A0A087XLU6_POEFO Loading...

SRY-box transcription factor 6

AlphaFold DB , UniProt , Accession A0A087XLU6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 761 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
1M34.2Very low35.9Very low238 Ų238140 Ų140100%1.17281%0.814SS**  0109.90-64.2154.478.800105.4
2S32.9Very low35.3Very low120 Ų120136.7 Ų136.784%0.83980%0.804SS**  75.4125.967.7-173.40000111.4
3S36.9Very low34.9Very low100 Ų100136.5 Ų136.570%0.69981%0.805SS**  cis-170.8-175.7-9.5-173.20000109.9
4K40.2Very low34.7Very low171 Ų171135.9 Ų135.974%0.74380%0.803SS**  trans83.8113.3165.6-53.7-175-177.2-176.30115.8
5Q34.7Very low34.5Very low170 Ų170136.9 Ų136.979%0.79480%0.804SS**  80.9129.284.9-71.7163.3-12.500112
6A40.7Very low34.2Very low91 Ų91133.1 Ų133.175%0.75280%0.802SS**  cis70.9137.148.200000112.3
7T31.6Very low34.1Very low136 Ų136134.9 Ų134.983%0.83481%0.806SS**  cis-142.2-172.927.362.80000114.3
8S32.2Very low33.9Very low95 Ų95136.5 Ų136.566%0.66481%0.81SS**  trans-87170.1159.2-176.20000110.7
9P49.8Very low33.9Very low126 Ų126133.6 Ų133.682%0.81880%0.803SS**  -149.5-162.495.541.8-22.8000115.6
10F31.3Very low33.8Very low203 Ų203134.9 Ų134.989%0.8980%0.802SS**  trans-100.1166.6-173.4-119.4-104.1000113.8
11A30.9Very low33.6Very low90 Ų90134.5 Ų134.574%0.74481%0.806SS**  trans68.9157.7155.300000118.9
12S28.1Very low33.2Very low100 Ų100130.9 Ų130.970%0.69979%0.786SS**  cis-176.6161.1-24.757.60000111.6
13V29.9Very low33Very low135 Ų135133 Ų13382%0.81878%0.783SS**  trans84.7142.9158.4177.20000120
14V32.4Very low32.6Very low128 Ų128135.7 Ų135.778%0.77678%0.784SS**  trans99.5139158.3137.30000121.2
15D31.8Very low32Very low151 Ų151133.8 Ų133.881%0.80778%0.781SS**  trans-62.5168-164.7-56.9-80.7000119.6
16G30.4Very low31.5Very low75 Ų75130 Ų13077%0.77377%0.773SS**  trans162.388.6164.200000113.1
17D31.6Very low30.7Very low164 Ų164137.3 Ų137.388%0.87778%0.782SS**  trans-64.9148.2179.9-68.4-71.3000114.4
18D31.3Very low30.5Very low164 Ų164138.5 Ų138.588%0.87778%0.778SS**  -152.9161.9112.6-143.6-24.2000111.7
19A32.7Very low30.3Very low81 Ų81141.6 Ų141.667%0.66978%0.779SS**  trans-90.4172.6-166.200000114
20M32Very low29.3Very low160 Ų160141.5 Ų141.579%0.78877%0.772SS**  cis-155.2153.1-3.2-132.3-162.1-160.400110
21S29.3Very low29.3Very low127 Ų127140 Ų14089%0.88877%0.767SS**  trans-164123.9158.2-80.20000110.9
22Q27.4Very low29.1Very low161 Ų161140.5 Ų140.575%0.75277%0.766SS**  trans-118.3129.4-175.3-153171.9-3.400107.7
23E28.3Very low29Very low166 Ų166140.9 Ų140.978%0.77678%0.775SS**  60.3149.464.3-78.9-148.4148.500114.4
24H28.7Very low29Very low155 Ų155143.3 Ų143.372%0.71878%0.777SS**  cis-164.5-160.2-20.9-175.6-116.5000107.9
25L27.7Very low28.8Very low132 Ų132141 Ų14169%0.69177%0.772SS**  trans-75.4138.2-175.9-81.8154000115.6
26S22.9Very low28.6Very low89 Ų89143 Ų14362%0.62278%0.776SS**  trans26.7135.8140.665.10000122.3
27W24.2Very low28.4Very low245 Ų245143.3 Ų143.393%0.92878%0.778SS**  -169-156.5119.1-109.744.9000112.8
28E26.8Very low28.2Very low161 Ų161142.1 Ų142.175%0.75278%0.778SS**  trans-110.9161.6-144.3-142.9-169.2-170.500116.6
29K28.8Very low28.9Very low161 Ų161139.5 Ų139.570%0.777%0.77SS**  trans92.9121.1132.5-165.4168.5176.864.90124.5
30D29.4Very low28.5Very low123 Ų123144 Ų14466%0.65878%0.776SS**  trans55.5129.5143.1-72-36.8000128.5
31E30.7Very low28.3Very low171 Ų171143.7 Ų143.780%0.79978%0.778SS**  trans61.4138.6131-114.9-161.876.400127.8
32S25.9Very low29Very low101 Ų101142.5 Ų142.571%0.70677%0.767SS**  trans66.9113.1140.2-79.30000124.5
33A28Very low29.1Very low108 Ų108142 Ų14289%0.89377%0.768SS**  trans-165.2152.1132.300000112.7
34E28Very low29Very low187 Ų187141.6 Ų141.687%0.87477%0.766SS**  trans-79.7163.9-175.5-63.516674.500115.9
35A28.7Very low28.8Very low80 Ų80139 Ų13966%0.66177%0.765SS**  151.9122.5114.900000116.5
36H28.9Very low28.9Very low193 Ų193140.4 Ų140.489%0.89477%0.773SS**  trans42136.8149-51.2-53.9000123.9
37G24.6Very low29.2Very low80 Ų80142.7 Ų142.783%0.82578%0.777SS**  trans170.741.6165.700000121.4
38T27.3Very low29.5Very low140 Ų140139.5 Ų139.586%0.85977%0.772SS**  trans-75.2150.6167.642.70000112
39P46.4Very low29.5Very low109 Ų109135.4 Ų135.471%0.70877%0.773SS**  cis-132.7-156.444.137.1-14.5000112.8
40Q24.3Very low29.4Very low174 Ų174137.5 Ų137.581%0.81378%0.782SS**  cis-155.7-154.214-151.7162.5-18.600113.2
41L28.5Very low29.3Very low155 Ų155136 Ų13681%0.81279%0.786SS**  trans-152-178.7-169.8-77-179000107
42P44.6Very low30Very low102 Ų102132.7 Ų132.766%0.66278%0.78SS**  cis-153.7-173.52148.6-28.2000119.7
43L27.8Very low30.2Very low149 Ų149134.6 Ų134.678%0.7878%0.782SS**  trans72.1152.4160.1-60.3173.5000118
44H26.7Very low30.1Very low159 Ų159136.5 Ų136.574%0.73677%0.773SS**  cis-143.9156.65.8-148-72.5000113
45S25.2Very low30.2Very low100 Ų100135.1 Ų135.170%0.69977%0.768SS**  trans-96.8150.8-179-40.20000114.8
46L29.1Very low30.1Very low162 Ų162139.9 Ų139.985%0.84878%0.777SS**  trans-176.6156.7149.2-92.2131.1000109.6
47L30.2Very low30.7Very low137 Ų137135.8 Ų135.872%0.71777%0.767SS**  -170.6137.9-50.2-120.6172.2000111.1
48H30.1Very low30.7Very low178 Ų178139.4 Ų139.482%0.82477%0.767SS**  trans60139.6152.2-10470.6000122.9
49G25.7Very low30.6Very low74 Ų74138 Ų13876%0.76376%0.762SS**  trans173.7142.616600000111.9
50K27.8Very low29.6Very low206 Ų206138.4 Ų138.490%0.89677%0.768SS**  trans-126.9160.3-176.1-90.5-173.9174.4-178.20113.1
51A27.7Very low30Very low90 Ų90136.7 Ų136.774%0.74477%0.769SS**  trans-75.1-170.5165.500000110.9
52P45.2Very low30.8Very low102 Ų102134.6 Ų134.666%0.66277%0.765SS**  cis-145.1-163.926.743.3-20.9000117
53D28.8Very low30.4Very low142 Ų142135.8 Ų135.876%0.75977%0.773SS**  trans70.3153.8151.5-65.6-18.6000119.8
54E27.3Very low30.3Very low147 Ų147137.4 Ų137.469%0.68778%0.776SS**  cis-154.4168.51.6-135.3-176.3156.500113.9
55M28.7Very low30.5Very low158 Ų158135.7 Ų135.778%0.77878%0.782SS**  trans63.5135.7152.3-62.9-155.8-172.700124.7
56Q26.7Very low30.6Very low181 Ų181138.3 Ų138.385%0.84679%0.788SS**  trans-83.7179.7155.3-80-169.4-19.800110.1
57P41.4Very low30.6Very low106 Ų106142.7 Ų142.769%0.68879%0.794SS**  cis-155.8-171.528.945.8-22.9000120.2
58L25.5Very low30.3Very low157 Ų157142.7 Ų142.782%0.82279%0.794SS**  trans75.9115.7147.7-83.4164.4000123.1
59S24Very low30.2Very low109 Ų109138.7 Ų138.776%0.76279%0.786SS**  65.9112.5129.9-161.70000122.3
60S27.3Very low30.2Very low118 Ų118143.2 Ų143.283%0.82579%0.792SS**  -171169.7127.626.10000110.8
61V31.1Very low30.2Very low139 Ų139138.9 Ų138.984%0.84278%0.783SS**  trans-111.4-178.1-175.7-131.10000111
62P44.9Very low30.2Very low110 Ų110140.4 Ų140.471%0.71479%0.788SS**  trans-86.3-179.6-135.244.4-35.3000113.9
63P37.6Very low29.4Very low128 Ų128140.1 Ų140.183%0.83179%0.794SS**  -143.5-178.594.840.4-26.1000115.7
64E26.1Very low29.3Very low183 Ų183140.2 Ų140.286%0.85579%0.79SS**  trans-75.5151.7-177.7-46.7172151.600113.2
65S30.2Very low29.3Very low122 Ų122140.4 Ų140.485%0.85379%0.791SS**  trans-179.3142.9140.5-79.70000112
66D28.2Very low29.4Very low155 Ų155142.4 Ų142.483%0.82979%0.79SS**  trans-71.6149.7172-58.9-82.5000113
67W27.1Very low29.4Very low255 Ų255140.8 Ų140.897%0.96678%0.784SS**  trans-148.2134.5146.4-89.5107.7000110.7
68D25.5Very low28.6Very low137 Ų137141.9 Ų141.973%0.73378%0.78SS**  trans-120.4138.1-179.9-164.1-17.5000110.8
69S26.7Very low29.7Very low93 Ų93140.5 Ų140.565%0.6578%0.78SS**  trans62109.7159.2-70.30000122.2
70L25.9Very low30Very low169 Ų169142 Ų14289%0.88578%0.78SS**  trans-152.3101.4130-146.785.8000108.2
71V28Very low30Very low116 Ų116140.7 Ų140.770%0.70377%0.77SS**  60.5102.677-179.60000115.5
72S27.1Very low29.9Very low121 Ų121139.7 Ų139.785%0.84676%0.76SS**  trans166.6143.5146.4-75.70000106.1
73A29.8Very low29.3Very low96 Ų96143.4 Ų143.479%0.79377%0.765SS**  cis178.2173.729.800000105.9
74Q27.1Very low28.9Very low145 Ų145142.9 Ų142.968%0.67876%0.759SS**  cis-176.5150.8-11.6165.964.3-4200110.4
75Q26.4Very low28.9Very low150 Ų150140.1 Ų140.170%0.70176%0.759SS**  trans65.1144.1165.9-77153-2.800119.1
76R30.3Very low28.8Very low201 Ų201138.7 Ų138.776%0.75875%0.749SS**  cis106.6145.926.1-81.3-114.1-69.9171-2.2112.1
77M27.1Very low28.7Very low146 Ų146138.9 Ų138.972%0.71975%0.749SS**  cis-146.5145.124.7-75.9-164.5-58.900115.4
78E25Very low28.7Very low129 Ų129136.7 Ų136.760%0.60374%0.742SS**  30.1146116.8-76.6-55.8128.700122.6D80E78-D80 PolarHBondContact OE2-N 3.39Å
79P47.6Very low28.8Very low128 Ų128134.8 Ų134.883%0.83174%0.739SS**  -145.8135.472.538.1-18.6000121.4
80D30.5Very low28.9Very low142 Ų142139.6 Ų139.676%0.75975%0.749SS**  trans-12.3160.4141.8-110.4-36.7000119.8E78E78-D80 PolarHBondContact OE2-N 3.39Å
81S28.1Very low28.8Very low89 Ų89143.1 Ų143.162%0.62275%0.75SS**  cis-156.2-158.58.953.40000109.1
82N29.1Very low28.8Very low118 Ų118144.5 Ų144.563%0.63175%0.754SS**  cis-161.2179.29.3-139-81.9000105.4V84N82-V84 WeakPolarHBondContact OD1-CG2 3.35Å
83K32.3Very low28.8Very low188 Ų188146.4 Ų146.482%0.81776%0.755SS**  cis-144.6144.218-62-177.8-178.9178.60107.3
84V29.6Very low28.8Very low117 Ų117146.5 Ų146.571%0.70975%0.749SS**  8899.651.8179.10000115.2N82N82-V84 WeakPolarHBondContact OD1-CG2 3.35Å
85C26.4Very low28.9Very low125 Ų125146.6 Ų146.685%0.84576%0.76SS**  trans63.7159.1153.7-710000120.7
86S26.4Very low29Very low92 Ų92144.8 Ų144.864%0.64376%0.764SS**  cis-175.3149-23.7-175.20000106.4
87L27Very low29.7Very low160 Ų160140.4 Ų140.484%0.83876%0.761SS**  -179.2171.381.2-128.8113.3000114.7
88Y27Very low29.7Very low209 Ų209142.3 Ų142.382%0.8277%0.768SS**  trans-60.5169.4169.9-95.4-128.7000115.6
89S27.3Very low30.2Very low96 Ų96144.7 Ų144.767%0.67178%0.777SS**  cis-166.8-176.6-13.4-135.20000113.4
90F28.3Very low29.8Very low194 Ų194144.4 Ų144.485%0.85178%0.775SS**  trans-38.5149.9176.2-86.7-97.8000120.5
91R25.2Very low29.6Very low243 Ų243145.9 Ų145.992%0.91778%0.777SS**  trans-157.4149.1130-139.8176.9-178.1-152.4-1.2114.2
92N27.4Very low29.6Very low146 Ų146150.7 Ų150.778%0.78179%0.79SS**  trans-99.5147.9168.9-86.7-10.7000111.1
93N26.1Very low29.5Very low161 Ų161148.7 Ų148.786%0.86180%0.797SS**  -164.9171.8117.9-153.38.8000112.2
94S31Very low29.4Very low97 Ų97144.2 Ų144.268%0.67880%0.795SS**  trans-92.8149.4-178.1-49.20000113.9
95T27.9Very low29.4Very low147 Ų147150.7 Ų150.790%0.90281%0.807SS**  trans-168.9161.5130.235.40000111.8
96S29.2Very low29.7Very low112 Ų112154.4 Ų154.478%0.78381%0.812SS**  trans-121.6165.8162.5-136.50000106.6
97P46Very low30Very low109 Ų109159.2 Ų159.271%0.70882%0.816SS**  cis-147.8-159.232.838.8-14.3000116.6
98H26.9Very low30.1Very low186 Ų186157.3 Ų157.386%0.86182%0.816SS**  trans95.8144.1160-104.1-88.9000122.1
99K35.8Very low30.3Very low179 Ų179151.4 Ų151.478%0.77880%0.799SS**  trans-105154.7163.1-72.5-173.8172.5-172.20109.1
100P37.7Very low30.7Very low122 Ų122153.6 Ų153.679%0.79280%0.8SS**  -109.9165.583.2-6.927.8000112.5
101E26.4Very low31Very low173 Ų173151 Ų15181%0.80879%0.794SS**  84.3125.150.9-157170.3135.300114.1
102E29Very low31.4Very low190 Ų190144.6 Ų144.689%0.88879%0.787SS**  trans31.6147.3173.2-60.6-163149.200122.2
103G27.5Very low31.3Very low77 Ų77141.4 Ų141.479%0.79479%0.789SS**  cis161.391.9-4.100000114.8
104A28.9Very low31.7Very low94 Ų94139.2 Ų139.278%0.77779%0.786SS**  trans-151.3125.1166.500000108.7
105R30.6Very low31.9Very low252 Ų252139.1 Ų139.195%0.95179%0.791SS**  66.494.668.3-74.5-171.1178.8145.10.8114.3
106E32.8Very low32Very low204 Ų204142.2 Ų142.295%0.95379%0.792SS**  -138.6153.9116.4-157.4161.1-132.400108.9
107R31.8Very low32.4Very low193 Ų193140 Ų14073%0.72879%0.787SS**  trans-157.1118.3-165.9-165.6-169.9-145.9-123.89.4113.1D109R107-D109 WeakPolarHBondContact CD-OD2 3.5Å; R107-D109 WeakPolarHBondContact CG-OD2 3.44Å; R107-D109 IonicContact CZ-OD1 3.4Å; R107-D109 IonicContact CZ-OD2 2.71Å; R107-D109 IonicContact NE-OD2 3.26Å; R107-D109 IonicContact NH1-OD1 3.64Å; R107-D109 PolarHBondContact NH1-OD1 3.41Å; R107-D109 IonicContact NH1-OD2 2.67Å; R107-D109 PolarHBondContact NH1-OD2 3.18Å
108S28.7Very low31.8Very low119 Ų119141.7 Ų141.783%0.83280%0.795SS**  trans-142.4113.8159.4-67.20000105.2
109D32.5Very low32.7Very low85 Ų85138.3 Ų138.346%0.45579%0.79SS.*  cis56.4135.932.5-67.7-22.7000112.3R107R107-D109 WeakPolarHBondContact CD-OD2 3.5Å; R107-D109 WeakPolarHBondContact CG-OD2 3.44Å; R107-D109 IonicContact CZ-OD1 3.4Å; R107-D109 IonicContact CZ-OD2 2.71Å; R107-D109 IonicContact NE-OD2 3.26Å; R107-D109 IonicContact NH1-OD1 3.64Å; R107-D109 PolarHBondContact NH1-OD1 3.41Å; R107-D109 IonicContact NH1-OD2 2.67Å; R107-D109 PolarHBondContact NH1-OD2 3.18Å
110M34.3Very low33.4Very low142 Ų142138.6 Ų138.670%0.779%0.794SS**  cis-130.5177.110.8-64-98.688.300108.6
111L35.7Very low33.6Very low139 Ų139140.9 Ų140.973%0.72879%0.787SS**  cis-174.7162.9-26.2-95.4-177000105
112S32.4Very low34.5Very low110 Ų110143.9 Ų143.977%0.76979%0.791SS**  cis-161.8177.4-11.8-171.20000107.8
113G26.6Very low35.1Very low79 Ų79144.2 Ų144.281%0.81479%0.789SS**  trans172.564174.400000115.2
114S33.7Very low36.4Very low115 Ų115143.3 Ų143.380%0.80478%0.78SS**  trans-92.4140.7-170.4-174.60000114.5
115A35.3Very low38.2Very low94 Ų94141.1 Ų141.178%0.77776%0.759SS**  trans-143.5123162.800000112
116F29.1Very low39.8Very low213 Ų213135.6 Ų135.693%0.93475%0.747SS**  trans-32.2147.6177.9-68.7-100.5000118.5
117G38.7Very low41.2Very low65 Ų65127.2 Ų127.267%0.6771%0.713SS**  trans-130.8157.416600000113.4
118T33.2Very low43.4Very low144 Ų144120.3 Ų120.388%0.88369%0.691SS**  trans168.5161.6158.325.30000109.4
119P46.7Very low45.8Very low115 Ų115118.4 Ų118.475%0.74767%0.674SS**  cis-111-174.3-48.338-26.3000110.6R121P119-R121 PolarHBondContact O-N 2.86Å
120E50Low48.2Very low185 Ų185117.4 Ų117.486%0.86467%0.671SS**  trans-60.3100.5-174.5-170.4174.4-177.900114R122E120-R122 PolarHBondContact O-N 2.93Å
121R41.5Very low50.2Low170 Ų170114.7 Ų114.764%0.64266%0.659SS**PPolyproline II helixtrans-68.8128175-94.3-172.3171-171.31.2111.7P119 K123P119-R121 PolarHBondContact O-N 2.86Å; R121-K123 PolarHBondContact O-N 3.12Å
122R45.8Very low52.3Low236 Ų236111.8 Ų111.889%0.89165%0.651SS**PPolyproline II helixtrans-64.6122172.3-65.1179.6-177.5138.71.3110.1E120E120-R122 PolarHBondContact O-N 2.93Å
123K41.7Very low54.4Low197 Ų197112 Ų11286%0.85764%0.642SS**SBendtrans-72.6130-171.7-44.4-169.1-174.7-163.20111R121R121-K123 PolarHBondContact O-N 3.12Å
124G53.4Low56.9Low59 Ų59114.7 Ų114.761%0.60863%0.632SS**SBendtrans107.322.7-172.400000114.3D128G124-D128 WeakPolarHBondContact CA-OD2 3.18Å; G124-D128 PolarHBondContact N-OD2 2.9Å
125S68.4Low58.8Low47 Ų47115.7 Ų115.733%0.32962%0.624SS.*  trans-69.2159.4172.7-175.30000111.8A127 D128 V129S125-A127 PolarHBondContact O-N 3.37Å; S125-A127 PolarHBondContact OG-N 2.71Å; S125-D128 PolarHBondContact N-OD2 3.34Å; S125-D128 WeakPolarHBondContact O-CB 3.49Å; S125-D128 PolarHBondContact O-N 3.42Å; S125-D128 VanDerWaalsContact O-N 3.13Å; S125-V129 PolarHBondContact O-N 3.06Å
126L62.8Low60.7Low136 Ų136117.2 Ų117.271%0.71261%0.613SS**Hα-helixtrans-58.8-31.6170.4-177.961.5000111.6V129 V130L126-V129 PolarHBondContact O-N 2.97Å; L126-V130 WeakPolarHBondContact O-CG2 3.43Å; L126-V130 PolarHBondContact O-N 3.01Å
127A63.6Low63.1Low28 Ų28112.3 Ų112.323%0.23159%0.591CS.*Hα-helixtrans-58.8-52.6171.900000111.2S125 V129 V130 D131S125-A127 PolarHBondContact O-N 3.37Å; S125-A127 PolarHBondContact OG-N 2.71Å; A127-V129 PolarHBondContact O-N 3.09Å; A127-V129 VanDerWaalsContact O-N 3.14Å; A127-V130 CarbonylContact O-C 3.21Å; A127-V130 WeakPolarHBondContact O-CA 3.47Å; A127-V130 PolarHBondContact O-N 3.08Å; A127-D131 PolarHBondContact O-N 2.78Å
128D78.4Confident64.5Low48 Ų48114.3 Ų114.326%0.25759%0.586SS.*Hα-helixtrans-57.3-32.6178.7-42.6-11.1000112.2G124 S125 S132G124-D128 WeakPolarHBondContact CA-OD2 3.18Å; G124-D128 PolarHBondContact N-OD2 2.9Å; S125-D128 PolarHBondContact N-OD2 3.34Å; S125-D128 WeakPolarHBondContact O-CB 3.49Å; S125-D128 PolarHBondContact O-N 3.42Å; S125-D128 VanDerWaalsContact O-N 3.13Å; D128-S132 WeakPolarHBondContact O-CB 3.4Å; D128-S132 PolarHBondContact O-N 3.29Å; D128-S132 PolarHBondContact O-OG 2.97Å
129V78.9Confident66.3Low79 Ų79113.4 Ų113.448%0.47957%0.572SS.*Hα-helixtrans-73.1-42.2175177.70000111.6S125 L126 A127 L133S125-V129 PolarHBondContact O-N 3.06Å; L126-V129 PolarHBondContact O-N 2.97Å; A127-V129 PolarHBondContact O-N 3.09Å; A127-V129 VanDerWaalsContact O-N 3.14Å; V129-L133 VanDerWaalsContact O-CB 3.25Å; V129-L133 WeakPolarHBondContact O-CB 3.49Å; V129-L133 PolarHBondContact O-N 3.16Å
130V81.3Confident67.5Low64 Ų64112.2 Ų112.239%0.38856%0.556SS.*Hα-helixtrans-65.4-40.6175.1168.90000111.2L126 A127 L133 K134L126-V130 WeakPolarHBondContact O-CG2 3.43Å; L126-V130 PolarHBondContact O-N 3.01Å; A127-V130 CarbonylContact O-C 3.21Å; A127-V130 WeakPolarHBondContact O-CA 3.47Å; A127-V130 PolarHBondContact O-N 3.08Å; V130-L133 PolarHBondContact O-N 2.77Å; V130-K134 HydrophobicContact CG1-CD 4.47Å; V130-K134 WeakPolarHBondContact O-CB 3.31Å; V130-K134 WeakPolarHBondContact O-CG 3.44Å; V130-K134 PolarHBondContact O-N 3.12Å
131D77.4Confident67.5Low85 Ų85108 Ų10846%0.45554%0.537SS..Hα-helixtrans-71.6-39.1178.1-64.5-33000111A127 L133 K134 Q135A127-D131 PolarHBondContact O-N 2.78Å; D131-L133 VanDerWaalsContact C-N 3.3Å; D131-L133 PolarHBondContact O-N 3.5Å; D131-K134 PolarHBondContact O-N 2.98Å; D131-Q135 WeakPolarHBondContact O-CB 3.49Å; D131-Q135 PolarHBondContact O-N 2.78Å
132S78.4Confident68.5Low79 Ų79103.8 Ų103.855%0.55253%0.531SS*.Hα-helixtrans-62.1-36.2169.3-60.70000112.4D128 K136D128-S132 WeakPolarHBondContact O-CB 3.4Å; D128-S132 PolarHBondContact O-N 3.29Å; D128-S132 PolarHBondContact O-OG 2.97Å; S132-K136 VanDerWaalsContact O-CB 3.3Å; S132-K136 WeakPolarHBondContact O-CB 3.37Å; S132-K136 PolarHBondContact O-N 3.32Å
133L78.3Confident68.9Low114 Ų11498.2 Ų98.260%0.59751%0.513SS*.Hα-helixtrans-73.2-39.3177.6-176.962.3000111.6V129 V130 D131 K136 K137V129-L133 VanDerWaalsContact O-CB 3.25Å; V129-L133 WeakPolarHBondContact O-CB 3.49Å; V129-L133 PolarHBondContact O-N 3.16Å; V130-L133 PolarHBondContact O-N 2.77Å; D131-L133 VanDerWaalsContact C-N 3.3Å; D131-L133 PolarHBondContact O-N 3.5Å; L133-K136 PolarHBondContact O-N 3.02Å; L133-K137 VanDerWaalsContact O-CB 3.29Å; L133-K137 WeakPolarHBondContact O-CB 3.48Å; L133-K137 PolarHBondContact O-N 3.15Å
