-F489 HydrophobicContact CD1-CE1 3.77Å; I458-F489 HydrophobicContact CD1-CZ 4Å; I458-F489 HydrophobicContact CG1-CE1 4.05Å; I458-I495 HydrophobicContact CG1-CD1 4.48Å
459A76.3Confident83.1Confident74 Ų7456.3 Ų56.361%0.61230%0.298SS*.G310 helixtrans-64.4-25.8174.900000113.1E456 A457 L461 S462E456-A459 WeakPolarHBondContact O-CB 3.34Å; E456-A459 PolarHBondContact O-N 3.37Å; A457-A459 PolarHBondContact O-N 3.29Å; A459-L461 PolarHBondContact O-N 3.35Å; A459-S462 PolarHBondContact O-N 2.92Å
460E81.1Confident83Confident17 Ų1751.8 Ų51.88%0.07928%0.281CS..G310 helixtrans-74.3-0.3174.8-59-158.6-100.600113.4R428 T434 A457 I458 S462 S469 L470R428-E460 IonicContact CZ-OE2 3.96Å; R428-E460 IonicContact NH1-OE2 2.62Å; R428-E460 IonicContact NH2-OE2 2.87Å; R428-E460 PolarHBondContact NH2-OE2 2.9Å; T434-E460 VanDerWaalsContact CB-OE1 3.28Å; T434-E460 WeakPolarHBondContact CB-OE1 3.49Å; T434-E460 WeakPolarHBondContact CG2-OE1 3.4Å; T434-E460 VanDerWaalsContact CG2-OE2 3.27Å; T434-E460 WeakPolarHBondContact CG2-OE2 3.46Å; T434-E460 VanDerWaalsContact OG1-CD 3.25Å; T434-E460 PolarHBondContact OG1-OE1 3.18Å; T434-E460 PolarHBondContact OG1-OE2 3.42Å; A457-E460 WeakPolarHBondContact O-CB 3.41Å; A457-E460 PolarHBondContact O-N 3.3Å; I458-E460 PolarHBondContact O-N 3.38Å; E460-S462 VanDerWaalsContact C-N 3.35Å; E460-S469 CarbonylContact O-C 3.56Å; E460-S469 WeakPolarHBondContact O-CA 3.3Å; E460-S469 WeakPolarHBondContact O-CB 2.76Å; E460-L470 HydrophobicContact CB-CD1 3.9Å; E460-L470 HydrophobicContact CB-CD2 4.15Å; E460-L470 HydrophobicContact CB-CG 3.69Å; E460-L470 WeakPolarHBondContact O-CG 3.17Å; E460-L470 PolarHBondContact O-N 2.9Å
461L78.7Confident82.9Confident1 Ų149.7 Ų49.71%0.00527%0.273CS..G310 helixtrans-73.4-27.2169.8-61.7178.4000112.5V452 I458 A459 S469 L470 L486 F489 M490 I495V452-L461 HydrophobicContact CG1-CD1 3.98Å; V452-L461 HydrophobicContact CG1-CD2 4.16Å; V452-L461 HydrophobicContact CG1-CG 4.31Å; I458-L461 HydrophobicContact CG1-CD1 3.77Å; I458-L461 VanDerWaalsContact O-CB 3.3Å; I458-L461 WeakPolarHBondContact O-CB 3.26Å; I458-L461 VanDerWaalsContact O-CG 3.28Å; I458-L461 WeakPolarHBondContact O-CG 3.18Å; I458-L461 PolarHBondContact O-N 2.81Å; I458-L461 VanDerWaalsContact O-N 3.13Å; A459-L461 PolarHBondContact O-N 3.35Å; L461-S469 WeakPolarHBondContact O-CB 3.29Å; L461-S469 PolarHBondContact O-OG 3.34Å; L461-L470 HydrophobicContact CD2-CB 4.23Å; L461-L470 HydrophobicContact CD2-CD1 4.15Å; L461-L486 HydrophobicContact CD2-CD2 3.7Å; L461-F489 HydrophobicContact CD1-CD1 3.98Å; L461-F489 HydrophobicContact CD1-CE1 4.01Å; L461-M490 HydrophobicContact CD1-CG 4Å; L461-M490 HydrophobicContact CD2-CG 4.4Å; L461-M490 HydrophobicContact CD2-SD 4.32Å; L461-I495 HydrophobicContact CD1-CD1 3.59Å
462S79.1Confident83Confident57 Ų5749.8 Ų49.840%0.39927%0.273SS..SBendtrans-90.2150.1172.4-72.80000111.7A459 E460 S469 E499A459-S462 PolarHBondContact O-N 2.92Å; E460-S462 VanDerWaalsContact C-N 3.35Å; S462-S469 VanDerWaalsContact O-CB 3.27Å; S462-S469 WeakPolarHBondContact O-CB 3.46Å; S462-E499 WeakPolarHBondContact CA-OE2 3.4Å
463C77.8Confident83.2Confident34 Ų3450.6 Ų50.623%0.2328%0.277CS..PPolyproline II helixtrans-73.4136.6177.9-84.60000112.3S469 H472 E499 V500C463-S469 PolarHBondContact SG-N 2.87Å; C463-H472 PolarHBondContact SG-CE1 2.69Å; C463-E499 PolarHBondContact N-OE2 2.92Å; C463-V500 WeakPolarHBondContact CB-O 3.41Å; C463-V500 PolarHBondContact SG-O 3.25Å
464S80.3Confident83.5Confident61 Ų6148.2 Ų48.243%0.42726%0.26SS..PPolyproline II helixtrans-96.7155.8171.6-177.50000110.6D466 F467S464-D466 PolarHBondContact O-N 2.93Å; S464-D466 VanDerWaalsContact O-N 3.12Å; S464-F467 PolarHBondContact N-O 3.41Å; S464-F467 PolarHBondContact O-N 3.2Å
465K73.2Confident84Confident189 Ų18942 Ų4282%0.82223%0.231SC*.SBendtrans-55.9-29.9176.8-68.1-177.6179.9177.10112.9Q502K465-Q502 WeakPolarHBondContact O-CG 3.48Å; K465-Q502 PolarHBondContact O-NE2 3.46Å
466D79.7Confident84.7Confident110 Ų11042.9 Ų42.959%0.58824%0.237SC*.SBendtrans-109-14.3-174.6-58.3-74.9000113.6S464 Q502S464-D466 PolarHBondContact O-N 2.93Å; S464-D466 VanDerWaalsContact O-N 3.12Å; D466-Q502 PolarHBondContact O-NE2 3.18Å
467F85.4Confident85.5Confident51 Ų5139.1 Ų39.122%0.22422%0.217CC..SBendtrans-144.9136-175-46.3-76.5000112.8K432 S464K432-F467 HydrophobicContact CB-CD1 4.18Å; K432-F467 HydrophobicContact CB-CE1 3.89Å; K432-F467 HydrophobicContact CD-CE1 4.09Å; K432-F467 HydrophobicContact CG-CE1 4.25Å; S464-F467 PolarHBondContact N-O 3.41Å; S464-F467 PolarHBondContact O-N 3.2Å
468P87.8Confident86.5Confident37 Ų3740 Ų4024%0.2423%0.226CC..  trans-70.3157.6173.333.4-36.6000111.1H472 Y473 D501P468-H472 HydrophobicContact CB-CB 3.93Å; P468-Y473 HydrophobicContact CG-CE1 4.03Å; P468-Y473 HydrophobicContact CG-CE2 4.27Å; P468-Y473 WeakPolarHBondContact O-CE2 3.38Å; P468-D501 HydrophobicContact CB-CB 4.08Å
469S91.3Very high87.4Confident3 Ų339 Ų392%0.02122%0.22CC..  trans-82.4167.8-175.2105.40000114E460 L461 S462 C463 I471 H472 Y473E460-S469 CarbonylContact O-C 3.56Å; E460-S469 WeakPolarHBondContact O-CA 3.3Å; E460-S469 WeakPolarHBondContact O-CB 2.76Å; L461-S469 WeakPolarHBondContact O-CB 3.29Å; L461-S469 PolarHBondContact O-OG 3.34Å; S462-S469 VanDerWaalsContact O-CB 3.27Å; S462-S469 WeakPolarHBondContact O-CB 3.46Å; C463-S469 PolarHBondContact SG-N 2.87Å; S469-I471 PolarHBondContact O-N 2.92Å; S469-I471 VanDerWaalsContact O-N 3.15Å; S469-I471 WeakPolarHBondContact OG-CG2 3.35Å; S469-H472 WeakPolarHBondContact O-CA 3.34Å; S469-H472 WeakPolarHBondContact O-CB 3.49Å; S469-H472 PolarHBondContact O-N 2.87Å; S469-H472 PolarHBondContact OG-ND1 3.05Å; S469-Y473 WeakPolarHBondContact O-CD2 3.45Å; S469-Y473 PolarHBondContact O-N 2.78Å; S469-Y473 VanDerWaalsContact O-N 3.11Å
470L92.1Very high88.3Confident0 Ų039.9 Ų39.90%021%0.212CC..Hα-helixtrans-53.5-34.3-179.4-64.6-179.3000114A436 I440 V452 E460 L461 H472 Y473 A474 L486A436-L470 HydrophobicContact CB-CD1 4.21Å; A436-L470 HydrophobicContact CB-CD2 3.76Å; I440-L470 HydrophobicContact CD1-CB 3.66Å; I440-L470 HydrophobicContact CD1-CD2 3.64Å; I440-L470 HydrophobicContact CD1-CG 4.12Å; I440-L470 WeakPolarHBondContact CD1-O 3.34Å; V452-L470 HydrophobicContact CG2-CD1 3.58Å; E460-L470 HydrophobicContact CB-CD1 3.9Å; E460-L470 HydrophobicContact CB-CD2 4.15Å; E460-L470 HydrophobicContact CB-CG 3.69Å; E460-L470 WeakPolarHBondContact O-CG 3.17Å; E460-L470 PolarHBondContact O-N 2.9Å; L461-L470 HydrophobicContact CD2-CB 4.23Å; L461-L470 HydrophobicContact CD2-CD1 4.15Å; L470-H472 VanDerWaalsContact C-N 3.31Å; L470-H472 PolarHBondContact O-N 3.47Å; L470-Y473 HydrophobicContact CD2-CD2 4.44Å; L470-Y473 PolarHBondContact O-N 3.27Å; L470-A474 WeakPolarHBondContact O-CB 3.49Å; L470-A474 PolarHBondContact O-N 3.35Å; L470-L486 HydrophobicContact CB-CD1 4.31Å
471I93.3Very high89Confident1 Ų146.8 Ų46.81%0.00524%0.242CC..Hα-helixtrans-67-34.1176.7-161.5-179.6000111.8S469 A474 G475 L483 L487 M490 A507 L523S469-I471 PolarHBondContact O-N 2.92Å; S469-I471 VanDerWaalsContact O-N 3.15Å; S469-I471 WeakPolarHBondContact OG-CG2 3.35Å; I471-A474 PolarHBondContact O-N 3.05Å; I471-G475 PolarHBondContact O-N 3.23Å; I471-L483 HydrophobicContact CD1-CD1 4.23Å; I471-L483 HydrophobicContact CG1-CD1 3.51Å; I471-L487 HydrophobicContact CD1-CD2 3.79Å; I471-L487 HydrophobicContact CD1-CG 4.42Å; I471-M490 HydrophobicContact CB-SD 4.38Å; I471-M490 HydrophobicContact CD1-CE 4.15Å; I471-M490 HydrophobicContact CD1-SD 4.08Å; I471-A507 HydrophobicContact CD1-CB 4.04Å; I471-A507 HydrophobicContact CG1-CB 3.9Å; I471-A507 HydrophobicContact CG2-CB 4.11Å; I471-L523 HydrophobicContact CD1-CD2 4.14Å
472H93.8Very high89.8Confident3 Ų346.9 Ų46.91%0.01424%0.242CC..Hα-helixtrans-71.9-41176-62.581.9000111C463 P468 S469 L470 A474 G475 C476 E499 N505 A507C463-H472 PolarHBondContact SG-CE1 2.69Å; P468-H472 HydrophobicContact CB-CB 3.93Å; S469-H472 WeakPolarHBondContact O-CA 3.34Å; S469-H472 WeakPolarHBondContact O-CB 3.49Å; S469-H472 PolarHBondContact O-N 2.87Å; S469-H472 PolarHBondContact OG-ND1 3.05Å; L470-H472 VanDerWaalsContact C-N 3.31Å; L470-H472 PolarHBondContact O-N 3.47Å; H472-A474 VanDerWaalsContact C-N 3.33Å; H472-A474 PolarHBondContact O-N 2.94Å; H472-G475 PolarHBondContact O-N 2.96Å; H472-C476 VanDerWaalsContact O-CB 3.26Å; H472-C476 WeakPolarHBondContact O-CB 3.37Å; H472-C476 PolarHBondContact O-N 3.39Å; H472-E499 PolarHBondContact CE1-O 3.32Å; H472-E499 PolarHBondContact NE2-O 3.47Å; H472-N505 PolarHBondContact CD2-O 3.22Å; H472-N505 PolarHBondContact NE2-O 3Å; H472-A507 PolarHBondContact CD2-N 3.38Å; H472-A507 PolarHBondContact NE2-N 2.93Å
473Y94Very high90.6Very high19 Ų1944.1 Ų44.18%0.07522%0.223CC..Hα-helixtrans-61.1-40.2171.3-70-61.3000112.1L433 P468 S469 L470 G475 C476 Y477L433-Y473 HydrophobicContact CD2-CD1 3.85Å; L433-Y473 HydrophobicContact CD2-CE1 3.25Å; L433-Y473 HydrophobicContact CD2-CE2 4.42Å; P468-Y473 HydrophobicContact CG-CE1 4.03Å; P468-Y473 HydrophobicContact CG-CE2 4.27Å; P468-Y473 WeakPolarHBondContact O-CE2 3.38Å; S469-Y473 WeakPolarHBondContact O-CD2 3.45Å; S469-Y473 PolarHBondContact O-N 2.78Å; S469-Y473 VanDerWaalsContact O-N 3.11Å; L470-Y473 HydrophobicContact CD2-CD2 4.44Å; L470-Y473 PolarHBondContact O-N 3.27Å; Y473-G475 VanDerWaalsContact C-N 3.33Å; Y473-G475 PolarHBondContact O-N 3.45Å; Y473-C476 PolarHBondContact O-N 2.92Å; Y473-Y477 AromaticContact CD1-CE2 3.91Å; Y473-Y477 HydrophobicContact CD1-CE2 3.91Å; Y473-Y477 WeakPolarHBondContact O-CD2 3.31Å; Y473-Y477 PolarHBondContact O-N 3.15Å
474A95.1Very high91.4Very high0 Ų045.5 Ų45.50%023%0.228CC..Hα-helixtrans-65.9-35.7177.200000112.2I440 L470 I471 H472 G478 Q479 L483 L486I440-A474 HydrophobicContact CG2-CB 3.99Å; L470-A474 WeakPolarHBondContact O-CB 3.49Å; L470-A474 PolarHBondContact O-N 3.35Å; I471-A474 PolarHBondContact O-N 3.05Å; H472-A474 VanDerWaalsContact C-N 3.33Å; H472-A474 PolarHBondContact O-N 2.94Å; A474-G478 PolarHBondContact O-N 3.36Å; A474-Q479 PolarHBondContact O-N 3.03Å; A474-L483 HydrophobicContact CB-CB 4.01Å; A474-L483 HydrophobicContact CB-CD1 4.26Å; A474-L486 HydrophobicContact CB-CD1 4.06Å
475G94.5Very high92.2Very high0 Ų045 Ų450%022%0.217CC..Hα-helixtrans-67.6-39.3168.900000113.8I471 H472 Y473 Y516I471-G475 PolarHBondContact O-N 3.23Å; H472-G475 PolarHBondContact O-N 2.96Å; Y473-G475 VanDerWaalsContact C-N 3.33Å; Y473-G475 PolarHBondContact O-N 3.45Å; G475-Y516 WeakPolarHBondContact O-CD2 3.18Å
476C94.9Very high93.1Very high31 Ų3136 Ų3621%0.20918%0.177CC..Hα-helixtrans-68.8-32.9-178.8-170.50000113.5H472 Y473 V510 Y516H472-C476 VanDerWaalsContact O-CB 3.26Å; H472-C476 WeakPolarHBondContact O-CB 3.37Å; H472-C476 PolarHBondContact O-N 3.39Å; Y473-C476 PolarHBondContact O-N 2.92Å; C476-V510 HydrophobicContact CB-CG1 3.69Å; C476-Y516 VanDerWaalsContact O-CE2 3.26Å; C476-Y516 WeakPolarHBondContact O-CE2 3.32Å
477Y95.4Very high93.8Very high67 Ų6730.8 Ų30.826%0.26315%0.149SC..THydrogen-bonded Turntrans-104.16.8-179.1-58.2-54.4000114.1I440 K441 Y473 Q479I440-Y477 HydrophobicContact CG2-CD2 4.35Å; K441-Y477 VanDerWaalsContact CA-CD2 3.47Å; K441-Y477 HydrophobicContact CB-CD2 3.8Å; K441-Y477 HydrophobicContact CB-CE2 3.68Å; K441-Y477 HydrophobicContact CB-CG 4.26Å; K441-Y477 HydrophobicContact CD-CE1 4.4Å; K441-Y477 HydrophobicContact CG-CD1 4.07Å; K441-Y477 HydrophobicContact CG-CD2 4.15Å; K441-Y477 HydrophobicContact CG-CE1 3.89Å; K441-Y477 HydrophobicContact CG-CE2 3.95Å; K441-Y477 HydrophobicContact CG-CG 4.21Å; Y473-Y477 AromaticContact CD1-CE2 3.91Å; Y473-Y477 HydrophobicContact CD1-CE2 3.91Å; Y473-Y477 WeakPolarHBondContact O-CD2 3.31Å; Y473-Y477 PolarHBondContact O-N 3.15Å; Y477-Q479 VanDerWaalsContact C-N 3.34Å; Y477-Q479 PolarHBondContact O-N 3.39Å
478G94.9Very high94.1Very high21 Ų2131.7 Ų31.722%0.21615%0.154CC..THydrogen-bonded Turntrans70.325.1176.100000115A474 E480 Y516A474-G478 PolarHBondContact O-N 3.36Å; G478-E480 VanDerWaalsContact C-N 3.3Å; G478-E480 PolarHBondContact O-N 2.88Å; G478-Y516 VanDerWaalsContact CA-CD1 3.44Å
479Q96.3Very high94.4Very high43 Ų4330.9 Ų30.920%0.20115%0.147CC..  trans-8960.5-164.8-62.9-71.51.800112.6I440 K441 G443 A474 Y477 K481 I482 L483I440-Q479 HydrophobicContact CG2-CB 4.4Å; I440-Q479 HydrophobicContact CG2-CG 4.26Å; I440-Q479 VanDerWaalsContact O-CG 3.23Å; I440-Q479 WeakPolarHBondContact O-CG 3.49Å; I440-Q479 PolarHBondContact O-NE2 3.28Å; K441-Q479 PolarHBondContact O-NE2 3.03Å; K441-Q479 VanDerWaalsContact O-NE2 3.14Å; G443-Q479 VanDerWaalsContact CA-OE1 3.26Å; A474-Q479 PolarHBondContact O-N 3.03Å; Y477-Q479 VanDerWaalsContact C-N 3.34Å; Y477-Q479 PolarHBondContact O-N 3.39Å; Q479-K481 VanDerWaalsContact C-N 3.26Å; Q479-K481 PolarHBondContact O-N 2.82Å; Q479-K481 VanDerWaalsContact O-N 3.08Å; Q479-I482 HydrophobicContact CB-CB 4.27Å; Q479-I482 HydrophobicContact CB-CD1 4.25Å; Q479-I482 HydrophobicContact CB-CG1 4.36Å; Q479-I482 PolarHBondContact O-N 3.26Å; Q479-L483 PolarHBondContact O-N 2.84Å
480E95.8Very high94.4Very high93 Ų9330.8 Ų30.844%0.43515%0.146SC..Hα-helixtrans-45.8-43.2-173.6-169.4-169.2108.400114.1G478 I482 L483 L484 G518 T522G478-E480 VanDerWaalsContact C-N 3.3Å; G478-E480 PolarHBondContact O-N 2.88Å; E480-I482 PolarHBondContact O-N 2.97Å; E480-L483 PolarHBondContact O-N 3.45Å; E480-L484 VanDerWaalsContact O-CB 3.26Å; E480-L484 WeakPolarHBondContact O-CB 3.26Å; E480-L484 PolarHBondContact O-N 2.88Å; E480-G518 VanDerWaalsContact OE2-CA 3.31Å; E480-G518 WeakPolarHBondContact OE2-CA 3.46Å; E480-T522 WeakPolarHBondContact CG-OG1 3.47Å
481K95.7Very high94.3Very high162 Ų16236 Ų3670%0.70417%0.171SC*.Hα-helixtrans-66-36.3179.5-65.9178.2-176.8171.40113.5Q479 W485Q479-K481 VanDerWaalsContact C-N 3.26Å; Q479-K481 PolarHBondContact O-N 2.82Å; Q479-K481 VanDerWaalsContact O-N 3.08Å; K481-W485 PolarHBondContact O-N 2.97Å
482I96.1Very high94.1Very high2 Ų242 Ų421%0.0120%0.199CC..Hα-helixtrans-77.6-44177.8-54.2-178.7000109I440 L445 V448 Q479 E480 L484 W485 L486I440-I482 HydrophobicContact CG1-CG2 4.2Å; L445-I482 HydrophobicContact CB-CG1 4.18Å; L445-I482 HydrophobicContact CD1-CB 4.36Å; L445-I482 HydrophobicContact CD1-CG1 4Å; V448-I482 HydrophobicContact CB-CG2 4.22Å; V448-I482 HydrophobicContact CG1-CG2 3.85Å; V448-I482 HydrophobicContact CG2-CD1 4.28Å; V448-I482 HydrophobicContact CG2-CG2 4.32Å; Q479-I482 HydrophobicContact CB-CB 4.27Å; Q479-I482 HydrophobicContact CB-CD1 4.25Å; Q479-I482 HydrophobicContact CB-CG1 4.36Å; Q479-I482 PolarHBondContact O-N 3.26Å; E480-I482 PolarHBondContact O-N 2.97Å; I482-L484 VanDerWaalsContact C-N 3.32Å; I482-L484 PolarHBondContact O-N 3.04Å; I482-W485 PolarHBondContact O-N 2.96Å; I482-W485 VanDerWaalsContact O-N 3.08Å; I482-L486 HydrophobicContact CG2-CD1 3.88Å; I482-L486 HydrophobicContact CG2-CG 4.09Å; I482-L486 WeakPolarHBondContact O-CB 3.28Å; I482-L486 WeakPolarHBondContact O-CG 3.4Å; I482-L486 PolarHBondContact O-N 2.91Å
483L95.5Very high93.9Very high0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-54.4-46.8174-17857.3000111.7I471 A474 Q479 E480 W485 L486 L487 C519 L523I471-L483 HydrophobicContact CD1-CD1 4.23Å; I471-L483 HydrophobicContact CG1-CD1 3.51Å; A474-L483 HydrophobicContact CB-CB 4.01Å; A474-L483 HydrophobicContact CB-CD1 4.26Å; Q479-L483 PolarHBondContact O-N 2.84Å; E480-L483 PolarHBondContact O-N 3.45Å; L483-W485 VanDerWaalsContact C-N 3.34Å; L483-W485 PolarHBondContact O-N 3.46Å; L483-L486 PolarHBondContact O-N 3.23Å; L483-L487 HydrophobicContact CD1-CD1 4.04Å; L483-L487 HydrophobicContact CD1-CG 4.19Å; L483-L487 HydrophobicContact CG-CD1 3.91Å; L483-L487 VanDerWaalsContact O-CB 3.29Å; L483-L487 WeakPolarHBondContact O-CB 3.48Å; L483-L487 WeakPolarHBondContact O-CD1 3.19Å; L483-L487 WeakPolarHBondContact O-CG 3.49Å; L483-L487 PolarHBondContact O-N 3.05Å; L483-C519 HydrophobicContact CD2-CB 3.45Å; L483-C519 VanDerWaalsContact CD2-CB 3.45Å; L483-L523 HydrophobicContact CD1-CD2 4.25Å; L483-L523 HydrophobicContact CD1-CG 4.33Å; L483-L523 HydrophobicContact CD2-CD1 4.03Å; L483-L523 HydrophobicContact CD2-CG 4.07Å
484L95.4Very high93.5Very high62 Ų6249.3 Ų49.333%0.32525%0.252SS..Hα-helixtrans-58.8-40.9175176.262.3000112.7E480 I482 Q488 T522 Y526E480-L484 VanDerWaalsContact O-CB 3.26Å; E480-L484 WeakPolarHBondContact O-CB 3.26Å; E480-L484 PolarHBondContact O-N 2.88Å; I482-L484 VanDerWaalsContact C-N 3.32Å; I482-L484 PolarHBondContact O-N 3.04Å; L484-Q488 WeakPolarHBondContact O-CB 3.26Å; L484-Q488 PolarHBondContact O-N 2.87Å; L484-Q488 VanDerWaalsContact O-N 3.11Å; L484-T522 HydrophobicContact CB-CG2 3.98Å; L484-T522 HydrophobicContact CD1-CG2 3.98Å; L484-Y526 HydrophobicContact CD1-CD2 4.5Å; L484-Y526 HydrophobicContact CD1-CE2 3.48Å; L484-Y526 VanDerWaalsContact CD1-CE2 3.48Å