134K77.8Confident69.1Low136 Ų13692.4 Ų92.459%0.59149%0.494SS*.Hα-helixtrans-61.7-45.4170.8-80178.2173.5177.80111.4V130 D131 K137 L138V130-K134 HydrophobicContact CG1-CD 4.47Å; V130-K134 WeakPolarHBondContact O-CB 3.31Å; V130-K134 WeakPolarHBondContact O-CG 3.44Å; V130-K134 PolarHBondContact O-N 3.12Å; D131-K134 PolarHBondContact O-N 2.98Å; K134-K137 PolarHBondContact O-N 3Å; K134-L138 WeakPolarHBondContact O-CB 3.44Å; K134-L138 PolarHBondContact O-N 3.3Å
135Q73.4Confident69.1Low135 Ų13593.7 Ų93.763%0.63148%0.484SS*.Hα-helixtrans-65.5-43.2177.6-173.4154.67.500111.2D131 K137 L138 E139D131-Q135 WeakPolarHBondContact O-CB 3.49Å; D131-Q135 PolarHBondContact O-N 2.78Å; Q135-K137 VanDerWaalsContact C-N 3.31Å; Q135-K137 PolarHBondContact O-N 2.85Å; Q135-L138 PolarHBondContact O-N 3.37Å; Q135-E139 VanDerWaalsContact O-CB 3.23Å; Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 PolarHBondContact O-N 3.46Å
136K75.8Confident68.1Low126 Ų12698.5 Ų98.555%0.54850%0.501SS..Hα-helixtrans-60.8-38.4172-168.1-167.2174.6-153.20112.1S132 L133 E139 E140S132-K136 VanDerWaalsContact O-CB 3.3Å; S132-K136 WeakPolarHBondContact O-CB 3.37Å; S132-K136 PolarHBondContact O-N 3.32Å; L133-K136 PolarHBondContact O-N 3.02Å; K136-E139 PolarHBondContact O-N 3.24Å; K136-E140 WeakPolarHBondContact O-CB 3.48Å; K136-E140 PolarHBondContact O-N 3.17Å
137K79Confident67.3Low111 Ų11196.3 Ų96.348%0.48349%0.49SS..Hα-helixtrans-68.1-38.5177.9-170.271.3-158.8163.80111.9L133 K134 Q135 E140 M141L133-K137 VanDerWaalsContact O-CB 3.29Å; L133-K137 WeakPolarHBondContact O-CB 3.48Å; L133-K137 PolarHBondContact O-N 3.15Å; K134-K137 PolarHBondContact O-N 3Å; Q135-K137 VanDerWaalsContact C-N 3.31Å; Q135-K137 PolarHBondContact O-N 2.85Å; K137-E140 WeakPolarHBondContact CD-OE2 3.37Å; K137-E140 WeakPolarHBondContact CE-OE2 3.44Å; K137-E140 IonicContact NZ-OE2 2.7Å; K137-E140 PolarHBondContact NZ-OE2 3.2Å; K137-M141 WeakPolarHBondContact O-CG 3.45Å; K137-M141 PolarHBondContact O-N 3.22Å; K137-M141 VanDerWaalsContact O-N 3.07Å
138L69.8Low66.4Low106 Ų106101.3 Ų101.356%0.55551%0.509SS*.Hα-helixtrans-64.4-48.1173.2-176.264.6000111.1K134 Q135 E140 M141 T142K134-L138 WeakPolarHBondContact O-CB 3.44Å; K134-L138 PolarHBondContact O-N 3.3Å; Q135-L138 PolarHBondContact O-N 3.37Å; L138-E140 VanDerWaalsContact C-N 3.31Å; L138-E140 PolarHBondContact O-N 3.26Å; L138-M141 HydrophobicContact CD1-CE 4.44Å; L138-M141 PolarHBondContact O-N 2.95Å; L138-T142 PolarHBondContact O-N 3.22Å; L138-T142 PolarHBondContact O-OG1 3.36Å
139E70.9Confident64.9Low126 Ų126102.4 Ų102.459%0.58952%0.521SS*.Hα-helixtrans-65.1-31.3178.7-168173.4-113.800112.5Q135 K136 T142 K143Q135-E139 VanDerWaalsContact O-CB 3.23Å; Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 PolarHBondContact O-N 3.46Å; K136-E139 PolarHBondContact O-N 3.24Å; E139-T142 PolarHBondContact O-OG1 2.98Å; E139-K143 WeakPolarHBondContact O-CB 3.28Å; E139-K143 PolarHBondContact O-N 3.18Å
140E70.5Confident63.5Low89 Ų89100.2 Ų100.242%0.41651%0.509SS..Hα-helixtrans-67-49.9170.6-178.3176.3-99.600111.3K136 K137 L138 K143 T144K136-E140 WeakPolarHBondContact O-CB 3.48Å; K136-E140 PolarHBondContact O-N 3.17Å; K137-E140 WeakPolarHBondContact CD-OE2 3.37Å; K137-E140 WeakPolarHBondContact CE-OE2 3.44Å; K137-E140 IonicContact NZ-OE2 2.7Å; K137-E140 PolarHBondContact NZ-OE2 3.2Å; L138-E140 VanDerWaalsContact C-N 3.31Å; L138-E140 PolarHBondContact O-N 3.26Å; E140-K143 PolarHBondContact O-N 2.97Å; E140-T144 PolarHBondContact O-N 3.04Å; E140-T144 PolarHBondContact O-OG1 3.41Å
141M51.2Low61.7Low97 Ų97100.4 Ų100.448%0.47851%0.512SS..Hα-helixtrans-64.7-41.5179.7-68.8-173.6-43.100112.9K137 L138 K143 T144K137-M141 WeakPolarHBondContact O-CG 3.45Å; K137-M141 PolarHBondContact O-N 3.22Å; K137-M141 VanDerWaalsContact O-N 3.07Å; L138-M141 HydrophobicContact CD1-CE 4.44Å; L138-M141 PolarHBondContact O-N 2.95Å; M141-K143 VanDerWaalsContact C-N 3.27Å; M141-K143 PolarHBondContact O-N 3.35Å; M141-T144 WeakPolarHBondContact CA-OG1 3.37Å; M141-T144 PolarHBondContact O-OG1 3.24Å
142T62.3Low60.5Low81 Ų81102 Ų10250%0.49752%0.518SS..Hα-helixtrans-69.6-25.4176.353.40000112.8L138 E139L138-T142 PolarHBondContact O-N 3.22Å; L138-T142 PolarHBondContact O-OG1 3.36Å; E139-T142 PolarHBondContact O-OG1 2.98Å
143K54.6Low59.7Low119 Ų119104.1 Ų104.152%0.51752%0.519SS..Hα-helixtrans-76.6-34.7178.1-176.4170.2-173.3-76.60112.7E139 E140 M141 E145 Q146 D147E139-K143 WeakPolarHBondContact O-CB 3.28Å; E139-K143 PolarHBondContact O-N 3.18Å; E140-K143 PolarHBondContact O-N 2.97Å; M141-K143 VanDerWaalsContact C-N 3.27Å; M141-K143 PolarHBondContact O-N 3.35Å; K143-E145 PolarHBondContact O-N 3.5Å; K143-Q146 PolarHBondContact O-N 3.41Å; K143-Q146 VanDerWaalsContact O-N 3.16Å; K143-D147 WeakPolarHBondContact CE-OD2 3.46Å; K143-D147 IonicContact NZ-OD2 2.7Å; K143-D147 PolarHBondContact NZ-OD2 3.27Å; K143-D147 PolarHBondContact O-N 3.3Å
144T45.7Very low59Low76 Ų76104.4 Ų104.447%0.46652%0.516SS..Hα-helixtrans-55-48.9178.113.80000112.3E140 M141 Q146 D147 E148E140-T144 PolarHBondContact O-N 3.04Å; E140-T144 PolarHBondContact O-OG1 3.41Å; M141-T144 WeakPolarHBondContact CA-OG1 3.37Å; M141-T144 PolarHBondContact O-OG1 3.24Å; T144-Q146 VanDerWaalsContact C-N 3.28Å; T144-Q146 PolarHBondContact O-N 3.41Å; T144-D147 PolarHBondContact O-N 2.96Å; T144-E148 WeakPolarHBondContact O-CG 3.49Å; T144-E148 PolarHBondContact O-N 2.83Å
145E53.3Low58.2Low86 Ų86102.4 Ų102.440%0.40251%0.511SS..Hα-helixtrans-61.4-35.4178.8-61.7-170.594.600112.9K143 S149 K212K143-E145 PolarHBondContact O-N 3.5Å; E145-S149 WeakPolarHBondContact O-CB 3.44Å; E145-S149 PolarHBondContact O-N 3.34Å; E145-S149 PolarHBondContact O-OG 2.94Å; E145-K212 WeakPolarHBondContact OE1-CE 3.5Å; E145-K212 IonicContact OE1-NZ 3.22Å; E145-K212 PolarHBondContact OE1-NZ 2.95Å; E145-K212 WeakPolarHBondContact OE2-CE 3.42Å; E145-K212 IonicContact OE2-NZ 2.9Å; E145-K212 PolarHBondContact OE2-NZ 3.36Å
146Q46.2Very low57.6Low147 Ų147101.5 Ų101.569%0.68751%0.51SS*.Hα-helixtrans-79.2-34.4-177.3-164.9172.226.800113.1K143 T144 S149 S150K143-Q146 PolarHBondContact O-N 3.41Å; K143-Q146 VanDerWaalsContact O-N 3.16Å; T144-Q146 VanDerWaalsContact C-N 3.28Å; T144-Q146 PolarHBondContact O-N 3.41Å; Q146-S149 PolarHBondContact O-OG 3.5Å; Q146-S150 WeakPolarHBondContact O-CB 3.39Å; Q146-S150 PolarHBondContact O-N 3.27Å
147D45.9Very low57.1Low90 Ų9098.6 Ų98.648%0.48151%0.505SS..Hα-helixtrans-74.8-37.3174.2-88.6-28.9000112K143 T144 C151K143-D147 WeakPolarHBondContact CE-OD2 3.46Å; K143-D147 IonicContact NZ-OD2 2.7Å; K143-D147 PolarHBondContact NZ-OD2 3.27Å; K143-D147 PolarHBondContact O-N 3.3Å; T144-D147 PolarHBondContact O-N 2.96Å; D147-C151 VanDerWaalsContact O-CB 3.26Å; D147-C151 WeakPolarHBondContact O-CB 3.35Å; D147-C151 PolarHBondContact O-N 3.13Å
148E46.3Very low56.6Low134 Ų134100.8 Ų100.863%0.62652%0.515SS*.Hα-helixtrans-71-47.3179.6-71.7-173.3154.600112.6T144 S150 C151 M152T144-E148 WeakPolarHBondContact O-CG 3.49Å; T144-E148 PolarHBondContact O-N 2.83Å; E148-S150 VanDerWaalsContact C-N 3.33Å; E148-S150 PolarHBondContact O-N 2.92Å; E148-C151 WeakPolarHBondContact O-CB 3.27Å; E148-C151 PolarHBondContact O-N 2.9Å; E148-M152 PolarHBondContact O-N 3.45Å
149S46Very low56.4Low71 Ų71100.5 Ų100.550%0.49751%0.514SS..Hα-helixtrans-57.7-46.2174.252.80000111.5E145 Q146 C151 M152 E153E145-S149 WeakPolarHBondContact O-CB 3.44Å; E145-S149 PolarHBondContact O-N 3.34Å; E145-S149 PolarHBondContact O-OG 2.94Å; Q146-S149 PolarHBondContact O-OG 3.5Å; S149-C151 VanDerWaalsContact C-N 3.25Å; S149-C151 PolarHBondContact O-N 2.93Å; S149-M152 PolarHBondContact O-N 2.92Å; S149-E153 VanDerWaalsContact O-CB 3.32Å; S149-E153 WeakPolarHBondContact O-CB 3.43Å; S149-E153 PolarHBondContact O-N 3.43Å
150S49.9Very low56Low33 Ų33102 Ų10223%0.23151%0.514CS..Hα-helixtrans-74.4-11.7177.7-153.50000113.4Q146 E148 K154Q146-S150 WeakPolarHBondContact O-CB 3.39Å; Q146-S150 PolarHBondContact O-N 3.27Å; E148-S150 VanDerWaalsContact C-N 3.33Å; E148-S150 PolarHBondContact O-N 2.92Å; S150-K154 VanDerWaalsContact O-CG 3.24Å; S150-K154 WeakPolarHBondContact O-CG 3.36Å; S150-K154 PolarHBondContact O-NZ 3.42Å; S150-K154 PolarHBondContact OG-NZ 3.38Å
151C43.5Very low55.5Low67 Ų67103.4 Ų103.445%0.45352%0.519SS..Hα-helixtrans-78.1-52.2169.4-168.80000110.5D147 E148 S149 E153 K154 L155D147-C151 VanDerWaalsContact O-CB 3.26Å; D147-C151 WeakPolarHBondContact O-CB 3.35Å; D147-C151 PolarHBondContact O-N 3.13Å; E148-C151 WeakPolarHBondContact O-CB 3.27Å; E148-C151 PolarHBondContact O-N 2.9Å; S149-C151 VanDerWaalsContact C-N 3.25Å; S149-C151 PolarHBondContact O-N 2.93Å; C151-E153 PolarHBondContact O-N 3.2Å; C151-K154 PolarHBondContact O-N 2.98Å; C151-K154 VanDerWaalsContact O-N 3.1Å; C151-L155 PolarHBondContact O-N 3.01Å
152M51.7Low56.4Low120 Ų120103.8 Ų103.859%0.59152%0.52SS*.Hα-helixtrans-59.4-44.2178.4-70.5-67.4-74.300112E148 S149 K154 L155 L156E148-M152 PolarHBondContact O-N 3.45Å; S149-M152 PolarHBondContact O-N 2.92Å; M152-K154 VanDerWaalsContact C-N 3.29Å; M152-K154 PolarHBondContact O-N 2.9Å; M152-L155 PolarHBondContact O-N 2.67Å; M152-L156 WeakPolarHBondContact O-CG 3.36Å; M152-L156 PolarHBondContact O-N 2.93Å
153E61.4Low56.4Low122 Ų122107.1 Ų107.157%0.5753%0.527SS*.Hα-helixtrans-57.3-39.8174.8-177-177-13700112.1S149 C151 S157S149-E153 VanDerWaalsContact O-CB 3.32Å; S149-E153 WeakPolarHBondContact O-CB 3.43Å; S149-E153 PolarHBondContact O-N 3.43Å; C151-E153 PolarHBondContact O-N 3.2Å; E153-S157 WeakPolarHBondContact O-CB 3.34Å; E153-S157 PolarHBondContact O-N 3.36Å; E153-S157 PolarHBondContact O-OG 3.44Å
154K63.8Low56.7Low121 Ų121105.7 Ų105.753%0.52652%0.524SS..Hα-helixtrans-76.2-30.8179.6-74.1-176.5-157.879.30113.9S150 C151 M152 K158S150-K154 VanDerWaalsContact O-CG 3.24Å; S150-K154 WeakPolarHBondContact O-CG 3.36Å; S150-K154 PolarHBondContact O-NZ 3.42Å; S150-K154 PolarHBondContact OG-NZ 3.38Å; C151-K154 PolarHBondContact O-N 2.98Å; C151-K154 VanDerWaalsContact O-N 3.1Å; M152-K154 VanDerWaalsContact C-N 3.29Å; M152-K154 PolarHBondContact O-N 2.9Å; K154-K158 PolarHBondContact O-N 3.28Å
155L60.4Low57.6Low93 Ų93107.6 Ų107.649%0.48753%0.531SS..Hα-helixtrans-64.2-58.7171-105.767.3000109.4C151 M152 S157 K158 D159C151-L155 PolarHBondContact O-N 3.01Å; M152-L155 PolarHBondContact O-N 2.67Å; L155-S157 VanDerWaalsContact C-N 3.28Å; L155-S157 PolarHBondContact O-N 3.09Å; L155-K158 PolarHBondContact O-N 2.99Å; L155-D159 PolarHBondContact O-N 3.27Å
156L61Low58.1Low116 Ų116112.2 Ų112.261%0.60755%0.545SS*.Hα-helixtrans-57.3-41.4-179.9-64.3171.2000111.8M152 K158 W160M152-L156 WeakPolarHBondContact O-CG 3.36Å; M152-L156 PolarHBondContact O-N 2.93Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 3.26Å; L156-W160 WeakPolarHBondContact O-CB 3.33Å; L156-W160 PolarHBondContact O-N 2.92Å
157S65.2Low58.5Low65 Ų65110 Ų11046%0.45554%0.537SS..Hα-helixtrans-64.9-27176.6-64.40000114.1E153 L155 K161E153-S157 WeakPolarHBondContact O-CB 3.34Å; E153-S157 PolarHBondContact O-N 3.36Å; E153-S157 PolarHBondContact O-OG 3.44Å; L155-S157 VanDerWaalsContact C-N 3.28Å; L155-S157 PolarHBondContact O-N 3.09Å; S157-K161 VanDerWaalsContact O-CB 3.26Å; S157-K161 WeakPolarHBondContact O-CB 3.5Å
158K70.1Confident58.7Low158 Ų158110.8 Ų110.869%0.68754%0.541SS*.Hα-helixtrans-82.4-53.6174.4-91.6-169.4164.6-161.50111.4K154 L155 L156 W160 K161 E162K154-K158 PolarHBondContact O-N 3.28Å; L155-K158 PolarHBondContact O-N 2.99Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 3.26Å; K158-W160 PolarHBondContact O-N 2.92Å; K158-K161 PolarHBondContact O-N 2.95Å; K158-K161 VanDerWaalsContact O-N 3.11Å; K158-E162 PolarHBondContact O-N 2.97Å
159D64.4Low59.1Low100 Ų100108.8 Ų108.854%0.53554%0.538SS..Hα-helixtrans-66.7-38.4-170.7-60.3-27.3000111.3L155 K163L155-D159 PolarHBondContact O-N 3.27Å; D159-K163 WeakPolarHBondContact O-CB 3.42Å; D159-K163 PolarHBondContact O-N 3.32Å; D159-K163 VanDerWaalsContact O-N 3.1Å
160W62.3Low59.5Low157 Ų157110.5 Ų110.560%0.59555%0.55SS**Hα-helixtrans-67.9-39.4173.3109.4-78.9000111.6L156 K158 K163 M164L156-W160 WeakPolarHBondContact O-CB 3.33Å; L156-W160 PolarHBondContact O-N 2.92Å; K158-W160 PolarHBondContact O-N 2.92Å; W160-K163 CarbonylContact O-C 3.6Å; W160-K163 PolarHBondContact O-N 3.11Å; W160-M164 HydrophobicContact CE3-SD 4.33Å; W160-M164 HydrophobicContact CH2-CE 3.85Å; W160-M164 HydrophobicContact CH2-SD 4.3Å; W160-M164 HydrophobicContact CZ3-CE 3.74Å; W160-M164 HydrophobicContact CZ3-CG 4.34Å; W160-M164 HydrophobicContact CZ3-SD 3.69Å; W160-M164 WeakPolarHBondContact O-CB 3.5Å; W160-M164 PolarHBondContact O-N 3.2Å
161K60.8Low59.7Low118 Ų118115.2 Ų115.251%0.51357%0.569SS.*Hα-helixtrans-68.6-46.3-178-178.4175.4177.6-179.20111S157 K158 K163 M164 D165S157-K161 VanDerWaalsContact O-CB 3.26Å; S157-K161 WeakPolarHBondContact O-CB 3.5Å; K158-K161 PolarHBondContact O-N 2.95Å; K158-K161 VanDerWaalsContact O-N 3.11Å; K161-K163 PolarHBondContact O-N 3.4Å; K161-M164 WeakPolarHBondContact O-CB 3.41Å; K161-M164 PolarHBondContact O-N 2.96Å; K161-M164 VanDerWaalsContact O-N 3.09Å; K161-D165 WeakPolarHBondContact CE-OD2 3.45Å; K161-D165 WeakPolarHBondContact O-CB 3.46Å; K161-D165 PolarHBondContact O-N 3.45Å
162E69.6Low60.1Low105 Ų105117.5 Ų117.549%0.49158%0.576SS.*Hα-helixtrans-63.1-35.6176.3-161.4-172.1130.500111.1K158 M164 R166K158-E162 PolarHBondContact O-N 2.97Å; E162-M164 VanDerWaalsContact C-N 3.34Å; E162-R166 VanDerWaalsContact O-CB 3.3Å; E162-R166 WeakPolarHBondContact O-CB 3.46Å; E162-R166 VanDerWaalsContact O-CD 3.32Å; E162-R166 WeakPolarHBondContact O-CD 3.37Å; E162-R166 WeakPolarHBondContact O-CG 3.47Å; E162-R166 PolarHBondContact O-N 3.19Å; E162-R166 IonicContact OE1-CZ 2.65Å; E162-R166 VanDerWaalsContact OE1-CZ 3.22Å; E162-R166 IonicContact OE1-NE 3.48Å; E162-R166 PolarHBondContact OE1-NE 2.97Å; E162-R166 IonicContact OE1-NH2 3.83Å; E162-R166 PolarHBondContact OE1-NH2 2.98Å
163K62.7Low60.2Low151 Ų151118.4 Ų118.466%0.65758%0.582SS**Hα-helixtrans-69-29.9174-167.8172.9-176.3179.30113.2D159 W160 K161 L167D159-K163 WeakPolarHBondContact O-CB 3.42Å; D159-K163 PolarHBondContact O-N 3.32Å; D159-K163 VanDerWaalsContact O-N 3.1Å; W160-K163 CarbonylContact O-C 3.6Å; W160-K163 PolarHBondContact O-N 3.11Å; K161-K163 PolarHBondContact O-N 3.4Å; K163-L167 WeakPolarHBondContact O-CD1 3.22Å; K163-L167 WeakPolarHBondContact O-CG 3.46Å
164M60Low60Low90 Ų90116.8 Ų116.844%0.44359%0.59SS.*Hα-helixtrans-74.5-48173.7-164.280.2150.900111.2W160 K161 E162 R166 L167W160-M164 HydrophobicContact CE3-SD 4.33Å; W160-M164 HydrophobicContact CH2-CE 3.85Å; W160-M164 HydrophobicContact CH2-SD 4.3Å; W160-M164 HydrophobicContact CZ3-CE 3.74Å; W160-M164 HydrophobicContact CZ3-CG 4.34Å; W160-M164 HydrophobicContact CZ3-SD 3.69Å; W160-M164 WeakPolarHBondContact O-CB 3.5Å; W160-M164 PolarHBondContact O-N 3.2Å; K161-M164 WeakPolarHBondContact O-CB 3.41Å; K161-M164 PolarHBondContact O-N 2.96Å; K161-M164 VanDerWaalsContact O-N 3.09Å; E162-M164 VanDerWaalsContact C-N 3.34Å; M164-R166 PolarHBondContact O-N 3.29Å; M164-L167 PolarHBondContact O-N 3.02Å
165D65.4Low59.3Low116 Ų116119 Ų11962%0.6260%0.602SS**Hα-helixtrans-64.5-19.3177.3-66.2-20.6000111.9K161K161-D165 WeakPolarHBondContact CE-OD2 3.45Å; K161-D165 WeakPolarHBondContact O-CB 3.46Å; K161-D165 PolarHBondContact O-N 3.45Å
166R64.1Low59.1Low183 Ų183119 Ų11969%0.69161%0.605SS**THydrogen-bonded Turntrans-87.4-7.8171.6-74.4169.4-178.6-76.43.3114.5E162 M164E162-R166 VanDerWaalsContact O-CB 3.3Å; E162-R166 WeakPolarHBondContact O-CB 3.46Å; E162-R166 VanDerWaalsContact O-CD 3.32Å; E162-R166 WeakPolarHBondContact O-CD 3.37Å; E162-R166 WeakPolarHBondContact O-CG 3.47Å; E162-R166 PolarHBondContact O-N 3.19Å; E162-R166 IonicContact OE1-CZ 2.65Å; E162-R166 VanDerWaalsContact OE1-CZ 3.22Å; E162-R166 IonicContact OE1-NE 3.48Å; E162-R166 PolarHBondContact OE1-NE 2.97Å; E162-R166 IonicContact OE1-NH2 3.83Å; E162-R166 PolarHBondContact OE1-NH2 2.98Å; M164-R166 PolarHBondContact O-N 3.29Å
167L54.6Low58.7Low101 Ų101123.4 Ų123.453%0.52962%0.62SS.*SBendtrans-102.4103.5176.6-75166.5000109.2K163 M164 T169K163-L167 WeakPolarHBondContact O-CD1 3.22Å; K163-L167 WeakPolarHBondContact O-CG 3.46Å; M164-L167 PolarHBondContact O-N 3.02Å; L167-T169 VanDerWaalsContact C-N 3.32Å; L167-T169 PolarHBondContact O-N 3.46Å
168N49.2Very low58.5Low105 Ų105123.1 Ų123.156%0.56163%0.627SS**  trans-62.989.5173.9-91.1-14.7000110.8S170 E171 L172N168-S170 PolarHBondContact O-N 2.89Å; N168-E171 HydrophobicContact CB-CB 3.66Å; N168-E171 WeakPolarHBondContact CB-OE2 3.49Å; N168-E171 PolarHBondContact ND2-OE2 3.49Å; N168-E171 PolarHBondContact O-N 3.44Å; N168-L172 PolarHBondContact O-N 3.08Å
169T55.8Low57.9Low93 Ų93120.6 Ų120.657%0.57163%0.625SS**Hα-helixtrans-58.9-34.6177.852.10000112.1L167 E171 L173L167-T169 VanDerWaalsContact C-N 3.32Å; L167-T169 PolarHBondContact O-N 3.46Å; T169-E171 VanDerWaalsContact C-N 3.25Å; T169-E171 PolarHBondContact O-N 3.34Å; T169-L173 VanDerWaalsContact O-CB 3.3Å; T169-L173 WeakPolarHBondContact O-CB 3.35Å; T169-L173 WeakPolarHBondContact O-CG 3.46Å; T169-L173 PolarHBondContact O-N 2.99Å; T169-L173 VanDerWaalsContact O-N 3.07Å
170S54.4Low57.8Low106 Ų106121 Ų12174%0.74163%0.633SS**Hα-helixtrans-68.6-18.4175.7-170.80000114.4N168N168-S170 PolarHBondContact O-N 2.89Å
171E53.6Low57.7Low132 Ų132121.5 Ų121.562%0.61764%0.642SS**Hα-helixtrans-96.1-44.1-179.8-165.5165.6-157.800109.4N168 T169 L173 A174N168-E171 HydrophobicContact CB-CB 3.66Å; N168-E171 WeakPolarHBondContact CB-OE2 3.49Å; N168-E171 PolarHBondContact ND2-OE2 3.49Å; N168-E171 PolarHBondContact O-N 3.44Å; T169-E171 VanDerWaalsContact C-N 3.25Å; T169-E171 PolarHBondContact O-N 3.34Å; E171-L173 PolarHBondContact O-N 3.09Å; E171-A174 WeakPolarHBondContact O-CB 3.24Å; E171-A174 PolarHBondContact O-N 2.89Å
172L52.3Low58.6Low116 Ų116117.3 Ų117.361%0.60763%0.633SS**Hα-helixtrans-63.8-36.7176.3-139.8100000113N168 A174 E175N168-L172 PolarHBondContact O-N 3.08Å; L172-A174 PolarHBondContact O-N 3.24Å; L172-E175 PolarHBondContact O-N 3.12Å
173L53.6Low59.2Low138 Ų138116.6 Ų116.672%0.72363%0.632SS**THydrogen-bonded Turntrans-66.7-20.3178-84.9167.1000113.8T169 E171 E175T169-L173 VanDerWaalsContact O-CB 3.3Å; T169-L173 WeakPolarHBondContact O-CB 3.35Å; T169-L173 WeakPolarHBondContact O-CG 3.46Å; T169-L173 PolarHBondContact O-N 2.99Å; T169-L173 VanDerWaalsContact O-N 3.07Å; E171-L173 PolarHBondContact O-N 3.09Å; L173-E175 VanDerWaalsContact C-N 3.33Å
174A55.8Low60.1Low88 Ų88112 Ų11273%0.72762%0.621SS**THydrogen-bonded Turntrans-77.1-20.3178.800000113.1E171 L172E171-A174 WeakPolarHBondContact O-CB 3.24Å; E171-A174 PolarHBondContact O-N 2.89Å; L172-A174 PolarHBondContact O-N 3.24Å
175E50.4Low61.2Low169 Ų169114.2 Ų114.279%0.7963%0.631SS**THydrogen-bonded Turntrans-101.6-14.4-170.7-155.4170.2-140.700113.8L172 L173 K177L172-E175 PolarHBondContact O-N 3.12Å; L173-E175 VanDerWaalsContact C-N 3.33Å; E175-K177 VanDerWaalsContact C-N 3.26Å; E175-K177 PolarHBondContact O-N 2.84Å
176V54.8Low62.3Low91 Ų91114.4 Ų114.455%0.55263%0.626SS**  trans-77.170.3-178.4-172.30000111.9G178 L183V176-G178 PolarHBondContact O-N 3.48Å; V176-L183 HydrophobicContact CG1-CD1 4.38Å
177K54Low63.4Low210 Ų210111.1 Ų111.191%0.91362%0.619SS**  trans-82.152.6171.6-160.9176.4-178.6176.90112E175E175-K177 VanDerWaalsContact C-N 3.26Å; E175-K177 PolarHBondContact O-N 2.84Å
178G60.2Low65.2Low59 Ų59112.7 Ų112.761%0.60862%0.623SS**  trans-84.4163.9175.600000113.2V176V176-G178 PolarHBondContact O-N 3.48Å
179T58.6Low67.4Low104 Ų104112.4 Ų112.464%0.63862%0.618SS**  trans-72.6139.3167.442.80000110.2E181 G182 L183T179-E181 PolarHBondContact O-N 2.94Å; T179-G182 PolarHBondContact O-N 3.43Å; T179-G182 VanDerWaalsContact O-N 3.14Å; T179-L183 PolarHBondContact O-N 3.44Å
180P62.2Low69.3Low109 Ų109113 Ų11371%0.70862%0.617SS**Hα-helixtrans-64.3-36.8-169.523.3-33.5000113.5G182 L183 A184P180-G182 VanDerWaalsContact C-N 3.32Å; P180-G182 PolarHBondContact O-N 2.96Å; P180-L183 WeakPolarHBondContact O-CB 3.35Å; P180-L183 PolarHBondContact O-N 3.35Å; P180-A184 PolarHBondContact O-N 3.44Å
181E59.8Low71Confident167 Ų167110.9 Ų110.978%0.7860%0.602SS**Hα-helixtrans-62.6-38.8176.2-62.9176.6136.400112T179 L183 A184 E185T179-E181 PolarHBondContact O-N 2.94Å; E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 2.86Å; E181-A184 PolarHBondContact O-N 3.21Å; E181-E185 PolarHBondContact O-N 2.93Å
182G79.6Confident73Confident31 Ų31107.4 Ų107.432%0.3259%0.591SS.*Hα-helixtrans-70.1-21.717800000113.8T179 P180 K186T179-G182 PolarHBondContact O-N 3.43Å; T179-G182 VanDerWaalsContact O-N 3.14Å; P180-G182 VanDerWaalsContact C-N 3.32Å; P180-G182 PolarHBondContact O-N 2.96Å; G182-K186 WeakPolarHBondContact O-CG 3.44Å
183L81.8Confident75.1Confident90 Ų90106.9 Ų106.947%0.47159%0.586SS.*Hα-helixtrans-74.8-50.6169.3-166.783.8000110.3V176 T179 P180 E181 E185 K186 E187V176-L183 HydrophobicContact CG1-CD1 4.38Å; T179-L183 PolarHBondContact O-N 3.44Å; P180-L183 WeakPolarHBondContact O-CB 3.35Å; P180-L183 PolarHBondContact O-N 3.35Å; E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 2.86Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-E185 PolarHBondContact O-N 2.99Å; L183-K186 CarbonylContact O-C 3.58Å; L183-K186 WeakPolarHBondContact O-CA 3.2Å; L183-K186 WeakPolarHBondContact O-CB 3.4Å; L183-K186 PolarHBondContact O-N 3.3Å; L183-E187 PolarHBondContact O-N 3.46Å
184A81.3Confident77Confident53 Ų53104.2 Ų104.244%0.43857%0.572SS.*Hα-helixtrans-61.1-39-178.100000112.7P180 E181 K186 E187 H188P180-A184 PolarHBondContact O-N 3.44Å; E181-A184 PolarHBondContact O-N 3.21Å; A184-K186 VanDerWaalsContact C-N 3.29Å; A184-K186 PolarHBondContact O-N 3.37Å; A184-E187 PolarHBondContact O-N 3.42Å; A184-H188 WeakPolarHBondContact O-CB 3.5Å; A184-H188 PolarHBondContact O-N 3.12Å
185E84.8Confident78.9Confident137 Ų137104.1 Ų104.164%0.6456%0.562SS**Hα-helixtrans-63.4-35.4173.6-170.3-177.8-144.200111.8E181 L183 Q189E181-E185 PolarHBondContact O-N 2.93Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-E185 PolarHBondContact O-N 2.99Å; E185-Q189 VanDerWaalsContact O-CB 3.31Å; E185-Q189 WeakPolarHBondContact O-CB 3.35Å; E185-Q189 PolarHBondContact O-N 3.01Å
186K86.9Confident81.1Confident120 Ų120102 Ų10252%0.52255%0.552SS.*Hα-helixtrans-72.8-37.5175.8-68.4-72.1155-162.10112.5G182 L183 A184 Q189 L190G182-K186 WeakPolarHBondContact O-CG 3.44Å; L183-K186 CarbonylContact O-C 3.58Å; L183-K186 WeakPolarHBondContact O-CA 3.2Å; L183-K186 WeakPolarHBondContact O-CB 3.4Å; L183-K186 PolarHBondContact O-N 3.3Å; A184-K186 VanDerWaalsContact C-N 3.29Å; A184-K186 PolarHBondContact O-N 3.37Å; K186-Q189 PolarHBondContact O-N 2.89Å; K186-L190 VanDerWaalsContact O-CB 3.29Å; K186-L190 WeakPolarHBondContact O-CB 3.37Å; K186-L190 PolarHBondContact O-N 2.96Å
187E88.3Confident83.1Confident115 Ų115102.9 Ų102.954%0.53755%0.554SS.*Hα-helixtrans-64.7-39.7172.3-68.7-179145.200111.6L183 A184 S191L183-E187 PolarHBondContact O-N 3.46Å; A184-E187 PolarHBondContact O-N 3.42Å; E187-S191 WeakPolarHBondContact O-CB 3.16Å; E187-S191 PolarHBondContact O-N 3.37Å; E187-S191 PolarHBondContact O-OG 2.88Å
188H92.2Very high84.9Confident134 Ų13496.8 Ų96.862%0.6253%0.53SS*.Hα-helixtrans-64.6-48.5173.3-170.380.2000111.6A184 L190 S191 T192A184-H188 WeakPolarHBondContact O-CB 3.5Å; A184-H188 PolarHBondContact O-N 3.12Å; H188-L190 VanDerWaalsContact C-N 3.33Å; H188-L190 PolarHBondContact O-N 3.27Å; H188-S191 WeakPolarHBondContact O-CB 3.22Å; H188-S191 PolarHBondContact O-N 2.89Å; H188-S191 VanDerWaalsContact O-N 3.1Å; H188-T192 PolarHBondContact O-N 3.3Å; H188-T192 PolarHBondContact O-OG1 3.42Å
189Q95Very high86.6Confident98 Ų9897 Ų9746%0.45852%0.522SS..Hα-helixtrans-58.7-42176.4-178.6166.85400112.3E185 K186 T192 M193E185-Q189 VanDerWaalsContact O-CB 3.31Å; E185-Q189 WeakPolarHBondContact O-CB 3.35Å; E185-Q189 PolarHBondContact O-N 3.01Å; K186-Q189 PolarHBondContact O-N 2.89Å; Q189-T192 PolarHBondContact O-N 3.39Å; Q189-M193 WeakPolarHBondContact O-CG 3.43Å; Q189-M193 PolarHBondContact O-N 2.97Å
190L95.1Very high88.5Confident105 Ų10596.2 Ų96.255%0.5551%0.513SS..Hα-helixtrans-61.9-45.2173.8-170.291.2000111.2K186 H188 T192 M193 I194K186-L190 VanDerWaalsContact O-CB 3.29Å; K186-L190 WeakPolarHBondContact O-CB 3.37Å; K186-L190 PolarHBondContact O-N 2.96Å; H188-L190 VanDerWaalsContact C-N 3.33Å; H188-L190 PolarHBondContact O-N 3.27Å; L190-T192 VanDerWaalsContact C-N 3.35Å; L190-T192 PolarHBondContact O-N 2.93Å; L190-M193 PolarHBondContact O-N 3.48Å; L190-I194 HydrophobicContact CD2-CD1 3.91Å; L190-I194 HydrophobicContact CG-CD1 3.91Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 3.01Å
191S91.5Very high90.1Very high62 Ų6298.5 Ų98.543%0.43451%0.508SS..Hα-helixtrans-63-39.3179.2-59.10000112.2E187 H188 I194 T195E187-S191 WeakPolarHBondContact O-CB 3.16Å; E187-S191 PolarHBondContact O-N 3.37Å; E187-S191 PolarHBondContact O-OG 2.88Å; H188-S191 WeakPolarHBondContact O-CB 3.22Å; H188-S191 PolarHBondContact O-N 2.89Å; H188-S191 VanDerWaalsContact O-N 3.1Å; S191-I194 PolarHBondContact O-N 3.29Å; S191-T195 WeakPolarHBondContact O-CB 3.5Å; S191-T195 PolarHBondContact O-N 2.88Å; S191-T195 PolarHBondContact O-OG1 2.95Å
192T94.6Very high91.8Very high60 Ų6095.9 Ų95.937%0.36850%0.496SS..Hα-helixtrans-62.3-46.9172-49.20000111.3H188 Q189 L190 I194 T195 Q196H188-T192 PolarHBondContact O-N 3.3Å; H188-T192 PolarHBondContact O-OG1 3.42Å; Q189-T192 PolarHBondContact O-N 3.39Å; L190-T192 VanDerWaalsContact C-N 3.35Å; L190-T192 PolarHBondContact O-N 2.93Å; T192-I194 PolarHBondContact O-N 3.23Å; T192-T195 PolarHBondContact O-N 3.39Å; T192-Q196 WeakPolarHBondContact O-CG 3.45Å; T192-Q196 PolarHBondContact O-N 3.27Å
193M95.8Very high92.6Very high105 Ų105101 Ų10152%0.51751%0.511SS..Hα-helixtrans-63.1-41.2177.5-75-177.762.700112.7Q189 L190 T195 Q196 L197Q189-M193 WeakPolarHBondContact O-CG 3.43Å; Q189-M193 PolarHBondContact O-N 2.97Å; L190-M193 PolarHBondContact O-N 3.48Å; M193-T195 VanDerWaalsContact C-N 3.33Å; M193-T195 PolarHBondContact O-N 3.25Å; M193-Q196 PolarHBondContact O-N 3.03Å; M193-L197 WeakPolarHBondContact O-CB 3.33Å; M193-L197 VanDerWaalsContact O-CG 3.27Å; M193-L197 WeakPolarHBondContact O-CG 3.4Å; M193-L197 PolarHBondContact O-N 3.4Å
194I94.4Very high93.3Very high81 Ų81102.2 Ų102.242%0.41552%0.518SS..Hα-helixtrans-59.9-46.1174.9-72.1164.9000110L190 S191 T192 Q196 L197 I198L190-I194 HydrophobicContact CD2-CD1 3.91Å; L190-I194 HydrophobicContact CG-CD1 3.91Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 3.01Å; S191-I194 PolarHBondContact O-N 3.29Å; T192-I194 PolarHBondContact O-N 3.23Å; I194-Q196 PolarHBondContact O-N 2.95Å; I194-L197 PolarHBondContact O-N 3.49Å; I194-I198 HydrophobicContact CG2-CD1 3.82Å; I194-I198 VanDerWaalsContact O-CG1 3.32Å; I194-I198 WeakPolarHBondContact O-CG1 3.48Å; I194-I198 PolarHBondContact O-N 3.37Å
195T95.2Very high93.9Very high86 Ų86103.7 Ų103.753%0.52852%0.518SS..Hα-helixtrans-60.9-46.3178.3-540000111.4S191 T192 M193 L197 I198 S199S191-T195 WeakPolarHBondContact O-CB 3.5Å; S191-T195 PolarHBondContact O-N 2.88Å; S191-T195 PolarHBondContact O-OG1 2.95Å; T192-T195 PolarHBondContact O-N 3.39Å; M193-T195 VanDerWaalsContact C-N 3.33Å; M193-T195 PolarHBondContact O-N 3.25Å; T195-L197 VanDerWaalsContact C-N 3.35Å; T195-L197 PolarHBondContact O-N 2.83Å; T195-I198 PolarHBondContact O-N 3.41Å; T195-S199 PolarHBondContact O-N 3.28Å; T195-S199 PolarHBondContact O-OG 3.42Å
196Q96.8Very high94.4Very high125 Ų12599.9 Ų99.958%0.58451%0.509SS*.Hα-helixtrans-61-40.1176.2-72.2173.7-12.100112.7T192 M193 I194 S199 L200T192-Q196 WeakPolarHBondContact O-CG 3.45Å; T192-Q196 PolarHBondContact O-N 3.27Å; M193-Q196 PolarHBondContact O-N 3.03Å; I194-Q196 PolarHBondContact O-N 2.95Å; Q196-S199 PolarHBondContact O-N 3.06Å; Q196-L200 WeakPolarHBondContact O-CB 3.31Å; Q196-L200 PolarHBondContact O-N 3.43Å
197L96.6Very high94.7Very high110 Ų11097 Ų9758%0.57651%0.508SS*.Hα-helixtrans-68.9-33.8176.9-72.4168.8000112.5M193 I194 T195 R201M193-L197 WeakPolarHBondContact O-CB 3.33Å; M193-L197 VanDerWaalsContact O-CG 3.27Å; M193-L197 WeakPolarHBondContact O-CG 3.4Å; M193-L197 PolarHBondContact O-N 3.4Å; I194-L197 PolarHBondContact O-N 3.49Å; T195-L197 VanDerWaalsContact C-N 3.35Å; T195-L197 PolarHBondContact O-N 2.83Å; L197-R201 VanDerWaalsContact O-CB 3.3Å; L197-R201 WeakPolarHBondContact O-CB 3.41Å; L197-R201 PolarHBondContact O-N 3.21Å
198I93.4Very high95Very high82 Ų8296.4 Ų96.442%0.42151%0.505SS..Hα-helixtrans-64.6-51.4172.3-69.6164.5000109.9I194 T195 L200 R201 E202I194-I198 HydrophobicContact CG2-CD1 3.82Å; I194-I198 VanDerWaalsContact O-CG1 3.32Å; I194-I198 WeakPolarHBondContact O-CG1 3.48Å; I194-I198 PolarHBondContact O-N 3.37Å; T195-I198 PolarHBondContact O-N 3.41Å; I198-L200 VanDerWaalsContact C-N 3.32Å; I198-L200 PolarHBondContact O-N 2.67Å; I198-R201 WeakPolarHBondContact O-CB 3.15Å; I198-R201 PolarHBondContact O-N 3.19Å; I198-R201 VanDerWaalsContact O-N 3.11Å; I198-E202 HydrophobicContact CG2-CG 4.49Å; I198-E202 WeakPolarHBondContact O-CG 3.49Å; I198-E202 PolarHBondContact O-N 2.97Å
199S96Very high95Very high62 Ų6294.5 Ų94.543%0.43450%0.499SS..Hα-helixtrans-60.1-40.2178.9-55.70000112.7T195 Q196 E202 Q203T195-S199 PolarHBondContact O-N 3.28Å; T195-S199 PolarHBondContact O-OG 3.42Å; Q196-S199 PolarHBondContact O-N 3.06Å; S199-E202 PolarHBondContact O-N 3.47Å; S199-Q203 WeakPolarHBondContact O-CB 3.32Å; S199-Q203 PolarHBondContact O-N 2.87Å
200L97.4Very high95Very high88 Ų8895 Ų9546%0.46150%0.502SS..Hα-helixtrans-65-40.7175.1-178.961.4000112Q196 I198 Q203 L204Q196-L200 WeakPolarHBondContact O-CB 3.31Å; Q196-L200 PolarHBondContact O-N 3.43Å; I198-L200 VanDerWaalsContact C-N 3.32Å; I198-L200 PolarHBondContact O-N 2.67Å; L200-Q203 PolarHBondContact O-N 2.95Å; L200-L204 HydrophobicContact CD1-CD1 4.45Å; L200-L204 HydrophobicContact CG-CD1 4.24Å; L200-L204 WeakPolarHBondContact O-CB 3.25Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.23Å; L200-L204 PolarHBondContact O-N 3.25Å
201R96.7Very high95Very high157 Ų15796.4 Ų96.459%0.59251%0.506SS*.Hα-helixtrans-62.2-43.6174.9177.3-177.6175.3-82.2-0.8111.5L197 I198 L204 L205L197-R201 VanDerWaalsContact O-CB 3.3Å; L197-R201 WeakPolarHBondContact O-CB 3.41Å; L197-R201 PolarHBondContact O-N 3.21Å; I198-R201 WeakPolarHBondContact O-CB 3.15Å; I198-R201 PolarHBondContact O-N 3.19Å; I198-R201 VanDerWaalsContact O-N 3.11Å; R201-L204 PolarHBondContact O-N 3.13Å; R201-L205 HydrophobicContact CG-CD1 4.13Å; R201-L205 VanDerWaalsContact O-CG 3.3Å; R201-L205 WeakPolarHBondContact O-CG 3.45Å; R201-L205 PolarHBondContact O-N 2.94Å
202E94.7Very high95Very high112 Ų11297.6 Ų97.652%0.52350%0.503SS..Hα-helixtrans-65.9-41.4178.2-71.1175.9160.800111.9I198 S199 L204 L205 A206I198-E202 HydrophobicContact CG2-CG 4.49Å; I198-E202 WeakPolarHBondContact O-CG 3.49Å; I198-E202 PolarHBondContact O-N 2.97Å; S199-E202 PolarHBondContact O-N 3.47Å; E202-L204 PolarHBondContact O-N 2.94Å; E202-L205 PolarHBondContact O-N 2.89Å; E202-A206 WeakPolarHBondContact O-CB 3.29Å; E202-A206 PolarHBondContact O-N 3.03Å
203Q96.6Very high95Very high139 Ų139101.1 Ų101.165%0.6551%0.513SS*.Hα-helixtrans-62.6-40.7174.8-170176.913.500112.4S199 L200 A206 A207S199-Q203 WeakPolarHBondContact O-CB 3.32Å; S199-Q203 PolarHBondContact O-N 2.87Å; L200-Q203 PolarHBondContact O-N 2.95Å; Q203-A206 PolarHBondContact O-N 3.09Å; Q203-A207 WeakPolarHBondContact O-CB 3.48Å; Q203-A207 PolarHBondContact O-N 2.97Å
204L96Very high95Very high116 Ų116101.6 Ų101.661%0.60752%0.517SS*.Hα-helixtrans-66.8-39.3175.6-73.6169.2000112.4L200 R201 E202 H208L200-L204 HydrophobicContact CD1-CD1 4.45Å; L200-L204 HydrophobicContact CG-CD1 4.24Å; L200-L204 WeakPolarHBondContact O-CB 3.25Å; L200-L204 VanDerWaalsContact O-CG 3.31Å; L200-L204 WeakPolarHBondContact O-CG 3.23Å; L200-L204 PolarHBondContact O-N 3.25Å; R201-L204 PolarHBondContact O-N 3.13Å; E202-L204 PolarHBondContact O-N 2.94Å; L204-H208 PolarHBondContact O-N 3.46Å; L204-H208 VanDerWaalsContact O-N 3.08Å
205L93.6Very high94.9Very high84 Ų84100.2 Ų100.244%0.4452%0.518SS..Hα-helixtrans-64.4-45.6174.5-73168.4000111.4R201 E202 A207 H208 D209R201-L205 HydrophobicContact CG-CD1 4.13Å; R201-L205 VanDerWaalsContact O-CG 3.3Å; R201-L205 WeakPolarHBondContact O-CG 3.45Å; R201-L205 PolarHBondContact O-N 2.94Å; E202-L205 PolarHBondContact O-N 2.89Å; L205-A207 PolarHBondContact O-N 3.33Å; L205-H208 PolarHBondContact O-N 2.95Å; L205-D209 PolarHBondContact O-N 3.4Å
206A95.1Very high94.8Very high56 Ų5699 Ų9946%0.46352%0.517SS..Hα-helixtrans-60.8-42177.100000112.4E202 Q203 H208 D209 E210E202-A206 WeakPolarHBondContact O-CB 3.29Å; E202-A206 PolarHBondContact O-N 3.03Å; Q203-A206 PolarHBondContact O-N 3.09Å; A206-H208 VanDerWaalsContact C-N 3.34Å; A206-H208 PolarHBondContact O-N 3.35Å; A206-D209 PolarHBondContact O-N 3.4Å; A206-E210 WeakPolarHBondContact O-CG 3.37Å; A206-E210 PolarHBondContact O-N 3.39Å
207A94.4Very high94.7Very high59 Ų5996.8 Ų96.849%0.48852%0.515SS..Hα-helixtrans-63.5-38175.600000112.6Q203 L205 Q211Q203-A207 WeakPolarHBondContact O-CB 3.48Å; Q203-A207 PolarHBondContact O-N 2.97Å; L205-A207 PolarHBondContact O-N 3.33Å; A207-Q211 PolarHBondContact O-N 3.46Å
208H93.6Very high94.6Very high103 Ų10398.4 Ų98.448%0.47752%0.519SS..Hα-helixtrans-68.8-40.9175.6-175-95.5000112.3L204 L205 A206 Q211 K212L204-H208 PolarHBondContact O-N 3.46Å; L204-H208 VanDerWaalsContact O-N 3.08Å; L205-H208 PolarHBondContact O-N 2.95Å; A206-H208 VanDerWaalsContact C-N 3.34Å; A206-H208 PolarHBondContact O-N 3.35Å; H208-Q211 WeakPolarHBondContact O-CB 3.33Å; H208-Q211 PolarHBondContact O-N 2.94Å; H208-K212 WeakPolarHBondContact O-CB 3.45Å; H208-K212 PolarHBondContact O-N 3.37Å
209D93.1Very high94.5Very high94 Ų94100.1 Ų100.150%0.50353%0.527SS..Hα-helixtrans-66.3-34.9175-87-22.9000112.6L205 A206 K212 K213L205-D209 PolarHBondContact O-N 3.4Å; A206-D209 PolarHBondContact O-N 3.4Å; D209-K212 PolarHBondContact O-N 3.44Å; D209-K213 WeakPolarHBondContact O-CB 3.5Å; D209-K213 PolarHBondContact O-N 3.01Å
210E95.6Very high94.4Very high108 Ų108100.3 Ų100.351%0.50552%0.521SS..Hα-helixtrans-62.9-45169.6-76.3-103.2104.400111.7A206 K212 K213 L214A206-E210 WeakPolarHBondContact O-CG 3.37Å; A206-E210 PolarHBondContact O-N 3.39Å; E210-K212 VanDerWaalsContact C-N 3.35Å; E210-K212 PolarHBondContact O-N 3.01Å; E210-K213 WeakPolarHBondContact O-CB 3.4Å; E210-K213 PolarHBondContact O-N 2.96Å; E210-K213 IonicContact OE1-NZ 3.52Å; E210-K213 PolarHBondContact OE1-NZ 3Å; E210-L214 WeakPolarHBondContact O-CG 3.32Å; E210-L214 PolarHBondContact O-N 2.74Å
211Q93.3Very high94.4Very high136 Ų136103.5 Ų103.564%0.63653%0.531SS*.Hα-helixtrans-60.7-43175.4-173.5179.24.500111.8A207 H208 L214 A215A207-Q211 PolarHBondContact O-N 3.46Å; H208-Q211 WeakPolarHBondContact O-CB 3.33Å; H208-Q211 PolarHBondContact O-N 2.94Å; Q211-L214 PolarHBondContact O-N 3.21Å; Q211-A215 PolarHBondContact O-N 3.05Å
212K92.2Very high94.3Very high86 Ų86101.2 Ų101.237%0.37453%0.528SS..Hα-helixtrans-62.9-41.9175.6-179.2179.3178175.50112.4E145 H208 D209 E210 A215 A216E145-K212 WeakPolarHBondContact OE1-CE 3.5Å; E145-K212 IonicContact OE1-NZ 3.22Å; E145-K212 PolarHBondContact OE1-NZ 2.95Å; E145-K212 WeakPolarHBondContact OE2-CE 3.42Å; E145-K212 IonicContact OE2-NZ 2.9Å; E145-K212 PolarHBondContact OE2-NZ 3.36Å; H208-K212 WeakPolarHBondContact O-CB 3.45Å; H208-K212 PolarHBondContact O-N 3.37Å; D209-K212 PolarHBondContact O-N 3.44Å; E210-K212 VanDerWaalsContact C-N 3.35Å; E210-K212 PolarHBondContact O-N 3.01Å; K212-A215 PolarHBondContact O-N 3.47Å; K212-A216 WeakPolarHBondContact O-CB 3.49Å; K212-A216 PolarHBondContact O-N 2.89Å
213K94.4Very high94.3Very high135 Ų135103.5 Ų103.559%0.58753%0.531SS*.Hα-helixtrans-65-38.6175.3177-179.1164.8-157.90112.1D209 E210 S217D209-K213 WeakPolarHBondContact O-CB 3.5Å; D209-K213 PolarHBondContact O-N 3.01Å; E210-K213 WeakPolarHBondContact O-CB 3.4Å; E210-K213 PolarHBondContact O-N 2.96Å; E210-K213 IonicContact OE1-NZ 3.52Å; E210-K213 PolarHBondContact OE1-NZ 3Å; K213-S217 WeakPolarHBondContact O-CB 3.4Å; K213-S217 PolarHBondContact O-N 2.87Å
214L95.3Very high94.3Very high114 Ų114102.2 Ų102.260%0.59753%0.525SS*.Hα-helixtrans-64.8-44.9171.8-71.4170.2000111.8E210 Q211 S217 Q218E210-L214 WeakPolarHBondContact O-CG 3.32Å; E210-L214 PolarHBondContact O-N 2.74Å; Q211-L214 PolarHBondContact O-N 3.21Å; L214-S217 WeakPolarHBondContact O-CB 3.47Å; L214-S217 PolarHBondContact O-N 3.49Å; L214-Q218 WeakPolarHBondContact O-CG 3.38Å; L214-Q218 PolarHBondContact O-N 3.32Å
215A92.9Very high94.3Very high52 Ų52103.6 Ų103.643%0.4353%0.528SS..Hα-helixtrans-62.4-43.6175.700000112.2Q211 K212 S217 Q218 M219Q211-A215 PolarHBondContact O-N 3.05Å; K212-A215 PolarHBondContact O-N 3.47Å; A215-S217 VanDerWaalsContact C-N 3.33Å; A215-S217 PolarHBondContact O-N 3.18Å; A215-Q218 PolarHBondContact O-N 2.69Å; A215-M219 WeakPolarHBondContact O-CG 3.25Å; A215-M219 PolarHBondContact O-N 3.43Å
216A92.3Very high94.3Very high61 Ų61105.9 Ų105.950%0.50454%0.539SS..Hα-helixtrans-61-39.9174.700000112.3K212 M219 E220K212-A216 WeakPolarHBondContact O-CB 3.49Å; K212-A216 PolarHBondContact O-N 2.89Å; A216-M219 PolarHBondContact O-N 2.86Å; A216-E220 WeakPolarHBondContact O-CB 3.5Å; A216-E220 PolarHBondContact O-N 2.85Å