485W95.3Very high93.1Very high52 Ų5251.3 Ų51.320%0.19726%0.262CS..Hα-helixtrans-72.7-42.8177.3-178.979.2000112.3L445 R449 V452 K481 I482 L483 L487 Q488 F489L445-W485 HydrophobicContact CD1-CB 3.94Å; L445-W485 HydrophobicContact CD1-CG 4.36Å; R449-W485 HydrophobicContact CB-CH2 4.39Å; R449-W485 HydrophobicContact CB-CZ2 4.27Å; R449-W485 HydrophobicContact CG-CD2 3.56Å; R449-W485 HydrophobicContact CG-CE3 3.89Å; R449-W485 HydrophobicContact CG-CG 3.97Å; R449-W485 HydrophobicContact CG-CH2 4.33Å; R449-W485 HydrophobicContact CG-CZ2 4.04Å; R449-W485 HydrophobicContact CG-CZ3 4.25Å; V452-W485 HydrophobicContact CB-CH2 3.84Å; V452-W485 HydrophobicContact CB-CZ3 3.83Å; V452-W485 HydrophobicContact CG1-CH2 3.81Å; V452-W485 HydrophobicContact CG1-CZ3 3.85Å; V452-W485 HydrophobicContact CG2-CZ3 4.48Å; K481-W485 PolarHBondContact O-N 2.97Å; I482-W485 PolarHBondContact O-N 2.96Å; I482-W485 VanDerWaalsContact O-N 3.08Å; L483-W485 VanDerWaalsContact C-N 3.34Å; L483-W485 PolarHBondContact O-N 3.46Å; W485-L487 VanDerWaalsContact C-N 3.35Å; W485-L487 PolarHBondContact O-N 3.47Å; W485-Q488 PolarHBondContact O-N 2.85Å; W485-F489 HydrophobicContact CH2-CB 4.18Å; W485-F489 HydrophobicContact CH2-CD1 4.43Å; W485-F489 HydrophobicContact CH2-CD2 4Å; W485-F489 HydrophobicContact CH2-CE2 4.5Å; W485-F489 AromaticContact CH2-CG 3.95Å; W485-F489 HydrophobicContact CH2-CG 3.95Å; W485-F489 HydrophobicContact CZ2-CB 4.06Å; W485-F489 AromaticContact CZ2-CD2 3.76Å; W485-F489 HydrophobicContact CZ2-CD2 3.76Å; W485-F489 HydrophobicContact CZ2-CE2 4.44Å; W485-F489 HydrophobicContact CZ2-CG 4.01Å; W485-F489 HydrophobicContact CZ3-CB 4.48Å; W485-F489 WeakPolarHBondContact O-CB 3.23Å; W485-F489 PolarHBondContact O-N 2.83Å
486L93.7Very high92.5Very high0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-59.2-45.9175.3-70171.3000110.7I440 V448 V452 L461 L470 A474 I482 L483 Q488 F489 M490I440-L486 HydrophobicContact CD1-CD1 4.21Å; V448-L486 HydrophobicContact CG1-CD2 4.24Å; V452-L486 HydrophobicContact CG2-CD2 4.43Å; L461-L486 HydrophobicContact CD2-CD2 3.7Å; L470-L486 HydrophobicContact CB-CD1 4.31Å; A474-L486 HydrophobicContact CB-CD1 4.06Å; I482-L486 HydrophobicContact CG2-CD1 3.88Å; I482-L486 HydrophobicContact CG2-CG 4.09Å; I482-L486 WeakPolarHBondContact O-CB 3.28Å; I482-L486 WeakPolarHBondContact O-CG 3.4Å; I482-L486 PolarHBondContact O-N 2.91Å; L483-L486 PolarHBondContact O-N 3.23Å; L486-Q488 PolarHBondContact O-N 3.1Å; L486-F489 PolarHBondContact O-N 3.32Å; L486-M490 VanDerWaalsContact O-CB 3.29Å; L486-M490 WeakPolarHBondContact O-CB 3.45Å; L486-M490 WeakPolarHBondContact O-CG 3.17Å; L486-M490 PolarHBondContact O-N 3.27Å
487L93.3Very high92Very high0 Ų053.7 Ų53.70%028%0.277CS..Hα-helixtrans-59.8-44.2175.7-75.2167.4000112.3I471 L483 W485 Q491 L497 T522 L523 Y526I471-L487 HydrophobicContact CD1-CD2 3.79Å; I471-L487 HydrophobicContact CD1-CG 4.42Å; L483-L487 HydrophobicContact CD1-CD1 4.04Å; L483-L487 HydrophobicContact CD1-CG 4.19Å; L483-L487 HydrophobicContact CG-CD1 3.91Å; L483-L487 VanDerWaalsContact O-CB 3.29Å; L483-L487 WeakPolarHBondContact O-CB 3.48Å; L483-L487 WeakPolarHBondContact O-CD1 3.19Å; L483-L487 WeakPolarHBondContact O-CG 3.49Å; L483-L487 PolarHBondContact O-N 3.05Å; W485-L487 VanDerWaalsContact C-N 3.35Å; W485-L487 PolarHBondContact O-N 3.47Å; L487-Q491 WeakPolarHBondContact O-CB 3.31Å; L487-Q491 PolarHBondContact O-N 3.44Å; L487-L497 HydrophobicContact CD2-CD1 3.97Å; L487-L497 HydrophobicContact CD2-CD2 3.87Å; L487-L497 HydrophobicContact CD2-CG 4.38Å; L487-T522 HydrophobicContact CD1-CG2 3.79Å; L487-L523 HydrophobicContact CD1-CD2 4.26Å; L487-L523 HydrophobicContact CD1-CG 4.43Å; L487-L523 HydrophobicContact CD2-CD2 4.07Å; L487-Y526 HydrophobicContact CB-CD1 3.76Å; L487-Y526 HydrophobicContact CB-CD2 4.35Å; L487-Y526 HydrophobicContact CB-CE1 4.14Å; L487-Y526 HydrophobicContact CB-CG 3.88Å; L487-Y526 HydrophobicContact CD1-CD2 4.23Å; L487-Y526 HydrophobicContact CD1-CG 4.17Å; L487-Y526 HydrophobicContact CG-CG 4.44Å
488Q92.9Very high91.5Very high70 Ų7053.2 Ų53.233%0.32728%0.279SS..Hα-helixtrans-62.2-45.7175.6-174.762.840.300111.8L484 W485 L486 Q491 E492 Y526L484-Q488 WeakPolarHBondContact O-CB 3.26Å; L484-Q488 PolarHBondContact O-N 2.87Å; L484-Q488 VanDerWaalsContact O-N 3.11Å; W485-Q488 PolarHBondContact O-N 2.85Å; L486-Q488 PolarHBondContact O-N 3.1Å; Q488-Q491 PolarHBondContact O-N 3.25Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.33Å; Q488-E492 PolarHBondContact NE2-OE1 3.45Å; Q488-E492 WeakPolarHBondContact O-CG 3.4Å; Q488-E492 PolarHBondContact O-N 3.29Å; Q488-Y526 HydrophobicContact CB-CE1 4.4Å; Q488-Y526 PolarHBondContact OE1-OH 3.1Å
489F92.4Very high91Very high20 Ų2054.5 Ų54.59%0.08828%0.279CS..Hα-helixtrans-67.9-44.7179.9-176.5-96.1000112.2V452 I458 L461 W485 L486 Q491 E492 Q493V452-F489 HydrophobicContact CG1-CD1 3.8Å; V452-F489 HydrophobicContact CG1-CE1 3.6Å; V452-F489 HydrophobicContact CG1-CZ 4.24Å; I458-F489 HydrophobicContact CD1-CE1 3.77Å; I458-F489 HydrophobicContact CD1-CZ 4Å; I458-F489 HydrophobicContact CG1-CE1 4.05Å; L461-F489 HydrophobicContact CD1-CD1 3.98Å; L461-F489 HydrophobicContact CD1-CE1 4.01Å; W485-F489 HydrophobicContact CH2-CB 4.18Å; W485-F489 HydrophobicContact CH2-CD1 4.43Å; W485-F489 HydrophobicContact CH2-CD2 4Å; W485-F489 HydrophobicContact CH2-CE2 4.5Å; W485-F489 AromaticContact CH2-CG 3.95Å; W485-F489 HydrophobicContact CH2-CG 3.95Å; W485-F489 HydrophobicContact CZ2-CB 4.06Å; W485-F489 AromaticContact CZ2-CD2 3.76Å; W485-F489 HydrophobicContact CZ2-CD2 3.76Å; W485-F489 HydrophobicContact CZ2-CE2 4.44Å; W485-F489 HydrophobicContact CZ2-CG 4.01Å; W485-F489 HydrophobicContact CZ3-CB 4.48Å; W485-F489 WeakPolarHBondContact O-CB 3.23Å; W485-F489 PolarHBondContact O-N 2.83Å; L486-F489 PolarHBondContact O-N 3.32Å; F489-Q491 VanDerWaalsContact C-N 3.31Å; F489-Q491 PolarHBondContact O-N 3.23Å; F489-E492 PolarHBondContact O-N 3.46Å; F489-E492 VanDerWaalsContact O-N 3.13Å; F489-Q493 HydrophobicContact CD1-CG 4.1Å; F489-Q493 HydrophobicContact CE1-CG 3.75Å; F489-Q493 HydrophobicContact CE2-CG 4.32Å; F489-Q493 HydrophobicContact CZ-CG 3.88Å; F489-Q493 WeakPolarHBondContact O-CG 3.46Å; F489-Q493 PolarHBondContact O-N 3.5Å
490M91.2Very high90.8Very high0 Ų055.3 Ų55.30%029%0.287CS..Hα-helixtrans-59.6-42175-71.7166.675.300111.1L461 I471 L486 E492 Q493 G494 I495 S496 L497L461-M490 HydrophobicContact CD1-CG 4Å; L461-M490 HydrophobicContact CD2-CG 4.4Å; L461-M490 HydrophobicContact CD2-SD 4.32Å; I471-M490 HydrophobicContact CB-SD 4.38Å; I471-M490 HydrophobicContact CD1-CE 4.15Å; I471-M490 HydrophobicContact CD1-SD 4.08Å; L486-M490 VanDerWaalsContact O-CB 3.29Å; L486-M490 WeakPolarHBondContact O-CB 3.45Å; L486-M490 WeakPolarHBondContact O-CG 3.17Å; L486-M490 PolarHBondContact O-N 3.27Å; M490-E492 VanDerWaalsContact C-N 3.33Å; M490-E492 PolarHBondContact O-N 3.44Å; M490-Q493 PolarHBondContact O-N 3.08Å; M490-G494 PolarHBondContact O-N 3.23Å; M490-I495 HydrophobicContact CB-CB 4.03Å; M490-I495 HydrophobicContact CB-CG2 4.48Å; M490-I495 HydrophobicContact CE-CG2 3.85Å; M490-I495 HydrophobicContact CG-CB 4.19Å; M490-I495 HydrophobicContact CG-CD1 4.49Å; M490-I495 HydrophobicContact CG-CG2 4.22Å; M490-I495 PolarHBondContact O-N 3.14Å; M490-S496 WeakPolarHBondContact CE-O 3.48Å; M490-L497 HydrophobicContact CB-CD2 3.79Å; M490-L497 HydrophobicContact CE-CD2 4.07Å; M490-L497 HydrophobicContact SD-CD2 4.46Å
491Q90.6Very high90.6Very high111 Ų11152.2 Ų52.252%0.51927%0.274SS..Hα-helixtrans-65-33.4175.5-1776089.700113L487 Q488 F489L487-Q491 WeakPolarHBondContact O-CB 3.31Å; L487-Q491 PolarHBondContact O-N 3.44Å; Q488-Q491 PolarHBondContact O-N 3.25Å; F489-Q491 VanDerWaalsContact C-N 3.31Å; F489-Q491 PolarHBondContact O-N 3.23Å
492E90.6Very high90.3Very high126 Ų12649.4 Ų49.459%0.58926%0.263SS*.Hα-helixtrans-74.8-34.2175-75.5168.4-165.400112.8Q488 F489 M490Q488-E492 WeakPolarHBondContact CG-OE1 3.33Å; Q488-E492 PolarHBondContact NE2-OE1 3.45Å; Q488-E492 WeakPolarHBondContact O-CG 3.4Å; Q488-E492 PolarHBondContact O-N 3.29Å; F489-E492 PolarHBondContact O-N 3.46Å; F489-E492 VanDerWaalsContact O-N 3.13Å; M490-E492 VanDerWaalsContact C-N 3.33Å; M490-E492 PolarHBondContact O-N 3.44Å
493Q87.8Confident90Very high109 Ų10954.4 Ų54.451%0.50929%0.29SS..Hα-helixtrans-85.4-7.4176-60.4-54.4-36.800113.9F489 M490 I495F489-Q493 HydrophobicContact CD1-CG 4.1Å; F489-Q493 HydrophobicContact CE1-CG 3.75Å; F489-Q493 HydrophobicContact CE2-CG 4.32Å; F489-Q493 HydrophobicContact CZ-CG 3.88Å; F489-Q493 WeakPolarHBondContact O-CG 3.46Å; F489-Q493 PolarHBondContact O-N 3.5Å; M490-Q493 PolarHBondContact O-N 3.08Å; Q493-I495 VanDerWaalsContact C-N 3.35Å; Q493-I495 HydrophobicContact CB-CD1 3.78Å; Q493-I495 HydrophobicContact CB-CG1 3.85Å; Q493-I495 HydrophobicContact CG-CD1 4.44Å
494G85.4Confident89.9Confident67 Ų6754.6 Ų54.669%0.69129%0.292SS*.THydrogen-bonded Turntrans7323.3-176.600000114.5M490M490-G494 PolarHBondContact O-N 3.23Å
495I86.6Confident89.8Confident41 Ų4151.9 Ų51.921%0.2128%0.278CS..  trans-79.9141.1179.3-60.3170.6000109.5I458 L461 M490 Q493I458-I495 HydrophobicContact CG1-CD1 4.48Å; L461-I495 HydrophobicContact CD1-CD1 3.59Å; M490-I495 HydrophobicContact CB-CB 4.03Å; M490-I495 HydrophobicContact CB-CG2 4.48Å; M490-I495 HydrophobicContact CE-CG2 3.85Å; M490-I495 HydrophobicContact CG-CB 4.19Å; M490-I495 HydrophobicContact CG-CD1 4.49Å; M490-I495 HydrophobicContact CG-CG2 4.22Å; M490-I495 PolarHBondContact O-N 3.14Å; Q493-I495 VanDerWaalsContact C-N 3.35Å; Q493-I495 HydrophobicContact CB-CD1 3.78Å; Q493-I495 HydrophobicContact CB-CG1 3.85Å; Q493-I495 HydrophobicContact CG-CD1 4.44Å
496S83.8Confident89.8Confident61 Ų6149.5 Ų49.543%0.42727%0.269SS..  trans-62135.6178.6-172.80000112M490 D498M490-S496 WeakPolarHBondContact CE-O 3.48Å; S496-D498 PolarHBondContact OG-N 2.89Å
497L83.8Confident89.8Confident21 Ų2149.5 Ų49.511%0.1127%0.269CS..SBendtrans-87.1-20.8172.3-53.2-171.7000112.5L487 M490 E499 Y526L487-L497 HydrophobicContact CD2-CD1 3.97Å; L487-L497 HydrophobicContact CD2-CD2 3.87Å; L487-L497 HydrophobicContact CD2-CG 4.38Å; M490-L497 HydrophobicContact CB-CD2 3.79Å; M490-L497 HydrophobicContact CE-CD2 4.07Å; M490-L497 HydrophobicContact SD-CD2 4.46Å; L497-E499 VanDerWaalsContact C-N 3.27Å; L497-E499 PolarHBondContact O-N 2.91Å; L497-Y526 VanDerWaalsContact CD1-O 3.31Å; L497-Y526 WeakPolarHBondContact CD1-O 3.38Å
498D84.2Confident89.9Confident56 Ų5649.6 Ų49.630%0.29927%0.269SS..  trans-93.328.6-176.5-73.9-26000112.2S496 N529 M532S496-D498 PolarHBondContact OG-N 2.89Å; D498-N529 WeakPolarHBondContact OD1-CB 3.36Å; D498-N529 PolarHBondContact OD1-N 2.97Å; D498-N529 WeakPolarHBondContact OD2-CB 3.38Å; D498-M532 HydrophobicContact CB-CE 3.61Å; D498-M532 HydrophobicContact CB-SD 4.03Å; D498-M532 WeakPolarHBondContact OD1-CE 3.41Å
499E85.5Confident90.1Very high48 Ų4846.2 Ų46.222%0.22425%0.254CS..  trans-56.5147.7164.9-68.4-76.1120.900110.4S462 C463 H472 L497 S506S462-E499 WeakPolarHBondContact CA-OE2 3.4Å; C463-E499 PolarHBondContact N-OE2 2.92Å; H472-E499 PolarHBondContact CE1-O 3.32Å; H472-E499 PolarHBondContact NE2-O 3.47Å; L497-E499 VanDerWaalsContact C-N 3.27Å; L497-E499 PolarHBondContact O-N 2.91Å; E499-S506 WeakPolarHBondContact O-CA 3.39Å
500V91.3Very high90.2Very high61 Ų6145.8 Ų45.837%0.3725%0.253SS..BIsolated β-bridgetrans-130.1148-179.3-65.50000111.8C463 N505 M532C463-V500 WeakPolarHBondContact CB-O 3.41Å; C463-V500 PolarHBondContact SG-O 3.25Å; V500-N505 WeakPolarHBondContact CA-O 3.22Å; V500-M532 HydrophobicContact CG1-CE 4.44Å
501D90.8Very high90.5Very high28 Ų2845.8 Ų45.815%0.1525%0.253CS..  trans-80.1-175.2174.574.112.5000113.6P468 D503 G504 N505P468-D501 HydrophobicContact CB-CB 4.08Å; D501-D503 PolarHBondContact O-N 3.38Å; D501-D503 WeakPolarHBondContact OD1-CA 3.41Å; D501-D503 WeakPolarHBondContact OD1-CB 3.46Å; D501-D503 PolarHBondContact OD1-N 2.99Å; D501-G504 PolarHBondContact O-N 3.46Å; D501-G504 PolarHBondContact OD1-N 2.83Å; D501-G504 VanDerWaalsContact OD1-N 3.16Å; D501-N505 PolarHBondContact N-O 3.43Å; D501-N505 WeakPolarHBondContact OD1-CB 3.32Å; D501-N505 PolarHBondContact OD1-N 2.95Å; D501-N505 PolarHBondContact OD1-ND2 3.42Å; D501-N505 WeakPolarHBondContact OD2-CB 3.48Å; D501-N505 PolarHBondContact OD2-ND2 3.19Å
502Q90.4Very high90.8Very high103 Ų10340.5 Ų40.548%0.48123%0.228SC..THydrogen-bonded Turntrans-59.4-27179.1-73158.954.200114.2K465 D466 G504 H535K465-Q502 WeakPolarHBondContact O-CG 3.48Å; K465-Q502 PolarHBondContact O-NE2 3.46Å; D466-Q502 PolarHBondContact O-NE2 3.18Å; Q502-G504 VanDerWaalsContact C-N 3.32Å; Q502-H535 PolarHBondContact O-CE1 3.44Å; Q502-H535 PolarHBondContact O-ND1 3.39Å
503D90.6Very high91.1Very high107 Ų10736 Ų3657%0.57221%0.207SC*.THydrogen-bonded Turntrans-92.54.9177.5-72-36.6000111.4D501 N505 N534 H535D501-D503 PolarHBondContact O-N 3.38Å; D501-D503 WeakPolarHBondContact OD1-CA 3.41Å; D501-D503 WeakPolarHBondContact OD1-CB 3.46Å; D501-D503 PolarHBondContact OD1-N 2.99Å; D503-N505 VanDerWaalsContact CB-ND2 3.31Å; D503-N505 WeakPolarHBondContact CB-ND2 3.17Å; D503-N505 PolarHBondContact O-N 3.46Å; D503-N534 WeakPolarHBondContact O-CB 3.1Å; D503-H535 VanDerWaalsContact O-CB 3.28Å; D503-H535 WeakPolarHBondContact O-CB 3.37Å; D503-H535 PolarHBondContact O-N 2.94Å
504G92.3Very high91.5Very high4 Ų434.6 Ų34.64%0.04120%0.2CC..SBendtrans75.39.8-176.900000113.3D501 Q502 S506 N534 H535D501-G504 PolarHBondContact O-N 3.46Å; D501-G504 PolarHBondContact OD1-N 2.83Å; D501-G504 VanDerWaalsContact OD1-N 3.16Å; Q502-G504 VanDerWaalsContact C-N 3.32Å; G504-S506 PolarHBondContact O-N 2.73Å; G504-N534 WeakPolarHBondContact O-CA 3.35Å; G504-N534 WeakPolarHBondContact O-CB 3.29Å; G504-H535 PolarHBondContact N-CE1 3.04Å; G504-H535 PolarHBondContact N-ND1 3.27Å
505N93.8Very high92Very high5 Ų532.5 Ų32.53%0.02718%0.179CC..  trans-76.2124.2177-55.1-60000109.1H472 V500 D501 D503 H509 V510 Q513 N534H472-N505 PolarHBondContact CD2-O 3.22Å; H472-N505 PolarHBondContact NE2-O 3Å; V500-N505 WeakPolarHBondContact CA-O 3.22Å; D501-N505 PolarHBondContact N-O 3.43Å; D501-N505 WeakPolarHBondContact OD1-CB 3.32Å; D501-N505 PolarHBondContact OD1-N 2.95Å; D501-N505 PolarHBondContact OD1-ND2 3.42Å; D501-N505 WeakPolarHBondContact OD2-CB 3.48Å; D501-N505 PolarHBondContact OD2-ND2 3.19Å; D503-N505 VanDerWaalsContact CB-ND2 3.31Å; D503-N505 WeakPolarHBondContact CB-ND2 3.17Å; D503-N505 PolarHBondContact O-N 3.46Å; N505-H509 HydrophobicContact CB-CB 3.61Å; N505-V510 HydrophobicContact CB-CG2 3.9Å; N505-Q513 PolarHBondContact OD1-NE2 2.95Å; N505-N534 WeakPolarHBondContact OD1-CB 3.29Å; N505-N534 PolarHBondContact OD1-ND2 2.66Å
506S94.2Very high92.5Very high1 Ų134.8 Ų34.81%0.00719%0.185CC..BIsolated β-bridgetrans-76.2169.9162.665.40000111.9E499 G504 V508 H509 V510 M532E499-S506 WeakPolarHBondContact O-CA 3.39Å; G504-S506 PolarHBondContact O-N 2.73Å; S506-V508 PolarHBondContact O-N 2.82Å; S506-H509 PolarHBondContact N-ND1 3.23Å; S506-H509 WeakPolarHBondContact O-CA 3.41Å; S506-H509 WeakPolarHBondContact O-CB 3.49Å; S506-H509 PolarHBondContact O-N 3.11Å; S506-H509 PolarHBondContact OG-ND1 3.42Å; S506-V510 PolarHBondContact O-N 3.47Å; S506-M532 VanDerWaalsContact CB-CE 3.49Å
507A94.4Very high93.1Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-48.9-35.5174.100000113.6I471 H472 V510 A511 L523I471-A507 HydrophobicContact CD1-CB 4.04Å; I471-A507 HydrophobicContact CG1-CB 3.9Å; I471-A507 HydrophobicContact CG2-CB 4.11Å; H472-A507 PolarHBondContact CD2-N 3.38Å; H472-A507 PolarHBondContact NE2-N 2.93Å; A507-V510 PolarHBondContact O-N 3.39Å; A507-A511 WeakPolarHBondContact O-CB 3.11Å; A507-A511 PolarHBondContact O-N 3.32Å; A507-L523 HydrophobicContact CB-CD1 4.06Å; A507-L523 HydrophobicContact CB-CD2 3.85Å
508V95.9Very high93.7Very high2 Ų234.2 Ų34.21%0.01218%0.181CC..Hα-helixtrans-65.6-44.7176.1-1660000111.3S506 S512 I520 L523 A528 V530 P540 L556S506-V508 PolarHBondContact O-N 2.82Å; V508-S512 WeakPolarHBondContact O-CB 3.44Å; V508-S512 PolarHBondContact O-N 3.17Å; V508-S512 PolarHBondContact O-OG 2.9Å; V508-I520 HydrophobicContact CG1-CG2 4.39Å; V508-L523 HydrophobicContact CG2-CB 4.14Å; V508-L523 HydrophobicContact CG2-CD1 4.23Å; V508-L523 HydrophobicContact CG2-CD2 4.45Å; V508-A528 HydrophobicContact CG2-CB 3.66Å; V508-V530 HydrophobicContact CG1-CG1 4.29Å; V508-P540 HydrophobicContact CB-CB 4.32Å; V508-P540 HydrophobicContact CB-CG 4.09Å; V508-P540 HydrophobicContact CG1-CB 3.76Å; V508-P540 HydrophobicContact CG1-CG 3.91Å; V508-L556 HydrophobicContact CG1-CD2 3.97Å
509H96.1Very high94.3Very high0 Ų031.7 Ų31.70%017%0.168CC..Hα-helixtrans-60.8-45.7175.5-69.587.7000110.9N505 S506 S512 Q513 M532 E538 P540N505-H509 HydrophobicContact CB-CB 3.61Å; S506-H509 PolarHBondContact N-ND1 3.23Å; S506-H509 WeakPolarHBondContact O-CA 3.41Å; S506-H509 WeakPolarHBondContact O-CB 3.49Å; S506-H509 PolarHBondContact O-N 3.11Å; S506-H509 PolarHBondContact OG-ND1 3.42Å; H509-S512 WeakPolarHBondContact O-CB 3.11Å; H509-S512 PolarHBondContact O-N 3.26Å; H509-Q513 VanDerWaalsContact O-CG 3.29Å; H509-Q513 WeakPolarHBondContact O-CG 3.37Å; H509-Q513 PolarHBondContact O-N 3.24Å; H509-M532 PolarHBondContact CE1-O 3.45Å; H509-M532 PolarHBondContact NE2-O 3.15Å; H509-E538 PolarHBondContact NE2-O 3.46Å; H509-E538 VanDerWaalsContact NE2-O 3.08Å; H509-P540 WeakPolarHBondContact NE2-CD 3.44Å
510V95.7Very high94.9Very high11 Ų1129.4 Ų29.47%0.06716%0.157CC..Hα-helixtrans-64.3-45.5-179.3-1790000111.5C476 N505 S506 A507 S512 Q513 H514C476-V510 HydrophobicContact CB-CG1 3.69Å; N505-V510 HydrophobicContact CB-CG2 3.9Å; S506-V510 PolarHBondContact O-N 3.47Å; A507-V510 PolarHBondContact O-N 3.39Å; V510-S512 VanDerWaalsContact C-N 3.29Å; V510-S512 PolarHBondContact O-N 3.45Å; V510-Q513 PolarHBondContact O-N 3.16Å; V510-H514 PolarHBondContact O-N 3.47Å; V510-H514 PolarHBondContact O-ND1 3.16Å