217S96.2Very high94.3Very high78 Ų78106.7 Ų106.755%0.54553%0.533SS..Hα-helixtrans-62.8-40.7175.1-174.80000112.6K213 L214 A215 E220 K221K213-S217 WeakPolarHBondContact O-CB 3.4Å; K213-S217 PolarHBondContact O-N 2.87Å; L214-S217 WeakPolarHBondContact O-CB 3.47Å; L214-S217 PolarHBondContact O-N 3.49Å; A215-S217 VanDerWaalsContact C-N 3.33Å; A215-S217 PolarHBondContact O-N 3.18Å; S217-E220 PolarHBondContact O-N 3.25Å; S217-K221 WeakPolarHBondContact O-CB 3.45Å; S217-K221 PolarHBondContact O-N 3.08Å
218Q93.1Very high94.5Very high144 Ų144109.6 Ų109.667%0.67354%0.539SS*.Hα-helixtrans-63.7-44.9174-67.7-178.322.400112L214 A215 E220 K221 Q222L214-Q218 WeakPolarHBondContact O-CG 3.38Å; L214-Q218 PolarHBondContact O-N 3.32Å; A215-Q218 PolarHBondContact O-N 2.69Å; Q218-E220 VanDerWaalsContact C-N 3.35Å; Q218-E220 PolarHBondContact O-N 2.85Å; Q218-K221 PolarHBondContact O-N 3.26Å; Q218-Q222 PolarHBondContact O-N 3.29Å
219M91.6Very high94.6Very high119 Ų119107.2 Ų107.259%0.58654%0.538SS*.Hα-helixtrans-62.5-39.7176.9-70.4-64.5-68.500112.2A215 A216 Q222 R223A215-M219 WeakPolarHBondContact O-CG 3.25Å; A215-M219 PolarHBondContact O-N 3.43Å; A216-M219 PolarHBondContact O-N 2.86Å; M219-Q222 PolarHBondContact O-N 3.42Å; M219-R223 PolarHBondContact O-N 3.28Å
220E94.8Very high94.8Very high65 Ų65108.3 Ų108.330%0.30454%0.535SS..Hα-helixtrans-67.2-41.4175.9177.653.4-154.700111.9A216 S217 Q218 Q222 R223 Q224A216-E220 WeakPolarHBondContact O-CB 3.5Å; A216-E220 PolarHBondContact O-N 2.85Å; S217-E220 PolarHBondContact O-N 3.25Å; Q218-E220 VanDerWaalsContact C-N 3.35Å; Q218-E220 PolarHBondContact O-N 2.85Å; E220-Q222 VanDerWaalsContact C-N 3.31Å; E220-Q222 PolarHBondContact O-N 2.98Å; E220-R223 VanDerWaalsContact CD-NH2 3.27Å; E220-R223 WeakPolarHBondContact O-CB 3.38Å; E220-R223 PolarHBondContact O-N 3.01Å; E220-R223 VanDerWaalsContact O-N 3.13Å; E220-R223 IonicContact OE1-CZ 2.68Å; E220-R223 IonicContact OE1-NE 3.34Å; E220-R223 IonicContact OE1-NH2 3.74Å; E220-R223 PolarHBondContact OE1-NH2 3.39Å; E220-R223 IonicContact OE2-CZ 3.49Å; E220-R223 VanDerWaalsContact OE2-CZ 3.24Å; E220-R223 IonicContact OE2-NE 2.69Å; E220-R223 PolarHBondContact OE2-NE 3.34Å; E220-R223 IonicContact OE2-NH2 3.61Å; E220-R223 PolarHBondContact OE2-NH2 2.99Å; E220-Q224 WeakPolarHBondContact O-CG 3.44Å; E220-Q224 PolarHBondContact O-N 3.21Å; E220-Q224 PolarHBondContact OE1-NE2 3.47Å
221K96.4Very high94.9Very high156 Ų156107.7 Ų107.768%0.67853%0.532SS*.Hα-helixtrans-60.6-40.2173.1-173.3177.1-179.6179.20111.9S217 Q218 Q224 Q225S217-K221 WeakPolarHBondContact O-CB 3.45Å; S217-K221 PolarHBondContact O-N 3.08Å; Q218-K221 PolarHBondContact O-N 3.26Å; K221-Q224 PolarHBondContact O-N 2.98Å; K221-Q225 PolarHBondContact O-N 3.5Å; K221-Q225 VanDerWaalsContact O-N 3.07Å
222Q95.1Very high95Very high109 Ų109107.5 Ų107.551%0.50953%0.531SS..Hα-helixtrans-65.3-39.4173.8-166.1-17525.800111.7Q218 M219 E220 Q225 M226Q218-Q222 PolarHBondContact O-N 3.29Å; M219-Q222 PolarHBondContact O-N 3.42Å; E220-Q222 VanDerWaalsContact C-N 3.31Å; E220-Q222 PolarHBondContact O-N 2.98Å; Q222-Q225 PolarHBondContact O-N 3.4Å; Q222-M226 PolarHBondContact O-N 3.4Å
223R94.9Very high95.1Very high159 Ų159109.1 Ų109.160%0.654%0.54SS*.Hα-helixtrans-61.6-42.5174.8-168-179.971.61124.5111.7M219 E220 M226 E227M219-R223 PolarHBondContact O-N 3.28Å; E220-R223 VanDerWaalsContact CD-NH2 3.27Å; E220-R223 WeakPolarHBondContact O-CB 3.38Å; E220-R223 PolarHBondContact O-N 3.01Å; E220-R223 VanDerWaalsContact O-N 3.13Å; E220-R223 IonicContact OE1-CZ 2.68Å; E220-R223 IonicContact OE1-NE 3.34Å; E220-R223 IonicContact OE1-NH2 3.74Å; E220-R223 PolarHBondContact OE1-NH2 3.39Å; E220-R223 IonicContact OE2-CZ 3.49Å; E220-R223 VanDerWaalsContact OE2-CZ 3.24Å; E220-R223 IonicContact OE2-NE 2.69Å; E220-R223 PolarHBondContact OE2-NE 3.34Å; E220-R223 IonicContact OE2-NH2 3.61Å; E220-R223 PolarHBondContact OE2-NH2 2.99Å; R223-M226 PolarHBondContact O-N 3.06Å; R223-E227 WeakPolarHBondContact O-CB 3.36Å; R223-E227 PolarHBondContact O-N 2.73Å
224Q97.1Very high95.3Very high112 Ų112106.1 Ų106.152%0.52353%0.528SS..Hα-helixtrans-64.2-42.2176.6-69.7169.713.600112.1E220 K221 M226 E227 L228E220-Q224 WeakPolarHBondContact O-CG 3.44Å; E220-Q224 PolarHBondContact O-N 3.21Å; E220-Q224 PolarHBondContact OE1-NE2 3.47Å; K221-Q224 PolarHBondContact O-N 2.98Å; Q224-M226 PolarHBondContact O-N 3.12Å; Q224-E227 PolarHBondContact O-N 3.23Å; Q224-L228 PolarHBondContact O-N 2.98Å
225Q95.5Very high95.3Very high145 Ų145106.1 Ų106.168%0.67853%0.525SS*.Hα-helixtrans-62.9-40.7174.8-171.21797.300112.1K221 Q222 L228 A229K221-Q225 PolarHBondContact O-N 3.5Å; K221-Q225 VanDerWaalsContact O-N 3.07Å; Q222-Q225 PolarHBondContact O-N 3.4Å; Q225-L228 PolarHBondContact O-N 3Å; Q225-A229 PolarHBondContact O-N 3.11Å; Q225-A229 VanDerWaalsContact O-N 3.14Å
226M92.8Very high95.5Very high133 Ų133107 Ų10766%0.65552%0.522SS*.Hα-helixtrans-65.1-39.6175.5-172.4-175.6-64.200112.2Q222 R223 Q224 A229 R230Q222-M226 PolarHBondContact O-N 3.4Å; R223-M226 PolarHBondContact O-N 3.06Å; Q224-M226 PolarHBondContact O-N 3.12Å; M226-A229 PolarHBondContact O-N 3.14Å; M226-R230 PolarHBondContact O-N 2.69Å
227E96.6Very high95.7Very high72 Ų72106.3 Ų106.334%0.33652%0.516SS..Hα-helixtrans-68.9-38.4177.6178.453.6-151.800112.1R223 Q224 A229 R230 Q231R223-E227 WeakPolarHBondContact O-CB 3.36Å; R223-E227 PolarHBondContact O-N 2.73Å; Q224-E227 PolarHBondContact O-N 3.23Å; E227-A229 PolarHBondContact O-N 3.02Å; E227-R230 VanDerWaalsContact CD-NE 3.34Å; E227-R230 WeakPolarHBondContact O-CB 3.4Å; E227-R230 PolarHBondContact O-N 3.42Å; E227-R230 IonicContact OE1-CZ 3.17Å; E227-R230 IonicContact OE1-NE 2.73Å; E227-R230 PolarHBondContact OE1-NE 3.43Å; E227-R230 VanDerWaalsContact OE1-NE 3.17Å; E227-R230 IonicContact OE1-NH2 3.74Å; E227-R230 PolarHBondContact OE1-NH2 3.34Å; E227-R230 WeakPolarHBondContact OE2-CD 3.38Å; E227-R230 IonicContact OE2-CZ 2.79Å; E227-R230 IonicContact OE2-NE 2.69Å; E227-R230 PolarHBondContact OE2-NE 2.91Å; E227-R230 IonicContact OE2-NH2 3.67Å; E227-Q231 WeakPolarHBondContact O-CG 3.22Å; E227-Q231 PolarHBondContact O-N 3.48Å; E227-Q231 PolarHBondContact OE1-NE2 2.91Å
228L97.3Very high95.7Very high120 Ų120108.6 Ų108.663%0.62851%0.513SS*.Hα-helixtrans-60.5-44.6172.4-179.162.8000111.6Q224 Q225 R230 Q231 Q232Q224-L228 PolarHBondContact O-N 2.98Å; Q225-L228 PolarHBondContact O-N 3Å; L228-R230 VanDerWaalsContact C-N 3.33Å; L228-R230 PolarHBondContact O-N 3.48Å; L228-Q231 PolarHBondContact O-N 3.06Å; L228-Q232 PolarHBondContact O-N 2.94Å
229A95.7Very high95.9Very high53 Ų53108.4 Ų108.444%0.43851%0.512SS..Hα-helixtrans-63.1-38.2174.600000112.1Q225 M226 E227 Q232 Q233Q225-A229 PolarHBondContact O-N 3.11Å; Q225-A229 VanDerWaalsContact O-N 3.14Å; M226-A229 PolarHBondContact O-N 3.14Å; E227-A229 PolarHBondContact O-N 3.02Å; A229-Q232 PolarHBondContact O-N 3.44Å; A229-Q233 WeakPolarHBondContact O-CB 3.1Å; A229-Q233 PolarHBondContact O-N 3.31Å
230R97.3Very high96Very high117 Ų117108.7 Ų108.744%0.44251%0.511SS..Hα-helixtrans-61.6-43.3174.3-165.8-161.167.569.33.2111.7M226 E227 L228 Q233 E234M226-R230 PolarHBondContact O-N 2.69Å; E227-R230 VanDerWaalsContact CD-NE 3.34Å; E227-R230 WeakPolarHBondContact O-CB 3.4Å; E227-R230 PolarHBondContact O-N 3.42Å; E227-R230 IonicContact OE1-CZ 3.17Å; E227-R230 IonicContact OE1-NE 2.73Å; E227-R230 PolarHBondContact OE1-NE 3.43Å; E227-R230 VanDerWaalsContact OE1-NE 3.17Å; E227-R230 IonicContact OE1-NH2 3.74Å; E227-R230 PolarHBondContact OE1-NH2 3.34Å; E227-R230 WeakPolarHBondContact OE2-CD 3.38Å; E227-R230 IonicContact OE2-CZ 2.79Å; E227-R230 IonicContact OE2-NE 2.69Å; E227-R230 PolarHBondContact OE2-NE 2.91Å; E227-R230 IonicContact OE2-NH2 3.67Å; L228-R230 VanDerWaalsContact C-N 3.33Å; L228-R230 PolarHBondContact O-N 3.48Å; R230-Q233 PolarHBondContact O-N 3.14Å; R230-E234 IonicContact CZ-OE2 3.37Å; R230-E234 IonicContact NH1-OE2 3.16Å; R230-E234 PolarHBondContact NH1-OE2 2.73Å; R230-E234 IonicContact NH2-OE2 2.66Å; R230-E234 PolarHBondContact O-N 3.13Å
231Q97.4Very high96.1Very high95 Ų95112 Ų11244%0.44453%0.527SS..Hα-helixtrans-65.7-41.5177.5-70.1173.821.200111.9E227 L228 Q233 E234 Q235E227-Q231 WeakPolarHBondContact O-CG 3.22Å; E227-Q231 PolarHBondContact O-N 3.48Å; E227-Q231 PolarHBondContact OE1-NE2 2.91Å; L228-Q231 PolarHBondContact O-N 3.06Å; Q231-Q233 PolarHBondContact O-N 3.2Å; Q231-E234 PolarHBondContact O-N 3.46Å; Q231-Q235 WeakPolarHBondContact O-CG 3.47Å; Q231-Q235 PolarHBondContact O-N 2.71Å
232Q96.1Very high96Very high133 Ų133110.4 Ų110.462%0.62152%0.522SS*.Hα-helixtrans-60.6-45.3174.3-169.3179.326.500111.7L228 A229 E234 Q235 I236L228-Q232 PolarHBondContact O-N 2.94Å; A229-Q232 PolarHBondContact O-N 3.44Å; Q232-E234 VanDerWaalsContact C-N 3.29Å; Q232-E234 PolarHBondContact O-N 3.29Å; Q232-Q235 PolarHBondContact O-N 2.79Å; Q232-I236 HydrophobicContact CG-CD1 4.36Å; Q232-I236 WeakPolarHBondContact O-CG1 3.43Å; Q232-I236 PolarHBondContact O-N 3Å; Q232-I236 VanDerWaalsContact O-N 3.11Å
233Q95.3Very high96.1Very high120 Ų120111 Ų11156%0.56153%0.528SS*.Hα-helixtrans-62.1-36175.6-173.961.546.300112.3A229 R230 Q231 I236 A237A229-Q233 WeakPolarHBondContact O-CB 3.1Å; A229-Q233 PolarHBondContact O-N 3.31Å; R230-Q233 PolarHBondContact O-N 3.14Å; Q231-Q233 PolarHBondContact O-N 3.2Å; Q233-I236 PolarHBondContact O-N 2.95Å; Q233-A237 WeakPolarHBondContact O-CB 3.2Å; Q233-A237 PolarHBondContact O-N 3.17Å
234E97.2Very high96.1Very high71 Ų71109.2 Ų109.233%0.33253%0.53SS..Hα-helixtrans-68.7-38.7177-160.6-176.3141.300112.2R230 Q231 Q232 A237 R238R230-E234 IonicContact CZ-OE2 3.37Å; R230-E234 IonicContact NH1-OE2 3.16Å; R230-E234 PolarHBondContact NH1-OE2 2.73Å; R230-E234 IonicContact NH2-OE2 2.66Å; R230-E234 PolarHBondContact O-N 3.13Å; Q231-E234 PolarHBondContact O-N 3.46Å; Q232-E234 VanDerWaalsContact C-N 3.29Å; Q232-E234 PolarHBondContact O-N 3.29Å; E234-A237 PolarHBondContact O-N 2.74Å; E234-R238 VanDerWaalsContact O-CG 3.29Å; E234-R238 WeakPolarHBondContact O-CG 3.28Å; E234-R238 PolarHBondContact O-N 2.98Å; E234-R238 IonicContact OE1-CZ 2.59Å; E234-R238 IonicContact OE1-NE 3.02Å; E234-R238 PolarHBondContact OE1-NE 2.86Å; E234-R238 IonicContact OE1-NH2 3.24Å; E234-R238 PolarHBondContact OE1-NH2 2.81Å
235Q96.1Very high96Very high115 Ų115110.8 Ų110.854%0.53754%0.537SS..Hα-helixtrans-63.1-42.5173.6-66.3-68.75.900111.9Q231 Q232 R238 Q239Q231-Q235 WeakPolarHBondContact O-CG 3.47Å; Q231-Q235 PolarHBondContact O-N 2.71Å; Q232-Q235 PolarHBondContact O-N 2.79Å; Q235-R238 PolarHBondContact O-N 2.68Å; Q235-Q239 PolarHBondContact O-N 3.42Å; Q235-Q239 VanDerWaalsContact O-N 3.08Å
236I96.3Very high96Very high70 Ų70109.7 Ų109.736%0.35953%0.532SS..Hα-helixtrans-62.2-44175.5-66.1165.6000110.6Q232 Q233 R238 Q239 Q240Q232-I236 HydrophobicContact CG-CD1 4.36Å; Q232-I236 WeakPolarHBondContact O-CG1 3.43Å; Q232-I236 PolarHBondContact O-N 3Å; Q232-I236 VanDerWaalsContact O-N 3.11Å; Q233-I236 PolarHBondContact O-N 2.95Å; I236-R238 VanDerWaalsContact C-N 3.33Å; I236-R238 PolarHBondContact O-N 3.4Å; I236-Q239 PolarHBondContact O-N 2.95Å; I236-Q240 WeakPolarHBondContact O-CG 3.47Å; I236-Q240 PolarHBondContact O-N 2.92Å
237A96.9Very high96Very high46 Ų46107.8 Ų107.838%0.3852%0.521SS..Hα-helixtrans-61.6-38.8176.800000112.6Q233 E234 Q240 Q241Q233-A237 WeakPolarHBondContact O-CB 3.2Å; Q233-A237 PolarHBondContact O-N 3.17Å; E234-A237 PolarHBondContact O-N 2.74Å; A237-Q240 PolarHBondContact O-N 3.28Å; A237-Q241 WeakPolarHBondContact O-CB 3.21Å; A237-Q241 PolarHBondContact O-N 3.47Å
238R97Very high95.8Very high127 Ų127110.5 Ų110.548%0.47953%0.534SS..Hα-helixtrans-64.2-42.1175.1-70168.9-175.5-152.43.9112.1E234 Q235 I236 Q241 Q242E234-R238 VanDerWaalsContact O-CG 3.29Å; E234-R238 WeakPolarHBondContact O-CG 3.28Å; E234-R238 PolarHBondContact O-N 2.98Å; E234-R238 IonicContact OE1-CZ 2.59Å; E234-R238 IonicContact OE1-NE 3.02Å; E234-R238 PolarHBondContact OE1-NE 2.86Å; E234-R238 IonicContact OE1-NH2 3.24Å; E234-R238 PolarHBondContact OE1-NH2 2.81Å; Q235-R238 PolarHBondContact O-N 2.68Å; I236-R238 VanDerWaalsContact C-N 3.33Å; I236-R238 PolarHBondContact O-N 3.4Å; R238-Q241 PolarHBondContact O-N 3.4Å; R238-Q242 WeakPolarHBondContact O-CG 3.27Å; R238-Q242 PolarHBondContact O-N 3.14Å
239Q95.9Very high95.7Very high140 Ų140111.4 Ų111.465%0.65453%0.533SS*.Hα-helixtrans-63-44.2173.9-72.6-1715.600112Q235 I236 Q241 Q242 L243Q235-Q239 PolarHBondContact O-N 3.42Å; Q235-Q239 VanDerWaalsContact O-N 3.08Å; I236-Q239 PolarHBondContact O-N 2.95Å; Q239-Q241 VanDerWaalsContact C-N 3.31Å; Q239-Q241 PolarHBondContact O-N 3Å; Q239-Q242 PolarHBondContact O-N 3.27Å; Q239-L243 PolarHBondContact O-N 3.5Å
240Q94.5Very high95.6Very high124 Ų124112.9 Ų112.958%0.57953%0.532SS*.Hα-helixtrans-61.4-38.8176.5-70.218010.300112I236 A237 L243 L244I236-Q240 WeakPolarHBondContact O-CG 3.47Å; I236-Q240 PolarHBondContact O-N 2.92Å; A237-Q240 PolarHBondContact O-N 3.28Å; Q240-L243 PolarHBondContact O-N 3.2Å; Q240-L244 WeakPolarHBondContact O-CB 3.42Å; Q240-L244 PolarHBondContact O-N 2.82Å
241Q96Very high95.3Very high135 Ų135111.3 Ų111.363%0.63153%0.533SS*.Hα-helixtrans-64.4-41.2175-170.4-179.613.600112.3A237 R238 Q239 L244 Q245A237-Q241 WeakPolarHBondContact O-CB 3.21Å; A237-Q241 PolarHBondContact O-N 3.47Å; R238-Q241 PolarHBondContact O-N 3.4Å; Q239-Q241 VanDerWaalsContact C-N 3.31Å; Q239-Q241 PolarHBondContact O-N 3Å; Q241-L244 PolarHBondContact O-N 3.49Å; Q241-Q245 WeakPolarHBondContact O-CB 3.34Å; Q241-Q245 PolarHBondContact O-N 2.74Å
242Q95.4Very high95.1Very high123 Ų123111.3 Ų111.358%0.57554%0.535SS*.Hα-helixtrans-64.3-42.8174.9-73.4178.7-13.800112R238 Q239 Q245 Q246R238-Q242 WeakPolarHBondContact O-CG 3.27Å; R238-Q242 PolarHBondContact O-N 3.14Å; Q239-Q242 PolarHBondContact O-N 3.27Å; Q242-Q245 PolarHBondContact O-N 2.77Å; Q242-Q246 WeakPolarHBondContact O-CG 3.34Å; Q242-Q246 PolarHBondContact O-N 3.48Å
243L95.9Very high94.8Very high120 Ų120108.9 Ų108.963%0.62853%0.526SS*.Hα-helixtrans-62.2-44.4176.1-177.363.4000111.5Q239 Q240 Q245 Q246 Q247Q239-L243 PolarHBondContact O-N 3.5Å; Q240-L243 PolarHBondContact O-N 3.2Å; L243-Q245 VanDerWaalsContact C-N 3.34Å; L243-Q245 PolarHBondContact O-N 2.87Å; L243-Q246 PolarHBondContact O-N 2.82Å; L243-Q247 PolarHBondContact O-N 3.18Å
244L95.8Very high94.4Very high123 Ų123108.2 Ų108.264%0.64452%0.523SS*.Hα-helixtrans-63.7-38.3176.9-172.565.8000112.1Q240 Q241 Q247 H248Q240-L244 WeakPolarHBondContact O-CB 3.42Å; Q240-L244 PolarHBondContact O-N 2.82Å; Q241-L244 PolarHBondContact O-N 3.49Å; L244-Q247 PolarHBondContact O-N 2.86Å; L244-H248 PolarHBondContact O-N 3.07Å
245Q95.4Very high93.8Very high144 Ų144111.1 Ų111.167%0.67354%0.536SS*.Hα-helixtrans-66.5-40.3174.9-174.9176.18400112.1Q241 Q242 L243 H248 K249Q241-Q245 WeakPolarHBondContact O-CB 3.34Å; Q241-Q245 PolarHBondContact O-N 2.74Å; Q242-Q245 PolarHBondContact O-N 2.77Å; L243-Q245 VanDerWaalsContact C-N 3.34Å; L243-Q245 PolarHBondContact O-N 2.87Å; Q245-H248 PolarHBondContact O-N 3.48Å; Q245-K249 PolarHBondContact O-N 3.22Å
246Q94.3Very high93.1Very high123 Ų123111.6 Ų111.658%0.57554%0.539SS*.Hα-helixtrans-62.4-45.4171.9-73.2-171.869.100111.4Q242 L243 H248 K249 I250Q242-Q246 WeakPolarHBondContact O-CG 3.34Å; Q242-Q246 PolarHBondContact O-N 3.48Å; L243-Q246 PolarHBondContact O-N 2.82Å; Q246-H248 VanDerWaalsContact C-N 3.31Å; Q246-H248 PolarHBondContact O-N 3.34Å; Q246-K249 PolarHBondContact O-N 2.99Å; Q246-K249 VanDerWaalsContact O-N 3.12Å; Q246-I250 WeakPolarHBondContact O-CG1 3.47Å; Q246-I250 PolarHBondContact O-N 2.7Å
247Q92.4Very high92.3Very high92 Ų92113.8 Ų113.843%0.4355%0.55SS..Hα-helixtrans-61.2-38.5177.6-175.959.78500112.4L243 L244 I250 N251L243-Q247 PolarHBondContact O-N 3.18Å; L244-Q247 PolarHBondContact O-N 2.86Å; Q247-I250 PolarHBondContact O-N 3.07Å; Q247-N251 PolarHBondContact O-N 3.43Å; Q247-N251 PolarHBondContact O-ND2 2.99Å
248H93.6Very high90.9Very high129 Ų129118.1 Ų118.160%0.59756%0.562SS**Hα-helixtrans-64.7-43.6172.9-178.570.9000111.9L244 Q245 Q246 I250 N251 L252L244-H248 PolarHBondContact O-N 3.07Å; Q245-H248 PolarHBondContact O-N 3.48Å; Q246-H248 VanDerWaalsContact C-N 3.31Å; Q246-H248 PolarHBondContact O-N 3.34Å; H248-I250 VanDerWaalsContact C-N 3.34Å; H248-I250 PolarHBondContact O-N 3.18Å; H248-N251 PolarHBondContact O-N 3.18Å; H248-L252 PolarHBondContact O-N 2.92Å
249K95.1Very high89.4Confident140 Ų140117.4 Ų117.461%0.60957%0.572SS**Hα-helixtrans-61.7-39.8175.4-171.7178.4179.9-177.80112.2Q245 Q246 L252 L253Q245-K249 PolarHBondContact O-N 3.22Å; Q246-K249 PolarHBondContact O-N 2.99Å; Q246-K249 VanDerWaalsContact O-N 3.12Å; K249-L252 PolarHBondContact O-N 3.27Å; K249-L253 HydrophobicContact CG-CD1 4.27Å; K249-L253 WeakPolarHBondContact O-CB 3.37Å; K249-L253 WeakPolarHBondContact O-CG 3.21Å; K249-L253 PolarHBondContact O-N 2.85Å
250I92.5Very high87.4Confident83 Ų83118.4 Ų118.443%0.42658%0.576SS.*Hα-helixtrans-63.1-42.6174.8-69.2163.9000110.8Q246 Q247 H248 L253 Q254Q246-I250 WeakPolarHBondContact O-CG1 3.47Å; Q246-I250 PolarHBondContact O-N 2.7Å; Q247-I250 PolarHBondContact O-N 3.07Å; H248-I250 VanDerWaalsContact C-N 3.34Å; H248-I250 PolarHBondContact O-N 3.18Å; I250-L253 PolarHBondContact O-N 3.43Å; I250-Q254 WeakPolarHBondContact O-CG 3.3Å; I250-Q254 PolarHBondContact O-N 2.95Å
251N92.4Very high85.4Confident84 Ų84115.1 Ų115.145%0.44958%0.576SS.*Hα-helixtrans-65.3-39.1175.5-75.1-36000112.8Q247 H248 Q254 Q255Q247-N251 PolarHBondContact O-N 3.43Å; Q247-N251 PolarHBondContact O-ND2 2.99Å; H248-N251 PolarHBondContact O-N 3.18Å; N251-Q254 PolarHBondContact O-N 2.79Å; N251-Q254 PolarHBondContact OD1-NE2 2.96Å; N251-Q255 WeakPolarHBondContact O-CB 3.29Å; N251-Q255 PolarHBondContact O-N 3.2Å
252L92.8Very high82.8Confident96 Ų96116.5 Ų116.550%0.50358%0.582SS.*Hα-helixtrans-65.9-40.3175.4-17364.4000112.1H248 K249 Q255 Q256H248-L252 PolarHBondContact O-N 2.92Å; K249-L252 PolarHBondContact O-N 3.27Å; L252-Q255 PolarHBondContact O-N 3.18Å; L252-Q256 PolarHBondContact O-N 3.04Å
253L90.6Very high80.3Confident82 Ų82117.4 Ų117.443%0.42959%0.588SS.*Hα-helixtrans-65.7-43174.6-72.8169.2000112K249 I250 Q255 Q256 I257K249-L253 HydrophobicContact CG-CD1 4.27Å; K249-L253 WeakPolarHBondContact O-CB 3.37Å; K249-L253 WeakPolarHBondContact O-CG 3.21Å; K249-L253 PolarHBondContact O-N 2.85Å; I250-L253 PolarHBondContact O-N 3.43Å; L253-Q255 VanDerWaalsContact C-N 3.32Å; L253-Q255 PolarHBondContact O-N 2.99Å; L253-Q256 PolarHBondContact O-N 3Å; L253-I257 VanDerWaalsContact O-CG1 3.28Å; L253-I257 WeakPolarHBondContact O-CG1 3.43Å; L253-I257 PolarHBondContact O-N 2.65Å
254Q85.8Confident78Confident106 Ų106116.1 Ų116.150%0.49559%0.587SS.*Hα-helixtrans-59.5-42.9172.7-75179108.300111.5I250 N251 Q256 I257 Q258I250-Q254 WeakPolarHBondContact O-CG 3.3Å; I250-Q254 PolarHBondContact O-N 2.95Å; N251-Q254 PolarHBondContact O-N 2.79Å; N251-Q254 PolarHBondContact OD1-NE2 2.96Å; Q254-Q256 PolarHBondContact O-N 3.2Å; Q254-I257 PolarHBondContact O-N 3.33Å; Q254-Q258 WeakPolarHBondContact O-CB 3.48Å; Q254-Q258 PolarHBondContact O-N 2.94Å
255Q85.6Confident75.6Confident131 Ų131116.3 Ų116.361%0.61260%0.595SS**Hα-helixtrans-63.6-41176.3-173171.591.300112.1N251 L252 L253 I257 Q258 V259N251-Q255 WeakPolarHBondContact O-CB 3.29Å; N251-Q255 PolarHBondContact O-N 3.2Å; L252-Q255 PolarHBondContact O-N 3.18Å; L253-Q255 VanDerWaalsContact C-N 3.32Å; L253-Q255 PolarHBondContact O-N 2.99Å; Q255-I257 PolarHBondContact O-N 3.13Å; Q255-Q258 WeakPolarHBondContact O-CB 3.4Å; Q255-Q258 PolarHBondContact O-N 3.14Å; Q255-V259 WeakPolarHBondContact O-CG2 3.45Å; Q255-V259 PolarHBondContact O-N 3.4Å
256Q81.1Confident73.5Confident126 Ų126116.3 Ų116.359%0.58960%0.599SS**Hα-helixtrans-62.9-40.7174.4-171.6175.29.300112.1L252 L253 Q254 V259 Q260L252-Q256 PolarHBondContact O-N 3.04Å; L253-Q256 PolarHBondContact O-N 3Å; Q254-Q256 PolarHBondContact O-N 3.2Å; Q256-V259 PolarHBondContact O-N 3.22Å; Q256-Q260 WeakPolarHBondContact O-CB 3.38Å; Q256-Q260 PolarHBondContact O-N 3.37Å
257I79.4Confident70.8Confident115 Ų115119 Ų11959%0.5961%0.614SS**Hα-helixtrans-65.9-38.9174.1-67.3162.8000110.8L253 Q254 Q255 V259 Q260 G261L253-I257 VanDerWaalsContact O-CG1 3.28Å; L253-I257 WeakPolarHBondContact O-CG1 3.43Å; L253-I257 PolarHBondContact O-N 2.65Å; Q254-I257 PolarHBondContact O-N 3.33Å; Q255-I257 PolarHBondContact O-N 3.13Å; I257-V259 VanDerWaalsContact C-N 3.3Å; I257-V259 PolarHBondContact O-N 2.82Å; I257-Q260 PolarHBondContact O-N 2.81Å; I257-G261 WeakPolarHBondContact O-CA 3.38Å; I257-G261 PolarHBondContact O-N 3.47Å
258Q67.7Low68.6Low137 Ų137121.5 Ų121.564%0.6463%0.629SS**Hα-helixtrans-64.8-33.9177.5-15577.870.100112.7Q254 Q255 H262Q254-Q258 WeakPolarHBondContact O-CB 3.48Å; Q254-Q258 PolarHBondContact O-N 2.94Å; Q255-Q258 WeakPolarHBondContact O-CB 3.4Å; Q255-Q258 PolarHBondContact O-N 3.14Å; Q258-H262 PolarHBondContact O-ND1 2.88Å
259V64.5Low66Low112 Ų112119.8 Ų119.868%0.67963%0.629SS**Hα-helixtrans-77.9-38.9176173.20000111.5Q255 Q256 I257 G261Q255-V259 WeakPolarHBondContact O-CG2 3.45Å; Q255-V259 PolarHBondContact O-N 3.4Å; Q256-V259 PolarHBondContact O-N 3.22Å; I257-V259 VanDerWaalsContact C-N 3.3Å; I257-V259 PolarHBondContact O-N 2.82Å; V259-G261 VanDerWaalsContact C-N 3.35Å
260Q53.9Low63.3Low161 Ų161121 Ų12175%0.75264%0.641SS**Hα-helixtrans-73.7-25.9174.4-173.5170.480.800112.9Q256 I257 H262Q256-Q260 WeakPolarHBondContact O-CB 3.38Å; Q256-Q260 PolarHBondContact O-N 3.37Å; I257-Q260 PolarHBondContact O-N 2.81Å; Q260-H262 PolarHBondContact O-N 3.28Å
261G52.4Low60.9Low55 Ų55125.5 Ų125.557%0.56766%0.657SS**THydrogen-bonded Turntrans-73.3-6.1177.700000114.9I257 V259 M263I257-G261 WeakPolarHBondContact O-CA 3.38Å; I257-G261 PolarHBondContact O-N 3.47Å; V259-G261 VanDerWaalsContact C-N 3.35Å; G261-M263 PolarHBondContact O-N 3.42Å
262H42.5Very low58.5Low165 Ų165126.9 Ų126.976%0.76467%0.671SS**  trans-78.845.5174.7-9782.9000113.3Q258 Q260Q258-H262 PolarHBondContact O-ND1 2.88Å; Q260-H262 PolarHBondContact O-N 3.28Å
263M43.3Very low56.3Low142 Ų142131.6 Ų131.670%0.769%0.69SS**  trans-70.8129.1151-77-65.7-68.900107.4G261G261-M263 PolarHBondContact O-N 3.42Å
264P46.8Very low53.6Low93 Ų93134.2 Ų134.260%0.60470%0.704SS**  trans-60.7144.717527-34.1000109.4L266P264-L266 PolarHBondContact O-N 2.68Å
265P46.3Very low51.7Low126 Ų126137.2 Ų137.282%0.81872%0.719SS**  trans-62.7106177.226.1-33.3000109M267P265-M267 PolarHBondContact O-N 2.85Å; P265-M267 VanDerWaalsContact O-N 3.12Å
266L50.1Low49.8Very low145 Ų145141.6 Ų141.676%0.75973%0.73SS**  trans-59.7117.6171.2-69.8175.6000107.6P264 I268P264-L266 PolarHBondContact O-N 2.68Å; L266-I268 PolarHBondContact O-N 2.71Å
267M38.2Very low47.8Very low179 Ų179141 Ų14188%0.88274%0.735SS**  trans-63.198.1175.8-83.1-174.260.900109.7P265 P269P265-M267 PolarHBondContact O-N 2.85Å; P265-M267 VanDerWaalsContact O-N 3.12Å; M267-P269 WeakPolarHBondContact O-CD 3.36Å
268I46.7Very low46.4Very low145 Ų145143.8 Ų143.874%0.74475%0.75SS**  trans-65.5121.3159.2-59.9175.8000106.1L266 I270L266-I268 PolarHBondContact O-N 2.71Å; I268-I270 PolarHBondContact O-N 3.3Å
269P39Very low45.4Very low93 Ų93142.2 Ų142.260%0.60476%0.76SS**  trans-60.9121.6175.1-22.434.3000109.6M267 F271M267-P269 WeakPolarHBondContact O-CD 3.36Å; P269-F271 VanDerWaalsContact C-N 3.34Å; P269-F271 HydrophobicContact CB-CD2 4.49Å; P269-F271 HydrophobicContact CB-CE2 4.41Å; P269-F271 PolarHBondContact O-N 2.94Å
270I38.3Very low44.4Very low166 Ų166141.1 Ų141.185%0.85176%0.763SS**  trans-70.995174-59.3175.1000107.3I268I268-I270 PolarHBondContact O-N 3.3Å
271F41.1Very low43.6Very low176 Ų176138.6 Ų138.677%0.77277%0.77SS**PPolyproline II helixtrans-67.2143.1164.6-88.9-91.3000109.5P269P269-F271 VanDerWaalsContact C-N 3.34Å; P269-F271 HydrophobicContact CB-CD2 4.49Å; P269-F271 HydrophobicContact CB-CE2 4.41Å; P269-F271 PolarHBondContact O-N 2.94Å
272P42.8Very low43Very low114 Ų114140.9 Ų140.974%0.7478%0.783SS**PPolyproline II helixtrans-60.8153.1-178.2-2434.7000113.1D274P272-D274 PolarHBondContact O-N 2.93Å
273H46.8Very low42.9Very low194 Ų194137.8 Ų137.890%0.89879%0.786SS**PPolyproline II helixtrans-59.8126.9170.5-127.8-50000110.2
274D34.1Very low42.7Very low137 Ų137136.1 Ų136.173%0.73380%0.795SS**  trans-133150.5162.1-159.9-4.7000110.1P272 R276P272-D274 PolarHBondContact O-N 2.93Å; D274-R276 PolarHBondContact O-N 3.49Å
275Q44.7Very low42.2Very low170 Ų170140 Ų14079%0.79481%0.805SS**  trans-95.193-167.5-64.4-174.914.700111.9
276R45.8Very low41.7Very low223 Ų223143.3 Ų143.384%0.84281%0.809SS**  trans-167.3173.1152.3-112.8155.1-71.7-171.44.3112.3D274D274-R276 PolarHBondContact O-N 3.49Å
277T39.7Very low40.9Very low113 Ų113140.1 Ų140.169%0.69381%0.812SS**  trans7250.5177-370000115.6A280T277-A280 HydrophobicContact CG2-CB 3.93Å
278L49Very low40.7Very low173 Ų173140.8 Ų140.891%0.90681%0.81SS**  trans-61.4151.4133.4-83.1162.7000108.9
279A47.5Very low40Very low105 Ų105141.9 Ų141.987%0.86882%0.817SS**  trans68.573.1-179.700000117
280A42.4Very low40Very low88 Ų88145.8 Ų145.873%0.72783%0.825SS**  trans-142.618.9165.300000114.6T277T277-A280 HydrophobicContact CG2-CB 3.93Å
281A37.3Very low40Very low109 Ų109143.4 Ų143.490%0.90182%0.82SS**SBendtrans-126.232.8-174.600000113.4
282A41.2Very low40.1Very low102 Ų102141.4 Ų141.484%0.84382%0.824SS**SBendtrans-135.527.1-173.300000114
283A38.8Very low39.6Very low101 Ų101139.3 Ų139.384%0.83582%0.824SS**  trans-155.888.1177.500000112.6
284A39.7Very low38.8Very low106 Ų106139.6 Ų139.688%0.87683%0.828SS**  trans-164.658.6166.300000112.3
285Q37.3Very low38.8Very low175 Ų175137.7 Ų137.782%0.81883%0.825SS**  trans-95.8161.4154.6-77.7-159.812.100109.5
286Q35.8Very low38.1Very low195 Ų195140.6 Ų140.691%0.91183%0.831SS**  trans72.3156.1172.1-43.5179.515.900114.9
287G31.8Very low37.7Very low79 Ų79138.5 Ų138.581%0.81483%0.828SS**  trans122.472.6170.400000116
288F34.3Very low37.9Very low193 Ų193139 Ų13985%0.84683%0.833SS**  trans-44.6149.2162.8-116.7-112.5000114
289L32.2Very low37.1Very low167 Ų167133.6 Ų133.687%0.87482%0.819SS**  -167.3133.3124.5-105.6165.7000112.5
290F40.3Very low36.3Very low176 Ų176135.8 Ų135.877%0.77282%0.816SS**  trans-117.7144.7175.1-108.9-86.1000109.3
291P36.3Very low35.7Very low115 Ų115138.7 Ų138.775%0.74782%0.819SS**  trans-82.4146.6154-9.127.7000110.8
292P43.3Very low35.3Very low134 Ų134144.3 Ų144.387%0.8782%0.819SS**  trans-97.5154.9-168.437.2-35.7000114.8
293G32.5Very low35.3Very low71 Ų71145.1 Ų145.173%0.73282%0.815SS**  trans-169.190.6175.400000115.3
294M31.5Very low35.2Very low200 Ų200146.7 Ų146.799%0.98581%0.814SS**  trans69.3160.7170.4-51.5-145.37500117.5
295S34.3Very low34.9Very low96 Ų96150.3 Ų150.367%0.67181%0.813SS**  trans-139.6146.8-162.2171.60000110.8
296Y29.2Very low34.7Very low232 Ų232151.4 Ų151.491%0.9182%0.816SS**  trans-149.8163.2133.5-132.2-96.2000111.6
297K36.6Very low34.8Very low179 Ų179149.4 Ų149.478%0.77881%0.809SS**  trans-100.8162.6-170-82.2-72.7-170.7174.40113.6
298P45.3Very low35.1Very low123 Ų123151 Ų15180%0.79981%0.805SS**  trans-107.4172.8-157.941.8-37.4000115.8
299G31.3Very low35.9Very low60 Ų60147 Ų14762%0.61980%0.801SS**  trans136.6137.2161.800000112.3
300D30.7Very low36.6Very low151 Ų151143 Ų14381%0.80779%0.793SS**  cis-159.2170.9-9-96.4-45.4000110.8
301N29.7Very low36.8Very low149 Ų149143.4 Ų143.480%0.79780%0.799SS**  trans68.494.6166-64.8-68.6000119.8
302Y30.1Very low37Very low226 Ų226142 Ų14289%0.88680%0.798SS**  -146.4137.7129.5-108.1-85.4000108.9
303P40.8Very low37Very low119 Ų119139.3 Ų139.377%0.77379%0.786SS**PPolyproline II helixtrans-81.1128.2-172.430.2-34.9000113.3
304V35.1Very low37.5Very low135 Ų135138.9 Ų138.982%0.81878%0.776SS**PPolyproline II helixtrans-95.9116.8164.9178.10000108.4
305Q33.7Very low38Very low181 Ų181134.3 Ų134.385%0.84677%0.77SS**PPolyproline II helixtrans-89.1155.4167.8-75.9-150.26.900112
306F34.1Very low38.5Very low199 Ų199134.2 Ų134.287%0.87378%0.775SS**PPolyproline II helixtrans-74.4143.1-165.6-79.3-112.6000113.7
307I37.4Very low39.7Very low152 Ų152127 Ų12778%0.77976%0.758SS**PPolyproline II helixtrans-89.1121.8157.2-59.5173.5000107.2S309I307-S309 PolarHBondContact O-N 2.92Å
308P38.1Very low40.4Very low112 Ų112122.9 Ų122.973%0.72777%0.767SS**PPolyproline II helixtrans-68.3125.8177.2-2335.3000113.1A310P308-A310 VanDerWaalsContact C-N 3.31Å; P308-A310 PolarHBondContact O-N 3.13Å
309S51.1Low40.9Very low109 Ų109122.3 Ų122.376%0.76276%0.757SS**  trans-74.167.1-175.8-59.70000114.5I307I307-S309 PolarHBondContact O-N 2.92Å
310A46.3Very low42.5Very low84 Ų84121.8 Ų121.869%0.69474%0.744SS**  trans-75.1-27.9176.300000113.8P308 A312P308-A310 VanDerWaalsContact C-N 3.31Å; P308-A310 PolarHBondContact O-N 3.13Å; A310-A312 PolarHBondContact O-N 3.36Å
311M44.9Very low43.7Very low184 Ų184120 Ų12091%0.90674%0.74SS**THydrogen-bonded Turntrans-79.5-13.3-172.9-59.2-172.178.400114.4
312A40.8Very low45.3Very low87 Ų87119.3 Ų119.372%0.71974%0.736SS**THydrogen-bonded Turntrans-79.9-15.9-175.600000114.4A310A310-A312 PolarHBondContact O-N 3.36Å
313A42.7Very low46.9Very low76 Ų76113 Ų11363%0.62872%0.715SS**SBendtrans-94-15.9-173.100000114.7A315A313-A315 VanDerWaalsContact C-N 3.31Å; A313-A315 PolarHBondContact O-N 3.42Å
314A43.8Very low48.5Very low62 Ų62112.5 Ų112.551%0.51271%0.705SS.*G310 helixtrans-74.4-16.9-172.600000114.3A316A314-A316 PolarHBondContact O-N 2.96Å
315A41.2Very low50.3Low105 Ų105112.1 Ų112.187%0.86869%0.694SS**G310 helixtrans-74.3-4.9-17400000115.1A313A313-A315 VanDerWaalsContact C-N 3.31Å; A313-A315 PolarHBondContact O-N 3.42Å
316A45.7Very low52.1Low94 Ų94110.1 Ų110.178%0.77769%0.685SS**G310 helixtrans-105.2-6.5-176.500000114.7A314A314-A316 PolarHBondContact O-N 2.96Å
317S54.9Low53.7Low79 Ų79106.1 Ų106.155%0.55267%0.672SS**SBendtrans-126.3106.3-173.6-65.10000110.7L319S317-L319 PolarHBondContact O-N 3.34Å
318G50.7Low54.9Low94 Ų94105.7 Ų105.797%0.96966%0.661SS**  trans-71.459.2-174.900000115.2
319L55.2Low56.1Low110 Ų110102.9 Ų102.958%0.57665%0.647SS**  trans-86.9149.1175.9-64.5174.9000111.4S317 Q323S317-L319 PolarHBondContact O-N 3.34Å; L319-Q323 HydrophobicContact CB-CB 4.45Å
320S64.7Low56.5Low50 Ų50100.6 Ų100.635%0.3564%0.635SS.*  trans-71.2154.3-179.567.90000112.4L322 Q323 L324S320-L322 PolarHBondContact O-N 2.92Å; S320-L322 VanDerWaalsContact O-N 3.12Å; S320-Q323 WeakPolarHBondContact O-CB 3.46Å; S320-Q323 PolarHBondContact O-N 2.99Å; S320-Q323 WeakPolarHBondContact OG-CG 3.19Å; S320-Q323 PolarHBondContact OG-OE1 3.36Å; S320-L324 PolarHBondContact O-N 3.48Å; S320-L324 VanDerWaalsContact O-N 3.15Å
321P56.4Low57Low112 Ų112102.5 Ų102.573%0.72763%0.63SS**Hα-helixtrans-55.8-32.5178.9-27.435.5000113.9L324 Q325P321-L324 PolarHBondContact O-N 3.07Å; P321-Q325 WeakPolarHBondContact O-CB 3.31Å; P321-Q325 PolarHBondContact O-N 3.4Å
322L63.3Low57.7Low135 Ų13598.1 Ų98.171%0.70761%0.61SS**Hα-helixtrans-67-37.8177.7-153.782000112.1S320 Q325 Q326S320-L322 PolarHBondContact O-N 2.92Å; S320-L322 VanDerWaalsContact O-N 3.12Å; L322-Q325 PolarHBondContact O-N 2.96Å; L322-Q326 VanDerWaalsContact O-CB 3.31Å; L322-Q326 WeakPolarHBondContact O-CB 3.4Å; L322-Q326 PolarHBondContact O-N 2.67Å
323Q64.5Low58.3Low95 Ų9597.4 Ų97.444%0.44460%0.604SS.*Hα-helixtrans-69.9-37.8175.7-70.2163.2-56.100111.2L319 S320 Q326 L327L319-Q323 HydrophobicContact CB-CB 4.45Å; S320-Q323 WeakPolarHBondContact O-CB 3.46Å; S320-Q323 PolarHBondContact O-N 2.99Å; S320-Q323 WeakPolarHBondContact OG-CG 3.19Å; S320-Q323 PolarHBondContact OG-OE1 3.36Å; Q323-Q326 PolarHBondContact O-N 3.01Å; Q323-L327 WeakPolarHBondContact O-CB 3.46Å; Q323-L327 PolarHBondContact O-N 2.74Å
324L73.3Confident58.3Low107 Ų10797.7 Ų97.756%0.5660%0.601SS**Hα-helixtrans-63.1-45.3174.1-16478.6000111.4S320 P321 Q326 L327 Y328S320-L324 PolarHBondContact O-N 3.48Å; S320-L324 VanDerWaalsContact O-N 3.15Å; P321-L324 PolarHBondContact O-N 3.07Å; L324-Q326 VanDerWaalsContact C-N 3.28Å; L324-Q326 PolarHBondContact O-N 3.49Å; L324-L327 PolarHBondContact O-N 3.24Å; L324-Y328 WeakPolarHBondContact O-CB 3.34Å; L324-Y328 PolarHBondContact O-N 3.28Å
325Q73Confident58.5Low128 Ų128101.8 Ų101.860%0.59861%0.611SS**Hα-helixtrans-58.3-40.4174.9-173.671.981.500111.9P321 L322 A329P321-Q325 WeakPolarHBondContact O-CB 3.31Å; P321-Q325 PolarHBondContact O-N 3.4Å; L322-Q325 PolarHBondContact O-N 2.96Å; Q325-A329 WeakPolarHBondContact O-CB 3.44Å; Q325-A329 PolarHBondContact O-N 3.09Å
326Q71.3Confident58.7Low138 Ų138104.9 Ų104.965%0.64561%0.608SS**Hα-helixtrans-77.3-35.4-177.9-165.8163.383.300112.7L322 Q323 L324 A329 A330L322-Q326 VanDerWaalsContact O-CB 3.31Å; L322-Q326 WeakPolarHBondContact O-CB 3.4Å; L322-Q326 PolarHBondContact O-N 2.67Å; Q323-Q326 PolarHBondContact O-N 3.01Å; L324-Q326 VanDerWaalsContact C-N 3.28Å; L324-Q326 PolarHBondContact O-N 3.49Å; Q326-A329 PolarHBondContact O-N 3.31Å; Q326-A330 WeakPolarHBondContact O-CB 2.97Å; Q326-A330 PolarHBondContact O-N 2.82Å
327L67.3Low58.3Low116 Ų116106.3 Ų106.361%0.60761%0.607SS**Hα-helixtrans-65.9-42.6172-156.785.6000111.1Q323 L324 A330 Q331Q323-L327 WeakPolarHBondContact O-CB 3.46Å; Q323-L327 PolarHBondContact O-N 2.74Å; L324-L327 PolarHBondContact O-N 3.24Å; L327-A330 PolarHBondContact O-N 2.99Å; L327-Q331 WeakPolarHBondContact O-CB 2.97Å; L327-Q331 PolarHBondContact O-N 3.42Å
328Y63.4Low57.4Low142 Ų142107.4 Ų107.456%0.55762%0.615SS**Hα-helixtrans-63.3-40.9174.9-176.2-111.4000112L324 Q331 L332L324-Y328 WeakPolarHBondContact O-CB 3.34Å; L324-Y328 PolarHBondContact O-N 3.28Å; Y328-Q331 PolarHBondContact O-N 3.34Å; Y328-L332 HydrophobicContact CD1-CD1 3.98Å; Y328-L332 HydrophobicContact CE1-CD1 3.59Å; Y328-L332 HydrophobicContact CE1-CG 4.47Å; Y328-L332 WeakPolarHBondContact O-CG 3.47Å; Y328-L332 PolarHBondContact O-N 3.39Å
329A63.8Low56.8Low53 Ų53109.6 Ų109.644%0.43861%0.612SS.*Hα-helixtrans-64-41173.300000112.6Q325 Q326 L332 A333Q325-A329 WeakPolarHBondContact O-CB 3.44Å; Q325-A329 PolarHBondContact O-N 3.09Å; Q326-A329 PolarHBondContact O-N 3.31Å; A329-L332 PolarHBondContact O-N 3.32Å; A329-A333 WeakPolarHBondContact O-CB 3.29Å; A329-A333 PolarHBondContact O-N 3.38Å
330A58.2Low56Low61 Ų61108.2 Ų108.250%0.50462%0.624SS.*Hα-helixtrans-64.2-39.4174.700000112Q326 L327 A333 S334Q326-A330 WeakPolarHBondContact O-CB 2.97Å; Q326-A330 PolarHBondContact O-N 2.82Å; L327-A330 PolarHBondContact O-N 2.99Å; A330-A333 PolarHBondContact O-N 3.07Å; A330-S334 PolarHBondContact O-N 3.36Å
331Q58.7Low54.4Low124 Ų124110.4 Ų110.458%0.57965%0.645SS**Hα-helixtrans-68-40.1177.2-165.2162.211.400111.8L327 Y328 S334 M335L327-Q331 WeakPolarHBondContact O-CB 2.97Å; L327-Q331 PolarHBondContact O-N 3.42Å; Y328-Q331 PolarHBondContact O-N 3.34Å; Q331-S334 PolarHBondContact O-N 3.31Å; Q331-S334 PolarHBondContact O-OG 2.81Å; Q331-M335 PolarHBondContact O-N 2.61Å
332L59.6Low53.3Low92 Ų92115.1 Ų115.148%0.48265%0.654SS.*Hα-helixtrans-63-39.2171-74.7171.3000112.6Y328 A329 S334 M335Y328-L332 HydrophobicContact CD1-CD1 3.98Å; Y328-L332 HydrophobicContact CE1-CD1 3.59Å; Y328-L332 HydrophobicContact CE1-CG 4.47Å; Y328-L332 WeakPolarHBondContact O-CG 3.47Å; Y328-L332 PolarHBondContact O-N 3.39Å; A329-L332 PolarHBondContact O-N 3.32Å; L332-S334 VanDerWaalsContact C-N 3.28Å; L332-S334 PolarHBondContact O-N 3.09Å; L332-M335 PolarHBondContact O-N 2.99Å
333A52Low51.9Low72 Ų72117 Ų11760%0.59566%0.661SS**Hα-helixtrans-63.1-34.6174.200000112.2A329 A330 M335A329-A333 WeakPolarHBondContact O-CB 3.29Å; A329-A333 PolarHBondContact O-N 3.38Å; A330-A333 PolarHBondContact O-N 3.07Å; A333-M335 VanDerWaalsContact C-N 3.28Å; A333-M335 PolarHBondContact O-N 2.66Å
334S44.1Very low50.4Low83 Ų83117.5 Ų117.558%0.5867%0.673SS**Hα-helixtrans-71.4-15.2177.876.40000115A330 Q331 L332A330-S334 PolarHBondContact O-N 3.36Å; Q331-S334 PolarHBondContact O-N 3.31Å; Q331-S334 PolarHBondContact O-OG 2.81Å; L332-S334 VanDerWaalsContact C-N 3.28Å; L332-S334 PolarHBondContact O-N 3.09Å
335M46.4Very low48.6Very low147 Ų147118.6 Ų118.672%0.72469%0.686SS**THydrogen-bonded Turntrans-90.7-2.5-179.7-71.1-167.670.500114.5Q331 L332 A333 V337Q331-M335 PolarHBondContact O-N 2.61Å; L332-M335 PolarHBondContact O-N 2.99Å; A333-M335 VanDerWaalsContact C-N 3.28Å; A333-M335 PolarHBondContact O-N 2.66Å; M335-V337 VanDerWaalsContact C-N 3.33Å; M335-V337 PolarHBondContact O-N 3.06Å
336Q45.8Very low46.7Very low170 Ų170120.4 Ų120.479%0.79470%0.699SS**  trans-8173.5177.1-74.1-79.536.200111.8
337V37.2Very low45.1Very low124 Ų124119.4 Ų119.475%0.75271%0.705SS**  trans-107112.4174.2-173.10000110.4M335M335-V337 VanDerWaalsContact C-N 3.33Å; M335-V337 PolarHBondContact O-N 3.06Å
338S36.4Very low43.2Very low103 Ų103122.6 Ų122.672%0.7272%0.716SS**  trans-63.8139.4176.1-58.10000112.2G340S338-G340 PolarHBondContact O-N 3.33Å
339P38.7Very low41.8Very low140 Ų140121 Ų12191%0.90972%0.723SS**SBendtrans-73.2100.1172.929.7-33000110.3
340G37.2Very low40Very low81 Ų81125.1 Ų125.184%0.83574%0.738SS**  trans169.325.4179.800000119.3S338S338-G340 PolarHBondContact O-N 3.33Å
341A32.1Very low38.6Very low95 Ų95128.9 Ų128.979%0.78575%0.749SS**  trans-127.9136.5176.800000112.2