511A96.7Very high95.1Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-64.1-33.7174.500000112.6A507 G515 Y516 C519 I520 L523A507-A511 WeakPolarHBondContact O-CB 3.11Å; A507-A511 PolarHBondContact O-N 3.32Å; A511-G515 PolarHBondContact O-N 2.89Å; A511-Y516 PolarHBondContact O-N 3.36Å; A511-C519 HydrophobicContact CB-CB 4.03Å; A511-I520 HydrophobicContact CB-CG1 3.75Å; A511-L523 HydrophobicContact CB-CD1 4.33Å
512S97Very high95.4Very high0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-67.4-41.1175.5-63.20000112.8V508 H509 V510 H514 G515 P540 A544 H549 L556V508-S512 WeakPolarHBondContact O-CB 3.44Å; V508-S512 PolarHBondContact O-N 3.17Å; V508-S512 PolarHBondContact O-OG 2.9Å; H509-S512 WeakPolarHBondContact O-CB 3.11Å; H509-S512 PolarHBondContact O-N 3.26Å; V510-S512 VanDerWaalsContact C-N 3.29Å; V510-S512 PolarHBondContact O-N 3.45Å; S512-H514 PolarHBondContact O-N 3.33Å; S512-G515 PolarHBondContact O-N 2.94Å; S512-P540 VanDerWaalsContact CB-O 3.31Å; S512-P540 WeakPolarHBondContact CB-O 3.46Å; S512-A544 WeakPolarHBondContact O-CA 3.44Å; S512-H549 PolarHBondContact O-CD2 3.43Å; S512-L556 VanDerWaalsContact OG-CD1 3.22Å; S512-L556 WeakPolarHBondContact OG-CD1 3.4Å
513Q96.5Very high95.6Very high32 Ų3224.4 Ų24.415%0.1513%0.13CC..Hα-helixtrans-68.4-17.6179.7-74.7175.82600114.2N505 H509 V510 Q547 H549N505-Q513 PolarHBondContact OD1-NE2 2.95Å; H509-Q513 VanDerWaalsContact O-CG 3.29Å; H509-Q513 WeakPolarHBondContact O-CG 3.37Å; H509-Q513 PolarHBondContact O-N 3.24Å; V510-Q513 PolarHBondContact O-N 3.16Å; Q513-Q547 HydrophobicContact CB-CG 4.19Å; Q513-Q547 HydrophobicContact CG-CG 4.28Å; Q513-Q547 WeakPolarHBondContact O-CG 3.16Å; Q513-H549 PolarHBondContact O-NE2 2.98Å
514H95.9Very high95.8Very high79 Ų7920.9 Ų20.937%0.36611%0.112SC..THydrogen-bonded Turntrans-113.1-1.1177.6-59.687.7000113.3V510 S512 Y516 H549V510-H514 PolarHBondContact O-N 3.47Å; V510-H514 PolarHBondContact O-ND1 3.16Å; S512-H514 PolarHBondContact O-N 3.33Å; H514-Y516 HydrophobicContact CB-CD2 3.55Å; H514-Y516 HydrophobicContact CB-CE2 3.28Å; H514-H549 VanDerWaalsContact C-NE2 3.26Å
515G96.3Very high95.9Very high23 Ų2327.2 Ų27.224%0.23714%0.141CC..THydrogen-bonded Turntrans79.517171.800000116.5A511 S512 L517 H549 C552A511-G515 PolarHBondContact O-N 2.89Å; S512-G515 PolarHBondContact O-N 2.94Å; G515-L517 PolarHBondContact O-N 2.75Å; G515-H549 PolarHBondContact N-CD2 3.48Å; G515-H549 VanDerWaalsContact N-CD2 3.27Å; G515-H549 PolarHBondContact N-NE2 3.17Å; G515-C552 PolarHBondContact O-SG 3.44Å
516Y97.3Very high95.8Very high89 Ų8929 Ų2935%0.34915%0.147SC..  trans-8178.4-176.5-60.8-66.7000112.5G475 C476 G478 A511 H514 G518 C519 I520G475-Y516 WeakPolarHBondContact O-CD2 3.18Å; C476-Y516 VanDerWaalsContact O-CE2 3.26Å; C476-Y516 WeakPolarHBondContact O-CE2 3.32Å; G478-Y516 VanDerWaalsContact CA-CD1 3.44Å; A511-Y516 PolarHBondContact O-N 3.36Å; H514-Y516 HydrophobicContact CB-CD2 3.55Å; H514-Y516 HydrophobicContact CB-CE2 3.28Å; Y516-G518 VanDerWaalsContact C-N 3.29Å; Y516-G518 PolarHBondContact O-N 3.03Å; Y516-C519 WeakPolarHBondContact O-CB 3.27Å; Y516-C519 PolarHBondContact O-N 3.06Å; Y516-I520 WeakPolarHBondContact O-CG1 3.36Å; Y516-I520 PolarHBondContact O-N 2.78Å; Y516-I520 VanDerWaalsContact O-N 3.07Å
517L96.5Very high95.7Very high53 Ų5331.5 Ų31.528%0.27717%0.172SC..Hα-helixtrans-52.7-39.7-176.7-176.860.4000114.1G515 I520 Q521 Y555G515-L517 PolarHBondContact O-N 2.75Å; L517-I520 PolarHBondContact O-N 3.01Å; L517-Q521 HydrophobicContact CD1-CG 4.32Å; L517-Q521 HydrophobicContact CG-CG 4.42Å; L517-Q521 WeakPolarHBondContact O-CB 3.38Å; L517-Q521 VanDerWaalsContact O-CG 3.31Å; L517-Q521 WeakPolarHBondContact O-CG 3.36Å; L517-Q521 PolarHBondContact O-N 2.86Å; L517-Y555 HydrophobicContact CD1-CD1 3.84Å; L517-Y555 HydrophobicContact CD1-CD2 4.42Å; L517-Y555 HydrophobicContact CD1-CG 3.74Å
518G96.7Very high95.6Very high17 Ų1731.8 Ų31.818%0.17518%0.175CC..Hα-helixtrans-65.5-38.2177.900000113.6E480 Y516 Q521 T522E480-G518 VanDerWaalsContact OE2-CA 3.31Å; E480-G518 WeakPolarHBondContact OE2-CA 3.46Å; Y516-G518 VanDerWaalsContact C-N 3.29Å; Y516-G518 PolarHBondContact O-N 3.03Å; G518-Q521 PolarHBondContact O-N 3.36Å; G518-T522 WeakPolarHBondContact O-CB 3.19Å; G518-T522 PolarHBondContact O-N 2.85Å; G518-T522 PolarHBondContact O-OG1 2.85Å
519C97Very high95.3Very high2 Ų234.3 Ų34.31%0.01419%0.189CC..Hα-helixtrans-63.9-42.9171.1-68.10000111.8L483 A511 Y516 T522 L523L483-C519 HydrophobicContact CD2-CB 3.45Å; L483-C519 VanDerWaalsContact CD2-CB 3.45Å; A511-C519 HydrophobicContact CB-CB 4.03Å; Y516-C519 WeakPolarHBondContact O-CB 3.27Å; Y516-C519 PolarHBondContact O-N 3.06Å; C519-T522 PolarHBondContact O-N 2.91Å; C519-L523 WeakPolarHBondContact O-CB 3.32Å; C519-L523 WeakPolarHBondContact O-CD1 3.45Å; C519-L523 WeakPolarHBondContact O-CG 3.19Å; C519-L523 PolarHBondContact O-N 3.42Å
520I96.9Very high95.2Very high0 Ų034.6 Ų34.60%019%0.19CC..Hα-helixtrans-64.4-43.1178.1-60.3166.3000110.7V508 A511 Y516 L517 L523 V524 C552 Y555 L556V508-I520 HydrophobicContact CG1-CG2 4.39Å; A511-I520 HydrophobicContact CB-CG1 3.75Å; Y516-I520 WeakPolarHBondContact O-CG1 3.36Å; Y516-I520 PolarHBondContact O-N 2.78Å; Y516-I520 VanDerWaalsContact O-N 3.07Å; L517-I520 PolarHBondContact O-N 3.01Å; I520-L523 PolarHBondContact O-N 3.47Å; I520-V524 WeakPolarHBondContact O-CB 3.41Å; I520-V524 VanDerWaalsContact O-CG2 3.31Å; I520-V524 WeakPolarHBondContact O-CG2 3.36Å; I520-V524 PolarHBondContact O-N 2.99Å; I520-C552 HydrophobicContact CD1-CB 3.64Å; I520-Y555 HydrophobicContact CG2-CD1 3.97Å; I520-Y555 HydrophobicContact CG2-CE1 4Å; I520-L556 HydrophobicContact CD1-CD1 4.44Å; I520-L556 HydrophobicContact CG2-CD1 4.17Å; I520-L556 HydrophobicContact CG2-CD2 3.64Å; I520-L556 HydrophobicContact CG2-CG 3.91Å
521Q96.5Very high95Very high74 Ų7437.5 Ų37.535%0.34621%0.208SC..Hα-helixtrans-60-47174.4-76.6171.1-17.800111.3L517 G518 L523 V524 E525 Y555L517-Q521 HydrophobicContact CD1-CG 4.32Å; L517-Q521 HydrophobicContact CG-CG 4.42Å; L517-Q521 WeakPolarHBondContact O-CB 3.38Å; L517-Q521 VanDerWaalsContact O-CG 3.31Å; L517-Q521 WeakPolarHBondContact O-CG 3.36Å; L517-Q521 PolarHBondContact O-N 2.86Å; G518-Q521 PolarHBondContact O-N 3.36Å; Q521-L523 PolarHBondContact O-N 3.26Å; Q521-V524 PolarHBondContact O-N 3.48Å; Q521-E525 WeakPolarHBondContact O-CG 3.42Å; Q521-E525 PolarHBondContact O-N 2.81Å; Q521-Y555 HydrophobicContact CG-CD1 4.49Å; Q521-Y555 HydrophobicContact CG-CE1 3.84Å; Q521-Y555 HydrophobicContact CG-CE2 3.95Å
522T96.4Very high94.8Very high14 Ų1439.4 Ų39.49%0.08622%0.218CC..Hα-helixtrans-61.1-43.4177.7-53.70000111.9E480 L484 L487 G518 C519 E525 Y526E480-T522 WeakPolarHBondContact CG-OG1 3.47Å; L484-T522 HydrophobicContact CB-CG2 3.98Å; L484-T522 HydrophobicContact CD1-CG2 3.98Å; L487-T522 HydrophobicContact CD1-CG2 3.79Å; G518-T522 WeakPolarHBondContact O-CB 3.19Å; G518-T522 PolarHBondContact O-N 2.85Å; G518-T522 PolarHBondContact O-OG1 2.85Å; C519-T522 PolarHBondContact O-N 2.91Å; T522-E525 PolarHBondContact O-N 3.42Å; T522-Y526 HydrophobicContact CG2-CD2 4.48Å; T522-Y526 WeakPolarHBondContact O-CD2 3.3Å; T522-Y526 PolarHBondContact O-N 3.08Å; T522-Y526 VanDerWaalsContact O-N 3.15Å
523L95.3Very high94.7Very high0 Ų045.3 Ų45.30%025%0.245CC..Hα-helixtrans-61.9-42.4175.4-81.2158.4000112.3I471 L483 L487 A507 V508 A511 C519 I520 Q521 Y526 G527 A528I471-L523 HydrophobicContact CD1-CD2 4.14Å; L483-L523 HydrophobicContact CD1-CD2 4.25Å; L483-L523 HydrophobicContact CD1-CG 4.33Å; L483-L523 HydrophobicContact CD2-CD1 4.03Å; L483-L523 HydrophobicContact CD2-CG 4.07Å; L487-L523 HydrophobicContact CD1-CD2 4.26Å; L487-L523 HydrophobicContact CD1-CG 4.43Å; L487-L523 HydrophobicContact CD2-CD2 4.07Å; A507-L523 HydrophobicContact CB-CD1 4.06Å; A507-L523 HydrophobicContact CB-CD2 3.85Å; V508-L523 HydrophobicContact CG2-CB 4.14Å; V508-L523 HydrophobicContact CG2-CD1 4.23Å; V508-L523 HydrophobicContact CG2-CD2 4.45Å; A511-L523 HydrophobicContact CB-CD1 4.33Å; C519-L523 WeakPolarHBondContact O-CB 3.32Å; C519-L523 WeakPolarHBondContact O-CD1 3.45Å; C519-L523 WeakPolarHBondContact O-CG 3.19Å; C519-L523 PolarHBondContact O-N 3.42Å; I520-L523 PolarHBondContact O-N 3.47Å; Q521-L523 PolarHBondContact O-N 3.26Å; L523-Y526 CarbonylContact O-C 3.58Å; L523-Y526 PolarHBondContact O-N 2.88Å; L523-G527 PolarHBondContact O-N 3.37Å; L523-A528 HydrophobicContact CB-CB 4.07Å; L523-A528 HydrophobicContact CD2-CB 3.99Å; L523-A528 VanDerWaalsContact O-CB 3.3Å; L523-A528 WeakPolarHBondContact O-CB 3.35Å; L523-A528 PolarHBondContact O-N 3.11Å
524V94.7Very high94.6Very high32 Ų3244.4 Ų44.419%0.19424%0.241CC..Hα-helixtrans-66.7-39.5176.4167.80000111.9I520 Q521 Y526 G527 V530 Y555 V559I520-V524 WeakPolarHBondContact O-CB 3.41Å; I520-V524 VanDerWaalsContact O-CG2 3.31Å; I520-V524 WeakPolarHBondContact O-CG2 3.36Å; I520-V524 PolarHBondContact O-N 2.99Å; Q521-V524 PolarHBondContact O-N 3.48Å; V524-Y526 VanDerWaalsContact C-N 3.27Å; V524-Y526 PolarHBondContact O-N 2.79Å; V524-G527 PolarHBondContact O-N 3.28Å; V524-V530 HydrophobicContact CG2-CG1 3.56Å; V524-Y555 HydrophobicContact CG2-CE1 4.21Å; V524-V559 HydrophobicContact CG1-CG1 3.65Å; V524-V559 HydrophobicContact CG1-CG2 4.06Å; V524-V559 HydrophobicContact CG2-CG1 4.09Å
525E93.9Very high94.6Very high138 Ų13847.6 Ų47.665%0.64526%0.256SS*.Hα-helixtrans-63-32.7175.8-77.6-172.4-168.800112.9Q521 T522 G527Q521-E525 WeakPolarHBondContact O-CG 3.42Å; Q521-E525 PolarHBondContact O-N 2.81Å; T522-E525 PolarHBondContact O-N 3.42Å; E525-G527 VanDerWaalsContact C-N 3.31Å
526Y92.9Very high94.5Very high43 Ų4350.2 Ų50.217%0.16928%0.275CS..THydrogen-bonded Turntrans-87.54.7173.5-80.9-103.7000113.5L484 L487 Q488 L497 T522 L523 V524L484-Y526 HydrophobicContact CD1-CD2 4.5Å; L484-Y526 HydrophobicContact CD1-CE2 3.48Å; L484-Y526 VanDerWaalsContact CD1-CE2 3.48Å; L487-Y526 HydrophobicContact CB-CD1 3.76Å; L487-Y526 HydrophobicContact CB-CD2 4.35Å; L487-Y526 HydrophobicContact CB-CE1 4.14Å; L487-Y526 HydrophobicContact CB-CG 3.88Å; L487-Y526 HydrophobicContact CD1-CD2 4.23Å; L487-Y526 HydrophobicContact CD1-CG 4.17Å; L487-Y526 HydrophobicContact CG-CG 4.44Å; Q488-Y526 HydrophobicContact CB-CE1 4.4Å; Q488-Y526 PolarHBondContact OE1-OH 3.1Å; L497-Y526 VanDerWaalsContact CD1-O 3.31Å; L497-Y526 WeakPolarHBondContact CD1-O 3.38Å; T522-Y526 HydrophobicContact CG2-CD2 4.48Å; T522-Y526 WeakPolarHBondContact O-CD2 3.3Å; T522-Y526 PolarHBondContact O-N 3.08Å; T522-Y526 VanDerWaalsContact O-N 3.15Å; L523-Y526 CarbonylContact O-C 3.58Å; L523-Y526 PolarHBondContact O-N 2.88Å; V524-Y526 VanDerWaalsContact C-N 3.27Å; V524-Y526 PolarHBondContact O-N 2.79Å
527G90.1Very high94.4Very high52 Ų5247.7 Ų47.754%0.53628%0.276SS..THydrogen-bonded Turntrans86.413.7169.900000116.4L523 V524 E525L523-G527 PolarHBondContact O-N 3.37Å; V524-G527 PolarHBondContact O-N 3.28Å; E525-G527 VanDerWaalsContact C-N 3.31Å
528A92.6Very high94.3Very high7 Ų746.9 Ų46.96%0.05827%0.271CS..  trans-59.1141.4178.300000112.4V508 L523 V530V508-A528 HydrophobicContact CG2-CB 3.66Å; L523-A528 HydrophobicContact CB-CB 4.07Å; L523-A528 HydrophobicContact CD2-CB 3.99Å; L523-A528 VanDerWaalsContact O-CB 3.3Å; L523-A528 WeakPolarHBondContact O-CB 3.35Å; L523-A528 PolarHBondContact O-N 3.11Å; A528-V530 PolarHBondContact O-N 3.07Å
529N91.2Very high94.3Very high55 Ų5548.9 Ų48.929%0.29428%0.275SS..  trans-80.495.2-166.9-175.8-2.7000113.2D498 T531 M532D498-N529 WeakPolarHBondContact OD1-CB 3.36Å; D498-N529 PolarHBondContact OD1-N 2.97Å; D498-N529 WeakPolarHBondContact OD2-CB 3.38Å; N529-T531 PolarHBondContact O-N 2.95Å; N529-T531 VanDerWaalsContact O-N 3.09Å; N529-T531 WeakPolarHBondContact OD1-CB 3.23Å; N529-T531 PolarHBondContact OD1-N 3.38Å; N529-T531 PolarHBondContact OD1-OG1 3.46Å; N529-M532 HydrophobicContact CB-CE 4.23Å; N529-M532 HydrophobicContact CB-CG 3.87Å; N529-M532 HydrophobicContact CB-SD 4.32Å; N529-M532 VanDerWaalsContact ND2-CG 3.34Å; N529-M532 WeakPolarHBondContact ND2-CG 3.26Å; N529-M532 PolarHBondContact O-N 3.45Å
530V93.1Very high94.3Very high6 Ų648.8 Ų48.84%0.03627%0.274CS..THydrogen-bonded Turntrans-63.9-6.6174.9-60.10000115.2V508 V524 A528 P540 L556 V559 E560V508-V530 HydrophobicContact CG1-CG1 4.29Å; V524-V530 HydrophobicContact CG2-CG1 3.56Å; A528-V530 PolarHBondContact O-N 3.07Å; V530-P540 WeakPolarHBondContact O-CD 3.3Å; V530-L556 HydrophobicContact CB-CD2 4.16Å; V530-L556 HydrophobicContact CG1-CD2 3.69Å; V530-V559 HydrophobicContact CG1-CG1 4.2Å; V530-V559 HydrophobicContact CG2-CG1 4.02Å; V530-E560 HydrophobicContact CB-CG 4.33Å; V530-E560 HydrophobicContact CG2-CG 3.8Å
531T92.3Very high94.3Very high71 Ų7149 Ų4944%0.43628%0.276SS..THydrogen-bonded Turntrans-102.4-7.5-176.570.90000114.7N529 E560N529-T531 PolarHBondContact O-N 2.95Å; N529-T531 VanDerWaalsContact O-N 3.09Å; N529-T531 WeakPolarHBondContact OD1-CB 3.23Å; N529-T531 PolarHBondContact OD1-N 3.38Å; N529-T531 PolarHBondContact OD1-OG1 3.46Å; T531-E560 HydrophobicContact CG2-CG 4.38Å
532M92.1Very high94.3Very high41 Ų4149.6 Ų49.620%0.20228%0.279CS..  trans-59.8155.5174.1-63.3-160.6-69.300111.5D498 V500 S506 H509 N529D498-M532 HydrophobicContact CB-CE 3.61Å; D498-M532 HydrophobicContact CB-SD 4.03Å; D498-M532 WeakPolarHBondContact OD1-CE 3.41Å; V500-M532 HydrophobicContact CG1-CE 4.44Å; S506-M532 VanDerWaalsContact CB-CE 3.49Å; H509-M532 PolarHBondContact CE1-O 3.45Å; H509-M532 PolarHBondContact NE2-O 3.15Å; N529-M532 HydrophobicContact CB-CE 4.23Å; N529-M532 HydrophobicContact CB-CG 3.87Å; N529-M532 HydrophobicContact CB-SD 4.32Å; N529-M532 VanDerWaalsContact ND2-CG 3.34Å; N529-M532 WeakPolarHBondContact ND2-CG 3.26Å; N529-M532 PolarHBondContact O-N 3.45Å
533Q95Very high94.3Very high124 Ų12449 Ų4958%0.57928%0.275SS*.  trans-118138.1174-69.1179-48.900110G537 E538 K539Q533-G537 PolarHBondContact NE2-O 3.37Å; Q533-E538 VanDerWaalsContact CA-O 3.27Å; Q533-E538 WeakPolarHBondContact CA-O 3.37Å; Q533-K539 HydrophobicContact CG-CG 4.03Å
534N94.8Very high94.4Very high13 Ų1349 Ų497%0.0728%0.275CS..  trans-77-179.1172.5717.6000112.1D503 G504 N505 A536 G537 E538D503-N534 WeakPolarHBondContact O-CB 3.1Å; G504-N534 WeakPolarHBondContact O-CA 3.35Å; G504-N534 WeakPolarHBondContact O-CB 3.29Å; N505-N534 WeakPolarHBondContact OD1-CB 3.29Å; N505-N534 PolarHBondContact OD1-ND2 2.66Å; N534-A536 PolarHBondContact O-N 2.86Å; N534-A536 VanDerWaalsContact O-N 3.1Å; N534-A536 WeakPolarHBondContact OD1-CA 3.4Å; N534-A536 WeakPolarHBondContact OD1-CB 3.3Å; N534-A536 PolarHBondContact OD1-N 2.71Å; N534-G537 PolarHBondContact O-N 3.25Å; N534-G537 PolarHBondContact OD1-N 2.9Å; N534-E538 PolarHBondContact N-O 2.97Å; N534-E538 WeakPolarHBondContact OD1-CB 3.28Å; N534-E538 PolarHBondContact OD1-N 2.91Å; N534-E538 PolarHBondContact OD1-O 3.15Å
535H95.2Very high94.4Very high146 Ų14653.6 Ų53.668%0.67629%0.294SS*.THydrogen-bonded Turntrans-65-12.5-180-64.4154.5000114.2Q502 D503 G504Q502-H535 PolarHBondContact O-CE1 3.44Å; Q502-H535 PolarHBondContact O-ND1 3.39Å; D503-H535 VanDerWaalsContact O-CB 3.28Å; D503-H535 WeakPolarHBondContact O-CB 3.37Å; D503-H535 PolarHBondContact O-N 2.94Å; G504-H535 PolarHBondContact N-CE1 3.04Å; G504-H535 PolarHBondContact N-ND1 3.27Å
536A93.9Very high94.5Very high77 Ų7752.8 Ų52.864%0.63629%0.285SS*.THydrogen-bonded Turntrans-87.9-1.8169.900000113.5N534 E538N534-A536 PolarHBondContact O-N 2.86Å; N534-A536 VanDerWaalsContact O-N 3.1Å; N534-A536 WeakPolarHBondContact OD1-CA 3.4Å; N534-A536 WeakPolarHBondContact OD1-CB 3.3Å; N534-A536 PolarHBondContact OD1-N 2.71Å; A536-E538 VanDerWaalsContact C-N 3.26Å; A536-E538 HydrophobicContact CB-CG 4.12Å; A536-E538 PolarHBondContact O-N 3.14Å
537G95.3Very high94.7Very high36 Ų3655 Ų5537%0.37130%0.297SS..SBendtrans77.67.2-174.500000114.1Q533 N534Q533-G537 PolarHBondContact NE2-O 3.37Å; N534-G537 PolarHBondContact O-N 3.25Å; N534-G537 PolarHBondContact OD1-N 2.9Å
538E95.5Very high95Very high36 Ų3654.9 Ų54.917%0.16830%0.296CS..  trans-84.4139-179.8-58.8-177.7162.200111H509 Q533 N534 A536 Q542 S543 R546H509-E538 PolarHBondContact NE2-O 3.46Å; H509-E538 VanDerWaalsContact NE2-O 3.08Å; Q533-E538 VanDerWaalsContact CA-O 3.27Å; Q533-E538 WeakPolarHBondContact CA-O 3.37Å; N534-E538 PolarHBondContact N-O 2.97Å; N534-E538 WeakPolarHBondContact OD1-CB 3.28Å; N534-E538 PolarHBondContact OD1-N 2.91Å; N534-E538 PolarHBondContact OD1-O 3.15Å; A536-E538 VanDerWaalsContact C-N 3.26Å; A536-E538 HydrophobicContact CB-CG 4.12Å; A536-E538 PolarHBondContact O-N 3.14Å; E538-Q542 HydrophobicContact CB-CB 4.27Å; E538-S543 WeakPolarHBondContact CB-OG 3.43Å; E538-S543 WeakPolarHBondContact OE2-CB 3.38Å; E538-S543 PolarHBondContact OE2-OG 3.22Å; E538-R546 VanDerWaalsContact CD-NE 3.32Å; E538-R546 VanDerWaalsContact OE1-CD 3.3Å; E538-R546 WeakPolarHBondContact OE1-CD 3.3Å; E538-R546 IonicContact OE1-CZ 2.74Å; E538-R546 IonicContact OE1-NE 2.65Å; E538-R546 PolarHBondContact OE1-NE 3.17Å; E538-R546 IonicContact OE1-NH2 3.96Å; E538-R546 IonicContact OE2-CZ 2.68Å; E538-R546 IonicContact OE2-NE 3.24Å; E538-R546 PolarHBondContact OE2-NE 3.39Å; E538-R546 VanDerWaalsContact OE2-NE 3.12Å; E538-R546 IonicContact OE2-NH2 2.96Å; E538-R546 PolarHBondContact OE2-NH2 3.35Å