342K32.4Very low37.2Very low211 Ų211128.8 Ų128.892%0.91776%0.757SS**PPolyproline II helixtrans-87.4130.6175.1-65.2179.9179.7179.80109.8
343M34.3Very low35.8Very low175 Ų175129.5 Ų129.586%0.86277%0.77SS**PPolyproline II helixtrans-82.2138.5175.6-69-68.2-74.800111.6
344P32.9Very low34.7Very low106 Ų106129.2 Ų129.269%0.68877%0.774SS**PPolyproline II helixtrans-82.1157.316534.8-33.6000111.4
345P36.1Very low34.7Very low129 Ų129131.4 Ų131.484%0.83879%0.786SS**PPolyproline II helixtrans-85.4154.7-179.734.4-35.2000113.6
346L33.5Very low34.2Very low166 Ų166131.6 Ų131.687%0.86979%0.789SS**  trans-122.2152.4166-161.468000108.1
347P38.1Very low33.3Very low118 Ų118128.7 Ų128.777%0.76679%0.787SS**  trans-72.4154.5-161-23.635.8000118.3
348Q26.7Very low34Very low182 Ų182127.9 Ų127.985%0.8579%0.785SS**  trans-30160.9148.5-92.8-174.118.300116.2
349P34.1Very low33.8Very low108 Ų108127.9 Ų127.970%0.70179%0.785SS**  -155.5-176.454.845.7-25000120.6
350L26.6Very low33.4Very low141 Ų141126.1 Ų126.174%0.73878%0.775SS**  trans81.2106.6161.1-64169.2000119.8
351N27.9Very low33.3Very low140 Ų140128.9 Ų128.975%0.74977%0.77SS**  46.2145.4121.6-52.7-4.7000119.9
352T28.2Very low33.2Very low122 Ų122131.9 Ų131.975%0.74877%0.765SS**  cis-160.2163.629.8-30.60000111.9
353S32.1Very low33.1Very low107 Ų107127.8 Ų127.875%0.74875%0.754SS**  trans52.4117.3152.257.80000121.3
354G27.9Very low32.7Very low66 Ų66124.9 Ų124.968%0.6874%0.742SS**  trans-86.5-147143.800000110.6
355P45Very low32.7Very low129 Ų129129.6 Ų129.684%0.83875%0.751SS**  cis-93.2-136.7-0.51210.7000110.9
356I34.8Very low32.4Very low151 Ų151128.2 Ų128.277%0.77474%0.744SS**  cis-148.9163.213.245.2169000112.6
357S26.3Very low32Very low108 Ų108125.2 Ų125.276%0.75574%0.737SS**  trans-115.2-156.6167.5-480000107.7
358P52.1Low31.5Very low108 Ų108125.4 Ų125.470%0.70174%0.742SS**  cis-141.9-164.8-8.934.5-10.2000115.1
359S32.4Very low31.5Very low103 Ų103121.9 Ų121.972%0.7274%0.737SS**  trans85153.5134.5850000119.6
360S31.7Very low31.9Very low102 Ų102122.2 Ų122.271%0.71374%0.739SS**  cis-163.5-176.63-138.70000117.4
361L33.1Very low32Very low139 Ų139122.9 Ų122.973%0.72874%0.742SS**  trans83.4148171.9-47-174.8000114.7
362K31.5Very low32.3Very low158 Ų158121.3 Ų121.369%0.68774%0.737SS**  cis-165.2166.9-9.7-116172.4176.1176.90107.3
363N28.9Very low32.5Very low126 Ų126123.3 Ų123.367%0.67474%0.739SS**  cis-123.8166.5-2.1-111.761.6000107.1
364D27.7Very low32.6Very low113 Ų113124.1 Ų124.160%0.60474%0.738SS**  cis88.567.820.1-50.8-49.2000117.6
365K32.7Very low32.7Very low206 Ų206127.6 Ų127.690%0.89674%0.735SS**  trans-161.2169138.3-126.669.7-178179.80114.1
366S28.1Very low32Very low99 Ų99128.1 Ų128.169%0.69273%0.726SS**  trans-147.5162.4-148.962.20000118.1
367S26.1Very low31.6Very low103 Ų103128.3 Ų128.372%0.7272%0.724SS**  trans61.5114.4139.561.40000122.5
368S26.9Very low31.6Very low123 Ų123126.4 Ų126.486%0.8672%0.721SS**  173.3163.5116.6440000113.5
369S28Very low30.5Very low107 Ų107127.7 Ų127.775%0.74873%0.727SS**  trans-103.6168.7176.4-45.60000111.2
370P42.5Very low30.3Very low116 Ų116130.5 Ų130.575%0.75373%0.729SS**  -116.8159.468.3-1.625.3000113.4
371I28.6Very low31.1Very low155 Ų155131.2 Ų131.280%0.79573%0.731SS**  67.2127.155.6-105.9178000112
372T33.6Very low31Very low106 Ų106131 Ų13165%0.6573%0.73SS**  cis-131.5-164.6-2.836.10000108.9
373Q33.3Very low30.9Very low165 Ų165130.1 Ų130.177%0.77173%0.733SS**  cis-170.7-177.3-9.8-114153-28.300105
374V34.2Very low30.9Very low123 Ų123131.5 Ų131.575%0.74574%0.739SS**  cis-168.1154.8-39.1131.70000103.9
375K30.1Very low30.9Very low140 Ų140131.1 Ų131.161%0.60975%0.746SS**  cis-136.2140.326.9-163.2163.2-167-51.70107.7
376E30.1Very low30.7Very low139 Ų139125.6 Ų125.665%0.6574%0.738SS**  56.4144.384.1-118.6-176.310700113.2
377E25.1Very low30.6Very low156 Ų156132.2 Ų132.273%0.72975%0.748SS**  cis-153.414318.7-172.2-170.5168.100112.7
378G27.4Very low31.3Very low67 Ų67132.2 Ų132.269%0.69175%0.746SS**  trans61.8163.6137.100000123.7
379T29.4Very low31.3Very low136 Ų136135 Ų13583%0.83474%0.742SS**  cis-156157.5-24.5-53.70000108.6
380Q26.6Very low31.3Very low161 Ų161135.6 Ų135.675%0.75274%0.741SS**  trans-71.2174.1167.1-115.2-165.535.600111.8
381P49.8Very low30.7Very low117 Ų117135.6 Ų135.676%0.7674%0.74SS**  cis-148.1-175.441.142.8-21.1000118.1
382L31.2Very low30.5Very low135 Ų135136.4 Ų136.471%0.70774%0.74SS**  trans-83.8141.8165.6-65.5154.3000111.3
383N29.1Very low30.1Very low139 Ų139138.9 Ų138.974%0.74375%0.746SS**  169157.6107.8-100.4-68.2000117.7
384L28.8Very low29.8Very low156 Ų156136 Ų13682%0.81774%0.739SS**  trans67.6113.4149.7-71.8167.2000123.1
385S27Very low29.6Very low105 Ų105139.2 Ų139.273%0.73474%0.743SS**  90.7106.5118.2-166.10000122.7
386A28.8Very low29.7Very low90 Ų90137.7 Ų137.774%0.74475%0.751SS**  trans68.5131.4134.100000123.4
387R27Very low30.6Very low237 Ų237137.2 Ų137.289%0.89476%0.759SS**  trans16.4151.6130.8-105.6-172.9176.3-168.71.1119.7
388P40.4Very low31Very low104 Ų104135.4 Ų135.468%0.67576%0.759SS**  cis-149.5-176.71644.1-23.3000118.5
389K27.2Very low31.2Very low181 Ų181137.5 Ų137.579%0.78776%0.763SS**  trans38.3122138.1-76.5-171.6172.7-170.70123.5
390T26.5Very low32.3Very low119 Ų119136.1 Ų136.173%0.7376%0.756SS**  69137.7125.664.40000124.2
391T29.5Very low32.8Very low117 Ų117135 Ų13572%0.71876%0.761SS**  trans91.595146-52.50000120.6
392E25.7Very low31.9Very low172 Ų172134 Ų13480%0.80476%0.757SS**  56.5143.2128.8-58.8-161135.800126.5
393M24.1Very low31.7Very low158 Ų158134 Ų13478%0.77876%0.757SS**  trans105.8113.6131.6-98.3-179.471.400123.3
394V28.4Very low31.6Very low103 Ų103134.4 Ų134.462%0.62476%0.759SS**  trans56.6123.4150.8-96.50000121.4
395K29Very low31.9Very low191 Ų191136.4 Ų136.483%0.8376%0.761SS**  -171.1172.366.2-108.3134.9-171.8178.80114.5
396S31.7Very low33Very low109 Ų109137.4 Ų137.476%0.76277%0.765SS**  trans-86.9177.4-170.8-350000116.2
397P49.3Very low33Very low128 Ų128136.1 Ų136.183%0.83176%0.761SS**  -140.2-151.693.138.3-21.3000115.5
398T33.5Very low33.1Very low119 Ų119130.1 Ų130.173%0.7376%0.755SS**  trans-138.6143.9-138.550.10000119.5
399S33.1Very low32.6Very low111 Ų111134.9 Ų134.978%0.77677%0.765SS**  trans66.8175.6135.9-58.50000119.5
400P51.4Low32.6Very low106 Ų106131.4 Ų131.469%0.68876%0.764SS**  cis-140.3171.24.642.5-23.9000119.9
401T36.3Very low32.9Very low138 Ų138131.1 Ų131.185%0.84777%0.767SS**  trans65.3140.8155.129.70000119.8
402S32.1Very low34.2Very low97 Ų97130.7 Ų130.768%0.67877%0.766SS**  cis-156.8-164.3955.20000110
403N26.2Very low34.3Very low133 Ų133129.4 Ų129.471%0.71176%0.764SS**  cis-161.6172.89.9-143.1-2.5000115.3
404L28.5Very low34.6Very low149 Ų149126.3 Ų126.378%0.7876%0.759SS**  trans31118.6155.6-70.8170.1000124.5
405F34.8Very low35Very low197 Ų197128.4 Ų128.486%0.86477%0.766SS**  trans-85.6-168.7146.8-85.4-81.6000110.3
406P50Low35.2Very low126 Ų126127.1 Ų127.182%0.81877%0.766SS**  cis-136.7-166.79.443.3-22.5000114.8
407G28.9Very low35.2Very low63 Ų63124.9 Ų124.965%0.64976%0.76SS**  cis158.8167.7-14.900000115.6
408S29.1Very low34.5Very low111 Ų111129.5 Ų129.578%0.77677%0.767SS**  trans49.8127.8154.857.70000124.8
409K29.1Very low34.4Very low205 Ų205127.7 Ų127.789%0.89177%0.773SS**  trans162145.2142.9-87.2146.7-164.7169.90107.7
410S27.8Very low34.3Very low108 Ų108126.4 Ų126.476%0.75578%0.777SS**  cis173.7140.4-11.845.30000106
411S33.3Very low33.6Very low113 Ų113129.3 Ų129.379%0.7979%0.785SS**  trans-69.7-177.2169.9-42.80000111.5
412P55.7Low34Very low108 Ų108128.4 Ų128.470%0.70178%0.781SS**  cis-144.9177.7844.8-26000118.1
413N28.2Very low34.1Very low144 Ų144128.9 Ų128.977%0.7778%0.784SS**  trans-179.7140.2131-92.8-18.5000108.9
414S31.3Very low34.9Very low94 Ų94127.8 Ų127.866%0.65779%0.785SS**  cis74.5129.948.1-60.80000112.3
415L35.9Very low35.1Very low147 Ų147129 Ų12977%0.7779%0.791SS**  cis-164165.28.9-115.2165.8000111
416I33.2Very low34.8Very low164 Ų164123.4 Ų123.484%0.84179%0.789SS**  trans68.8134.5160.4-62.7154.2000117.2
417G31.3Very low34Very low62 Ų62121.7 Ų121.764%0.63979%0.794SS**  cis158.6162.8-10.200000113.7
418K34.7Very low34Very low224 Ų224122.4 Ų122.497%0.97480%0.801SS**  trans50.8127.8166.5-54.9178.8-177.8179.20117.7
419G32.2Very low34.3Very low82 Ų82126.3 Ų126.385%0.84581%0.812SS**  cis155.1170.1200000110.1
420G30.7Very low34.5Very low84 Ų84119.8 Ų119.887%0.86680%0.803SS**  trans120140.1172.600000115.5
421I37Very low35Very low166 Ų166125.8 Ų125.885%0.85181%0.809SS**  trans-123.1157.8168.219.8175.1000106.2
422P45.2Very low35Very low119 Ų119127.1 Ų127.177%0.77381%0.807SS**  cis-133.7-177.723.641.3-23.7000116.4
423S32.7Very low34.3Very low107 Ų107129.6 Ų129.675%0.74881%0.813SS**  trans-56.9168163.1-280000112.4
424P44.5Very low34.6Very low111 Ų111131.6 Ų131.672%0.72182%0.823SS**  cis-151.2-170.341.544.6-22.9000118.2
425L31.3Very low34.7Very low175 Ų175131.7 Ų131.792%0.91682%0.824SS**  trans66.7155.3176.2-82.683.2000117.3
426G29.9Very low34.7Very low79 Ų79130.3 Ų130.381%0.81482%0.821SS**  trans122.1105.417600000113.2
427G31.3Very low34.5Very low89 Ų89131.2 Ų131.292%0.91883%0.827SS**  trans-86.4145.7173.600000112.3
428G30.9Very low34.9Very low78 Ų78135.7 Ų135.780%0.80484%0.836SS**  trans-168.390177.800000112.1G430G428-G430 PolarHBondContact O-N 3.28Å
429L34.5Very low34.7Very low194 Ų194130.7 Ų130.7100%1.01683%0.829SS**  trans-73.9120.2176.3-73.4168.3000110.2
430G33.7Very low35.2Very low67 Ų67133.5 Ų133.569%0.69183%0.83SS**  trans-149.696.7-178.400000113.1G428G428-G430 PolarHBondContact O-N 3.28Å
431R38.2Very low35.4Very low235 Ų235134.4 Ų134.489%0.88783%0.829SS**  trans66.6106.9171.6-52.2171.568.6-163.11.7115.8
432D32.8Very low35.8Very low141 Ų141133.5 Ų133.575%0.75483%0.825SS**  -177.292.4122.5-94-11.9000110.6
433I40.3Very low35.7Very low160 Ų160137.5 Ų137.582%0.82183%0.831SS**  trans-136.958.9175.1-44.1-178.9000110
434L34Very low36.5Very low185 Ų185135.4 Ų135.497%0.96983%0.827SS**SBendtrans-136.315168.5-75.4179.8000113.1
435S35.4Very low37Very low97 Ų97135.7 Ų135.768%0.67882%0.822SS**SBendtrans-126.812.4-17149.90000114.2
436T34.5Very low38.3Very low117 Ų117134.3 Ų134.372%0.71881%0.811SS**  trans-141.750.5-173.7-35.40000113.8
437L30Very low40.3Very low183 Ų183136.4 Ų136.496%0.95880%0.804SS**SBendtrans-122.235.1167.8-73.4178.1000112.3
438N38.9Very low42.4Very low157 Ų157136.2 Ų136.284%0.8479%0.785SS**  trans-143.563.4177.7-151.61.6000112.2
439S30.7Very low44.7Very low118 Ų118136.3 Ų136.383%0.82577%0.769SS**SBendtrans-155.5134.4165.5-82.70000111.7A441S439-A441 PolarHBondContact O-N 3.32Å
440T42.3Very low46.6Very low141 Ų141131.5 Ų131.587%0.86574%0.743SS**  trans-73.7114.1-175.1-53.60000112
441A34.5Very low48.9Very low103 Ų103135.7 Ų135.785%0.85174%0.742SS**  trans-127.260.7175.900000111.6S439S439-A441 PolarHBondContact O-N 3.32Å
442L46.8Very low50.7Low147 Ų147127 Ų12777%0.7772%0.72SS**  trans-129.161.4-172.4-168.279.7000112.9
443F43.3Very low53.1Low203 Ų203124 Ų12489%0.8970%0.704SS**SBendtrans-147.3-3.7167.9-91.7-65.8000116.2
444G47.8Very low55Low64 Ų64122.1 Ų122.166%0.6669%0.691SS**SBendtrans-84.8-37.8-179.200000115.5Q446G444-Q446 PolarHBondContact O-N 2.59Å
445D55.4Low57.6Low117 Ų117119.3 Ų119.363%0.62667%0.673SS**Hα-helixtrans-82.4-8.8-164.6-86.8-33.5000116.2D447 T448 V449D445-D447 VanDerWaalsContact C-N 3.35Å; D445-D447 PolarHBondContact O-N 2.82Å; D445-T448 PolarHBondContact O-N 3.31Å; D445-V449 WeakPolarHBondContact O-CB 3.23Å; D445-V449 WeakPolarHBondContact O-CG2 3.34Å; D445-V449 PolarHBondContact O-N 3.46Å
446Q59.6Low59.7Low145 Ų145117 Ų11768%0.67866%0.66SS**Hα-helixtrans-63.7-40.5-173.6-170.3166.130.800112.3G444 M450G444-Q446 PolarHBondContact O-N 2.59Å; Q446-M450 WeakPolarHBondContact O-CB 3.24Å; Q446-M450 PolarHBondContact O-N 3.29Å
447D71.9Confident61.9Low123 Ų123118.9 Ų118.966%0.65865%0.654SS**Hα-helixtrans-72.8-37.3175.6-75.9-40.2000112.3D445 V449 M450 K451D445-D447 VanDerWaalsContact C-N 3.35Å; D445-D447 PolarHBondContact O-N 2.82Å; D447-V449 PolarHBondContact O-N 2.88Å; D447-M450 PolarHBondContact O-N 2.77Å; D447-K451 WeakPolarHBondContact O-CB 3.48Å; D447-K451 PolarHBondContact O-N 3.43Å
448T74.9Confident64.6Low86 Ų86117.6 Ų117.653%0.52864%0.641SS.*Hα-helixtrans-58.3-48.6174-49.30000110.9D445 K451 A452D445-T448 PolarHBondContact O-N 3.31Å; T448-K451 PolarHBondContact O-N 3.19Å; T448-A452 WeakPolarHBondContact O-CB 3.19Å; T448-A452 PolarHBondContact O-N 3.17Å
449V78.3Confident66.8Low79 Ų79115.2 Ų115.248%0.47963%0.626SS.*Hα-helixtrans-64.1-40.4175.9170.20000111.1D445 D447 A452 I453D445-V449 WeakPolarHBondContact O-CB 3.23Å; D445-V449 WeakPolarHBondContact O-CG2 3.34Å; D445-V449 PolarHBondContact O-N 3.46Å; D447-V449 PolarHBondContact O-N 2.88Å; V449-A452 PolarHBondContact O-N 3.18Å; V449-I453 HydrophobicContact CG1-CD1 3.69Å; V449-I453 HydrophobicContact CG1-CG1 4.45Å; V449-I453 WeakPolarHBondContact O-CB 3.47Å; V449-I453 VanDerWaalsContact O-CG1 3.24Å; V449-I453 WeakPolarHBondContact O-CG1 3.21Å; V449-I453 PolarHBondContact O-N 3.42Å
450M76.3Confident69Low93 Ų93118.1 Ų118.146%0.45862%0.619SS.*Hα-helixtrans-66-39.9177.9-156.8-178-44.500112.2Q446 D447 I453 Q454Q446-M450 WeakPolarHBondContact O-CB 3.24Å; Q446-M450 PolarHBondContact O-N 3.29Å; D447-M450 PolarHBondContact O-N 2.77Å; M450-I453 PolarHBondContact O-N 3.22Å; M450-Q454 WeakPolarHBondContact O-CG 3.16Å; M450-Q454 PolarHBondContact O-N 3.16Å
451K80.8Confident71Confident156 Ų156117 Ų11768%0.67860%0.604SS**Hα-helixtrans-61.1-50.7172.4-115.9179.4177.8178.30111.5D447 T448 I453 Q454 E455D447-K451 WeakPolarHBondContact O-CB 3.48Å; D447-K451 PolarHBondContact O-N 3.43Å; T448-K451 PolarHBondContact O-N 3.19Å; K451-I453 VanDerWaalsContact C-N 3.26Å; K451-I453 PolarHBondContact O-N 3.24Å; K451-Q454 PolarHBondContact O-N 2.98Å; K451-E455 WeakPolarHBondContact O-CB 3.5Å; K451-E455 PolarHBondContact O-N 3.02Å
452A76.5Confident73.2Confident51 Ų51117.2 Ų117.242%0.42159%0.587SS.*Hα-helixtrans-59.2-37.417800000112.1T448 V449 E455 A456T448-A452 WeakPolarHBondContact O-CB 3.19Å; T448-A452 PolarHBondContact O-N 3.17Å; V449-A452 PolarHBondContact O-N 3.18Å; A452-E455 PolarHBondContact O-N 2.7Å; A452-A456 VanDerWaalsContact O-CB 3.22Å; A452-A456 WeakPolarHBondContact O-CB 3.34Å; A452-A456 PolarHBondContact O-N 3.04Å
453I83.4Confident74.8Confident80 Ų80114.4 Ų114.441%0.4157%0.572SS.*Hα-helixtrans-70.6-28.7175.5-74.1170.3000112.9V449 M450 K451 R457V449-I453 HydrophobicContact CG1-CD1 3.69Å; V449-I453 HydrophobicContact CG1-CG1 4.45Å; V449-I453 WeakPolarHBondContact O-CB 3.47Å; V449-I453 VanDerWaalsContact O-CG1 3.24Å; V449-I453 WeakPolarHBondContact O-CG1 3.21Å; V449-I453 PolarHBondContact O-N 3.42Å; M450-I453 PolarHBondContact O-N 3.22Å; K451-I453 VanDerWaalsContact C-N 3.26Å; K451-I453 PolarHBondContact O-N 3.24Å; I453-R457 VanDerWaalsContact CG2-NH2 3.31Å; I453-R457 PolarHBondContact O-N 3.34Å; I453-R457 PolarHBondContact O-NE 3.07Å
454Q80.7Confident76.5Confident120 Ų120110.9 Ų110.956%0.56156%0.558SS**Hα-helixtrans-76.9-42.5171.5-74.1-178.1-2.700111.5M450 K451 R457 K458M450-Q454 WeakPolarHBondContact O-CG 3.16Å; M450-Q454 PolarHBondContact O-N 3.16Å; K451-Q454 PolarHBondContact O-N 2.98Å; Q454-R457 WeakPolarHBondContact O-CB 3.23Å; Q454-R457 PolarHBondContact O-N 2.89Å; Q454-R457 VanDerWaalsContact O-N 3.12Å; Q454-K458 PolarHBondContact O-N 3.24Å
455E88.1Confident77.7Confident125 Ų125116.4 Ų116.458%0.58456%0.559SS**Hα-helixtrans-63.3-45177.4-177.9166.3-138.300112.1K451 A452 R457 K458 M459K451-E455 WeakPolarHBondContact O-CB 3.5Å; K451-E455 PolarHBondContact O-N 3.02Å; A452-E455 PolarHBondContact O-N 2.7Å; E455-R457 PolarHBondContact O-N 2.76Å; E455-K458 WeakPolarHBondContact O-CB 3.45Å; E455-K458 PolarHBondContact O-N 3.31Å; E455-K458 VanDerWaalsContact O-N 3.09Å; E455-M459 HydrophobicContact CG-CE 4.31Å; E455-M459 PolarHBondContact O-N 2.92Å
456A79Confident78.6Confident49 Ų49115 Ų11541%0.40555%0.549SS..Hα-helixtrans-64-22.3173.400000113.5A452 R460A452-A456 VanDerWaalsContact O-CB 3.22Å; A452-A456 WeakPolarHBondContact O-CB 3.34Å; A452-A456 PolarHBondContact O-N 3.04Å; A456-R460 WeakPolarHBondContact O-CB 3.45Å; A456-R460 PolarHBondContact O-N 3.43Å
457R81Confident78.9Confident156 Ų156114.4 Ų114.459%0.58955%0.546SS*.Hα-helixtrans-78.2-45.2168.4-83.4-173.8-99.3-165-5.5111.5I453 Q454 E455 M459 R460 E461I453-R457 VanDerWaalsContact CG2-NH2 3.31Å; I453-R457 PolarHBondContact O-N 3.34Å; I453-R457 PolarHBondContact O-NE 3.07Å; Q454-R457 WeakPolarHBondContact O-CB 3.23Å; Q454-R457 PolarHBondContact O-N 2.89Å; Q454-R457 VanDerWaalsContact O-N 3.12Å; E455-R457 PolarHBondContact O-N 2.76Å; R457-M459 PolarHBondContact O-N 3.47Å; R457-R460 WeakPolarHBondContact O-CB 3.47Å; R457-R460 PolarHBondContact O-N 2.97Å; R457-R460 VanDerWaalsContact O-N 3.08Å; R457-E461 PolarHBondContact O-N 3.43Å
458K87.4Confident78.5Confident157 Ų157114.5 Ų114.568%0.68355%0.546SS*.Hα-helixtrans-58.4-45.9177.3-170.2-176.7177.1-170.60112.2Q454 E455 R460 E461 Q462Q454-K458 PolarHBondContact O-N 3.24Å; E455-K458 WeakPolarHBondContact O-CB 3.45Å; E455-K458 PolarHBondContact O-N 3.31Å; E455-K458 VanDerWaalsContact O-N 3.09Å; K458-R460 VanDerWaalsContact C-N 3.33Å; K458-R460 PolarHBondContact O-N 3.06Å; K458-E461 PolarHBondContact O-N 2.97Å; K458-Q462 PolarHBondContact O-N 3.27Å
459M83.2Confident77.7Confident107 Ų107116.9 Ų116.953%0.52755%0.551SS.*Hα-helixtrans-61.4-38.6173.5-81.5-164.1-82.100112.6E455 R457 Q462 I463E455-M459 HydrophobicContact CG-CE 4.31Å; E455-M459 PolarHBondContact O-N 2.92Å; R457-M459 PolarHBondContact O-N 3.47Å; M459-Q462 PolarHBondContact O-N 3.09Å; M459-I463 WeakPolarHBondContact O-CG1 3.36Å; M459-I463 PolarHBondContact O-N 3.31Å
460R77.1Confident76.7Confident178 Ų178119.8 Ų119.867%0.67256%0.559SS**Hα-helixtrans-65.6-40.1178.4-170.3-178.3-59.9-93.4-2.3112A456 R457 K458 Q464A456-R460 WeakPolarHBondContact O-CB 3.45Å; A456-R460 PolarHBondContact O-N 3.43Å; R457-R460 WeakPolarHBondContact O-CB 3.47Å; R457-R460 PolarHBondContact O-N 2.97Å; R457-R460 VanDerWaalsContact O-N 3.08Å; K458-R460 VanDerWaalsContact C-N 3.33Å; K458-R460 PolarHBondContact O-N 3.06Å; R460-Q464 WeakPolarHBondContact O-CB 3.49Å; R460-Q464 PolarHBondContact O-N 2.85Å; R460-Q464 VanDerWaalsContact O-N 3.11Å
461E84.3Confident75.3Confident118 Ų118122.1 Ų122.155%0.55157%0.568SS**Hα-helixtrans-67-38.6173.2-71.6-175.4-170.200112.4R457 K458 Q464 R465R457-E461 PolarHBondContact O-N 3.43Å; K458-E461 PolarHBondContact O-N 2.97Å; E461-Q464 PolarHBondContact O-N 2.86Å; E461-R465 WeakPolarHBondContact O-CG 3.5Å; E461-R465 PolarHBondContact O-N 3.36Å