539K95.8Very high95.2Very high59 Ų5957.5 Ų57.526%0.25731%0.307SS..  trans-78163.5161.1-70.5-177.9170.1-176.80111.6Q533 S541 Q542 S543 E560Q533-K539 HydrophobicContact CG-CG 4.03Å; K539-S541 WeakPolarHBondContact CB-OG 3.4Å; K539-S541 PolarHBondContact O-N 3.25Å; K539-Q542 HydrophobicContact CB-CG 4.38Å; K539-Q542 WeakPolarHBondContact O-CB 3.27Å; K539-Q542 PolarHBondContact O-N 3.12Å; K539-S543 PolarHBondContact O-N 2.7Å; K539-S543 PolarHBondContact O-OG 2.99Å; K539-E560 VanDerWaalsContact CD-OE2 3.3Å; K539-E560 WeakPolarHBondContact CD-OE2 3.22Å; K539-E560 WeakPolarHBondContact CE-OE2 3.48Å; K539-E560 IonicContact NZ-OE2 2.73Å; K539-E560 PolarHBondContact NZ-OE2 3.22Å
540P96.3Very high95.4Very high0 Ų059.1 Ų59.10%032%0.319CS..Hα-helixtrans-54.8-38173.7-22.731.9000113.4V508 H509 S512 V530 Q542 S543 A544 L556V508-P540 HydrophobicContact CB-CB 4.32Å; V508-P540 HydrophobicContact CB-CG 4.09Å; V508-P540 HydrophobicContact CG1-CB 3.76Å; V508-P540 HydrophobicContact CG1-CG 3.91Å; H509-P540 WeakPolarHBondContact NE2-CD 3.44Å; S512-P540 VanDerWaalsContact CB-O 3.31Å; S512-P540 WeakPolarHBondContact CB-O 3.46Å; V530-P540 WeakPolarHBondContact O-CD 3.3Å; P540-Q542 VanDerWaalsContact C-N 3.31Å; P540-Q542 PolarHBondContact O-N 2.98Å; P540-S543 PolarHBondContact O-N 3.07Å; P540-A544 WeakPolarHBondContact O-CB 3.43Å; P540-A544 PolarHBondContact O-N 3.08Å; P540-L556 HydrophobicContact CB-CD1 4.02Å; P540-L556 HydrophobicContact CB-CD2 4.36Å
541S96.9Very high95.6Very high5 Ų564.7 Ų64.74%0.03535%0.348CS..Hα-helixtrans-60.4-37.4175.845.30000113.2K539 E545 S553 E560K539-S541 WeakPolarHBondContact CB-OG 3.4Å; K539-S541 PolarHBondContact O-N 3.25Å; S541-E545 PolarHBondContact O-N 3.27Å; S541-S553 VanDerWaalsContact O-CB 3.26Å; S541-S553 WeakPolarHBondContact O-CB 3.36Å; S541-S553 PolarHBondContact O-OG 2.94Å; S541-E560 VanDerWaalsContact CB-OE1 3.25Å; S541-E560 WeakPolarHBondContact CB-OE1 3.49Å; S541-E560 PolarHBondContact OG-OE1 3.35Å
542Q96.6Very high95.9Very high87 Ų8761.5 Ų61.541%0.40733%0.328SS..Hα-helixtrans-80.9-39.6179.1-63.8171.5-47.400111.3E538 K539 P540 A544 E545 R546E538-Q542 HydrophobicContact CB-CB 4.27Å; K539-Q542 HydrophobicContact CB-CG 4.38Å; K539-Q542 WeakPolarHBondContact O-CB 3.27Å; K539-Q542 PolarHBondContact O-N 3.12Å; P540-Q542 VanDerWaalsContact C-N 3.31Å; P540-Q542 PolarHBondContact O-N 2.98Å; Q542-A544 VanDerWaalsContact C-N 3.31Å; Q542-A544 PolarHBondContact O-N 2.94Å; Q542-E545 PolarHBondContact O-N 2.74Å; Q542-E545 VanDerWaalsContact O-N 3.14Å; Q542-R546 PolarHBondContact O-N 3.39Å
543S96.2Very high96.1Very high0 Ų060 Ų600%032%0.322CS..Hα-helixtrans-63.6-35.8172.2-58.30000112.1E538 K539 P540 Q547E538-S543 WeakPolarHBondContact CB-OG 3.43Å; E538-S543 WeakPolarHBondContact OE2-CB 3.38Å; E538-S543 PolarHBondContact OE2-OG 3.22Å; K539-S543 PolarHBondContact O-N 2.7Å; K539-S543 PolarHBondContact O-OG 2.99Å; P540-S543 PolarHBondContact O-N 3.07Å; S543-Q547 WeakPolarHBondContact O-CG 3.28Å; S543-Q547 PolarHBondContact O-N 3.19Å
544A97.1Very high96.2Very high0 Ų063 Ų630%033%0.328CS..Hα-helixtrans-62.9-43.5169.600000112.1S512 P540 Q542 Q547 G548 H549 C552S512-A544 WeakPolarHBondContact O-CA 3.44Å; P540-A544 WeakPolarHBondContact O-CB 3.43Å; P540-A544 PolarHBondContact O-N 3.08Å; Q542-A544 VanDerWaalsContact C-N 3.31Å; Q542-A544 PolarHBondContact O-N 2.94Å; A544-Q547 PolarHBondContact O-N 3.3Å; A544-G548 PolarHBondContact O-N 3.2Å; A544-H549 HydrophobicContact CB-CB 4.3Å; A544-H549 WeakPolarHBondContact O-CA 3.35Å; A544-H549 PolarHBondContact O-N 2.85Å; A544-C552 HydrophobicContact CB-CB 3.98Å
545E96.7Very high96.3Very high130 Ų13065.3 Ų65.361%0.60734%0.337SS*.Hα-helixtrans-63.8-46.4179-172172.7-16100111.9S541 Q542 Q547 G548S541-E545 PolarHBondContact O-N 3.27Å; Q542-E545 PolarHBondContact O-N 2.74Å; Q542-E545 VanDerWaalsContact O-N 3.14Å; E545-Q547 PolarHBondContact O-N 2.89Å; E545-G548 PolarHBondContact O-N 3.32Å
546R95.8Very high96.4Very high120 Ų12058.4 Ų58.445%0.45330%0.304SS..Hα-helixtrans-56.6-36.2176.4174.9172.952.875.4-7.7113E538 Q542 G548E538-R546 VanDerWaalsContact CD-NE 3.32Å; E538-R546 VanDerWaalsContact OE1-CD 3.3Å; E538-R546 WeakPolarHBondContact OE1-CD 3.3Å; E538-R546 IonicContact OE1-CZ 2.74Å; E538-R546 IonicContact OE1-NE 2.65Å; E538-R546 PolarHBondContact OE1-NE 3.17Å; E538-R546 IonicContact OE1-NH2 3.96Å; E538-R546 IonicContact OE2-CZ 2.68Å; E538-R546 IonicContact OE2-NE 3.24Å; E538-R546 PolarHBondContact OE2-NE 3.39Å; E538-R546 VanDerWaalsContact OE2-NE 3.12Å; E538-R546 IonicContact OE2-NH2 2.96Å; E538-R546 PolarHBondContact OE2-NH2 3.35Å; Q542-R546 PolarHBondContact O-N 3.39Å; R546-G548 VanDerWaalsContact C-N 3.31Å
547Q95.9Very high96.5Very high90 Ų9058 Ų5842%0.42129%0.294SS..THydrogen-bonded Turntrans-89.14.6179-55-72.674.800112.6Q513 S543 A544 E545 H549Q513-Q547 HydrophobicContact CB-CG 4.19Å; Q513-Q547 HydrophobicContact CG-CG 4.28Å; Q513-Q547 WeakPolarHBondContact O-CG 3.16Å; S543-Q547 WeakPolarHBondContact O-CG 3.28Å; S543-Q547 PolarHBondContact O-N 3.19Å; A544-Q547 PolarHBondContact O-N 3.3Å; E545-Q547 PolarHBondContact O-N 2.89Å; Q547-H549 VanDerWaalsContact C-N 3.35Å; Q547-H549 PolarHBondContact O-N 3.49Å
548G95.9Very high96.6Very high50 Ų5060.3 Ų60.352%0.51530%0.3SS..THydrogen-bonded Turntrans81.63.9177.100000115.4A544 E545 R546 T550A544-G548 PolarHBondContact O-N 3.2Å; E545-G548 PolarHBondContact O-N 3.32Å; R546-G548 VanDerWaalsContact C-N 3.31Å; G548-T550 PolarHBondContact O-N 3.27Å
549H97.5Very high96.6Very high61 Ų6159.5 Ų59.528%0.28230%0.298SS..  trans-80.562-178-59.5-54.6000112.2S512 Q513 H514 G515 A544 Q547 L551 C552 S553S512-H549 PolarHBondContact O-CD2 3.43Å; Q513-H549 PolarHBondContact O-NE2 2.98Å; H514-H549 VanDerWaalsContact C-NE2 3.26Å; G515-H549 PolarHBondContact N-CD2 3.48Å; G515-H549 VanDerWaalsContact N-CD2 3.27Å; G515-H549 PolarHBondContact N-NE2 3.17Å; A544-H549 HydrophobicContact CB-CB 4.3Å; A544-H549 WeakPolarHBondContact O-CA 3.35Å; A544-H549 PolarHBondContact O-N 2.85Å; Q547-H549 VanDerWaalsContact C-N 3.35Å; Q547-H549 PolarHBondContact O-N 3.49Å; H549-L551 VanDerWaalsContact C-N 3.27Å; H549-L551 PolarHBondContact O-N 3.13Å; H549-L551 VanDerWaalsContact O-N 3.15Å; H549-C552 HydrophobicContact CB-CB 4.17Å; H549-C552 WeakPolarHBondContact O-CB 3.37Å; H549-C552 PolarHBondContact O-N 3.05Å; H549-S553 PolarHBondContact O-N 3.32Å
550T96.3Very high96.4Very high90 Ų9057.9 Ų57.955%0.55229%0.292SS*.Hα-helixtrans-53.6-35.5-174.356.20000114.5G548 R554G548-T550 PolarHBondContact O-N 3.27Å; T550-R554 WeakPolarHBondContact O-CB 3.46Å; T550-R554 VanDerWaalsContact O-CG 3.26Å; T550-R554 WeakPolarHBondContact O-CG 3.3Å; T550-R554 PolarHBondContact O-N 2.9Å
551L97Very high96.3Very high123 Ų12361.9 Ų61.964%0.64432%0.316SS*.Hα-helixtrans-65.4-41.7175.4-67.2178000112.2H549 Y555H549-L551 VanDerWaalsContact C-N 3.27Å; H549-L551 PolarHBondContact O-N 3.13Å; H549-L551 VanDerWaalsContact O-N 3.15Å; L551-Y555 WeakPolarHBondContact O-CB 3.36Å; L551-Y555 PolarHBondContact O-N 3.41Å
552C97.4Very high96.1Very high3 Ų365.1 Ų65.12%0.0234%0.338CS..Hα-helixtrans-68.2-45.8177.4-64.10000110.8G515 I520 A544 H549 Y555 L556G515-C552 PolarHBondContact O-SG 3.44Å; I520-C552 HydrophobicContact CD1-CB 3.64Å; A544-C552 HydrophobicContact CB-CB 3.98Å; H549-C552 HydrophobicContact CB-CB 4.17Å; H549-C552 WeakPolarHBondContact O-CB 3.37Å; H549-C552 PolarHBondContact O-N 3.05Å; C552-Y555 PolarHBondContact O-N 3.37Å; C552-L556 WeakPolarHBondContact O-CB 3.34Å; C552-L556 WeakPolarHBondContact O-CD1 3.4Å; C552-L556 WeakPolarHBondContact O-CG 3.27Å; C552-L556 PolarHBondContact O-N 2.86Å
553S97.3Very high95.8Very high11 Ų1165.6 Ų65.68%0.07734%0.341CS..Hα-helixtrans-57.1-50.7175.1-179.70000111.7S541 H549 Y555 L556 V557S541-S553 VanDerWaalsContact O-CB 3.26Å; S541-S553 WeakPolarHBondContact O-CB 3.36Å; S541-S553 PolarHBondContact O-OG 2.94Å; H549-S553 PolarHBondContact O-N 3.32Å; S553-Y555 PolarHBondContact O-N 3.3Å; S553-L556 PolarHBondContact O-N 3.23Å; S553-V557 WeakPolarHBondContact O-CG2 3.35Å; S553-V557 PolarHBondContact O-N 3.45Å
554R96.9Very high95.6Very high187 Ų18769.7 Ų69.771%0.70637%0.37SS*.Hα-helixtrans-61.7-40.1177.8-73.5178.869.6177.82.5112.9T550 V558T550-R554 WeakPolarHBondContact O-CB 3.46Å; T550-R554 VanDerWaalsContact O-CG 3.26Å; T550-R554 WeakPolarHBondContact O-CG 3.3Å; T550-R554 PolarHBondContact O-N 2.9Å; R554-V558 WeakPolarHBondContact O-CG2 3.28Å; R554-V558 PolarHBondContact O-N 2.73Å
555Y97.8Very high95.4Very high61 Ų6175.1 Ų75.124%0.23940%0.398CS..Hα-helixtrans-61.5-48.9174.2174.4-101.2000111.1L517 I520 Q521 V524 L551 C552 S553 V557 V558 V559L517-Y555 HydrophobicContact CD1-CD1 3.84Å; L517-Y555 HydrophobicContact CD1-CD2 4.42Å; L517-Y555 HydrophobicContact CD1-CG 3.74Å; I520-Y555 HydrophobicContact CG2-CD1 3.97Å; I520-Y555 HydrophobicContact CG2-CE1 4Å; Q521-Y555 HydrophobicContact CG-CD1 4.49Å; Q521-Y555 HydrophobicContact CG-CE1 3.84Å; Q521-Y555 HydrophobicContact CG-CE2 3.95Å; V524-Y555 HydrophobicContact CG2-CE1 4.21Å; L551-Y555 WeakPolarHBondContact O-CB 3.36Å; L551-Y555 PolarHBondContact O-N 3.41Å; C552-Y555 PolarHBondContact O-N 3.37Å; S553-Y555 PolarHBondContact O-N 3.3Å; Y555-V557 PolarHBondContact O-N 2.89Å; Y555-V558 WeakPolarHBondContact O-CB 3.48Å; Y555-V558 PolarHBondContact O-N 3.25Å; Y555-V558 VanDerWaalsContact O-N 3.17Å; Y555-V559 HydrophobicContact CD1-CG2 4.19Å; Y555-V559 HydrophobicContact CD2-CG2 4.44Å; Y555-V559 HydrophobicContact CE1-CG2 3.69Å; Y555-V559 HydrophobicContact CE2-CG2 3.97Å; Y555-V559 WeakPolarHBondContact O-CG2 3.49Å; Y555-V559 PolarHBondContact O-N 3.04Å
556L96.4Very high95.2Very high0 Ų071.3 Ų71.30%039%0.389CS..Hα-helixtrans-62.9-42.5-179.6-74.2158.1000112.6V508 S512 I520 V530 P540 C552 S553 V558 V559 E560V508-L556 HydrophobicContact CG1-CD2 3.97Å; S512-L556 VanDerWaalsContact OG-CD1 3.22Å; S512-L556 WeakPolarHBondContact OG-CD1 3.4Å; I520-L556 HydrophobicContact CD1-CD1 4.44Å; I520-L556 HydrophobicContact CG2-CD1 4.17Å; I520-L556 HydrophobicContact CG2-CD2 3.64Å; I520-L556 HydrophobicContact CG2-CG 3.91Å; V530-L556 HydrophobicContact CB-CD2 4.16Å; V530-L556 HydrophobicContact CG1-CD2 3.69Å; P540-L556 HydrophobicContact CB-CD1 4.02Å; P540-L556 HydrophobicContact CB-CD2 4.36Å; C552-L556 WeakPolarHBondContact O-CB 3.34Å; C552-L556 WeakPolarHBondContact O-CD1 3.4Å; C552-L556 WeakPolarHBondContact O-CG 3.27Å; C552-L556 PolarHBondContact O-N 2.86Å; S553-L556 PolarHBondContact O-N 3.23Å; L556-V558 VanDerWaalsContact C-N 3.29Å; L556-V558 PolarHBondContact O-N 2.89Å; L556-V559 PolarHBondContact O-N 3.31Å; L556-V559 VanDerWaalsContact O-N 3.13Å; L556-E560 WeakPolarHBondContact O-CB 3.46Å; L556-E560 WeakPolarHBondContact O-CG 3.35Å; L556-E560 PolarHBondContact O-N 2.85Å
557V96.3Very high94.9Very high68 Ų6869.4 Ų69.441%0.41239%0.394SS..Hα-helixtrans-61.3-37.1174.9172.50000111.8S553 Y555 T561S553-V557 WeakPolarHBondContact O-CG2 3.35Å; S553-V557 PolarHBondContact O-N 3.45Å; Y555-V557 PolarHBondContact O-N 2.89Å; V557-T561 WeakPolarHBondContact O-CB 3.46Å; V557-T561 WeakPolarHBondContact O-CG2 3.45Å; V557-T561 PolarHBondContact O-N 3.29Å; V557-T561 PolarHBondContact O-OG1 3.17Å
558V96.3Very high94.9Very high85 Ų8569.4 Ų69.452%0.51539%0.394SS..Hα-helixtrans-67.4-42.3173171.10000111.2R554 Y555 L556 T561 C562R554-V558 WeakPolarHBondContact O-CG2 3.28Å; R554-V558 PolarHBondContact O-N 2.73Å; Y555-V558 WeakPolarHBondContact O-CB 3.48Å; Y555-V558 PolarHBondContact O-N 3.25Å; Y555-V558 VanDerWaalsContact O-N 3.17Å; L556-V558 VanDerWaalsContact C-N 3.29Å; L556-V558 PolarHBondContact O-N 2.89Å; V558-T561 PolarHBondContact O-OG1 3.02Å; V558-T561 VanDerWaalsContact O-OG1 3.13Å; V558-C562 VanDerWaalsContact O-CB 3.25Å; V558-C562 WeakPolarHBondContact O-CB 3.39Å; V558-C562 PolarHBondContact O-N 2.93Å; V558-C562 PolarHBondContact O-SG 2.77Å
559V95.3Very high94.8Very high19 Ų1970.7 Ų70.712%0.11539%0.392CS..Hα-helixtrans-63.1-47.7175.7175.50000111.3V524 V530 Y555 L556 T561 C562 M563V524-V559 HydrophobicContact CG1-CG1 3.65Å; V524-V559 HydrophobicContact CG1-CG2 4.06Å; V524-V559 HydrophobicContact CG2-CG1 4.09Å; V530-V559 HydrophobicContact CG1-CG1 4.2Å; V530-V559 HydrophobicContact CG2-CG1 4.02Å; Y555-V559 HydrophobicContact CD1-CG2 4.19Å; Y555-V559 HydrophobicContact CD2-CG2 4.44Å; Y555-V559 HydrophobicContact CE1-CG2 3.69Å; Y555-V559 HydrophobicContact CE2-CG2 3.97Å; Y555-V559 WeakPolarHBondContact O-CG2 3.49Å; Y555-V559 PolarHBondContact O-N 3.04Å; L556-V559 PolarHBondContact O-N 3.31Å; L556-V559 VanDerWaalsContact O-N 3.13Å; V559-T561 PolarHBondContact O-N 3Å; V559-C562 PolarHBondContact O-N 2.71Å; V559-M563 HydrophobicContact CG1-CG 4.15Å; V559-M563 WeakPolarHBondContact O-CB 3.46Å; V559-M563 WeakPolarHBondContact O-CG 3.37Å; V559-M563 PolarHBondContact O-N 3.24Å
560E93.2Very high94.7Very high26 Ų2671.8 Ų71.812%0.12140%0.403CS..Hα-helixtrans-56.5-47.7177.3-75.9-174.1-117.600112.2V530 T531 K539 S541 L556 M563 S564V530-E560 HydrophobicContact CB-CG 4.33Å; V530-E560 HydrophobicContact CG2-CG 3.8Å; T531-E560 HydrophobicContact CG2-CG 4.38Å; K539-E560 VanDerWaalsContact CD-OE2 3.3Å; K539-E560 WeakPolarHBondContact CD-OE2 3.22Å; K539-E560 WeakPolarHBondContact CE-OE2 3.48Å; K539-E560 IonicContact NZ-OE2 2.73Å; K539-E560 PolarHBondContact NZ-OE2 3.22Å; S541-E560 VanDerWaalsContact CB-OE1 3.25Å; S541-E560 WeakPolarHBondContact CB-OE1 3.49Å; S541-E560 PolarHBondContact OG-OE1 3.35Å; L556-E560 WeakPolarHBondContact O-CB 3.46Å; L556-E560 WeakPolarHBondContact O-CG 3.35Å; L556-E560 PolarHBondContact O-N 2.85Å; E560-M563 PolarHBondContact O-N 3.04Å; E560-S564 WeakPolarHBondContact O-CB 3.4Å; E560-S564 PolarHBondContact O-N 3.22Å
561T93.6Very high94.6Very high83 Ų8373.5 Ų73.551%0.50940%0.402SS..Hα-helixtrans-69.3-39.1-179.849.50000112.2V557 V558 V559 S564 L565V557-T561 WeakPolarHBondContact O-CB 3.46Å; V557-T561 WeakPolarHBondContact O-CG2 3.45Å; V557-T561 PolarHBondContact O-N 3.29Å; V557-T561 PolarHBondContact O-OG1 3.17Å; V558-T561 PolarHBondContact O-OG1 3.02Å; V558-T561 VanDerWaalsContact O-OG1 3.13Å; V559-T561 PolarHBondContact O-N 3Å; T561-S564 PolarHBondContact O-N 2.87Å; T561-L565 WeakPolarHBondContact O-CB 3.25Å; T561-L565 PolarHBondContact O-N 3.15Å
562C93.3Very high94.6Very high74 Ų7472 Ų7250%0.539%0.394SS..Hα-helixtrans-62.9-43.6172.3-76.20000112.6V558 V559 L565 A566V558-C562 VanDerWaalsContact O-CB 3.25Å; V558-C562 WeakPolarHBondContact O-CB 3.39Å; V558-C562 PolarHBondContact O-N 2.93Å; V558-C562 PolarHBondContact O-SG 2.77Å; V559-C562 PolarHBondContact O-N 2.71Å; C562-L565 PolarHBondContact O-N 3.09Å; C562-A566 VanDerWaalsContact O-CB 3.27Å; C562-A566 WeakPolarHBondContact O-CB 3.44Å; C562-A566 PolarHBondContact O-N 3.32Å
563M89.9Confident94.5Very high97 Ų9774.6 Ų74.648%0.47841%0.41SS..Hα-helixtrans-66.2-41.2177.9-71.9-70.3-84.300111.8V559 E560 A566 S567V559-M563 HydrophobicContact CG1-CG 4.15Å; V559-M563 WeakPolarHBondContact O-CB 3.46Å; V559-M563 WeakPolarHBondContact O-CG 3.37Å; V559-M563 PolarHBondContact O-N 3.24Å; E560-M563 PolarHBondContact O-N 3.04Å; M563-A566 PolarHBondContact O-N 3.03Å; M563-S567 WeakPolarHBondContact O-CB 3.46Å; M563-S567 PolarHBondContact O-N 3.35Å
564S90.9Very high94.4Very high85 Ų8579.3 Ų79.359%0.59443%0.43SS*.Hα-helixtrans-61.4-47.6174-173.10000111.9E560 T561 S567 Q568E560-S564 WeakPolarHBondContact O-CB 3.4Å; E560-S564 PolarHBondContact O-N 3.22Å; T561-S564 PolarHBondContact O-N 2.87Å; S564-S567 PolarHBondContact O-N 3.13Å; S564-Q568 PolarHBondContact O-N 3.35Å
565L93.8Very high94.3Very high114 Ų11475 Ų7560%0.59742%0.417SS*.Hα-helixtrans-63.4-43177-179.260.2000111.9T561 C562 S567 Q568 V569T561-L565 WeakPolarHBondContact O-CB 3.25Å; T561-L565 PolarHBondContact O-N 3.15Å; C562-L565 PolarHBondContact O-N 3.09Å; L565-S567 PolarHBondContact O-N 2.95Å; L565-Q568 PolarHBondContact O-N 3.1Å; L565-V569 HydrophobicContact CD1-CG2 4.32Å; L565-V569 WeakPolarHBondContact O-CG2 3.2Å; L565-V569 PolarHBondContact O-N 2.84Å
566A91.4Very high94.2Very high50 Ų5077.7 Ų77.741%0.41344%0.435SS..Hα-helixtrans-60.8-44.2176.900000111.9C562 M563 Q568 V569 V570C562-A566 VanDerWaalsContact O-CB 3.27Å; C562-A566 WeakPolarHBondContact O-CB 3.44Å; C562-A566 PolarHBondContact O-N 3.32Å; M563-A566 PolarHBondContact O-N 3.03Å; A566-Q568 PolarHBondContact O-N 2.93Å; A566-V569 PolarHBondContact O-N 2.92Å; A566-V570 WeakPolarHBondContact O-CG2 3.03Å; A566-V570 PolarHBondContact O-N 3.15Å
567S91.1Very high94.2Very high81 Ų8184.3 Ų84.357%0.56646%0.464SS*.Hα-helixtrans-58.8-45.7174.7-176.10000111.9M563 S564 L565 V569 V570 K571M563-S567 WeakPolarHBondContact O-CB 3.46Å; M563-S567 PolarHBondContact O-N 3.35Å; S564-S567 PolarHBondContact O-N 3.13Å; L565-S567 PolarHBondContact O-N 2.95Å; S567-V569 PolarHBondContact O-N 3.1Å; S567-V570 PolarHBondContact O-N 3.3Å; S567-K571 WeakPolarHBondContact O-CB 3.5Å; S567-K571 PolarHBondContact O-N 3.44Å
568Q94.3Very high94.2Very high90 Ų9085 Ų8542%0.42146%0.463SS..Hα-helixtrans-66-38.3176.9-177.359.715.100112.5S564 L565 A566 K571 L572S564-Q568 PolarHBondContact O-N 3.35Å; L565-Q568 PolarHBondContact O-N 3.1Å; A566-Q568 PolarHBondContact O-N 2.93Å; Q568-K571 PolarHBondContact O-N 3.38Å; Q568-L572 HydrophobicContact CG-CD1 4.13Å; Q568-L572 WeakPolarHBondContact O-CB 3.42Å; Q568-L572 WeakPolarHBondContact O-CG 3.43Å; Q568-L572 PolarHBondContact O-N 2.95Å
569V95.8Very high94.1Very high76 Ų7686.4 Ų86.446%0.46146%0.464SS..Hα-helixtrans-64.4-41.7174.4168.30000111.2L565 A566 S567 T573L565-V569 HydrophobicContact CD1-CG2 4.32Å; L565-V569 WeakPolarHBondContact O-CG2 3.2Å; L565-V569 PolarHBondContact O-N 2.84Å; A566-V569 PolarHBondContact O-N 2.92Å; S567-V569 PolarHBondContact O-N 3.1Å; V569-T573 VanDerWaalsContact O-CB 3.23Å; V569-T573 WeakPolarHBondContact O-CB 3.24Å; V569-T573 PolarHBondContact O-N 3.17Å; V569-T573 PolarHBondContact O-OG1 3.27Å
570V94.9Very high94.1Very high85 Ų8589.1 Ų89.152%0.51548%0.481SS..Hα-helixtrans-62.4-44.5174.3169.80000110.9A566 S567 T573 K574A566-V570 WeakPolarHBondContact O-CG2 3.03Å; A566-V570 PolarHBondContact O-N 3.15Å; S567-V570 PolarHBondContact O-N 3.3Å; V570-T573 PolarHBondContact O-N 2.93Å; V570-K574 PolarHBondContact O-N 2.93Å
571K94.8Very high94.3Very high126 Ų12692.3 Ų92.355%0.54850%0.502SS..Hα-helixtrans-60.8-49.1177.6-172.4173.8-177.4174.90112.3S567 Q568 T573 K574 Q575S567-K571 WeakPolarHBondContact O-CB 3.5Å; S567-K571 PolarHBondContact O-N 3.44Å; Q568-K571 PolarHBondContact O-N 3.38Å; K571-T573 VanDerWaalsContact C-N 3.32Å; K571-T573 PolarHBondContact O-N 3.38Å; K571-K574 PolarHBondContact O-N 3.36Å; K571-Q575 WeakPolarHBondContact O-CG 3.24Å; K571-Q575 PolarHBondContact O-N 2.97Å
572L95.4Very high94.3Very high90 Ų9092.9 Ų92.947%0.47150%0.498SS..Hα-helixtrans-63.2-37.4175.4-70.2170.4000112Q568 Q575 L576Q568-L572 HydrophobicContact CG-CD1 4.13Å; Q568-L572 WeakPolarHBondContact O-CB 3.42Å; Q568-L572 WeakPolarHBondContact O-CG 3.43Å; Q568-L572 PolarHBondContact O-N 2.95Å; L572-Q575 PolarHBondContact O-N 3.34Å; L572-L576 VanDerWaalsContact O-CB 3.32Å; L572-L576 WeakPolarHBondContact O-CB 3.25Å; L572-L576 PolarHBondContact O-N 3.21Å
573T95.1Very high94.4Very high58 Ų5898.5 Ų98.536%0.35651%0.509SS..Hα-helixtrans-67.8-35.6176.7-59.60000112.1V569 V570 K571 K577V569-T573 VanDerWaalsContact O-CB 3.23Å; V569-T573 WeakPolarHBondContact O-CB 3.24Å; V569-T573 PolarHBondContact O-N 3.17Å; V569-T573 PolarHBondContact O-OG1 3.27Å; V570-T573 PolarHBondContact O-N 2.93Å; K571-T573 VanDerWaalsContact C-N 3.32Å; K571-T573 PolarHBondContact O-N 3.38Å; T573-K577 HydrophobicContact CG2-CD 4.39Å; T573-K577 VanDerWaalsContact O-CG 3.28Å; T573-K577 WeakPolarHBondContact O-CG 3.38Å; T573-K577 PolarHBondContact O-N 2.87Å; T573-K577 VanDerWaalsContact O-N 3.07Å
574K95.7Very high94.7Very high111 Ų11197.2 Ų97.248%0.48351%0.507SS..Hα-helixtrans-63.2-52.4172176.8173.3170.6175.70110.5V570 K571 L576 K577 E578V570-K574 PolarHBondContact O-N 2.93Å; K571-K574 PolarHBondContact O-N 3.36Å; K574-L576 VanDerWaalsContact C-N 3.32Å; K574-L576 PolarHBondContact O-N 2.85Å; K574-K577 WeakPolarHBondContact O-CB 3.33Å; K574-K577 PolarHBondContact O-N 2.86Å; K574-E578 WeakPolarHBondContact CE-OE1 3.45Å; K574-E578 HydrophobicContact CG-CG 4.48Å; K574-E578 IonicContact NZ-OE1 2.94Å; K574-E578 WeakPolarHBondContact O-CG 3.44Å; K574-E578 PolarHBondContact O-N 3.09Å
575Q95.9Very high94.9Very high95 Ų9596.1 Ų96.144%0.44450%0.496SS..Hα-helixtrans-58.4-41.3178-69.3177.3-4500112.6K571 L572 K577 E578 Q579K571-Q575 WeakPolarHBondContact O-CG 3.24Å; K571-Q575 PolarHBondContact O-N 2.97Å; L572-Q575 PolarHBondContact O-N 3.34Å; Q575-K577 PolarHBondContact O-N 3.4Å; Q575-E578 WeakPolarHBondContact CA-OE2 3.34Å; Q575-E578 PolarHBondContact O-N 3.06Å; Q575-Q579 WeakPolarHBondContact O-CB 3.2Å; Q575-Q579 WeakPolarHBondContact O-CG 3.47Å; Q575-Q579 PolarHBondContact O-N 2.99Å
576L95.7Very high94.9Very high118 Ų11895.9 Ų95.962%0.61850%0.495SS*.Hα-helixtrans-65.2-37.2176.4-178.461.7000112.4L572 K574 T580L572-L576 VanDerWaalsContact O-CB 3.32Å; L572-L576 WeakPolarHBondContact O-CB 3.25Å; L572-L576 PolarHBondContact O-N 3.21Å; K574-L576 VanDerWaalsContact C-N 3.32Å; K574-L576 PolarHBondContact O-N 2.85Å; L576-T580 VanDerWaalsContact O-CB 3.31Å; L576-T580 WeakPolarHBondContact O-CB 3.3Å; L576-T580 PolarHBondContact O-N 3.43Å; L576-T580 PolarHBondContact O-OG1 3Å
577K95.3Very high95Very high139 Ų13999.4 Ų99.460%0.60450%0.503SS*.Hα-helixtrans-66.9-44.7174-75.9171.4178.7179.30111.4T573 K574 Q575 T580 V581T573-K577 HydrophobicContact CG2-CD 4.39Å; T573-K577 VanDerWaalsContact O-CG 3.28Å; T573-K577 WeakPolarHBondContact O-CG 3.38Å; T573-K577 PolarHBondContact O-N 2.87Å; T573-K577 VanDerWaalsContact O-N 3.07Å; K574-K577 WeakPolarHBondContact O-CB 3.33Å; K574-K577 PolarHBondContact O-N 2.86Å; Q575-K577 PolarHBondContact O-N 3.4Å; K577-T580 WeakPolarHBondContact O-CB 3.42Å; K577-T580 PolarHBondContact O-N 3.47Å; K577-T580 VanDerWaalsContact O-N 3.16Å; K577-V581 WeakPolarHBondContact O-CG2 3.46Å; K577-V581 PolarHBondContact O-N 3.43Å
578E96Very high95.2Very high84 Ų84100 Ų10039%0.39350%0.5SS..Hα-helixtrans-58.8-51.9177.5-70.8164156.100110.8K574 Q575 T580 V581 E582K574-E578 WeakPolarHBondContact CE-OE1 3.45Å; K574-E578 HydrophobicContact CG-CG 4.48Å; K574-E578 IonicContact NZ-OE1 2.94Å; K574-E578 WeakPolarHBondContact O-CG 3.44Å; K574-E578 PolarHBondContact O-N 3.09Å; Q575-E578 WeakPolarHBondContact CA-OE2 3.34Å; Q575-E578 PolarHBondContact O-N 3.06Å; E578-T580 VanDerWaalsContact C-N 3.27Å; E578-T580 PolarHBondContact O-N 3.05Å; E578-V581 PolarHBondContact O-N 2.95Å; E578-V581 VanDerWaalsContact O-N 3.07Å; E578-E582 PolarHBondContact O-N 3.46Å
579Q94.4Very high95.2Very high114 Ų114100.5 Ų100.553%0.53350%0.502SS..Hα-helixtrans-61.2-31.5174.4-71.9-66.5-71.200113.7Q575 E582 R583Q575-Q579 WeakPolarHBondContact O-CB 3.2Å; Q575-Q579 WeakPolarHBondContact O-CG 3.47Å; Q575-Q579 PolarHBondContact O-N 2.99Å; Q579-E582 PolarHBondContact NE2-OE1 3.16Å; Q579-E582 PolarHBondContact NE2-OE2 3.5Å; Q579-R583 WeakPolarHBondContact O-CB 3.12Å; Q579-R583 PolarHBondContact O-N 3.27Å
580T95.3Very high95Very high76 Ų76102.1 Ų102.147%0.46651%0.507SS..Hα-helixtrans-70.5-40.1173.8-60.10000111.4L576 K577 E578 R583 V584L576-T580 VanDerWaalsContact O-CB 3.31Å; L576-T580 WeakPolarHBondContact O-CB 3.3Å; L576-T580 PolarHBondContact O-N 3.43Å; L576-T580 PolarHBondContact O-OG1 3Å; K577-T580 WeakPolarHBondContact O-CB 3.42Å; K577-T580 PolarHBondContact O-N 3.47Å; K577-T580 VanDerWaalsContact O-N 3.16Å; E578-T580 VanDerWaalsContact C-N 3.27Å; E578-T580 PolarHBondContact O-N 3.05Å; T580-R583 PolarHBondContact O-N 2.98Å; T580-V584 WeakPolarHBondContact O-CG2 3.34Å; T580-V584 PolarHBondContact O-N 3.29Å
581V97Very high94.8Very high93 Ų93102.9 Ų102.956%0.56451%0.505SS*.Hα-helixtrans-65.2-47.2175.21710000110.5K577 E578 R583 V584 T585K577-V581 WeakPolarHBondContact O-CG2 3.46Å; K577-V581 PolarHBondContact O-N 3.43Å; E578-V581 PolarHBondContact O-N 2.95Å; E578-V581 VanDerWaalsContact O-N 3.07Å; V581-R583 VanDerWaalsContact C-N 3.33Å; V581-R583 PolarHBondContact O-N 2.94Å; V581-V584 PolarHBondContact O-N 2.95Å; V581-V584 VanDerWaalsContact O-N 3.11Å; V581-T585 HydrophobicContact CG1-CG2 4.31Å; V581-T585 WeakPolarHBondContact O-CG2 3.45Å; V581-T585 PolarHBondContact O-N 3.31Å; V581-T585 PolarHBondContact O-OG1 2.89Å
582E94.8Very high94.6Very high95 Ų95103.6 Ų103.644%0.44451%0.511SS..Hα-helixtrans-55.9-44.9174.5-72.9171.2-13600112.1E578 Q579 V584 T585 L586E578-E582 PolarHBondContact O-N 3.46Å; Q579-E582 PolarHBondContact NE2-OE1 3.16Å; Q579-E582 PolarHBondContact NE2-OE2 3.5Å; E582-V584 VanDerWaalsContact C-N 3.32Å; E582-V584 PolarHBondContact O-N 3.26Å; E582-T585 WeakPolarHBondContact CA-OG1 3.3Å; E582-T585 PolarHBondContact O-N 2.98Å; E582-T585 PolarHBondContact O-OG1 3.3Å; E582-L586 WeakPolarHBondContact O-CB 3.5Å; E582-L586 VanDerWaalsContact O-CG 3.28Å; E582-L586 WeakPolarHBondContact O-CG 3.17Å; E582-L586 PolarHBondContact O-N 3.4Å
583R94.6Very high94.3Very high192 Ų192106.3 Ų106.373%0.72552%0.519SS*.Hα-helixtrans-61.8-39.5176.3-177.4176176.7168.91.5112.3Q579 T580 V581 Q587Q579-R583 WeakPolarHBondContact O-CB 3.12Å; Q579-R583 PolarHBondContact O-N 3.27Å; T580-R583 PolarHBondContact O-N 2.98Å; V581-R583 VanDerWaalsContact C-N 3.33Å; V581-R583 PolarHBondContact O-N 2.94Å; R583-Q587 WeakPolarHBondContact O-CB 3.26Å; R583-Q587 PolarHBondContact O-N 2.64Å
584V96Very high93.9Very high70 Ų70108.3 Ų108.342%0.42453%0.527SS..Hα-helixtrans-73.3-38.5178.9169.70000111.8T580 V581 E582 Q587 N588T580-V584 WeakPolarHBondContact O-CG2 3.34Å; T580-V584 PolarHBondContact O-N 3.29Å; V581-V584 PolarHBondContact O-N 2.95Å; V581-V584 VanDerWaalsContact O-N 3.11Å; E582-V584 VanDerWaalsContact C-N 3.32Å; E582-V584 PolarHBondContact O-N 3.26Å; V584-Q587 PolarHBondContact O-N 3.23Å; V584-N588 WeakPolarHBondContact O-CB 3.5Å; V584-N588 VanDerWaalsContact O-CG 3.28Å; V584-N588 PolarHBondContact O-N 2.97Å; V584-N588 PolarHBondContact O-ND2 3.44Å
585T95.6Very high93.3Very high62 Ų62107.1 Ų107.138%0.3852%0.523SS..Hα-helixtrans-67.5-42175.855.50000111.4V581 E582 Q587 N588 Q589V581-T585 HydrophobicContact CG1-CG2 4.31Å; V581-T585 WeakPolarHBondContact O-CG2 3.45Å; V581-T585 PolarHBondContact O-N 3.31Å; V581-T585 PolarHBondContact O-OG1 2.89Å; E582-T585 WeakPolarHBondContact CA-OG1 3.3Å; E582-T585 PolarHBondContact O-N 2.98Å; E582-T585 PolarHBondContact O-OG1 3.3Å; T585-Q587 PolarHBondContact O-N 3.48Å; T585-N588 PolarHBondContact O-N 2.96Å; T585-Q589 WeakPolarHBondContact O-CG 3.49Å; T585-Q589 PolarHBondContact O-N 3.42Å
586L94.6Very high92.3Very high109 Ų109105 Ų10557%0.57152%0.521SS*.Hα-helixtrans-60.8-41.3172.2-72.3169.8000112.2E582 Q589 L590E582-L586 WeakPolarHBondContact O-CB 3.5Å; E582-L586 VanDerWaalsContact O-CG 3.28Å; E582-L586 WeakPolarHBondContact O-CG 3.17Å; E582-L586 PolarHBondContact O-N 3.4Å; L586-Q589 PolarHBondContact O-N 3.2Å; L586-L590 WeakPolarHBondContact O-CB 3.48Å; L586-L590 PolarHBondContact O-N 3.5Å
587Q93.6Very high91.1Very high124 Ų124105.6 Ų105.658%0.57952%0.521SS*.Hα-helixtrans-64.5-39.5175.4-175.8173.2-8.800112.2R583 V584 T585 L590 Q591R583-Q587 WeakPolarHBondContact O-CB 3.26Å; R583-Q587 PolarHBondContact O-N 2.64Å; V584-Q587 PolarHBondContact O-N 3.23Å; T585-Q587 PolarHBondContact O-N 3.48Å; Q587-L590 PolarHBondContact O-N 3.45Å; Q587-Q591 PolarHBondContact O-N 2.85Å
588N93.7Very high89.7Confident92 Ų92106.1 Ų106.149%0.49252%0.523SS..Hα-helixtrans-68.7-39.4176-73-23.7000112.3V584 T585 Q591 Q592V584-N588 WeakPolarHBondContact O-CB 3.5Å; V584-N588 VanDerWaalsContact O-CG 3.28Å; V584-N588 PolarHBondContact O-N 2.97Å; V584-N588 PolarHBondContact O-ND2 3.44Å; T585-N588 PolarHBondContact O-N 2.96Å; N588-Q591 PolarHBondContact O-N 3.46Å; N588-Q592 WeakPolarHBondContact O-CG 3.36Å; N588-Q592 PolarHBondContact O-N 2.87Å
589Q94.8Very high87.9Confident102 Ų102105.8 Ų105.848%0.47753%0.531SS..Hα-helixtrans-61.4-44.4172.6-73.4173.57.300111.1T585 L586 Q591 Q592 F593T585-Q589 WeakPolarHBondContact O-CG 3.49Å; T585-Q589 PolarHBondContact O-N 3.42Å; L586-Q589 PolarHBondContact O-N 3.2Å; Q589-Q591 VanDerWaalsContact C-N 3.35Å; Q589-Q591 PolarHBondContact O-N 2.73Å; Q589-Q592 PolarHBondContact O-N 2.95Å; Q589-F593 WeakPolarHBondContact O-CD2 3.47Å; Q589-F593 PolarHBondContact O-N 3Å
590L92.6Very high85.9Confident109 Ų109107.1 Ų107.157%0.57154%0.537SS*.Hα-helixtrans-60-44175.5-17173.5000111.5L586 Q587 Q592 F593 L594L586-L590 WeakPolarHBondContact O-CB 3.48Å; L586-L590 PolarHBondContact O-N 3.5Å; Q587-L590 PolarHBondContact O-N 3.45Å; L590-Q592 PolarHBondContact O-N 2.55Å; L590-F593 PolarHBondContact O-N 1.87Å; L590-L594 HydrophobicContact CG-CD1 4.24Å; L590-L594 VanDerWaalsContact O-CG 3.3Å; L590-L594 WeakPolarHBondContact O-CG 3.4Å; L590-L594 PolarHBondContact O-N 2.62Å
591Q91.1Very high83.8Confident101 Ų101107 Ų10747%0.47255%0.551SS.*Hα-helixtrans-61-43.6174.9-175.263.640.100111.6Q587 N588 Q589 L594 E595Q587-Q591 PolarHBondContact O-N 2.85Å; N588-Q591 PolarHBondContact O-N 3.46Å; Q589-Q591 VanDerWaalsContact C-N 3.35Å; Q589-Q591 PolarHBondContact O-N 2.73Å; Q591-L594 PolarHBondContact O-N 3.2Å; Q591-E595 PolarHBondContact NE2-OE2 3.15Å; Q591-E595 WeakPolarHBondContact O-CB 3.04Å; Q591-E595 PolarHBondContact O-N 3.1Å
592Q89.1Confident81.4Confident141 Ų141111.6 Ų111.666%0.65956%0.563SS**Hα-helixtrans-62.9-42177-74.9178.7-9.500112.3N588 Q589 L590 L594 E595 A596N588-Q592 WeakPolarHBondContact O-CG 3.36Å; N588-Q592 PolarHBondContact O-N 2.87Å; Q589-Q592 PolarHBondContact O-N 2.95Å; L590-Q592 PolarHBondContact O-N 2.55Å; Q592-L594 VanDerWaalsContact C-N 3.35Å; Q592-L594 PolarHBondContact O-N 2.91Å; Q592-E595 PolarHBondContact O-N 2.99Å; Q592-A596 VanDerWaalsContact O-CB 3.28Å; Q592-A596 WeakPolarHBondContact O-CB 3.25Å; Q592-A596 PolarHBondContact O-N 3.34Å
593F88.6Confident78.8Confident147 Ų147111.8 Ų111.865%0.64558%0.575SS**Hα-helixtrans-61.6-40.7173.7-91.7-74000112.4Q589 L590 A596 Q597Q589-F593 WeakPolarHBondContact O-CD2 3.47Å; Q589-F593 PolarHBondContact O-N 3Å; L590-F593 PolarHBondContact O-N 1.87Å; F593-A596 PolarHBondContact O-N 3.16Å; F593-Q597 WeakPolarHBondContact O-CB 3.33Å; F593-Q597 WeakPolarHBondContact O-CG 3.47Å; F593-Q597 PolarHBondContact O-N 3.4Å
594L87.2Confident76.2Confident100 Ų100110.9 Ų110.952%0.52458%0.584SS.*Hα-helixtrans-68.1-37.2176.9-69.9168.8000112.4L590 Q591 Q592 K598L590-L594 HydrophobicContact CG-CD1 4.24Å; L590-L594 VanDerWaalsContact O-CG 3.3Å; L590-L594 WeakPolarHBondContact O-CG 3.4Å; L590-L594 PolarHBondContact O-N 2.62Å; Q591-L594 PolarHBondContact O-N 3.2Å; Q592-L594 VanDerWaalsContact C-N 3.35Å; Q592-L594 PolarHBondContact O-N 2.91Å; L594-K598 VanDerWaalsContact O-CB 3.28Å; L594-K598 WeakPolarHBondContact O-CB 3.46Å; L594-K598 PolarHBondContact O-N 2.89Å
595E83.5Confident73.7Confident87 Ų87113.1 Ų113.141%0.40760%0.6SS.*Hα-helixtrans-71.9-36175.7-140.270.9-120.600111.9Q591 Q592 K598 S599Q591-E595 PolarHBondContact NE2-OE2 3.15Å; Q591-E595 WeakPolarHBondContact O-CB 3.04Å; Q591-E595 PolarHBondContact O-N 3.1Å; Q592-E595 PolarHBondContact O-N 2.99Å; E595-K598 WeakPolarHBondContact O-CB 3.44Å; E595-K598 PolarHBondContact O-N 3.09Å; E595-K598 WeakPolarHBondContact OE1-CD 3.42Å; E595-K598 WeakPolarHBondContact OE1-CE 3.45Å; E595-K598 IonicContact OE1-NZ 2.71Å; E595-K598 PolarHBondContact OE1-NZ 2.89Å; E595-S599 PolarHBondContact O-N 3.08Å
596A75.9Confident70.8Confident49 Ų49115 Ų11541%0.40562%0.615SS.*Hα-helixtrans-65.4-49.5176.100000112.2Q592 F593 K598 S599 E600Q592-A596 VanDerWaalsContact O-CB 3.28Å; Q592-A596 WeakPolarHBondContact O-CB 3.25Å; Q592-A596 PolarHBondContact O-N 3.34Å; F593-A596 PolarHBondContact O-N 3.16Å; A596-K598 PolarHBondContact O-N 3.48Å; A596-S599 WeakPolarHBondContact O-CA 3.47Å; A596-S599 WeakPolarHBondContact O-CB 3.43Å; A596-S599 PolarHBondContact O-N 3.23Å; A596-S599 PolarHBondContact O-OG 2.94Å; A596-E600 PolarHBondContact O-N 3.49Å
597Q70.1Confident68Low132 Ų132115.3 Ų115.362%0.61763%0.627SS**Hα-helixtrans-56.1-35.2174.5-77.8-72.4-30.500112.4F593 S599F593-Q597 WeakPolarHBondContact O-CB 3.33Å; F593-Q597 WeakPolarHBondContact O-CG 3.47Å; F593-Q597 PolarHBondContact O-N 3.4Å; Q597-S599 PolarHBondContact O-N 2.8Å
598K66.3Low66.2Low149 Ų149115 Ų11565%0.64864%0.635SS**Hα-helixtrans-74.7-9.3177.2-176.3177.1163.4-157.50113.6L594 E595 A596L594-K598 VanDerWaalsContact O-CB 3.28Å; L594-K598 WeakPolarHBondContact O-CB 3.46Å; L594-K598 PolarHBondContact O-N 2.89Å; E595-K598 WeakPolarHBondContact O-CB 3.44Å; E595-K598 PolarHBondContact O-N 3.09Å; E595-K598 WeakPolarHBondContact OE1-CD 3.42Å; E595-K598 WeakPolarHBondContact OE1-CE 3.45Å; E595-K598 IonicContact OE1-NZ 2.71Å; E595-K598 PolarHBondContact OE1-NZ 2.89Å; A596-K598 PolarHBondContact O-N 3.48Å
599S56.6Low63.1Low78 Ų78116.2 Ų116.255%0.54565%0.651SS.*Hα-helixtrans-96.7-37.1176.3790000113.7E595 A596 Q597 G601E595-S599 PolarHBondContact O-N 3.08Å; A596-S599 WeakPolarHBondContact O-CA 3.47Å; A596-S599 WeakPolarHBondContact O-CB 3.43Å; A596-S599 PolarHBondContact O-N 3.23Å; A596-S599 PolarHBondContact O-OG 2.94Å; Q597-S599 PolarHBondContact O-N 2.8Å; S599-G601 VanDerWaalsContact C-N 3.32Å; S599-G601 PolarHBondContact O-N 3.18Å
600E52.1Low60.5Low141 Ų141116.9 Ų116.966%0.65967%0.667SS**Hα-helixtrans-69.3-29.1179.4-67.2-167.6124.100112.7A596 K602A596-E600 PolarHBondContact O-N 3.49Å; E600-K602 PolarHBondContact O-N 2.85Å
601G52.9Low58.3Low74 Ų74117 Ų11776%0.76367%0.674SS**THydrogen-bonded Turntrans-68.924.6-179.400000116.3S599S599-G601 VanDerWaalsContact C-N 3.32Å; S599-G601 PolarHBondContact O-N 3.18Å
602K45.4Very low55.4Low190 Ų190117.4 Ų117.483%0.82669%0.688SS**THydrogen-bonded Turntrans-130.83.1-169.3-117.6176.3-178.2178.80116.6E600E600-K602 PolarHBondContact O-N 2.85Å
603S41.4Very low52.8Low99 Ų99115.9 Ų115.969%0.69269%0.693SS**  trans-119.460.3-175.560.90000114.6
604L40.2Very low51Low173 Ų173114.7 Ų114.791%0.90670%0.7SS**  trans-139.7116.7163.4-75.8179.1000110.7
605P43.4Very low48.2Very low116 Ų116114.3 Ų114.375%0.75371%0.711SS**  trans-95.1143.9178.735.3-32.8000113.9
606S34Very low45.5Very low102 Ų102115 Ų11571%0.71373%0.725SS**  trans45.9106.5151.259.20000120.7
607S36.3Very low43.2Very low116 Ų116124 Ų12481%0.81175%0.749SS**  36.4160.8100.7-48.70000121.3
608P55.5Low41.7Very low116 Ų116127 Ų12775%0.75376%0.759SS**  cis-131.7169.5-13.338.5-22.6000114.6
609S28Very low40Very low118 Ų118125.2 Ų125.283%0.82577%0.766SS**  163.6145.6124.450.40000113.1
610S40.5Very low38.6Very low116 Ų116128.5 Ų128.581%0.81177%0.772SS**  trans-115.2155.4161.3-46.60000107.3
611P47.1Very low37.3Very low111 Ų111132.4 Ų132.472%0.72178%0.781SS**  -155.5170.487.240.4-22.6000116.8