462Q82.4Confident73.7Confident107 Ų107119.7 Ų119.750%0.556%0.56SS.*Hα-helixtrans-61.5-52.9175.5179.2175.7-24.800111.6K458 M459 Q464 R465 E466K458-Q462 PolarHBondContact O-N 3.27Å; M459-Q462 PolarHBondContact O-N 3.09Å; Q462-Q464 PolarHBondContact O-N 2.97Å; Q462-R465 WeakPolarHBondContact O-CA 3.45Å; Q462-R465 WeakPolarHBondContact O-CB 3.17Å; Q462-R465 PolarHBondContact O-N 3.36Å; Q462-E466 WeakPolarHBondContact CG-OE1 3.49Å; Q462-E466 PolarHBondContact NE2-OE1 2.98Å; Q462-E466 PolarHBondContact O-N 3.35Å
463I79.6Confident72.1Confident88 Ų88123.1 Ų123.145%0.45157%0.567SS.*Hα-helixtrans-58.3-33.4177.6-67.6166000111.1M459 Q467M459-I463 WeakPolarHBondContact O-CG1 3.36Å; M459-I463 PolarHBondContact O-N 3.31Å; I463-Q467 WeakPolarHBondContact O-CG 3.44Å; I463-Q467 PolarHBondContact O-N 2.77Å
464Q78.6Confident70.2Confident129 Ų129121.2 Ų121.260%0.60357%0.567SS**Hα-helixtrans-75.5-27.3176.8-168.7157.7-3.300113.4R460 E461 Q462 L468R460-Q464 WeakPolarHBondContact O-CB 3.49Å; R460-Q464 PolarHBondContact O-N 2.85Å; R460-Q464 VanDerWaalsContact O-N 3.11Å; E461-Q464 PolarHBondContact O-N 2.86Å; Q462-Q464 PolarHBondContact O-N 2.97Å; Q464-L468 PolarHBondContact O-N 3.47Å
465R74.2Confident68.7Low181 Ų181119.5 Ų119.568%0.68356%0.561SS**Hα-helixtrans-72.1-42.1168.4-70.1179.5-170.3-170.24.8111.8E461 Q462 L468 Q469E461-R465 WeakPolarHBondContact O-CG 3.5Å; E461-R465 PolarHBondContact O-N 3.36Å; Q462-R465 WeakPolarHBondContact O-CA 3.45Å; Q462-R465 WeakPolarHBondContact O-CB 3.17Å; Q462-R465 PolarHBondContact O-N 3.36Å; R465-L468 WeakPolarHBondContact O-CB 3.25Å; R465-L468 PolarHBondContact O-N 2.88Å; R465-L468 VanDerWaalsContact O-N 3.13Å; R465-Q469 PolarHBondContact O-N 3.19Å
466E72.8Confident66.4Low86 Ų86117 Ų11740%0.40255%0.552SS.*Hα-helixtrans-62.1-42.4176.5-71.6165.1-178.200111.4Q462 L468 Q469 H470Q462-E466 WeakPolarHBondContact CG-OE1 3.49Å; Q462-E466 PolarHBondContact NE2-OE1 2.98Å; Q462-E466 PolarHBondContact O-N 3.35Å; E466-L468 VanDerWaalsContact C-N 3.32Å; E466-L468 PolarHBondContact O-N 3.47Å; E466-Q469 PolarHBondContact O-N 2.81Å; E466-H470 PolarHBondContact O-N 3.47Å
467Q67.3Low64.7Low133 Ų133117.7 Ų117.762%0.62156%0.558SS**Hα-helixtrans-63.6-33.2172.5-76.7-177.246.100113.3I463 H471I463-Q467 WeakPolarHBondContact O-CG 3.44Å; I463-Q467 PolarHBondContact O-N 2.77Å; Q467-H471 PolarHBondContact O-N 3.23Å; Q467-H471 VanDerWaalsContact O-N 3.09Å
468L63.4Low62.8Low126 Ų126118.1 Ų118.166%0.6656%0.564SS**Hα-helixtrans-68.6-42.6173.8-114.769.6000112Q464 R465 E466 H471 Q472Q464-L468 PolarHBondContact O-N 3.47Å; R465-L468 WeakPolarHBondContact O-CB 3.25Å; R465-L468 PolarHBondContact O-N 2.88Å; R465-L468 VanDerWaalsContact O-N 3.13Å; E466-L468 VanDerWaalsContact C-N 3.32Å; E466-L468 PolarHBondContact O-N 3.47Å; L468-H471 PolarHBondContact O-N 2.92Å; L468-Q472 PolarHBondContact O-N 3.2Å
469Q57.3Low60.5Low135 Ų135116.8 Ų116.863%0.63156%0.563SS**Hα-helixtrans-62.9-43.7174.7-79.3-171.2-21.200112.1R465 E466 H471 Q472 Q473R465-Q469 PolarHBondContact O-N 3.19Å; E466-Q469 PolarHBondContact O-N 2.81Å; Q469-H471 VanDerWaalsContact C-N 3.27Å; Q469-H471 PolarHBondContact O-N 2.88Å; Q469-Q472 PolarHBondContact O-N 3.39Å; Q469-Q473 PolarHBondContact O-N 3.48Å
470H56.6Low58.3Low141 Ų141115.6 Ų115.665%0.65357%0.565SS**Hα-helixtrans-62.5-32.2175.7-98.4-65.2000113.2E466 G474E466-H470 PolarHBondContact O-N 3.47Å; H470-G474 PolarHBondContact O-N 2.89Å; H470-G474 VanDerWaalsContact O-N 3.17Å
471H48.7Very low56.6Low141 Ų141110.9 Ų110.965%0.65357%0.565SS**Hα-helixtrans-67.6-39.9175.1-166.462.2000112.2Q467 L468 Q469 I475Q467-H471 PolarHBondContact O-N 3.23Å; Q467-H471 VanDerWaalsContact O-N 3.09Å; L468-H471 PolarHBondContact O-N 2.92Å; Q469-H471 VanDerWaalsContact C-N 3.27Å; Q469-H471 PolarHBondContact O-N 2.88Å; H471-I475 WeakPolarHBondContact O-CG1 3.15Å
472Q46.5Very low54.3Low105 Ų105113 Ų11349%0.49158%0.579SS.*Hα-helixtrans-69.4-52.7177.8-169.86056.900111.6L468 Q469 G474 I475 D476L468-Q472 PolarHBondContact O-N 3.2Å; Q469-Q472 PolarHBondContact O-N 3.39Å; Q472-G474 PolarHBondContact O-N 3.22Å; Q472-I475 WeakPolarHBondContact O-CB 3.43Å; Q472-I475 PolarHBondContact O-N 3.48Å; Q472-D476 WeakPolarHBondContact CG-OD2 3.34Å; Q472-D476 PolarHBondContact NE2-OD2 2.94Å; Q472-D476 PolarHBondContact O-N 3.12Å
473Q43.6Very low52.1Low123 Ų123112.8 Ų112.858%0.57559%0.59SS**Hα-helixtrans-59.2-32.5-179.6-71.2-177.2-9.800113.1Q469 I475 A477Q469-Q473 PolarHBondContact O-N 3.48Å; Q473-I475 PolarHBondContact O-N 3.21Å; Q473-A477 WeakPolarHBondContact O-CB 3.29Å; Q473-A477 PolarHBondContact O-N 3.22Å; Q473-A477 VanDerWaalsContact O-N 3.08Å
474G42.4Very low49.8Very low41 Ų41113.6 Ų113.642%0.42360%0.603SS.*Hα-helixtrans-67.4-12.9176.600000115.3H470 Q472H470-G474 PolarHBondContact O-N 2.89Å; H470-G474 VanDerWaalsContact O-N 3.17Å; Q472-G474 PolarHBondContact O-N 3.22Å
475I48.4Very low47.7Very low83 Ų83115 Ų11543%0.42662%0.62SS.*Hα-helixtrans-96.4-53.5175.4-59166.5000109.3H471 Q472 Q473 A477 K478H471-I475 WeakPolarHBondContact O-CG1 3.15Å; Q472-I475 WeakPolarHBondContact O-CB 3.43Å; Q472-I475 PolarHBondContact O-N 3.48Å; Q473-I475 PolarHBondContact O-N 3.21Å; I475-A477 PolarHBondContact O-N 3.43Å; I475-K478 PolarHBondContact O-N 3.35Å; I475-K478 VanDerWaalsContact O-N 3.16Å
476D39.8Very low45.5Very low73 Ų73109.5 Ų109.539%0.3962%0.619SS.*Hα-helixtrans-67.9-38.1-173.2-59.8-49.7000112.7Q472 K478 L479 S480Q472-D476 WeakPolarHBondContact CG-OD2 3.34Å; Q472-D476 PolarHBondContact NE2-OD2 2.94Å; Q472-D476 PolarHBondContact O-N 3.12Å; D476-K478 PolarHBondContact O-N 3.04Å; D476-K478 VanDerWaalsContact O-N 3.09Å; D476-L479 PolarHBondContact O-N 3.47Å; D476-S480 PolarHBondContact O-N 2.96Å; D476-S480 PolarHBondContact O-OG 3.39Å
477A44.5Very low43.6Very low64 Ų64112.6 Ų112.653%0.52964%0.638SS.*Hα-helixtrans-60.8-21.9176.100000113.5Q473 I475 A481Q473-A477 WeakPolarHBondContact O-CB 3.29Å; Q473-A477 PolarHBondContact O-N 3.22Å; Q473-A477 VanDerWaalsContact O-N 3.08Å; I475-A477 PolarHBondContact O-N 3.43Å; A477-A481 WeakPolarHBondContact O-CB 3.43Å
478K40.3Very low41.9Very low164 Ų164112.5 Ų112.571%0.71364%0.642SS**Hα-helixtrans-85.4-11.6176.5-68.1-172.2175.8-175.40114I475 D476I475-K478 PolarHBondContact O-N 3.35Å; I475-K478 VanDerWaalsContact O-N 3.16Å; D476-K478 PolarHBondContact O-N 3.04Å; D476-K478 VanDerWaalsContact O-N 3.09Å
479L38.8Very low40.3Very low129 Ų129114.2 Ų114.268%0.67565%0.646SS**Hα-helixtrans-100.2-37.2175.1-65.2174.2000111.4D476 A481D476-L479 PolarHBondContact O-N 3.47Å; L479-A481 VanDerWaalsContact C-N 3.34Å; L479-A481 PolarHBondContact O-N 2.97Å
480S38.3Very low38.8Very low82 Ų82112.3 Ų112.357%0.57365%0.647SS**Hα-helixtrans-67.1-30.3177.6-55.50000114D476 L482 S483D476-S480 PolarHBondContact O-N 2.96Å; D476-S480 PolarHBondContact O-OG 3.39Å; S480-L482 PolarHBondContact O-N 3.17Å; S480-S483 PolarHBondContact O-N 3.07Å
481A40.5Very low37.6Very low80 Ų80116.1 Ų116.166%0.66166%0.655SS**THydrogen-bonded Turntrans-68.4-1-173.100000116A477 L479A477-A481 WeakPolarHBondContact O-CB 3.43Å; L479-A481 VanDerWaalsContact C-N 3.34Å; L479-A481 PolarHBondContact O-N 2.97Å
482L36.6Very low36.7Very low162 Ų162115.4 Ų115.485%0.84866%0.66SS**THydrogen-bonded Turntrans-119.76.2-178.8-68.6174.4000114S480S480-L482 PolarHBondContact O-N 3.17Å
483S36.4Very low35.9Very low103 Ų103116.8 Ų116.872%0.7267%0.671SS**SBendtrans-118.4-2.1-165.1-164.10000116.9S480S480-S483 PolarHBondContact O-N 3.07Å
484S31.5Very low35.4Very low104 Ų104118.7 Ų118.773%0.72768%0.678SS**  trans-151.977.6-172.464.90000115.9
485V34.1Very low34.9Very low158 Ų158121.7 Ų121.796%0.95868%0.681SS**  trans-138.6112.7149.2-176.80000108
486G28.2Very low34.2Very low66 Ų66127.2 Ų127.268%0.6870%0.696SS**  trans178.290-179.200000115.2
487L32.7Very low33.9Very low152 Ų152129.8 Ų129.880%0.79671%0.714SS**  trans61.2122.8164.2-57.4165000115.8
488N30.4Very low33.1Very low131 Ų131135 Ų13570%0.70173%0.727SS**  -166.2155.965.2-90.1-79.9000113.8
489H31.1Very low32.5Very low161 Ų161134.9 Ų134.975%0.74573%0.727SS**  trans13.1147.3142.7-57.497.8000121
490C25.7Very low31.9Very low95 Ų95133.5 Ų133.564%0.64272%0.72SS**  cis-168.7155.421.9-139.70000114.5
491R30.2Very low31.5Very low222 Ų222135.3 Ų135.384%0.83873%0.733SS**  trans66.5155.1158.5-63.8165.3-178.4-88.4-0.8117
492V29.8Very low31.1Very low125 Ų125137.4 Ų137.476%0.75873%0.732SS**  cis-129.7163.915.1171.30000111.3
493D30.3Very low30.8Very low135 Ų135132.7 Ų132.772%0.72272%0.722SS**  trans-23.8155.4164.9-61.9-107.9000118.1
494K32.5Very low30.5Very low162 Ų162136 Ų13670%0.70473%0.726SS**  cis-160.7178.525.3-133.2174.1-177.8-139.60107.8
495E32.3Very low30.3Very low104 Ų104139.1 Ų139.149%0.48673%0.729SS.*  cis-142.3153.91.9-98.1-63.6-172.300105.7
496R33.1Very low30Very low199 Ų199139.7 Ų139.775%0.75173%0.725SS**  39.7113.795.9-163.2-169.4-50.3-99.1-2114.2
497V34Very low29.9Very low128 Ų128140.1 Ų140.178%0.77673%0.73SS**  cis-139.3179.715.3-111.80000109.5
498H28.4Very low29.8Very low173 Ų173142.9 Ų142.980%0.80174%0.736SS**  cis-131.6-139.818-163.1-107.2000113.2
499F27.6Very low29.7Very low161 Ų161144.9 Ų144.971%0.70675%0.745SS**  trans-152.2138.6-159.2-158.7-109.1000112
500D27Very low29.6Very low100 Ų100140.5 Ų140.554%0.53574%0.744SS.*  trans35133.5157.8-72.6-123.3000125.3
501S28.2Very low29.7Very low121 Ų121145.1 Ų145.185%0.84676%0.756SS**  -141.6121.4109.5-171.50000112.1
502I33.6Very low29.8Very low124 Ų124141.7 Ų141.764%0.63675%0.75SS**  trans-63.4154.9164.7-65.2161.8000109.2
503G30.1Very low30Very low62 Ų62139.5 Ų139.564%0.63975%0.752SS**  cis133.568.9-0.700000113.6
504H29.9Very low30.2Very low174 Ų174140.8 Ų140.881%0.80675%0.752SS**  trans-151148.3-179.7-77.5-76.6000109.6
505H27.4Very low30.2Very low168 Ų168141.3 Ų141.378%0.77876%0.76SS**  cis-160.4157.2-3.348.7-85.5000113.4
506L27.2Very low30Very low170 Ų170139.7 Ų139.789%0.8977%0.771SS**  trans-23.3142.1159.5-17870.7000119.1
507G26.3Very low29.8Very low76 Ų76138.1 Ų138.178%0.78477%0.772SS**  trans-179.6124.8159.600000114.5
508K30.4Very low29.6Very low210 Ų210141.7 Ų141.791%0.91377%0.771SS**  trans-146.3121.6-173.4-168.4-167.7-173.2-1710112.7
509L28.1Very low29.8Very low172 Ų172139.1 Ų139.190%0.90177%0.768SS**  trans-174.7142.1160.8-100.5145.4000106.7
510G28.8Very low30.5Very low70 Ų70138.6 Ų138.672%0.72277%0.771SS**  102.9136.670.600000108.1
511E29.3Very low30.5Very low191 Ų191140.4 Ų140.489%0.89378%0.781SS**  cis-152.6176.81.2-165.1171.7124.500109.4
512E32.3Very low31.2Very low151 Ų151141.9 Ų141.971%0.70678%0.778SS**  trans-67.2142.5175.8-79-116.8135.300113.7K514E512-K514 VanDerWaalsContact OE2-CE 3.27Å; E512-K514 WeakPolarHBondContact OE2-CE 3.38Å; E512-K514 IonicContact OE2-NZ 2.67Å; E512-K514 PolarHBondContact OE2-NZ 2.7Å
513G32.3Very low31.1Very low78 Ų78142.3 Ų142.380%0.80479%0.787SS**  trans-152.7128.9171.200000111.7
514K35Very low31.4Very low163 Ų163148.6 Ų148.671%0.70979%0.791SS**  trans-113.5169.7-167.6-68.9175.8174.4110.10112.9E512E512-K514 VanDerWaalsContact OE2-CE 3.27Å; E512-K514 WeakPolarHBondContact OE2-CE 3.38Å; E512-K514 IonicContact OE2-NZ 2.67Å; E512-K514 PolarHBondContact OE2-NZ 2.7Å
515I32.3Very low32.3Very low173 Ų173145.6 Ų145.689%0.88779%0.787SS**  trans58.3106.4156.854.1168.7000120.8
516G29.2Very low32.7Very low69 Ų69143.2 Ų143.271%0.71178%0.776SS**  119.7122.3103.900000120
517H28.3Very low33.1Very low166 Ų166142 Ų14277%0.76977%0.771SS**  8.6130.7130-95.2124.3000116.2
518R29.4Very low33.8Very low203 Ų203147.3 Ų147.377%0.76678%0.78SS**  171.1154.75548.1-145.4164.9-98.29114
519V34Very low34.1Very low120 Ų120145 Ų14573%0.72778%0.778SS**  trans57.8133.1152.6-66.80000123.6
520I40.8Very low34.1Very low149 Ų149140.2 Ų140.276%0.76477%0.77SS**  26.1141.7129.1-8.9145000117.6
521D26.8Very low34.1Very low139 Ų139140.8 Ų140.874%0.74378%0.775SS**  cis-161.2-177.837.7-151.5-11000115.7
522L43.6Very low34.2Very low151 Ų151136.9 Ų136.979%0.79178%0.776SS**  trans-76.9162.1-173.9-64.5153.7000115.8
523T32.7Very low34.1Very low134 Ų134133.3 Ų133.382%0.82278%0.779SS**  178.8114.7128.7-74.10000112.7
524R36.4Very low34Very low193 Ų193134.9 Ų134.973%0.72878%0.778SS**  trans31.7174.9150.1-95-169.9161.1175.8-9.2122.4E526R524-E526 HydrophobicContact CG-CG 4.28Å; R524-E526 VanDerWaalsContact CZ-CD 3.41Å; R524-E526 IonicContact CZ-OE1 3.43Å; R524-E526 VanDerWaalsContact CZ-OE1 3.26Å; R524-E526 IonicContact CZ-OE2 3.57Å; R524-E526 IonicContact NE-OE1 3.4Å; R524-E526 PolarHBondContact NE-OE1 2.91Å; R524-E526 IonicContact NE-OE2 3.54Å; R524-E526 IonicContact NH2-OE1 2.68Å; R524-E526 PolarHBondContact NH2-OE1 3.05Å; R524-E526 IonicContact NH2-OE2 2.76Å; R524-E526 PolarHBondContact NH2-OE2 3.4Å
525P48.1Very low34Very low111 Ų111134 Ų13472%0.72179%0.787SS**  cis-119.2145.5-724.8-2.2000115
526E36.2Very low34Very low119 Ų119133.7 Ų133.756%0.55678%0.782SS**  93.4154.381.8-58.7-79.1115.500115.2R524R524-E526 HydrophobicContact CG-CG 4.28Å; R524-E526 VanDerWaalsContact CZ-CD 3.41Å; R524-E526 IonicContact CZ-OE1 3.43Å; R524-E526 VanDerWaalsContact CZ-OE1 3.26Å; R524-E526 IonicContact CZ-OE2 3.57Å; R524-E526 IonicContact NE-OE1 3.4Å; R524-E526 PolarHBondContact NE-OE1 2.91Å; R524-E526 IonicContact NE-OE2 3.54Å; R524-E526 IonicContact NH2-OE1 2.68Å; R524-E526 PolarHBondContact NH2-OE1 3.05Å; R524-E526 IonicContact NH2-OE2 2.76Å; R524-E526 PolarHBondContact NH2-OE2 3.4Å
527D34.5Very low33.9Very low144 Ų144135 Ų13577%0.7779%0.785SS**  trans68.791.1159.7-54.4-29.8000122.4
528L42Very low34.2Very low187 Ų187137.7 Ų137.798%0.97979%0.789SS**  -169.7159.1114.4-100.9165.9000111.4
529D35.8Very low34.3Very low163 Ų163134.1 Ų134.187%0.87279%0.789SS**  trans-118.4161.2-156.1-170.726.1000115.5
530G29.3Very low34.3Very low71 Ų71137.3 Ų137.373%0.73279%0.794SS**  trans96129.3171.900000115.3
531G27.6Very low34.2Very low81 Ų81140.8 Ų140.884%0.83580%0.797SS**  cis169.647.10.200000113.9G533G531-G533 PolarHBondContact O-N 2.98Å
532A32.4Very low34.2Very low110 Ų110141.5 Ų141.591%0.90980%0.796SS**  trans-82.599.1-171.900000113.7
533G29.2Very low34.1Very low75 Ų75139.7 Ų139.777%0.77380%0.796SS**  trans-84.9112.2-17600000116.1G531G531-G533 PolarHBondContact O-N 2.98Å
534S31.2Very low34.7Very low112 Ų112144.3 Ų144.378%0.78380%0.798SS**  trans5195.8149.7-173.30000119.8
535T35.2Very low35Very low144 Ų144138.6 Ų138.688%0.88380%0.8SS**  trans-113.9137.7138.853.10000109.5A537T535-A537 PolarHBondContact O-N 3.29Å
536E31.3Very low34.9Very low167 Ų167141.8 Ų141.878%0.7880%0.798SS**  trans-59.2134.5-165.4-63.1-175.3112.900115R538E536-R538 VanDerWaalsContact C-N 3.26Å; E536-R538 PolarHBondContact O-N 3.16Å
537A27.5Very low35.1Very low95 Ų95143.3 Ų143.379%0.78581%0.81SS**  trans-68.881.3164.900000110.9T535 V539T535-A537 PolarHBondContact O-N 3.29Å; A537-V539 PolarHBondContact O-N 3.43Å
538R33.8Very low35.8Very low223 Ų223144.1 Ų144.184%0.84281%0.814SS**  trans-57.3101.8164.9-73.8-175-175.5158.35.3108.4E536 F540E536-R538 VanDerWaalsContact C-N 3.26Å; E536-R538 PolarHBondContact O-N 3.16Å; R538-F540 VanDerWaalsContact C-N 3.27Å; R538-F540 PolarHBondContact O-N 3.05Å
539V32Very low36.3Very low128 Ų128142.8 Ų142.878%0.77681%0.808SS**  trans-64.888-179.2-1750000109.4A537 R541A537-V539 PolarHBondContact O-N 3.43Å; V539-R541 PolarHBondContact O-N 3.18Å
540F34.5Very low37.4Very low187 Ų187142.8 Ų142.882%0.8280%0.802SS**  trans-62.8100176.9-168.4-95000107.9R538 E542R538-F540 VanDerWaalsContact C-N 3.27Å; R538-F540 PolarHBondContact O-N 3.05Å; F540-E542 HydrophobicContact CD1-CB 4.4Å; F540-E542 PolarHBondContact O-N 2.63Å
541R38Very low39.8Very low222 Ų222144.8 Ų144.884%0.83880%0.803SS**  trans-70.681.1174.7-83.6-170.3175.3-122.30.6108.9V539 S543V539-R541 PolarHBondContact O-N 3.18Å; R541-S543 PolarHBondContact O-N 2.88Å; R541-S543 VanDerWaalsContact O-N 3.12Å; R541-S543 PolarHBondContact O-OG 2.73Å
542E27.4Very low42.5Very low154 Ų154148 Ų14872%0.7280%0.796SS**  trans-49.6122169.8178.9158.8-137.600109.2F540 R544F540-E542 HydrophobicContact CD1-CB 4.4Å; F540-E542 PolarHBondContact O-N 2.63Å; E542-R544 PolarHBondContact O-N 3.34Å
543S40.4Very low45.4Very low113 Ų113145 Ų14579%0.7976%0.763SS**  trans-82.266.9-166.8-76.80000111.1R541 G545R541-S543 PolarHBondContact O-N 2.88Å; R541-S543 VanDerWaalsContact O-N 3.12Å; R541-S543 PolarHBondContact O-OG 2.73Å; S543-G545 PolarHBondContact O-N 3.28Å; S543-G545 VanDerWaalsContact O-N 3.14Å
544R45Very low48.5Very low231 Ų231149.7 Ų149.787%0.87276%0.763SS**  trans-30.8109.9-173.6-66.7-172-177.9-179.50.5114E542E542-R544 PolarHBondContact O-N 3.34Å
545G44.2Very low51.6Low74 Ų74151.5 Ų151.576%0.76375%0.753SS**SBendtrans88.350.4156.500000117S543S543-G545 PolarHBondContact O-N 3.28Å; S543-G545 VanDerWaalsContact O-N 3.14Å
546R45.9Very low54.5Low178 Ų178146.7 Ų146.767%0.67272%0.723SS**  trans-141128.7149.5-75.7-163.8167.5-179.2-8110.9N548R546-N548 PolarHBondContact O-N 2.98Å
547N40.4Very low57.7Low151 Ų151142.5 Ų142.581%0.80771%0.705SS**  trans-63.8128-174.6-48.65.8000109.7N549N547-N549 PolarHBondContact O-N 3.28Å
548N47.7Very low61Low160 Ų160141.8 Ų141.886%0.85669%0.688SS**THydrogen-bonded Turntrans-85.428.1-165.2-160.733.9000114.6R546R546-N548 PolarHBondContact O-N 2.98Å
549N53.2Low64.1Low159 Ų159131.2 Ų131.285%0.8565%0.648SS**THydrogen-bonded Turntrans-111.50.1-167.9-62.2-0.3000113.9N547N547-N549 PolarHBondContact O-N 3.28Å
550E59.3Low67.2Low163 Ų163127.6 Ų127.676%0.76262%0.622SS**SBendtrans-140.7121.5169.8-166.1-175.2178.500109.3H552E550-H552 PolarHBondContact O-N 2.88Å
551P78.7Confident70.3Confident114 Ų114123.3 Ų123.374%0.7461%0.606SS**  trans-69.3121.4-17426.8-33.7000110.9I553P551-I553 PolarHBondContact O-N 3.44Å
552H85.7Confident73.1Confident148 Ų148113.4 Ų113.469%0.68557%0.57SS**  trans-62.6105.5-180176.132.2000111.5E550 K554E550-H552 PolarHBondContact O-N 2.88Å; H552-K554 PolarHBondContact O-N 3.45Å
553I92.2Very high76.5Confident46 Ų46106.4 Ų106.424%0.23654%0.537CS..  trans-53.6109.3176.8-59167.3000109.8P551 H613 Y617 Y620P551-I553 PolarHBondContact O-N 3.44Å; I553-H613 WeakPolarHBondContact CG2-CE1 3.33Å; I553-Y617 HydrophobicContact CD1-CD1 3.58Å; I553-Y617 HydrophobicContact CD1-CE1 4.14Å; I553-Y617 HydrophobicContact CD1-CG 4.02Å; I553-Y617 HydrophobicContact CG1-CD1 3.95Å; I553-Y617 HydrophobicContact CG1-CE1 4.03Å; I553-Y617 HydrophobicContact CG1-CG 4.41Å; I553-Y617 HydrophobicContact CG2-CD1 4.27Å; I553-Y617 HydrophobicContact CG2-CD2 3.81Å; I553-Y617 HydrophobicContact CG2-CE2 4.07Å; I553-Y617 HydrophobicContact CG2-CG 3.92Å; I553-Y620 HydrophobicContact CB-CD2 4.04Å; I553-Y620 HydrophobicContact CB-CE2 4.45Å; I553-Y620 HydrophobicContact CG2-CD2 3.52Å; I553-Y620 HydrophobicContact CG2-CE2 4.01Å; I553-Y620 HydrophobicContact CG2-CG 4.27Å