612S28.8Very low36Very low110 Ų110137.7 Ų137.777%0.76978%0.783SS**  trans67.3157.1152.977.90000117.1
613S35.4Very low35.5Very low110 Ų110132.8 Ų132.877%0.76977%0.773SS**  cis-176.1178.6-12.1-105.40000107.8
614P51.4Low35.5Very low121 Ų121133.8 Ų133.879%0.78678%0.777SS**  cis-127-172-13.732.1-10.9000113.4
615A28.2Very low35Very low92 Ų92133 Ų13376%0.7677%0.773SS**  trans-67.9169.8173.700000114.4
616C25.4Very low34.6Very low103 Ų103131.5 Ų131.570%0.69677%0.771SS**  163.5143.396.9-1520000115.3
617R28.9Very low34.5Very low238 Ų238133.9 Ų133.990%0.89878%0.776SS**  trans71.4171155.9-78.7157.7-165.4-127.5-0.7119.8
618K38.5Very low34.1Very low194 Ų194135.6 Ų135.684%0.84378%0.776SS**  trans-110.1175.4-164.1-58.6179.3177.2-178.30111.2
619S29.2Very low32.9Very low111 Ų111136.7 Ų136.778%0.77678%0.776SS**  trans76.8151.5167.184.20000114.6
620Q27.2Very low33Very low147 Ų147135.8 Ų135.869%0.68777%0.769SS**  cis-174.8153.6-15.1156.7173-24.200109.4
621W24.5Very low32.4Very low223 Ų223136.4 Ų136.485%0.84577%0.768SS**  trans66.1173.6176.1-66.1-1.7000116.4
622K26.9Very low31.6Very low186 Ų186134.7 Ų134.781%0.80976%0.763SS**  cis-170.6152.2-48.6-166.3176.7-179-1710107.6
623S34.7Very low31.6Very low87 Ų87139.1 Ų139.161%0.60877%0.768SS**  trans-64.3156.8170.7-168.70000112.3
624P42.3Very low31.3Very low120 Ų120139.1 Ų139.178%0.77977%0.769SS**  -140.7150.5108.838.5-26.7000116.3
625D29.1Very low30.2Very low155 Ų155142.9 Ų142.983%0.82977%0.773SS**  trans-90.2151.2153.3-62.2-80.1000110.2
626A35.4Very low30.9Very low85 Ų85144.8 Ų144.870%0.70278%0.777SS**  trans-177.6147.2168.700000108.5
627D31.1Very low30.9Very low152 Ų152143.1 Ų143.181%0.81378%0.777SS**  cis-164.2-174.9-9.8-99.8-34.5000108.7
628D27.6Very low30.9Very low152 Ų152137.8 Ų137.881%0.81377%0.771SS**  trans85.191.3151.6-115.4-125.2000123.4
629D30.2Very low30.5Very low140 Ų140136 Ų13675%0.74977%0.765SS**  56.4146.4115-143.3-0.3000125.8
630S29.9Very low30.4Very low98 Ų98138.4 Ų138.469%0.68577%0.765SS**  trans80.1155146.792.20000120
631V28.6Very low30.5Very low130 Ų130134.6 Ų134.679%0.78876%0.764SS**  cis-163143-19.3118.70000112.9
632A29.8Very low30.8Very low75 Ų75130.8 Ų130.862%0.6276%0.759SS**  trans55.4139.7151.200000126.6
633K28.7Very low30.9Very low202 Ų202130.4 Ų130.488%0.87876%0.76SS**  trans68.7151.8140.9-73.6166.9-173.9174.40119.2
634S28.9Very low30.7Very low111 Ų111132.6 Ų132.678%0.77677%0.77SS**  cis-162.2159.4-3.838.10000113.3
635K29.8Very low30Very low200 Ų200134.9 Ų134.987%0.8777%0.774SS**  trans-84.5-177.8161-68.4-173175.2-176.30110.4
636P43.1Very low29.9Very low132 Ų132131.1 Ų131.186%0.85777%0.772SS**  cis-139-169.54.543.8-24.4000116.4
637G25.7Very low29.5Very low68 Ų68132.3 Ų132.370%0.70178%0.776SS**  trans144.8114169.200000110.7
638V28.7Very low29.3Very low126 Ų126133 Ų13376%0.76478%0.778SS**  cis104121.736.7169.10000111.3
639Q28.6Very low29.2Very low155 Ų155131.5 Ų131.572%0.72478%0.78SS**  trans23.9155.6152.8-72.1156.3-85.400121
640E27.3Very low29.1Very low163 Ų163129.3 Ų129.376%0.76278%0.781SS**  cis-166-177.516-136.8153.4-136.800112.4
641G29.5Very low29Very low66 Ų66130.8 Ų130.868%0.6879%0.791SS**  trans91.2126.7164.900000115.7
642I31.7Very low29.1Very low144 Ų144130.5 Ų130.574%0.73880%0.795SS**  cis101.5103.523.5-61.6174000114.5
643Q28.9Very low29.1Very low178 Ų178138.6 Ų138.683%0.83281%0.81SS**  trans61.9151.5155.5-60.9167.411.200116.9
644V29.7Very low29Very low132 Ų132133.7 Ų133.780%0.881%0.807SS**  -156.917254.7159.90000111.1
645L28.2Very low29Very low168 Ų168139.9 Ų139.988%0.8881%0.813SS**  trans-69.8159-177.2-57.984.4000115.6
646G26.6Very low29.3Very low76 Ų76136.2 Ų136.278%0.78481%0.81SS**  trans-177.2131.1162.600000111.7
647S26.5Very low28.7Very low111 Ų111140 Ų14078%0.77681%0.813SS**  trans-117.3163.2-164.9-57.10000114.8
648L26.6Very low29Very low166 Ų166141.1 Ų141.187%0.86982%0.815SS**  trans71.2113164.3-51.4176.2000118.3
649S26.9Very low29.3Very low121 Ų121145 Ų14585%0.84682%0.822SS**  169.7157.7100.251.10000114.9
650A28.3Very low29.4Very low94 Ų94145.1 Ų145.178%0.77783%0.827SS**  trans11122.5164.500000122.4
651S26.8Very low30.3Very low128 Ų128145.1 Ų145.190%0.89583%0.827SS**  trans33.6107131.7-163.60000119.3
652S30.3Very low31Very low124 Ų124146.2 Ų146.287%0.86782%0.818SS**  trans-140.5163.5158.364.60000111.9
653R29.8Very low31.6Very low246 Ų246143.9 Ų143.993%0.92881%0.814SS**  trans-104.1156.4-163-167.2-179.9-170.2171.94112
654A28.1Very low32.1Very low99 Ų99138.9 Ų138.982%0.81879%0.793SS**  trans81.2135.6168.200000117.6
655R27.2Very low33.1Very low241 Ų241138.1 Ų138.191%0.90978%0.779SS**  trans-136.6105.5173.1-172.1-175.5-166.2-167.76.2109.2
656P36.4Very low34.2Very low122 Ų122135.8 Ų135.879%0.79277%0.766SS**  trans-75.9164.3170.431.6-33.2000111.5
657K30.4Very low35.1Very low213 Ų213137.3 Ų137.393%0.92676%0.756SS**  trans-90.3134.2-179.2-66.9179.3176.9179.70112.6
658A32.2Very low36.2Very low91 Ų91139.7 Ų139.775%0.75275%0.748SS**  trans-144111.1147.600000106.2
659K34.5Very low37.3Very low208 Ų208139.2 Ų139.290%0.90474%0.741SS**  69.3111.399.9-77.1-163.1174.3-165.60114
660D31.8Very low38Very low156 Ų156140.3 Ų140.383%0.83474%0.736SS**  trans-144.5144.7140.2-1627.3000108.8
661E46.8Very low38.8Very low163 Ų163143 Ų14376%0.76274%0.737SS**  trans-133.979.1-172.4-88.1-155.7136.400112.7K665E661-K665 PolarHBondContact O-NZ 3.02Å
662D43.8Very low39Very low90 Ų90139.9 Ų139.948%0.48173%0.725SS.*  trans-144.3-9.4165.1-117.7-43000118.2D664 K665D662-D664 PolarHBondContact O-N 3.23Å; D662-K665 PolarHBondContact O-N 3.2Å; D662-K665 WeakPolarHBondContact OD1-CD 3.46Å; D662-K665 WeakPolarHBondContact OD1-CE 3.46Å; D662-K665 WeakPolarHBondContact OD1-CG 3.02Å; D662-K665 IonicContact OD1-NZ 2.69Å; D662-K665 PolarHBondContact OD1-NZ 3.24Å; D662-K665 IonicContact OD2-NZ 2.93Å; D662-K665 PolarHBondContact OD2-NZ 2.9Å
663S43.4Very low39.2Very low94 Ų94143.1 Ų143.166%0.65772%0.724SS**Hα-helixtrans-58.2-32.8172.549.40000113.1K665S663-K665 PolarHBondContact O-N 3.37Å
664D40.6Very low39.3Very low74 Ų74140.6 Ų140.640%0.39672%0.723SS.*Hα-helixtrans-82.5-12.8-169.2-154.129.5000113.6D662 R668D662-D664 PolarHBondContact O-N 3.23Å; D664-R668 VanDerWaalsContact CG-NH2 3.25Å; D664-R668 VanDerWaalsContact O-CZ 3.24Å; D664-R668 PolarHBondContact O-NE 2.84Å; D664-R668 PolarHBondContact O-NH2 3.34Å; D664-R668 IonicContact OD1-CZ 3.84Å; D664-R668 IonicContact OD1-NH1 3.17Å; D664-R668 PolarHBondContact OD1-NH1 2.96Å; D664-R668 VanDerWaalsContact OD1-NH1 3.17Å; D664-R668 IonicContact OD1-NH2 3.99Å; D664-R668 IonicContact OD2-CZ 3.12Å; D664-R668 IonicContact OD2-NH1 2.7Å; D664-R668 PolarHBondContact OD2-NH1 3.46Å; D664-R668 IonicContact OD2-NH2 2.71Å; D664-R668 PolarHBondContact OD2-NH2 3.45Å
665K50.1Low39.7Very low116 Ų116143.7 Ų143.750%0.50472%0.724SS.*Hα-helixtrans-82-34.7173.6-53.3-164-165.278.60111.7E661 D662 S663 Q669E661-K665 PolarHBondContact O-NZ 3.02Å; D662-K665 PolarHBondContact O-N 3.2Å; D662-K665 WeakPolarHBondContact OD1-CD 3.46Å; D662-K665 WeakPolarHBondContact OD1-CE 3.46Å; D662-K665 WeakPolarHBondContact OD1-CG 3.02Å; D662-K665 IonicContact OD1-NZ 2.69Å; D662-K665 PolarHBondContact OD1-NZ 3.24Å; D662-K665 IonicContact OD2-NZ 2.93Å; D662-K665 PolarHBondContact OD2-NZ 2.9Å; S663-K665 PolarHBondContact O-N 3.37Å; K665-Q669 PolarHBondContact O-N 3.46Å
666I50.5Low39.9Very low119 Ų119137 Ų13761%0.6171%0.713SS**Hα-helixtrans-69.2-44.3179-60.8176.2000110.7R668 Q669 L670I666-R668 PolarHBondContact O-N 3.15Å; I666-Q669 PolarHBondContact O-N 3.2Å; I666-L670 PolarHBondContact O-N 2.83Å
667L45.4Very low39.7Very low107 Ų107139.5 Ų139.556%0.5672%0.715SS**Hα-helixtrans-60.5-41.7176.6-74.4168.4000112.5Q669 L670L667-Q669 PolarHBondContact O-N 3.16Å; L667-L670 PolarHBondContact O-N 3.19Å
668R50.4Low39.6Very low161 Ų161136.7 Ų136.761%0.60871%0.71SS**Hα-helixtrans-69.9-14.2177.8-79.4-168.4-80-853.3114.9D664 I666D664-R668 VanDerWaalsContact CG-NH2 3.25Å; D664-R668 VanDerWaalsContact O-CZ 3.24Å; D664-R668 PolarHBondContact O-NE 2.84Å; D664-R668 PolarHBondContact O-NH2 3.34Å; D664-R668 IonicContact OD1-CZ 3.84Å; D664-R668 IonicContact OD1-NH1 3.17Å; D664-R668 PolarHBondContact OD1-NH1 2.96Å; D664-R668 VanDerWaalsContact OD1-NH1 3.17Å; D664-R668 IonicContact OD1-NH2 3.99Å; D664-R668 IonicContact OD2-CZ 3.12Å; D664-R668 IonicContact OD2-NH1 2.7Å; D664-R668 PolarHBondContact OD2-NH1 3.46Å; D664-R668 IonicContact OD2-NH2 2.71Å; D664-R668 PolarHBondContact OD2-NH2 3.45Å; I666-R668 PolarHBondContact O-N 3.15Å
669Q50.1Low39.3Very low156 Ų156139.3 Ų139.373%0.72972%0.716SS**Hα-helixtrans-92-21.9177.7-170.453.57900113.4K665 I666 L667K665-Q669 PolarHBondContact O-N 3.46Å; I666-Q669 PolarHBondContact O-N 3.2Å; L667-Q669 PolarHBondContact O-N 3.16Å
670L41.1Very low39Very low144 Ų144134.2 Ų134.275%0.75471%0.705SS**Hα-helixtrans-84.5-29.5177.1-79.2163.2000113.4I666 L667 G672I666-L670 PolarHBondContact O-N 2.83Å; L667-L670 PolarHBondContact O-N 3.19Å; L670-G672 VanDerWaalsContact C-N 3.25Å; L670-G672 PolarHBondContact O-N 3.19Å
671L46.1Very low38.9Very low151 Ų151133.1 Ų133.179%0.79170%0.704SS**SBendtrans-85.860.8178.2-75.3162.1000111.9K673L671-K673 PolarHBondContact O-N 3.38Å
672G30.3Very low38Very low63 Ų63132.2 Ų132.265%0.64970%0.7SS**  trans-74.279-170.200000116.7L670L670-G672 VanDerWaalsContact C-N 3.25Å; L670-G672 PolarHBondContact O-N 3.19Å
673K33.8Very low37.3Very low192 Ų192135.8 Ų135.884%0.83571%0.714SS**  trans58.2115.2153-63.3-178.1176.4-179.40119.6L671L671-K673 PolarHBondContact O-N 3.38Å
674E32.4Very low37Very low193 Ų193140.1 Ų140.190%0.90272%0.721SS**  trans-76.3156.1148.4-63-175.3134.400111.9
675I36.7Very low36.3Very low164 Ų164145 Ų14584%0.84175%0.747SS**  trans-150.6136.9157.7-16174.8000105.2
676S31.2Very low35.2Very low99 Ų99144.1 Ų144.169%0.69276%0.755SS**  cis-144.1151.111.8-173.50000110.9
677E32.4Very low34.2Very low175 Ų175145.7 Ų145.782%0.81876%0.764SS**  trans-66.3158.1158.2-62.1178.3105.800111
678N29.2Very low33.3Very low155 Ų155149.3 Ų149.383%0.82978%0.778SS**  -179.6108.3128.8-95.8-38.3000112.2
679V25.8Very low32.1Very low146 Ų146150.9 Ų150.989%0.88579%0.789SS**  trans166.1122.1131.3154.70000108
680C28.3Very low31.1Very low100 Ų100152.2 Ų152.268%0.67680%0.795SS**  trans-106.7134.3176.7172.10000110.5
681T28.8Very low30.4Very low133 Ų133152.6 Ų152.682%0.81680%0.798SS**  trans-149.4131140.747.50000110.9
682Q28.1Very low29.6Very low145 Ų145150.5 Ų150.568%0.67880%0.802SS**  trans-58.3172.5153.7-73.3150.9-110.800110.1
683E29.7Very low29.4Very low165 Ų165156.5 Ų156.577%0.77181%0.813SS**  cis-158.1175.227.2-156.9128.9-122.600114.6
684K36.2Very low29.2Very low185 Ų185151.2 Ų151.280%0.80481%0.806SS**  trans-96.4131.7179.9160-162.7177.2-172.60110.2
685L25.1Very low28.9Very low177 Ų177147.6 Ų147.693%0.92780%0.802SS**  trans-136.9159.3161.8-78.6-178000111.7
686S28Very low28.5Very low96 Ų96144.5 Ų144.567%0.67180%0.795SS**  trans-153.9144.6-171.3-163.50000110
687L28.6Very low28.6Very low153 Ų153150.1 Ų150.180%0.80180%0.801SS**  trans63157.9-172.1-64.5101.1000113.2
688E26.8Very low28.5Very low183 Ų183148.5 Ų148.586%0.85580%0.798SS**  cis-153.1-176.229.7-154.5157.1-159.400113.4
689F26.5Very low28.6Very low194 Ų194145.4 Ų145.485%0.85179%0.788SS**  trans-93.3139.5-179.4-113.9-106.5000111.8
690Q28.2Very low29Very low184 Ų184148 Ų14886%0.8679%0.788SS**  176165.8122.5-99.6178.410.800114.7
691D27.3Very low29.8Very low152 Ų152153 Ų15381%0.81380%0.798SS**  trans-73.2151.7-172-56-98.7000116.3
692A27.5Very low30.4Very low106 Ų106154.6 Ų154.688%0.87680%0.8SS**  trans-153.9138.1139.400000112.7
693Q27.8Very low31.4Very low189 Ų189152 Ų15288%0.88380%0.796SS**  trans-68.8164.9-176.8-87.1-89.3-1.600116.2
694A27.7Very low32.3Very low82 Ų82151.9 Ų151.968%0.67880%0.799SS**  trans76.1101147.600000122.1
695S27.8Very low33.1Very low116 Ų116150.1 Ų150.181%0.81179%0.794SS**  51.5111.4120.9174.80000120.9
696S28.3Very low34.3Very low99 Ų99150.6 Ų150.669%0.69279%0.789SS**  -178.1138.598.2-166.40000114.1
697R32.4Very low35.3Very low217 Ų217156.1 Ų156.182%0.81980%0.795SS**  trans14.9133.9148.3-64.5173.5-174.5170.42.6118.6
698N30.1Very low36.5Very low141 Ų141156.1 Ų156.175%0.75479%0.79SS**  cis-161.7151.235.3-110.6-21.7000114.1
699S30.7Very low37.9Very low91 Ų91153.7 Ų153.764%0.63678%0.783SS**  trans21.1140.2150.359.40000122.4
700K34.9Very low39.5Very low201 Ų201152.3 Ų152.387%0.87478%0.776SS**  cis-164.91212.3-107.6163.2-173.8175.20109.8
701K44.6Very low41Very low205 Ų205147.9 Ų147.989%0.89176%0.758SS**  trans-151.6130.1159.8-79.2-173.2178.7178.80107.6
702I41.9Very low42.5Very low166 Ų166143.2 Ų143.285%0.85174%0.741SS**  trans-165.9148.2172.3-111.8146.9000109.9
703P49.7Very low44.1Very low91 Ų91147.7 Ų147.759%0.59174%0.735SS**  -146.3-140.5-112.845.1-24.4000115E705P703-E705 PolarHBondContact O-N 3.13Å
704L48.5Very low45.5Very low161 Ų161143.8 Ų143.884%0.84372%0.719SS**  trans-67.673.7178-67.677.5000113.5
705E52Low46.9Very low148 Ų148147.6 Ų147.669%0.69272%0.716SS**  trans-98.8-22.5175-105.1178.6167.800114.6P703 R707P703-E705 PolarHBondContact O-N 3.13Å; E705-R707 VanDerWaalsContact C-N 3.31Å; E705-R707 PolarHBondContact O-N 2.89Å
706K50.4Low48.2Very low188 Ų188148.6 Ų148.682%0.81771%0.708SS**THydrogen-bonded Turntrans-79.1-0.5-168.9-73.8-176.1176.7176.60116.2
707R48.9Very low49.7Very low212 Ų212150.2 Ų150.280%0.871%0.708SS**THydrogen-bonded Turntrans-98.3-46.2-177.7-164.2168.9-176.1150.20.3112.9E705E705-R707 VanDerWaalsContact C-N 3.31Å; E705-R707 PolarHBondContact O-N 2.89Å
708E54.5Low50.8Low152 Ų152147.3 Ų147.371%0.7171%0.706SS**Hα-helixtrans-72.8-38.4-176.8-61.6-171.912400112.6K710 L711 A712E708-K710 PolarHBondContact O-N 3.46Å; E708-K710 VanDerWaalsContact O-N 3.08Å; E708-L711 WeakPolarHBondContact O-CA 3.28Å; E708-L711 WeakPolarHBondContact O-CB 3.12Å; E708-L711 PolarHBondContact O-N 3.12Å; E708-A712 PolarHBondContact O-N 3.15Å
709L57.1Low51.6Low133 Ų133148.7 Ų148.770%0.69671%0.708SS**Hα-helixtrans-57.2-29178.9-16174.4000113.1R713L709-R713 WeakPolarHBondContact O-CB 3.35Å; L709-R713 PolarHBondContact O-N 3.14Å
710K59.6Low52.1Low164 Ų164154.2 Ų154.271%0.71372%0.715SS**Hα-helixtrans-74.7-36.2174.7-66.4-172.9177.2-172.70112.7E708 L714E708-K710 PolarHBondContact O-N 3.46Å; E708-K710 VanDerWaalsContact O-N 3.08Å; K710-L714 PolarHBondContact O-N 3.4Å
711L59.8Low52.1Low91 Ų91149.8 Ų149.848%0.47671%0.709SS.*Hα-helixtrans-72.8-34.8176.9-102.3157.6000112.3E708 R715E708-L711 WeakPolarHBondContact O-CA 3.28Å; E708-L711 WeakPolarHBondContact O-CB 3.12Å; E708-L711 PolarHBondContact O-N 3.12Å; L711-R715 PolarHBondContact O-N 3.27Å
712A59.3Low51.6Low54 Ų54147.9 Ų147.945%0.44671%0.708SS.*Hα-helixtrans-64.1-49.5170.900000111.6E708 L714 R715 Q716E708-A712 PolarHBondContact O-N 3.15Å; A712-L714 VanDerWaalsContact C-N 3.28Å; A712-L714 PolarHBondContact O-N 3.08Å; A712-R715 PolarHBondContact O-N 3.01Å; A712-Q716 PolarHBondContact O-N 3.12Å
713R60.6Low51Low201 Ų201145.1 Ų145.176%0.75870%0.703SS**Hα-helixtrans-64.4-29.1-176.7-160.2172.4-168.5165.83.6113.7L709 L717L709-R713 WeakPolarHBondContact O-CB 3.35Å; L709-R713 PolarHBondContact O-N 3.14Å; R713-L717 PolarHBondContact O-N 3.06Å
714L57.6Low50.2Low106 Ų106149.6 Ų149.656%0.55572%0.716SS**Hα-helixtrans-70.9-45174.1-175.162.5000112K710 A712 Q716 L717 M718K710-L714 PolarHBondContact O-N 3.4Å; A712-L714 VanDerWaalsContact C-N 3.28Å; A712-L714 PolarHBondContact O-N 3.08Å; L714-Q716 VanDerWaalsContact C-N 3.34Å; L714-Q716 PolarHBondContact O-N 2.99Å; L714-L717 PolarHBondContact O-N 3.2Å; L714-M718 PolarHBondContact O-N 3.15Å
715R57.2Low49.3Very low163 Ų163146.3 Ų146.362%0.61571%0.707SS**Hα-helixtrans-62.5-40.9176.9-71-177.8175.6115.9-4.8112.1L711 A712 L717 M718 Q719L711-R715 PolarHBondContact O-N 3.27Å; A712-R715 PolarHBondContact O-N 3.01Å; R715-L717 PolarHBondContact O-N 3.46Å; R715-M718 PolarHBondContact O-N 2.72Å; R715-Q719 PolarHBondContact O-N 3Å
716Q54.9Low48.2Very low137 Ų137145.6 Ų145.664%0.6471%0.708SS**Hα-helixtrans-66.7-22.3179.4-163.317323.200113.5A712 L714A712-Q716 PolarHBondContact O-N 3.12Å; L714-Q716 VanDerWaalsContact C-N 3.34Å; L714-Q716 PolarHBondContact O-N 2.99Å
717L60Low47.3Very low132 Ų132142.2 Ų142.269%0.69170%0.703SS**Hα-helixtrans-79.6-32.2175.5-170.963.9000112.4R713 L714 R715R713-L717 PolarHBondContact O-N 3.06Å; L714-L717 PolarHBondContact O-N 3.2Å; R715-L717 PolarHBondContact O-N 3.46Å
718M53.6Low46.2Very low157 Ų157138.5 Ų138.577%0.77370%0.699SS**Hα-helixtrans-80.6-11.8-178.8-65.1-175.871.100114.2L714 R715L714-M718 PolarHBondContact O-N 3.15Å; R715-M718 PolarHBondContact O-N 2.72Å
719Q47.6Very low45.1Very low169 Ų169135.7 Ų135.779%0.7970%0.696SS**THydrogen-bonded Turntrans-99.920.6-177.2-70.6-175.1-43.600114.1R715R715-Q719 PolarHBondContact O-N 3Å
720R40.7Very low43.5Very low208 Ų208136.7 Ų136.779%0.78570%0.702SS**SBendtrans-136.139.6-169.4-146.5177.9-169.284.44.5114.9
721S35.9Very low41.9Very low108 Ų108135.8 Ų135.876%0.75571%0.705SS**SBendtrans-149.736.4-179.5-53.60000114.2
722L33.1Very low40.3Very low165 Ų165134.9 Ų134.986%0.86471%0.706SS**  trans-143.1145.8164.7-69.5176.6000108.3
723S30.3Very low38.9Very low107 Ų107141.1 Ų141.175%0.74873%0.726SS**  trans54.9141.5178.851.80000118.7
724E32Very low37.7Very low186 Ų186138.2 Ų138.287%0.86973%0.725SS**  cis-159.8-168.6-22.3-123.8152.5162.900110.4
725S29.2Very low36.9Very low92 Ų92138.1 Ų138.164%0.64373%0.732SS**  trans-61.4158.6-178.253.60000114.1
726D29.1Very low35.6Very low133 Ų133138.8 Ų138.871%0.71174%0.739SS**  -173.7168.269.4-109.3-54.8000117
727T31.9Very low34.3Very low116 Ų116139.6 Ų139.671%0.71275%0.747SS**  trans48.3137.2153.555.50000126.3
728D26Very low32.6Very low135 Ų135139.5 Ų139.572%0.72275%0.752SS**  trans72.1108.9139.2-84.4-61.9000125.2
729S30.8Very low31.8Very low92 Ų92137.3 Ų137.364%0.64375%0.75SS**  58.6122.8113.3-60.20000122.7
730N24.5Very low30.8Very low154 Ų154134.8 Ų134.882%0.82475%0.746SS**  trans40.3125145.8-63.2-27000118.6
731N25.3Very low30.2Very low145 Ų145135 Ų13578%0.77575%0.747SS**  -165.4174.866.8-150.94.4000115.4
732S27.5Very low30Very low73 Ų73139 Ų13951%0.5175%0.75SS.*  trans-20.9155.5152.568.50000118.2
733E28.3Very low29.9Very low184 Ų184135.2 Ų135.286%0.8674%0.743SS**  cis-171.4167.4-5.6-114.9-174129.300109.6
734D35.9Very low29.6Very low140 Ų140137.6 Ų137.675%0.74975%0.747SS**  trans-51.4155.8151.8-93.3-71.8000111.9
735P41.3Very low29.4Very low105 Ų105139.8 Ų139.868%0.68275%0.748SS**  -156.916751.340.6-19.5000118
736K29.1Very low29.6Very low176 Ų176140.7 Ų140.777%0.76575%0.752SS**  trans176.1112133.5-95.2145.3-165158.40112.3
737N28.2Very low29.9Very low154 Ų154143.8 Ų143.882%0.82475%0.753SS**  162.4112113.2-82.8-36.2000111.7
738T24.7Very low30.2Very low130 Ų130144.5 Ų144.580%0.79876%0.76SS**  trans-86.8162143.655.70000108.4
739P36.4Very low30.5Very low111 Ų111143.7 Ų143.772%0.72175%0.752SS**  -138.4138.5109.741.7-30.5000111.3
740V26Very low31.1Very low117 Ų117144.3 Ų144.371%0.70975%0.754SS**  65.8127.1100.9170.50000113.3
741R29.5Very low31.3Very low212 Ų212144.3 Ų144.380%0.875%0.752SS**  cis-172.91804.1-115.2-176.4-157.3-171.15.5109.9
742K30.4Very low31.6Very low191 Ų191142.9 Ų142.983%0.8375%0.748SS**  trans77125.2166.1-65.8157.8-178.7-176.80113.6
743A30.7Very low31.6Very low86 Ų86147 Ų14771%0.71176%0.759SS**  78.9131.462.200000111.6
744D25.2Very low31.7Very low157 Ų157142.8 Ų142.884%0.8475%0.751SS**  cis-127.715530-93.8-39.9000118.5
745R28.2Very low31.6Very low232 Ų232141.9 Ų141.988%0.87575%0.75SS**  trans-92.2143.1146.1-82.7176167.7169.1-4.3106.6
746P32.9Very low31.2Very low112 Ų112145.1 Ų145.173%0.72776%0.756SS**  -143.314884.143-28.8000112.3
747R34.2Very low31.1Very low197 Ų197141.3 Ų141.374%0.74375%0.752SS**  49.5105.269.8-148.4173.3-158.9-163.64.7111.2
748P38.7Very low31.1Very low131 Ų131141.3 Ų141.385%0.85175%0.748SS**  -114.8142.481-8.127.7000115.1
749Q32.8Very low31Very low118 Ų118142 Ų14255%0.55175%0.747SS**  trans-81.2159.5150.1-107.3171.2-31.700107.6
750P44.2Very low30.5Very low105 Ų105142.1 Ų142.168%0.68275%0.751SS**  -148.5166.453.740.4-20.8000118.8
751I28.8Very low30.7Very low154 Ų154140.6 Ų140.679%0.7975%0.75SS**SBendtrans64.8114.5144.8-73.4164.6000116.1
752V31.6Very low30.6Very low115 Ų115139.4 Ų139.470%0.69775%0.754SS**  cis-148.5126.97.6-170.60000105.8
753E27.5Very low30.5Very low159 Ų159135 Ų13574%0.74375%0.748SS**  60.5147.475.2-80.1170.2-170.400115.2
754S29.4Very low30.4Very low97 Ų97137.5 Ų137.568%0.67875%0.748SS**  cis-177.7140.1-32.640.70000106.4
755V34.6Very low30.6Very low121 Ų121137.4 Ų137.473%0.73374%0.742SS**  cis94.7109.241.4170.40000113.8
756E31.6Very low30.9Very low172 Ų172132.6 Ų132.680%0.80473%0.733SS**  trans65145.4145.6-70.3171-175.100125.7
757S28.6Very low30.8Very low97 Ų97133.8 Ų133.868%0.67873%0.731SS**  trans90.4152.313775.70000123.4
758M27.6Very low30.7Very low153 Ų153131.2 Ų131.275%0.75473%0.73SS**  trans68.8137.8149.4-107.190.787.500124.1
759D22.4Very low30.2Very low144 Ų144133 Ų13377%0.7772%0.724SS**  trans54.2139.7134-64.4-10000125.3
760S26.8Very low29.9Very low114 Ų114135.5 Ų135.580%0.79773%0.734SS**  trans24.3127.3136.7-146.70000121.7
761A28.6Very low29.1Very low85 Ų85138.7 Ų138.770%0.70274%0.739SS**  trans79.9138.7139.300000121.5
762E27.7Very low29Very low188 Ų188137.1 Ų137.188%0.87974%0.737SS**  trans67.7121.2144.9-75.5-171.6-179.400123.9
763S28.2Very low28.8Very low99 Ų99139.4 Ų139.469%0.69274%0.744SS**  81.893.6128.8-143.90000121.5
764L28.8Very low29Very low137 Ų137136 Ų13672%0.71774%0.743SS**  62.1119.1125.5-57.9178.4000121.3
765H29.9Very low29Very low155 Ų155137.6 Ų137.672%0.71876%0.755SS**  101.2134.6118.5-90.229.2000122
766L35.1Very low28.6Very low132 Ų132135.3 Ų135.369%0.69176%0.756SS**  trans67.6147.9154.4-87.767000118.3
767M29.9Very low28.5Very low136 Ų136130.7 Ų130.767%0.6775%0.754SS**  cis-165.2161.1-26.6-134.9-158.3-65.300109.6
768I31.4Very low28.7Very low144 Ų144137.7 Ų137.774%0.73877%0.765SS**  trans69.7153.4152.8-74.3165.8000117.3
769K28.1Very low28.6Very low167 Ų167141.7 Ų141.773%0.72677%0.772SS**  cis-178.5151.4-32.2-161.3177.2-176.2167.90108.9
770K27.7Very low29.2Very low172 Ų172144 Ų14475%0.74878%0.776SS**  trans71.5164.1167.9-53.9-161.1176.9-177.80116.8
771H27.9Very low30Very low171 Ų171144 Ų14479%0.79277%0.773SS**  cis-173.7179.2-44.9-98.1-54.3000108.8
772T25.7Very low30Very low121 Ų121148.8 Ų148.874%0.74278%0.778SS**  trans84.1102.3163.9-44.80000114.4
773L27.8Very low29.9Very low163 Ų163144 Ų14485%0.85377%0.766SS**  70.4142.975.6-64.7169.2000114
774A32.3Very low29.9Very low88 Ų88145.6 Ų145.673%0.72777%0.765SS**  cis-173.9-177.6-13.500000111.5
775S28.5Very low29.7Very low131 Ų131147.5 Ų147.592%0.91677%0.768SS**  trans100129.6163.6-156.80000117.4
776G26.8Very low29.5Very low73 Ų73146.2 Ų146.275%0.75377%0.771SS**  cis170.8155.4-10.800000118.2
777G29.3Very low29.2Very low74 Ų74144.5 Ų144.576%0.76377%0.77SS**  trans90144.1158.600000116.8
778R32.4Very low29.1Very low244 Ų244147.8 Ų147.892%0.92178%0.78SS**  cis-155.1160.8-2.1-48.8178.2-170.3-159.42.6107.2
779R25.9Very low28.8Very low237 Ų237145.6 Ų145.689%0.89478%0.778SS**  cis-164.6149.7-24.6-106.3-166.1-172.5-175.64.7106.6
780F33.9Very low28.9Very low194 Ų194144.2 Ų144.285%0.85178%0.778SS**  trans-82.1177166.1-66.8-96000111.6
781P43.4Very low28.8Very low114 Ų114143.1 Ų143.174%0.7478%0.78SS**  -150.5134.591.936.7-17.5000118.5
782F29.2Very low28.8Very low184 Ų184137.9 Ų137.981%0.80777%0.772SS**  45.4127.5123.7-68.9-66.3000125
783S25.3Very low29.1Very low89 Ų89141.3 Ų141.362%0.62278%0.779SS**  88.4133.8113.3-72.50000126.1
784I28.4Very low29.3Very low131 Ų131138.8 Ų138.867%0.67278%0.775SS**  79.2110.2124.9-67.6171.6000121.7
785K25.7Very low30.4Very low178 Ų178140.6 Ų140.677%0.77478%0.779SS**  trans58.1163.1136-56175.4-163.6170.30122.3
786T24.4Very low30.7Very low128 Ų128139.4 Ų139.479%0.78577%0.771SS**  trans67.8157.1155.2480000118.2
787S29.4Very low32.2Very low95 Ų95141.4 Ų141.466%0.66477%0.771SS**  cis-179.4152.9-29.9-93.50000109.5
788K27.3Very low32.2Very low205 Ų205143.3 Ų143.389%0.89177%0.768SS**  trans67.7160.5160.8-72.6173.1-177.8-175.80115.3
789S26.1Very low32.3Very low98 Ų98136 Ų13669%0.68575%0.754SS**  cis-169.8170.6-17.4176.80000109.8
790L28.6Very low32.4Very low139 Ų139132.4 Ų132.473%0.72875%0.748SS**  trans86.8142.5160.3-115.269.4000119.6
791D26.4Very low32.1Very low148 Ų148127.7 Ų127.779%0.79174%0.739SS**  trans56.2147.4162.8-50.3-35.3000120.3
792G28.2Very low31.5Very low61 Ų61128 Ų12863%0.62974%0.744SS**  cis173153.2-8.300000113.9
793H31.4Very low31.5Very low194 Ų194128.1 Ų128.190%0.89875%0.746SS**  trans67.9117.6165.7-62.4-77.4000121.7
794S32.6Very low32.6Very low110 Ų110128.9 Ų128.977%0.76975%0.75SS**  trans-83.3-175.3152.6-45.50000110.6
795P54.7Low32.7Very low125 Ų125129.8 Ų129.881%0.81276%0.756SS**  -149.5168.68239.2-20.7000117.2
796S35.4Very low33Very low107 Ų107128.4 Ų128.475%0.74876%0.756SS**  trans-90.3-168.1163.5-49.80000110.9
797P57.3Low33.1Very low115 Ų115130.4 Ų130.475%0.74776%0.756SS**  -146-167.985.540.6-21.5000112.4
798T29.3Very low33.2Very low113 Ų113130 Ų13069%0.69375%0.753SS**  cis-156.2140.911.5-80000108
799S34.5Very low33.2Very low90 Ų90128.9 Ų128.963%0.62975%0.752SS**  68.6154.1108.8-750000118.1
800E27.9Very low33.5Very low163 Ų163134.7 Ų134.776%0.76276%0.76SS**  cis-159.6141.6-3.8-114.9159120.200108.4
801S28.1Very low34.4Very low95 Ų95134 Ų13466%0.66476%0.764SS**  100.1126.597.572.50000117.8
802S30.9Very low34.5Very low121 Ų121130 Ų13085%0.84676%0.758SS**  trans63138.1137.1-49.30000124.7
803E30.3Very low34.6Very low185 Ų185133.6 Ų133.686%0.86477%0.773SS**  trans-75.1-176.4151-66.1-166.313800110.7
804P48.8Very low34.4Very low106 Ų106127.4 Ų127.469%0.68876%0.761SS**  cis-149.1179.31347.5-27.8000120
805D29Very low34.2Very low149 Ų149128.2 Ų128.280%0.79777%0.767SS**  trans72.6164.9139.8-117.3-45.6000124.8
806L32.5Very low32.8Very low149 Ų149128.6 Ų128.678%0.7877%0.768SS**  trans75.2145.8175.7-58.9119000116.5
807E27.4Very low34.1Very low170 Ų170129 Ų12979%0.79477%0.767SS**  cis-144.7171.215.8-148.1176.1172.700114.9
808S29.8Very low33.8Very low86 Ų86128.4 Ų128.460%0.60176%0.764SS**  trans-39.9176.8176.777.70000120.7
809Q28.9Very low33.8Very low183 Ų183130 Ų13086%0.85577%0.768SS**  cis-162.2165.85.6-139.4160.933.600113
810Y32.3Very low33.7Very low219 Ų219133.1 Ų133.186%0.85977%0.773SS**  trans-93.7177.4162.4-88.1-81.8000110.7
811P46.6Very low34.8Very low125 Ų125130.9 Ų130.981%0.81277%0.772SS**  cis-127-165.98.144.4-27.8000113.8
812G29.3Very low35.1Very low64 Ų64131 Ų13166%0.6677%0.773SS**  cis132.9141.4-12.800000116.3
813S29.5Very low34.9Very low137 Ų137128.3 Ų128.396%0.95877%0.765SS**  trans81.4128.4170.4-162.60000120.8
814G27Very low35.1Very low63 Ų63126.9 Ų126.965%0.64976%0.763SS**  trans132.1122139.500000121.4
815S28.1Very low36Very low127 Ų127126.8 Ų126.889%0.88876%0.762SS**  trans78.9163.8146.571.30000122.3
816T25.8Very low37.5Very low134 Ų134124.7 Ų124.782%0.82276%0.756SS**  trans-134.7-154.5-169.247.10000112.3
817P63Low37.6Very low114 Ų114125.3 Ų125.374%0.7476%0.755SS**  -100.3-162.4-108.543.4-26.5000113.6
818P51.6Low39.2Very low104 Ų104121.6 Ų121.668%0.67575%0.746SS**  -158.2-178.37943.4-22.5000118.2
819N28.4Very low39.4Very low146 Ų146124.4 Ų124.478%0.78176%0.755SS**  trans66.9131.8153.2-68.9-0.5000120.1
820Q32.3Very low41Very low156 Ų156120.7 Ų120.773%0.72975%0.746SS**  cis66.4174.64.4-109.6-146.46.200117.3
821P51Low41Very low115 Ų115117.2 Ų117.275%0.74774%0.743SS**  cis-76.5-168.9-238.9-40.2000111.8
822S34.4Very low40.6Very low98 Ų98116.2 Ų116.269%0.68574%0.738SS**  cis-140.8-169.83.664.80000108.7
823G26.5Very low40.7Very low65 Ų65119 Ų11967%0.6774%0.743SS**  cis165.6166.7-3.500000110
824D35.8Very low41.1Very low155 Ų155117.6 Ų117.683%0.82974%0.739SS**  cis-149.2-114-9.6-147.6-45.2000111.2
825P67.1Low41.4Very low104 Ų104118.4 Ų118.468%0.67574%0.74SS**  trans-103.1-164-17848.2-40.9000111.8
826P61Low41.8Very low104 Ų104119.6 Ų119.668%0.67573%0.732SS**  cis-142.2135.61.337.3-15.2000119.3
827Q34.7Very low42.1Very low162 Ų162120.9 Ų120.976%0.75773%0.726SS**  67156.4126.3-60.4-66.9-84.500122.6
828P60.6Low40.8Very low92 Ų92121.8 Ų121.860%0.59773%0.729SS**  cis-146.1153.8-32.938.3-20.1000118.4
829N33.4Very low39.7Very low146 Ų146120.4 Ų120.478%0.78173%0.726SS**  trans54.7169.1139.5-63.90.1000123.4
830P63.7Low40Very low105 Ų105120.5 Ų120.568%0.68273%0.732SS**  cis-139.9-175.2-49.542.6-25.5000116.5
831D31.1Very low39.8Very low146 Ų146118.3 Ų118.378%0.78173%0.734SS**  trans82.3131.6152.4-73-24000126
832S37.8Very low40.4Very low103 Ų103117.7 Ų117.772%0.7273%0.73SS**  trans72.6160.4147.9-59.90000122.4
833T33.2Very low40.3Very low124 Ų124122.3 Ų122.376%0.76174%0.738SS**  cis-166.5139-43.1410000111.9
834A36.1Very low40.9Very low106 Ų106124.2 Ų124.288%0.87674%0.741SS**  trans61.7150.7164.900000117.5
835A33.4Very low40.8Very low81 Ų81121 Ų12167%0.66974%0.736SS**  cis-168.2179.84.300000106.9
836Q36.7Very low39.2Very low152 Ų152123.1 Ų123.171%0.7174%0.741SS**  cis-171.8167.6-13.2-98.4173.388.900104.5
837K33.2Very low38.1Very low160 Ų160127.7 Ų127.770%0.69675%0.75SS**  cis-159.4142.91.1-112.7168172.5146.40106.2
838V34.2Very low38.2Very low134 Ų134125 Ų12581%0.81275%0.749SS**  58.2129.885.8179.20000115.3
839A29.4Very low37.8Very low75 Ų75126.3 Ų126.362%0.6276%0.758SS**  cis-175.7-171.4-1500000111.8
840T34.7Very low37.8Very low147 Ų147124.9 Ų124.990%0.90276%0.759SS**  trans84.8149.9152.352.10000121.7
841S28.8Very low36.6Very low110 Ų110123.6 Ų123.677%0.76975%0.752SS**  trans-126.2-150.5-170.9-170.10000110.3
842P63.8Low37Very low103 Ų103125.6 Ų125.667%0.66975%0.754SS**  -115.8174.5-10740.6-27000115.1
843K31.5Very low36.9Very low194 Ų194131.3 Ų131.384%0.84376%0.76SS**  trans170123.9150-92.7147.1-169.4174.30109
844S38.6Very low37.2Very low106 Ų106136 Ų13674%0.74176%0.764SS**  85.7131.257.279.90000114.8
845A34.4Very low37.2Very low86 Ų86136.5 Ų136.571%0.71176%0.756SS**  trans137.2121139.500000118.1
846L33.8Very low37.3Very low150 Ų150138 Ų13879%0.78576%0.762SS**  66106127.2-60.7173.9000123.9
847K36.3Very low37.4Very low199 Ų199139.4 Ų139.487%0.86577%0.768SS**  83.5153.6115.9-125.4157.3-176.5169.70121.3
848S37.2Very low37.3Very low107 Ų107138.1 Ų138.175%0.74877%0.769SS**  trans-87.4-175.2-170.6-24.10000113.2
849P51.9Low37.2Very low118 Ų118138.9 Ų138.977%0.76677%0.768SS**  cis-161.5170.444.246.9-24.2000122.6
850S33.7Very low37.5Very low116 Ų116144.6 Ų144.681%0.81178%0.779SS**  trans75.1137.1138.4-149.50000125.5
851S39Very low37.4Very low78 Ų78145.6 Ų145.655%0.54578%0.778SS.*  126.2111.9117.9179.40000122.1
852K38.8Very low37.7Very low189 Ų189151.5 Ų151.582%0.82278%0.783SS**  trans72.5158.4144.5-68.1168.3-159156.60119.9
853R36.7Very low36Very low223 Ų223153.4 Ų153.484%0.84279%0.793SS**  cis-179.5160-19.5-174.7-169.9-130.1-1553.2111.4
854R39.5Very low35.8Very low221 Ų221149.4 Ų149.483%0.83479%0.785SS**  trans94161.7162.3-72.3-168.1125.4153.5-2.4119
855T35Very low35.4Very low117 Ų117154 Ų15472%0.71879%0.792SS**  175.4121.2-57.541.10000114.1
856S35.7Very low35.1Very low114 Ų114159.4 Ų159.480%0.79780%0.802SS**  trans176.3137.3154.645.90000109.8
857Q38.7Very low34.8Very low180 Ų180160.7 Ų160.784%0.84180%0.804SS**  69.1136.158.7-77.2-1660.700114.8
858N32.2Very low35Very low133 Ų133155.7 Ų155.771%0.71179%0.792SS**  cis-168.6-177.6-12.4-151-25.4000110.8
859L32.4Very low34.3Very low151 Ų151156.8 Ų156.879%0.79179%0.794SS**  trans75.2138.9173.2-53.2167.3000116.5
860K35.6Very low32.9Very low194 Ų194156.2 Ų156.284%0.84379%0.788SS**  cis98.7106.55.8-165.7-171.3-179.2-175.10117.4
861L32.7Very low32.4Very low168 Ų168158.7 Ų158.788%0.8879%0.787SS**  trans-160.9170.1149.6-112.2174.2000112
862R33.4Very low31.7Very low234 Ų234161.1 Ų161.188%0.88379%0.791SS**  trans-138.5145171.8-69.2178.2179.2152.8-6.1109
863V28.7Very low30.9Very low144 Ų144159.6 Ų159.687%0.87379%0.787SS**  trans-139.4165.6157.2-175.70000107.7
864T28.3Very low30.3Very low110 Ų110157.4 Ų157.468%0.67579%0.787SS**  trans-118.8149.8-157.342.20000115.4
865F29.7Very low29.9Very low202 Ų202151.7 Ų151.789%0.88678%0.778SS**  trans37.4121150-65.1-66.8000120.9
866E27.7Very low29.4Very low199 Ų199150.9 Ų150.993%0.9378%0.777SS**  trans-145.5155.7133.5-153.2157-16400109.3
867E26.7Very low28.9Very low177 Ų177152.5 Ų152.583%0.82778%0.776SS**  trans-122176.7178.7-120.9-162.9118.800107.5
868P41Very low28.1Very low94 Ų94151.7 Ų151.761%0.6177%0.772SS**  cis-133.1-153.2-530.9-6.2000111.9
869V22.4Very low27.8Very low130 Ų130151.8 Ų151.879%0.78877%0.772SS**  trans72.4141.1156.2165.60000117.4
870V23Very low27.3Very low107 Ų107152 Ų15265%0.64877%0.774SS**  cis-165.6154-35.496.30000107.2
871Q23.5Very low26.9Very low168 Ų168146.7 Ų146.779%0.78577%0.774SS**  trans62.6165.3169.5-80.7173.1-70.900116
872M23.6Very low26.5Very low129 Ų129146 Ų14664%0.63577%0.767SS**  cis-163.2146.1-19.1165.1161.3164.700109.2
873E22.8Very low26.3Very low156 Ų156142 Ų14273%0.72976%0.755SS**  trans61.5135.9172.8-71.5171137.200116.3
874Q24.7Very low26.2Very low178 Ų178140 Ų14083%0.83274%0.74SS**  61.9147.862.7-73.2-15143.500114.4
875P30Very low26.4Very low101 Ų101142.5 Ų142.566%0.65674%0.742SS**  cis-131.5-165.7138-18.8000114.5
876S23.7Very low26.3Very low99 Ų99137.9 Ų137.969%0.69273%0.726SS**  trans81.8127.5164.4-44.40000116.3
877L25.2Very low26.4Very low148 Ų148136.9 Ų136.978%0.77572%0.719SS**  67.3123.454.2-62.4173.7000112.2
878E22.9Very low26.5Very low163 Ų163131.9 Ų131.976%0.76272%0.715SS**  cis-165.6-167.9-0.1-150.8177-146.800111.2
879L26.4Very low26.1Very low136 Ų136138.8 Ų138.871%0.71273%0.729SS**  trans82.793.8161.4-67.1167.6000120.1
880N22.4Very low26.3Very low154 Ų154138.3 Ų138.382%0.82473%0.726SS**  48111.4117.2-63.5-10.2000120.4
881G26.7Very low26.4Very low83 Ų83139.7 Ų139.786%0.85673%0.73SS**  trans-127.2106.1156.500000110.1
882E24.7Very low26.4Very low155 Ų155138.3 Ų138.372%0.72472%0.723SS**  trans-81.1170.6-164.7-142.1-150.5134.700115.3
883K28.4Very low26.4Very low148 Ų148141.7 Ų141.764%0.64373%0.729SS**  trans73.7113.7162.9-72.1167.3169.863.10117.3
884D26.8Very low26.3Very low104 Ų104140 Ų14056%0.55673%0.729SS**  81.6104.364.4171.547000114
885K31.8Very low26.2Very low162 Ų162136.1 Ų136.170%0.70472%0.721SS**  -174.6114.4123.4-101154.7-170.181.30117.4
886D28Very low25.8Very low104 Ų104137.7 Ų137.756%0.55673%0.73SS**  66.9127.6117.1-93.3-17.8000125.7
887K30.5Very low25.8Very low178 Ų178138.5 Ų138.577%0.77474%0.735SS**  trans67.6107.4130.6-68.1167.9176.985.20120.4
888G28.9Very low25.7Very low73 Ų73138.9 Ų138.975%0.75374%0.738SS**  trans-119.3-12.6175.800000119.4
889R31.2Very low25.7Very low238 Ų238140.7 Ų140.790%0.89875%0.746SS**  trans70.1151.2-174.5-50.5179.3176.1-159.8-4.5113.5
890T27.4Very low25.7Very low120 Ų120139.9 Ų139.974%0.73675%0.752SS**  -162.512653.4-58.70000108.3
891L25.7Very low25.9Very low137 Ų137136.5 Ų136.572%0.71775%0.753SS**  39.3136105.9-67.2164.2000115.7
892Q22.9Very low25.9Very low139 Ų139139.6 Ų139.665%0.6575%0.75SS**  cis-169.8159.6-10.3-146.7-171.739.600110.7
893R23.4Very low26Very low200 Ų200139.1 Ų139.176%0.75575%0.748SS**  trans70115.3146.3-91.1179.4-170.6-168.41.1123.5
894T21.1Very low25.9Very low121 Ų121138.7 Ų138.774%0.74275%0.752SS**  78.8141123.653.20000125.7
895S21.4Very low26Very low95 Ų95142.6 Ų142.666%0.66476%0.764SS**  trans8098.1133.7600000122.8
896T21.6Very low26.1Very low135 Ų135146.4 Ų146.483%0.82877%0.774SS**  39.3116.2117.259.60000121.9
897S23.9Very low26.9Very low115 Ų115146.6 Ų146.680%0.80478%0.781SS**  -168.1140.3128.549.10000107.6
898N23.1Very low26.6Very low156 Ų156148.4 Ų148.483%0.83479%0.789SS**  55.29856.1-87.121.1000114.5
899E24.3Very low26.7Very low201 Ų201147.9 Ų147.994%0.93978%0.784SS**  -162.2155.4115.3-113.9-177158.300112.6
900S25.6Very low26.6Very low120 Ų120141.2 Ų141.284%0.83978%0.78SS**  trans-110.213717244.90000109.2
901G26.2Very low26.7Very low82 Ų82144.9 Ų144.985%0.84579%0.786SS**  trans-159.197.5-170.200000113.5
902D26.7Very low26.9Very low148 Ų148148.9 Ų148.979%0.79179%0.791SS**  trans-76.1168.7-179.6-174.219.1000113.3
903Q26.5Very low27.3Very low146 Ų146147 Ų14768%0.68279%0.794SS**  trans101104.5156.2-57-16828.200122.5
904L27.3Very low28Very low139 Ų139143.5 Ų143.573%0.72879%0.789SS**  70.9153.4116.4-71.2168.5000123.8
905K27.8Very low28.3Very low186 Ų186145.1 Ų145.181%0.80979%0.79SS**  trans78107.3159.5-72.4161-176.7169.70119.6
906R35Very low28.9Very low242 Ų242148.4 Ų148.491%0.91380%0.795SS**  trans-69158140.2-60.2-176.2-174.9101.60.8110.1
907P43.7Very low29.3Very low107 Ų107147.5 Ų147.570%0.69579%0.789SS**  -136148124.113.77.7000114
908F25.3Very low29.7Very low216 Ų216149.5 Ų149.595%0.94779%0.79SS**  trans39.2151.8149.2-66.5-100.6000121.9
909G30.2Very low29.9Very low63 Ų63147.6 Ų147.665%0.64979%0.789SS**  cis162.6170.6-3.300000113
910A30.6Very low30.1Very low98 Ų98140.9 Ų140.981%0.8177%0.774SS**  trans68.6164.6175.100000119
911F27.9Very low30.2Very low197 Ų197142.8 Ų142.886%0.86478%0.775SS**  167.4121.6-51.1-117.2-70.6000109.5
912R30.5Very low30.5Very low220 Ų220147.1 Ų147.183%0.8377%0.773SS**  trans179.2124.2151.8-102.1171.2-174.4-82.70.7106.4
913S31.5Very low30.5Very low101 Ų101145.7 Ų145.771%0.70677%0.765SS**  cis83.4153.526.9-158.70000114.9
914I38.9Very low30.6Very low126 Ų126145.4 Ų145.465%0.64677%0.768SS**  trans90.8125.1-158.5-60.4163.5000110.8
915M26.2Very low30.7Very low154 Ų154145 Ų14576%0.75977%0.767SS**  cis-154.8158.8-10.8-96.8-171.9-50.700107.1
916E35Very low31Very low164 Ų164142 Ų14277%0.76676%0.76SS**  cis87.9125.722.2-162.9169.4-156.700113.3
917T29.6Very low30.8Very low117 Ų117135.4 Ų135.472%0.71874%0.743SS**  cis-165.9-175.5-5.3-108.20000110
918L32.3Very low30.2Very low156 Ų156141.4 Ų141.482%0.81775%0.753SS**  trans100.1134.7172.9-53172.8000115.3
919S26.8Very low30.6Very low116 Ų116138.6 Ų138.681%0.81174%0.743SS**  cis83.713125.2-163.60000115
920G28.8Very low30.7Very low61 Ų61140 Ų14063%0.62975%0.749SS**  cis171.3-168.30.100000113.1
921N27.4Very low30.8Very low159 Ų159139 Ų13985%0.8574%0.741SS**  trans64.3122.4173.7-61.4-22000117.6
922Q32.4Very low30.8Very low173 Ų173136.2 Ų136.281%0.80874%0.735SS**  175.2167.786.9-93-155.283.400110.1
923N26.5Very low30.9Very low118 Ų118132.4 Ų132.463%0.63173%0.726SS**  cis-171.4-164.8-16.8-169-6.4000108.1
924N29.5Very low30.8Very low140 Ų140133.7 Ų133.775%0.74972%0.724SS**  trans-55.8170.6178.1-57.2-36.3000114.8
925N29.3Very low30.4Very low130 Ų130136 Ų13670%0.69573%0.729SS**  cis-172.9166.535.5-159.76.3000114.4
926N33.2Very low30.7Very low124 Ų124135.2 Ų135.266%0.66373%0.734SS**  trans59.9137.4160.3-77.5-29.9000119.3
927N31.6Very low30.5Very low104 Ų104132 Ų13256%0.55673%0.729SS**  cis108.7122.222.9175.427.8000112
928Y31Very low30.5Very low233 Ų233132 Ų13291%0.91473%0.729SS**  trans-131.1127.8153.1-126.2-87.1000110.6
929Q33.1Very low30.5Very low157 Ų157132.1 Ų132.173%0.73473%0.73SS**  trans-82.2164.2178.5-78.4175.5-24.300111
930A32.4Very low31.9Very low93 Ų93131.3 Ų131.377%0.76972%0.722SS**  cis-168.6-159.4-1800000105.6
931A32.2Very low32.1Very low77 Ų77135.4 Ų135.464%0.63673%0.729SS**  cis-159.7-171.38.800000110.1
932N28.5Very low32.4Very low138 Ų138133.5 Ų133.574%0.73872%0.723SS**  trans77.2147.3180-56.1-66.2000114.4
933Q31.8Very low32.6Very low140 Ų140129.6 Ų129.665%0.65472%0.715SS**  cis-151.6175.2-11.8-125-22.4-60.600111.1
934L29.8Very low32.8Very low128 Ų128131.9 Ų131.967%0.6773%0.726SS**  trans50.468.9149.5-67.2170.6000118.7
935K30.5Very low32.9Very low173 Ų173128.3 Ų128.375%0.75272%0.722SS**  63.8118.4119.9-66.2176.4179.6179.70121.7
936T32.1Very low33.4Very low138 Ų138133.8 Ų133.885%0.84773%0.733SS**  trans68.1142.1132.756.70000120.9
937S31.1Very low33.5Very low96 Ų96136.5 Ų136.567%0.67174%0.739SS**  cis-169.9159.4-5.2175.30000113.4
938T29.8Very low33.6Very low117 Ų117137 Ų13772%0.71875%0.746SS**  trans63.8114154.728.40000120.7
939L32.6Very low33.7Very low159 Ų159131.2 Ų131.283%0.83274%0.735SS**  64.2156.164.4-67.5-177.2000116.1
940P56.1Low33.7Very low99 Ų99131 Ų13164%0.64374%0.739SS**  cis-154.4-168.6-32.442.9-22.5000118.5
941L34Very low33.8Very low147 Ų147130.5 Ų130.577%0.7774%0.735SS**  trans99.7135.8142.4-75.7168.5000126.8
942T33.2Very low33.8Very low120 Ų120137.3 Ų137.374%0.73675%0.75SS**  trans70.6160.914349.60000124
943S36.4Very low33.7Very low91 Ų91134.3 Ų134.364%0.63675%0.752SS**  cis179.9164.7-35.664.10000114
944L30.9Very low33.6Very low166 Ų166135.2 Ų135.287%0.86976%0.761SS**  trans66.8163.2167.8-84.668.6000118.3
945G32Very low35.1Very low64 Ų64134.4 Ų134.466%0.6676%0.764SS**  cis151.9142.7-1700000117.3
946R39.7Very low35Very low245 Ų245130.7 Ų130.793%0.92577%0.765SS**  trans79167.2166.7-56.4177.7178.3-167.90.6118.9
947K35.8Very low34.9Very low181 Ų181129 Ų12979%0.78776%0.759SS**  cis-177.6171-39.7-160.3178.1-177-1760110.1
948T32.7Very low34.8Very low116 Ų116128.7 Ų128.771%0.71276%0.757SS**  trans74.9153.8159.563.10000120
949T32.5Very low34.7Very low111 Ų111129.2 Ų129.268%0.68176%0.76SS**  cis-170.2152.7-19.229.30000111.7
950D33.1Very low34.6Very low152 Ų152127.4 Ų127.481%0.81375%0.751SS**  trans37.1156.9139.6-63.1-66000124.5
951A36.2Very low33.3Very low83 Ų83131.9 Ų131.969%0.68676%0.761SS**  cis-176.7179.8-1700000112.5
952K30.3Very low33.1Very low219 Ų219128.3 Ų128.395%0.95276%0.759SS**  trans77134.9160.2-69.5179.4174.8175.10121.6
953G28Very low32.9Very low75 Ų75131.9 Ų131.977%0.77377%0.765SS**  trans168.2127.8160.900000113.2
954N29.3Very low32.6Very low160 Ų160134.2 Ų134.286%0.85677%0.77SS**  trans-174166.9-175-135.415.5000110
955P60.3Low32.4Very low111 Ų111136.2 Ų136.272%0.72177%0.772SS**  cis-130.6-150.6-38.138.3-18.5000112.2
956A29.1Very low32.1Very low94 Ų94138.1 Ų138.178%0.77778%0.781SS**  trans82148.416200000119
957S30.3Very low31.6Very low104 Ų104135.4 Ų135.473%0.72778%0.779SS**  cis-165.2161.6-11.852.40000115.7
958S29.3Very low31.1Very low88 Ų88135.7 Ų135.762%0.61579%0.785SS**  trans69.8109.7135.761.90000125.9
959T27.9Very low30.7Very low128 Ų128140.7 Ų140.779%0.78579%0.792SS**  trans69.1166.4133.973.30000119.6
960N30Very low30.4Very low121 Ų121140.1 Ų140.165%0.64779%0.793SS**  cis-164.3154.210.1-141.1-27.7000113.8
961K28.8Very low30Very low194 Ų194137.8 Ų137.884%0.84379%0.788SS**  trans61154161.3-61.4159.3-177172.60118.9
962G28.8Very low29.5Very low72 Ų72138.8 Ų138.874%0.74279%0.789SS**  cis156.7157.6-14.600000115.7
963K30.3Very low29.5Very low195 Ų195135.6 Ų135.685%0.84878%0.781SS**  trans89.7120162.3-65-174.1176.1-177.70123
964N28.8Very low29.4Very low140 Ų140139 Ų13975%0.74978%0.782SS**  85.6115.7128.4-65.45.9000124.6
965K27.9Very low29.4Very low208 Ų208139.3 Ų139.390%0.90478%0.782SS**  trans41.1120136.1-70.3-167.6172.7-166.90121.6
966A26.3Very low27.9Very low103 Ų103139.5 Ų139.585%0.85179%0.786SS**  -165.4153.4110.900000110.6
967E27.6Very low28.1Very low189 Ų189140.4 Ų140.488%0.88379%0.787SS**  trans-108.2144.3171.5-66168.9124.500109.8
968M25.3Very low28.1Very low186 Ų186142.1 Ų142.192%0.91679%0.788SS**  trans-157.4162.7156.7-111.3-56.8130.300111.3
969Y25.1Very low28.1Very low222 Ų222144.4 Ų144.487%0.87180%0.798SS**  trans-97.9163.1-162.3-117.2-106.1000115
970S25.8Very low28.7Very low98 Ų98145.5 Ų145.569%0.68580%0.799SS**  trans88.9143.7148.2-154.40000120.5
971S24.5Very low29.1Very low103 Ų103145.8 Ų145.872%0.7280%0.799SS**  trans78.3144.6153.3-56.70000119.1
972C26.9Very low29.2Very low105 Ų105143 Ų14371%0.70979%0.789SS**  cis178155.4-34.8-116.30000108.3
973I29.4Very low29.5Very low151 Ų151146.2 Ų146.277%0.77479%0.785SS**  trans69.1146.9156.7-65.7161.8000112.8
974N26.2Very low30Very low148 Ų148144.3 Ų144.379%0.79178%0.778SS**  cis-139.7160.216.6-142.2-15.9000112.3
975L29.3Very low30.3Very low165 Ų165144 Ų14486%0.86478%0.776SS**  trans-135.1137.8165.3-111.9168.6000108.2
976S28.9Very low30.5Very low115 Ų115140.8 Ų140.880%0.80476%0.758SS**  trans-117.8115.7-172.3-173.40000111.8
977S32Very low31.1Very low113 Ų113140.7 Ų140.779%0.7974%0.743SS**  trans-149.6106.1172.8-64.50000109.2
978N30.6Very low31.6Very low140 Ų140140.1 Ų140.175%0.74973%0.734SS**  trans-162.880.3174.8-130.8-15.5000114.5
979T30.5Very low32Very low137 Ų137134 Ų13484%0.8471%0.714SS**  trans-154.177.916749.60000111
980L39.9Very low32.5Very low150 Ų150132.2 Ų132.279%0.78571%0.705SS**SBendtrans-155.1-0.7171-115.5171.3000115.7
981I37.8Very low33.1Very low127 Ų127133.8 Ų133.865%0.65170%0.702SS**SBendtrans-97.5-17.2-173.6-63.7173.6000112.5E983I981-E983 VanDerWaalsContact C-N 3.33Å; I981-E983 PolarHBondContact O-N 3.41Å
982E31.8Very low33.6Very low136 Ų136134 Ų13464%0.63669%0.694SS**THydrogen-bonded Turntrans-84.44.4-169.5-140.8-164.9120.300115.1R986E982-R986 PolarHBondContact O-NE 3.48Å; E982-R986 PolarHBondContact O-NH2 3.01Å; E982-R986 IonicContact OE1-CZ 3.67Å; E982-R986 VanDerWaalsContact OE1-CZ 3.24Å; E982-R986 IonicContact OE1-NH1 3.71Å; E982-R986 PolarHBondContact OE1-NH1 2.89Å; E982-R986 IonicContact OE1-NH2 2.7Å; E982-R986 PolarHBondContact OE1-NH2 2.85Å
983E35.7Very low34Very low140 Ų140133.7 Ų133.765%0.65469%0.686SS**THydrogen-bonded Turntrans-105.5-44.4-175.1-162.1152.8-13700112.8I981 L985 R986I981-E983 VanDerWaalsContact C-N 3.33Å; I981-E983 PolarHBondContact O-N 3.41Å; E983-L985 VanDerWaalsContact C-N 3.28Å; E983-L985 PolarHBondContact O-N 2.92Å; E983-R986 PolarHBondContact O-N 3.13Å
984H38.9Very low34.6Very low154 Ų154131.4 Ų131.471%0.71367%0.674SS**Hα-helixtrans-56.2-38.7176.9-102.8-85.8000113.5R986H984-R986 VanDerWaalsContact C-N 3.34Å; H984-R986 PolarHBondContact O-N 3.36Å
985L35Very low35.1Very low133 Ų133129.5 Ų129.570%0.69666%0.664SS**Hα-helixtrans-69.6-27.3178.9-80.5161.8000113.4E983E983-L985 VanDerWaalsContact C-N 3.28Å; E983-L985 PolarHBondContact O-N 2.92Å
986R33.1Very low35.5Very low142 Ų142131 Ų13154%0.53666%0.658SS.*Hα-helixtrans-76-29-178-109.8-177.8-68.8-115.6-1.7113.2E982 E983 H984E982-R986 PolarHBondContact O-NE 3.48Å; E982-R986 PolarHBondContact O-NH2 3.01Å; E982-R986 IonicContact OE1-CZ 3.67Å; E982-R986 VanDerWaalsContact OE1-CZ 3.24Å; E982-R986 IonicContact OE1-NH1 3.71Å; E982-R986 PolarHBondContact OE1-NH1 2.89Å; E982-R986 IonicContact OE1-NH2 2.7Å; E982-R986 PolarHBondContact OE1-NH2 2.85Å; E983-R986 PolarHBondContact O-N 3.13Å; H984-R986 VanDerWaalsContact C-N 3.34Å; H984-R986 PolarHBondContact O-N 3.36Å
987N38.5Very low35.8Very low101 Ų101133.6 Ų133.654%0.5466%0.655SS.*Hα-helixtrans-81-37.4179.6-73.1-24000112.9A989 R990 H991N987-A989 VanDerWaalsContact C-N 3.28Å; N987-A989 PolarHBondContact O-N 3.42Å; N987-R990 PolarHBondContact O-N 3.41Å; N987-H991 PolarHBondContact O-N 3.18Å
988Y38.1Very low36Very low176 Ų176135.1 Ų135.169%0.6965%0.651SS**Hα-helixtrans-63.4-30.8175.9-110.2-80000113.6N992Y988-N992 PolarHBondContact O-ND2 2.86Å
989A34.6Very low36.2Very low59 Ų59137.8 Ų137.849%0.48866%0.656SS.*Hα-helixtrans-63.7-48.3175.500000112.1N987 H991 N992N987-A989 VanDerWaalsContact C-N 3.28Å; N987-A989 PolarHBondContact O-N 3.42Å; A989-H991 VanDerWaalsContact C-N 3.33Å; A989-H991 PolarHBondContact O-N 3.06Å; A989-N992 PolarHBondContact O-N 3.1Å
990R34.4Very low36.3Very low184 Ų184140.6 Ų140.669%0.69466%0.657SS**Hα-helixtrans-63.3-35-176.8-67.7-172.6-176.5178.94.3113.5N987 N992 D993N987-R990 PolarHBondContact O-N 3.41Å; R990-N992 VanDerWaalsContact C-N 3.3Å; R990-N992 PolarHBondContact O-N 2.75Å; R990-D993 PolarHBondContact O-N 3.44Å
991H39.9Very low36Very low131 Ų131137.6 Ų137.661%0.60665%0.649SS**Hα-helixtrans-65.9-31.8-178.1-114.976.4000113.2N987 A989N987-H991 PolarHBondContact O-N 3.18Å; A989-H991 VanDerWaalsContact C-N 3.33Å; A989-H991 PolarHBondContact O-N 3.06Å
992N35Very low35.7Very low106 Ų106142.7 Ų142.757%0.56766%0.661SS**Hα-helixtrans-73.7-34.7-179-80.3-80.6000113.2Y988 A989 R990 I994 R996Y988-N992 PolarHBondContact O-ND2 2.86Å; A989-N992 PolarHBondContact O-N 3.1Å; R990-N992 VanDerWaalsContact C-N 3.3Å; R990-N992 PolarHBondContact O-N 2.75Å; N992-I994 VanDerWaalsContact C-N 3.34Å; N992-I994 PolarHBondContact O-N 2.71Å; N992-R996 WeakPolarHBondContact O-CB 3.37Å; N992-R996 PolarHBondContact O-N 3.4Å
993D33.8Very low35.5Very low100 Ų100141.7 Ų141.754%0.53567%0.669SS.*Hα-helixtrans-71.1-26.4179.8-84-36000113.7R990 K997R990-D993 PolarHBondContact O-N 3.44Å; D993-K997 PolarHBondContact O-N 2.78Å
994I43Very low35.3Very low102 Ų102142 Ų14252%0.52367%0.673SS.*Hα-helixtrans-70.8-49.8175-61.8174.5000109.9N992 R996 K997 M998N992-I994 VanDerWaalsContact C-N 3.34Å; N992-I994 PolarHBondContact O-N 2.71Å; I994-R996 VanDerWaalsContact C-N 3.27Å; I994-R996 PolarHBondContact O-N 3.05Å; I994-K997 PolarHBondContact O-N 2.83Å; I994-M998 PolarHBondContact O-N 2.85Å
995N36.8Very low34.9Very low109 Ų109142.9 Ų142.958%0.58368%0.676SS**Hα-helixtrans-62.4-32.6176.6-89.2-47.4000112.9K997N995-K997 VanDerWaalsContact C-N 3.28Å; N995-K997 PolarHBondContact O-N 2.99Å
996R37.3Very low34.5Very low196 Ų196146 Ų14674%0.7469%0.686SS**Hα-helixtrans-67.3-24.5173.1-175.5172.4-82.1-173.7-5.1113.3N992 I994N992-R996 WeakPolarHBondContact O-CB 3.37Å; N992-R996 PolarHBondContact O-N 3.4Å; I994-R996 VanDerWaalsContact C-N 3.27Å; I994-R996 PolarHBondContact O-N 3.05Å
997K35.8Very low34.4Very low170 Ų170146.4 Ų146.474%0.73970%0.697SS**Hα-helixtrans-82.1-34.5178.2-83.4-178175.9177.50114.3D993 I994 N995 K999D993-K997 PolarHBondContact O-N 2.78Å; I994-K997 PolarHBondContact O-N 2.83Å; N995-K997 VanDerWaalsContact C-N 3.28Å; N995-K997 PolarHBondContact O-N 2.99Å; K997-K999 VanDerWaalsContact C-N 3.33Å; K997-K999 PolarHBondContact O-N 2.87Å
998M36.1Very low34Very low145 Ų145145.7 Ų145.771%0.71471%0.706SS**Hα-helixtrans-71.1-27.7179.2-67.5-165.2179.900113.1I994 K1000I994-M998 PolarHBondContact O-N 2.85Å; M998-K1000 PolarHBondContact O-N 2.62Å
999K34.2Very low33.6Very low195 Ų195146.1 Ų146.185%0.84871%0.714SS**THydrogen-bonded Turntrans-76.219.8-174.2-134.1168.3-171.7171.70115.6K997K997-K999 VanDerWaalsContact C-N 3.33Å; K997-K999 PolarHBondContact O-N 2.87Å
1000K33.8Very low34Very low196 Ų196148.8 Ų148.885%0.85273%0.726SS**THydrogen-bonded Turntrans-124.84179.3-101.2-171.4174.8-173.40115.3M998M998-K1000 PolarHBondContact O-N 2.62Å
1001S33.2Very low33.9Very low88 Ų88148.6 Ų148.662%0.61573%0.733SS**SBendtrans-116.217.4-164.9-53.40000116.1
1002Y31.3Very low33.4Very low234 Ų234148.2 Ų148.292%0.91875%0.745SS**  trans-136.395.4172.5-83-75.5000112.4
1003S27.2Very low33.3Very low114 Ų114151.3 Ų151.380%0.79775%0.754SS**  trans-163.6122.5157.2-175.60000109.6
1004I30.6Very low33Very low146 Ų146153.9 Ų153.975%0.74976%0.762SS**  trans153.3111.3149.7-83.1163.6000110.6
1005K30.4Very low32.4Very low174 Ų174155.5 Ų155.576%0.75777%0.772SS**  trans53110.7150.2-59172.4-169.3177.80119.4
1006H27.1Very low32Very low197 Ų197159.4 Ų159.491%0.91278%0.783SS**  trans-87.4148.8133.2-107.8-93.8000109.8
1007I31.9Very low32Very low151 Ų151161.4 Ų161.477%0.77481%0.808SS**  trans-110.8156.9168.1-69.8174.9000107.5
1008A30Very low31.8Very low87 Ų87161 Ų16172%0.71981%0.811SS**  trans-92.7179.5-16400000115.2
1009E29.3Very low31.6Very low184 Ų184161.8 Ų161.886%0.8682%0.816SS**  trans76.6151.5167.8-58.9-164.6163.700118.4
1010P41.9Very low31.5Very low115 Ų115159.9 Ų159.975%0.74781%0.814SS**  cis-136-175.3-45.538.8-23.7000112.8
1011E32.5Very low31.3Very low181 Ų181157.8 Ų157.885%0.84681%0.812SS**  trans-64.7147.6174.7-55.2-178.3135.400113.5
1012S31.2Very low31.2Very low122 Ų122162.2 Ų162.285%0.85382%0.824SS**  trans-144.1147.4150.161.70000110.5
1013K31.6Very low31.2Very low172 Ų172157.4 Ų157.475%0.74882%0.818SS**  trans-96.5171.9-162.8-58.6177.1179.9177.50113.5
1014E28.6Very low31.5Very low153 Ų153160.5 Ų160.572%0.71582%0.82SS**  trans90.4142.1134.8-97.5168.4-134.300121.9
1015L29.3Very low31.6Very low137 Ų137161.6 Ų161.672%0.71783%0.825SS**  trans70.9107.2149.2-64.7166.8000121.2
1016F28.6Very low31.6Very low190 Ų190160.6 Ų160.683%0.83383%0.831SS**  34.7116128.7-81.5-94.3000119.7
1017L37.8Very low32.1Very low238 Ų238157.3 Ų157.3100%1.24682%0.823SS**  -156.20107.8-112.8166.6000112.3

Retrieved 1,017 of 1,017 residues in 1083.2 ms (Link to these results)