554K94.5Very high79.2Confident174 Ų174101 Ų10176%0.75750%0.5SS*.PPolyproline II helixtrans-74.6149.6174.6-63.7175.6-176.2170.60109.5H552 H613H552-K554 PolarHBondContact O-N 3.45Å; K554-H613 PolarHBondContact O-CE1 2.88Å
555R96.3Very high81.7Confident151 Ų15195 Ų9557%0.5748%0.48SS*.PPolyproline II helixtrans-60.7153.9174.9-44.7-172.3-161.9-158.25111.2Y622R555-Y622 VanDerWaalsContact NH1-CZ 3.27Å; R555-Y622 PolarHBondContact NH1-OH 2.97Å; R555-Y622 VanDerWaalsContact NH2-CZ 3.33Å; R555-Y622 PolarHBondContact NH2-OH 3.35Å
556P97Very high84.1Confident42 Ų4294 Ų9427%0.27346%0.457SS..PPolyproline II helixtrans-60.3154.6160.128.7-33.3000110L609 H613P556-L609 HydrophobicContact CB-CB 4.49Å; P556-H613 HydrophobicContact CB-CB 4.01Å; P556-H613 HydrophobicContact CG-CB 4.15Å
557M97.4Very high86.6Confident80 Ų8086.2 Ų86.239%0.39443%0.428SS..PPolyproline II helixtrans-73.2144.7175-65-172.2-65.200110.2M561 V562 K565 L609M557-M561 HydrophobicContact CB-CB 4Å; M557-M561 HydrophobicContact CG-CB 4.35Å; M557-V562 HydrophobicContact CB-CG2 3.87Å; M557-V562 HydrophobicContact CE-CG2 4.33Å; M557-K565 HydrophobicContact CE-CD 4.36Å; M557-L609 HydrophobicContact CB-CD1 4.41Å; M557-L609 HydrophobicContact CE-CD1 4.08Å
558N98.1Very high89.3Confident79 Ų7982.2 Ų82.242%0.42240%0.402SS..PPolyproline II helixtrans-85.2165.9167.270.81000110.4F560 M561 V562 Q606N558-F560 VanDerWaalsContact C-N 3.27Å; N558-F560 PolarHBondContact O-N 2.91Å; N558-M561 CarbonylContact O-C 3.49Å; N558-M561 WeakPolarHBondContact O-CA 3.45Å; N558-M561 PolarHBondContact O-N 3.06Å; N558-M561 VanDerWaalsContact OD1-CB 3.28Å; N558-M561 WeakPolarHBondContact OD1-CB 2.83Å; N558-M561 WeakPolarHBondContact OD1-CG 3.26Å; N558-M561 PolarHBondContact OD1-N 3.43Å; N558-V562 PolarHBondContact O-N 3.11Å; N558-Q606 VanDerWaalsContact CB-OE1 3.28Å
559A97.7Very high91.7Very high2 Ų280.8 Ų80.82%0.01738%0.384CS..Hα-helixtrans-51.7-45.1-17500000112.7M561 V562 W563 W591 Y602 Y603 Q606A559-M561 PolarHBondContact O-N 3.44Å; A559-V562 PolarHBondContact O-N 3.17Å; A559-W563 WeakPolarHBondContact O-CB 3.37Å; A559-W563 PolarHBondContact O-N 3.5Å; A559-W591 HydrophobicContact CB-CH2 3.92Å; A559-W591 HydrophobicContact CB-CZ2 4.13Å; A559-Y602 WeakPolarHBondContact CA-O 3.38Å; A559-Y602 WeakPolarHBondContact CB-O 3.32Å; A559-Y603 HydrophobicContact CB-CD1 3.62Å; A559-Y603 HydrophobicContact CB-CE1 3.88Å; A559-Y603 HydrophobicContact CB-CG 4.13Å; A559-Q606 HydrophobicContact CB-CB 4.23Å
560F98.3Very high93.8Very high52 Ų5279 Ų7923%0.22837%0.369CS..Hα-helixtrans-58-44.3173.3174.2-97.8000112.7N558 W563 A564 L587 W591N558-F560 VanDerWaalsContact C-N 3.27Å; N558-F560 PolarHBondContact O-N 2.91Å; F560-W563 HydrophobicContact CD2-CE3 4.01Å; F560-W563 HydrophobicContact CD2-CZ3 4.08Å; F560-W563 HydrophobicContact CE2-CE3 4.1Å; F560-W563 AromaticContact CE2-CZ3 3.73Å; F560-W563 HydrophobicContact CE2-CZ3 3.73Å; F560-A564 HydrophobicContact CD1-CB 4.47Å; F560-A564 HydrophobicContact CE1-CB 4.17Å; F560-A564 HydrophobicContact CE2-CB 4.49Å; F560-A564 HydrophobicContact CZ-CB 4.19Å; F560-A564 WeakPolarHBondContact O-CA 3.34Å; F560-A564 WeakPolarHBondContact O-CB 3.34Å; F560-A564 PolarHBondContact O-N 2.95Å; F560-L587 HydrophobicContact CE2-CB 4.48Å; F560-L587 HydrophobicContact CZ-CB 4.31Å; F560-W591 HydrophobicContact CB-CD2 4.45Å; F560-W591 HydrophobicContact CD2-CB 3.73Å; F560-W591 AromaticContact CD2-CD1 3.87Å; F560-W591 AromaticContact CD2-CD2 3.93Å; F560-W591 HydrophobicContact CD2-CD2 3.93Å; F560-W591 AromaticContact CD2-CG 3.55Å; F560-W591 HydrophobicContact CD2-CG 3.55Å; F560-W591 HydrophobicContact CE2-CB 3.85Å; F560-W591 HydrophobicContact CE2-CG 4.19Å
561M98.2Very high95.5Very high96 Ų9672.2 Ų72.247%0.47334%0.338SS..Hα-helixtrans-72.1-28.5179.1-72.2-73.9-175.200113.3M557 N558 A559 K565M557-M561 HydrophobicContact CB-CB 4Å; M557-M561 HydrophobicContact CG-CB 4.35Å; N558-M561 CarbonylContact O-C 3.49Å; N558-M561 WeakPolarHBondContact O-CA 3.45Å; N558-M561 PolarHBondContact O-N 3.06Å; N558-M561 VanDerWaalsContact OD1-CB 3.28Å; N558-M561 WeakPolarHBondContact OD1-CB 2.83Å; N558-M561 WeakPolarHBondContact OD1-CG 3.26Å; N558-M561 PolarHBondContact OD1-N 3.43Å; A559-M561 PolarHBondContact O-N 3.44Å; M561-K565 PolarHBondContact O-N 2.83Å
562V98Very high96.3Very high15 Ų1570 Ų709%0.09132%0.319CS..Hα-helixtrans-64.2-58.9170177.50000108.9M557 N558 A559 A564 K565 Y602 E605 L609M557-V562 HydrophobicContact CB-CG2 3.87Å; M557-V562 HydrophobicContact CE-CG2 4.33Å; N558-V562 PolarHBondContact O-N 3.11Å; A559-V562 PolarHBondContact O-N 3.17Å; V562-A564 PolarHBondContact O-N 3.47Å; V562-K565 VanDerWaalsContact O-CB 3.22Å; V562-K565 WeakPolarHBondContact O-CB 3.39Å; V562-K565 PolarHBondContact O-N 3.26Å; V562-Y602 HydrophobicContact CG1-CD1 4.01Å; V562-E605 HydrophobicContact CG1-CB 4.28Å; V562-E605 HydrophobicContact CG1-CG 3.64Å; V562-E605 HydrophobicContact CG2-CG 4.24Å; V562-L609 HydrophobicContact CG2-CD1 3.73Å
563W98.2Very high96.8Very high7 Ų770.6 Ų70.63%0.02732%0.322CS..Hα-helixtrans-56.9-48.3178.5170.683.3000112.9A559 F560 K565 D566 E567 L587 R590 W591 M594 Y602A559-W563 WeakPolarHBondContact O-CB 3.37Å; A559-W563 PolarHBondContact O-N 3.5Å; F560-W563 HydrophobicContact CD2-CE3 4.01Å; F560-W563 HydrophobicContact CD2-CZ3 4.08Å; F560-W563 HydrophobicContact CE2-CE3 4.1Å; F560-W563 AromaticContact CE2-CZ3 3.73Å; F560-W563 HydrophobicContact CE2-CZ3 3.73Å; W563-K565 PolarHBondContact O-N 2.87Å; W563-D566 PolarHBondContact O-N 3.28Å; W563-E567 HydrophobicContact CD2-CG 4.12Å; W563-E567 HydrophobicContact CG-CG 4.41Å; W563-E567 HydrophobicContact CZ2-CB 4.38Å; W563-E567 HydrophobicContact CZ2-CG 3.9Å; W563-E567 PolarHBondContact O-N 3.07Å; W563-L587 HydrophobicContact CH2-CB 4.2Å; W563-L587 HydrophobicContact CH2-CD2 3.73Å; W563-L587 VanDerWaalsContact CH2-O 3.23Å; W563-L587 WeakPolarHBondContact CH2-O 3.48Å; W563-L587 HydrophobicContact CZ3-CB 3.92Å; W563-L587 HydrophobicContact CZ3-CD2 3.82Å; W563-L587 HydrophobicContact CZ3-CG 4.46Å; W563-L587 VanDerWaalsContact CZ3-O 3.29Å; W563-L587 WeakPolarHBondContact CZ3-O 3.32Å; W563-R590 HydrophobicContact CH2-CB 3.96Å; W563-R590 HydrophobicContact CH2-CG 4.2Å; W563-R590 HydrophobicContact CZ2-CB 4.16Å; W563-R590 HydrophobicContact CZ2-CG 3.86Å; W563-W591 HydrophobicContact CB-CE3 4.07Å; W563-W591 HydrophobicContact CB-CZ3 3.7Å; W563-W591 AromaticContact CD2-CE3 3.56Å; W563-W591 HydrophobicContact CD2-CE3 3.56Å; W563-W591 HydrophobicContact CD2-CZ3 4.08Å; W563-W591 HydrophobicContact CE3-CB 4.16Å; W563-W591 HydrophobicContact CE3-CD2 4.36Å; W563-W591 AromaticContact CE3-CE3 3.7Å; W563-W591 HydrophobicContact CE3-CE3 3.7Å; W563-W591 HydrophobicContact CE3-CZ3 4.5Å; W563-W591 AromaticContact CG-CE3 3.73Å; W563-W591 HydrophobicContact CG-CE3 3.73Å; W563-W591 AromaticContact CG-CZ3 3.73Å; W563-W591 HydrophobicContact CG-CZ3 3.73Å; W563-W591 HydrophobicContact CH2-CB 3.93Å; W563-W591 HydrophobicContact CZ3-CB 3.7Å; W563-W591 HydrophobicContact CZ3-CE3 4.39Å; W563-M594 HydrophobicContact CD2-SD 4.37Å; W563-M594 HydrophobicContact CZ2-SD 3.61Å; W563-M594 PolarHBondContact NE1-SD 3.47Å; W563-Y602 HydrophobicContact CB-CD1 3.64Å; W563-Y602 HydrophobicContact CB-CD2 4.3Å; W563-Y602 HydrophobicContact CB-CE1 3.87Å; W563-Y602 HydrophobicContact CB-CG 3.87Å; W563-Y602 AromaticContact CD1-CE1 3.98Å; W563-Y602 AromaticContact CD1-CE2 3.7Å; W563-Y602 AromaticContact CD1-CZ 3.6Å; W563-Y602 HydrophobicContact CG-CD1 4.49Å; W563-Y602 HydrophobicContact CG-CE1 4.36Å; W563-Y602 HydrophobicContact CG-CE2 4.47Å
564A97.9Very high97Very high0 Ų071.6 Ų71.60%034%0.337CS..Hα-helixtrans-68.2-14-178.700000113.7F560 V562 R568 L587F560-A564 HydrophobicContact CD1-CB 4.47Å; F560-A564 HydrophobicContact CE1-CB 4.17Å; F560-A564 HydrophobicContact CE2-CB 4.49Å; F560-A564 HydrophobicContact CZ-CB 4.19Å; F560-A564 WeakPolarHBondContact O-CA 3.34Å; F560-A564 WeakPolarHBondContact O-CB 3.34Å; F560-A564 PolarHBondContact O-N 2.95Å; V562-A564 PolarHBondContact O-N 3.47Å; A564-R568 WeakPolarHBondContact O-CB 3.5Å; A564-R568 PolarHBondContact O-N 2.7Å; A564-R568 VanDerWaalsContact O-N 3.09Å; A564-L587 HydrophobicContact CB-CD1 4.14Å
565K96.6Very high96.9Very high105 Ų10569.2 Ų69.246%0.45733%0.327SS..Hα-helixtrans-63-46.4174.8175.3-177.8154.4-940111M557 M561 V562 W563M557-K565 HydrophobicContact CE-CD 4.36Å; M561-K565 PolarHBondContact O-N 2.83Å; V562-K565 VanDerWaalsContact O-CB 3.22Å; V562-K565 WeakPolarHBondContact O-CB 3.39Å; V562-K565 PolarHBondContact O-N 3.26Å; W563-K565 PolarHBondContact O-N 2.87Å
566D95.9Very high96.8Very high53 Ų5366.5 Ų66.528%0.28333%0.33SS..Hα-helixtrans-95.5-34.2-171.3-60.2-59.6000110.7W563 R568 R569 K570W563-D566 PolarHBondContact O-N 3.28Å; D566-R568 PolarHBondContact O-N 3.1Å; D566-R569 WeakPolarHBondContact O-CB 3.45Å; D566-R569 PolarHBondContact O-N 2.98Å; D566-R569 VanDerWaalsContact O-N 3.07Å; D566-R569 IonicContact OD1-CZ 3.36Å; D566-R569 IonicContact OD1-NH1 2.69Å; D566-R569 PolarHBondContact OD1-NH1 2.7Å; D566-R569 IonicContact OD1-NH2 3.18Å; D566-R569 PolarHBondContact OD1-NH2 2.69Å; D566-K570 PolarHBondContact O-N 2.83Å
567E97.2Very high96.6Very high14 Ų1472 Ų727%0.06536%0.357CS..Hα-helixtrans-65-35.5169.4-70.4-66.2123.300113.4W563 R569 K570 I571 L587 R590W563-E567 HydrophobicContact CD2-CG 4.12Å; W563-E567 HydrophobicContact CG-CG 4.41Å; W563-E567 HydrophobicContact CZ2-CB 4.38Å; W563-E567 HydrophobicContact CZ2-CG 3.9Å; W563-E567 PolarHBondContact O-N 3.07Å; E567-R569 PolarHBondContact O-N 3.44Å; E567-K570 PolarHBondContact O-N 2.9Å; E567-K570 WeakPolarHBondContact OE1-CD 3.4Å; E567-K570 WeakPolarHBondContact OE1-CE 3.39Å; E567-K570 IonicContact OE1-NZ 2.71Å; E567-K570 PolarHBondContact OE1-NZ 2.92Å; E567-I571 WeakPolarHBondContact O-CG1 3.36Å; E567-I571 PolarHBondContact O-N 2.95Å; E567-L587 HydrophobicContact CB-CD2 3.48Å; E567-L587 VanDerWaalsContact CB-CD2 3.48Å; E567-R590 IonicContact OE2-CZ 2.73Å; E567-R590 IonicContact OE2-NE 2.63Å; E567-R590 IonicContact OE2-NH1 2.7Å; E567-R590 PolarHBondContact OE2-NH1 3.01Å
568R97.7Very high96.5Very high67 Ų6771.1 Ų71.125%0.25335%0.352SS..Hα-helixtrans-61.1-35.7169.9177174-77.4135.5-6.2111.6A564 D566 L572 N580 I583 S584 L587A564-R568 WeakPolarHBondContact O-CB 3.5Å; A564-R568 PolarHBondContact O-N 2.7Å; A564-R568 VanDerWaalsContact O-N 3.09Å; D566-R568 PolarHBondContact O-N 3.1Å; R568-L572 HydrophobicContact CG-CD1 3.94Å; R568-L572 HydrophobicContact CG-CG 4.48Å; R568-L572 WeakPolarHBondContact O-CB 3.3Å; R568-L572 WeakPolarHBondContact O-CG 3.36Å; R568-L572 PolarHBondContact O-N 3.25Å; R568-N580 PolarHBondContact NE-ND2 3.48Å; R568-I583 HydrophobicContact CB-CG2 4.5Å; R568-I583 HydrophobicContact CG-CG2 4.18Å; R568-S584 PolarHBondContact NH2-OG 2.95Å; R568-L587 HydrophobicContact CB-CD1 3.89Å
569R96.9Very high96.4Very high130 Ų13073.1 Ų73.149%0.49136%0.359SS..Hα-helixtrans-68-44.5178.2-163.8-176.1-52.5103.522110.8D566 E567 I571 L572 Q573D566-R569 WeakPolarHBondContact O-CB 3.45Å; D566-R569 PolarHBondContact O-N 2.98Å; D566-R569 VanDerWaalsContact O-N 3.07Å; D566-R569 IonicContact OD1-CZ 3.36Å; D566-R569 IonicContact OD1-NH1 2.69Å; D566-R569 PolarHBondContact OD1-NH1 2.7Å; D566-R569 IonicContact OD1-NH2 3.18Å; D566-R569 PolarHBondContact OD1-NH2 2.69Å; E567-R569 PolarHBondContact O-N 3.44Å; R569-I571 VanDerWaalsContact C-N 3.34Å; R569-I571 PolarHBondContact O-N 2.72Å; R569-L572 PolarHBondContact O-N 3.04Å; R569-Q573 VanDerWaalsContact O-CB 3.31Å; R569-Q573 WeakPolarHBondContact O-CB 3.23Å; R569-Q573 PolarHBondContact O-N 3.3Å
570K97.1Very high96.2Very high120 Ų12076.5 Ų76.552%0.52238%0.377SS..Hα-helixtrans-57.7-44.2174.5-64176.5-169.61720112.2D566 E567 Q573 A574D566-K570 PolarHBondContact O-N 2.83Å; E567-K570 PolarHBondContact O-N 2.9Å; E567-K570 WeakPolarHBondContact OE1-CD 3.4Å; E567-K570 WeakPolarHBondContact OE1-CE 3.39Å; E567-K570 IonicContact OE1-NZ 2.71Å; E567-K570 PolarHBondContact OE1-NZ 2.92Å; K570-Q573 PolarHBondContact O-N 3.21Å; K570-A574 PolarHBondContact O-N 3.1Å; K570-A574 VanDerWaalsContact O-N 3.09Å
571I95.8Very high96.1Very high22 Ų2277.3 Ų77.311%0.11339%0.389CS..Hα-helixtrans-67.2-40.4177.7-63.1168.1000111.5E567 R569 Q573 A574 F575 I583 I586 L587E567-I571 WeakPolarHBondContact O-CG1 3.36Å; E567-I571 PolarHBondContact O-N 2.95Å; R569-I571 VanDerWaalsContact C-N 3.34Å; R569-I571 PolarHBondContact O-N 2.72Å; I571-Q573 VanDerWaalsContact C-N 3.32Å; I571-A574 PolarHBondContact O-N 3.35Å; I571-F575 HydrophobicContact CG2-CD2 4.47Å; I571-F575 PolarHBondContact O-N 3.43Å; I571-I583 HydrophobicContact CB-CG2 4.06Å; I571-I583 HydrophobicContact CD1-CG2 3.92Å; I571-I583 HydrophobicContact CG2-CB 4.39Å; I571-I583 HydrophobicContact CG2-CD1 4Å; I571-I583 HydrophobicContact CG2-CG1 3.87Å; I571-I583 HydrophobicContact CG2-CG2 3.91Å; I571-I586 HydrophobicContact CD1-CB 4.46Å; I571-I586 HydrophobicContact CD1-CG2 3.92Å; I571-L587 HydrophobicContact CD1-CD2 3.76Å; I571-L587 HydrophobicContact CD1-CG 4Å
572L95.8Very high96Very high67 Ų6775.8 Ų75.835%0.35138%0.382SS..Hα-helixtrans-68.4-28.3174.3-76.3169000113.3R568 R569 F575 P576 I583R568-L572 HydrophobicContact CG-CD1 3.94Å; R568-L572 HydrophobicContact CG-CG 4.48Å; R568-L572 WeakPolarHBondContact O-CB 3.3Å; R568-L572 WeakPolarHBondContact O-CG 3.36Å; R568-L572 PolarHBondContact O-N 3.25Å; R569-L572 PolarHBondContact O-N 3.04Å; L572-F575 CarbonylContact O-C 3.58Å; L572-P576 WeakPolarHBondContact O-CA 3.34Å; L572-I583 HydrophobicContact CD2-CD1 3.46Å; L572-I583 VanDerWaalsContact CD2-CD1 3.46Å; L572-I583 HydrophobicContact CG-CD1 3.62Å
573Q96.3Very high96Very high160 Ų16075 Ų7575%0.74838%0.378SS*.Hα-helixtrans-72.9-37.9176.9-175.3177.23.100111.7R569 K570 I571R569-Q573 VanDerWaalsContact O-CB 3.31Å; R569-Q573 WeakPolarHBondContact O-CB 3.23Å; R569-Q573 PolarHBondContact O-N 3.3Å; K570-Q573 PolarHBondContact O-N 3.21Å; I571-Q573 VanDerWaalsContact C-N 3.32Å
574A95.3Very high95.9Very high67 Ų6776.7 Ų76.755%0.55439%0.391SS*.Hα-helixtrans-79.2-3117400000113.2K570 I571K570-A574 PolarHBondContact O-N 3.1Å; K570-A574 VanDerWaalsContact O-N 3.09Å; I571-A574 PolarHBondContact O-N 3.35Å
575F93.4Very high95.9Very high124 Ų12483.5 Ų83.554%0.54442%0.42SS..  trans-140.179.8-175.4-52.1-76.1000110.7I571 L572 D577 M578I571-F575 HydrophobicContact CG2-CD2 4.47Å; I571-F575 PolarHBondContact O-N 3.43Å; L572-F575 CarbonylContact O-C 3.58Å; F575-D577 PolarHBondContact O-N 3.34Å; F575-M578 HydrophobicContact CB-CB 3.74Å; F575-M578 HydrophobicContact CB-CE 4.31Å; F575-M578 HydrophobicContact CG-CE 4.47Å; F575-M578 WeakPolarHBondContact O-CB 3.44Å; F575-M578 PolarHBondContact O-N 3.28Å; F575-M578 VanDerWaalsContact O-N 3.09Å
576P93.3Very high96Very high95 Ų9582.4 Ų82.462%0.61742%0.418SS*.THydrogen-bonded Turntrans-60.9-39.7-173.321.3-32.5000113.6L572 M578L572-P576 WeakPolarHBondContact O-CA 3.34Å; P576-M578 PolarHBondContact O-N 3.42Å
577D94.2Very high96.1Very high158 Ų15879.9 Ų79.985%0.84541%0.405SS*.THydrogen-bonded Turntrans-78.71.5179.1-61.4-49.7000114F575 H579F575-D577 PolarHBondContact O-N 3.34Å; D577-H579 PolarHBondContact O-N 3.05Å
578M94.1Very high96.1Very high61 Ų6180.9 Ų80.930%0.342%0.419SS..  trans-68104.7-177.7-174.261.165.100111.2F575 P576 N580 N582 I583F575-M578 HydrophobicContact CB-CB 3.74Å; F575-M578 HydrophobicContact CB-CE 4.31Å; F575-M578 HydrophobicContact CG-CE 4.47Å; F575-M578 WeakPolarHBondContact O-CB 3.44Å; F575-M578 PolarHBondContact O-N 3.28Å; F575-M578 VanDerWaalsContact O-N 3.09Å; P576-M578 PolarHBondContact O-N 3.42Å; M578-N580 PolarHBondContact O-N 2.93Å; M578-N582 HydrophobicContact SD-CB 3.86Å; M578-I583 HydrophobicContact CB-CD1 4.12Å; M578-I583 HydrophobicContact CB-CG1 4.03Å; M578-I583 HydrophobicContact CG-CD1 4.12Å; M578-I583 HydrophobicContact CG-CG1 3.47Å; M578-I583 VanDerWaalsContact CG-CG1 3.47Å; M578-I583 VanDerWaalsContact O-CD1 3.25Å; M578-I583 WeakPolarHBondContact O-CD1 3.25Å; M578-I583 WeakPolarHBondContact O-CG1 3.35Å
579H95.7Very high96.1Very high121 Ų12181.5 Ų81.556%0.5643%0.434SS*.  trans-54131.4-177.217971.1000112.7D577 S581 N582 I583D577-H579 PolarHBondContact O-N 3.05Å; H579-S581 PolarHBondContact CD2-N 3.06Å; H579-S581 PolarHBondContact CD2-OG 3Å; H579-S581 WeakPolarHBondContact NE2-CB 3.26Å; H579-S581 PolarHBondContact NE2-OG 3.43Å; H579-S581 PolarHBondContact O-N 3.32Å; H579-N582 WeakPolarHBondContact O-CB 3.27Å; H579-N582 PolarHBondContact O-N 2.65Å; H579-I583 PolarHBondContact O-N 3.35Å
580N93.6Very high96.2Very high73 Ų7381.5 Ų81.539%0.3943%0.434SS..Hα-helixtrans-55.6-29.2-167.9-164.4-85.2000115R568 M578 N582 I583 S584R568-N580 PolarHBondContact NE-ND2 3.48Å; M578-N580 PolarHBondContact O-N 2.93Å; N580-N582 VanDerWaalsContact C-N 3.31Å; N580-N582 PolarHBondContact O-N 3.37Å; N580-I583 PolarHBondContact O-N 3.19Å; N580-S584 WeakPolarHBondContact O-CB 3.48Å; N580-S584 PolarHBondContact O-N 3.08Å; N580-S584 PolarHBondContact O-OG 3.19Å; N580-S584 PolarHBondContact OD1-OG 3.05Å
581S96.6Very high96.2Very high69 Ų6977.5 Ų77.548%0.48342%0.415SS..Hα-helixtrans-64.5-33.5174.4-51.50000112.6H579 K585H579-S581 PolarHBondContact CD2-N 3.06Å; H579-S581 PolarHBondContact CD2-OG 3Å; H579-S581 WeakPolarHBondContact NE2-CB 3.26Å; H579-S581 PolarHBondContact NE2-OG 3.43Å; H579-S581 PolarHBondContact O-N 3.32Å; S581-K585 WeakPolarHBondContact O-CG 3.38Å; S581-K585 PolarHBondContact O-N 3.24Å
582N96.7Very high96.3Very high63 Ų6385.1 Ų85.134%0.33745%0.447SS..Hα-helixtrans-75.6-44.9175.6-69.7-17.5000111.1M578 H579 N580 S584 K585 I586M578-N582 HydrophobicContact SD-CB 3.86Å; H579-N582 WeakPolarHBondContact O-CB 3.27Å; H579-N582 PolarHBondContact O-N 2.65Å; N580-N582 VanDerWaalsContact C-N 3.31Å; N580-N582 PolarHBondContact O-N 3.37Å; N582-S584 PolarHBondContact O-N 2.88Å; N582-K585 WeakPolarHBondContact O-CB 3.12Å; N582-K585 PolarHBondContact O-N 2.97Å; N582-K585 PolarHBondContact OD1-NZ 2.94Å; N582-I586 WeakPolarHBondContact O-CG1 3.37Å; N582-I586 PolarHBondContact O-N 3.38Å; N582-I586 VanDerWaalsContact O-N 3.07Å
583I96.9Very high96.4Very high0 Ų086.6 Ų86.60%046%0.463CS..Hα-helixtrans-53.2-43171.6-53.8-172.7000110.6R568 I571 L572 M578 H579 N580 K585 I586 L587R568-I583 HydrophobicContact CB-CG2 4.5Å; R568-I583 HydrophobicContact CG-CG2 4.18Å; I571-I583 HydrophobicContact CB-CG2 4.06Å; I571-I583 HydrophobicContact CD1-CG2 3.92Å; I571-I583 HydrophobicContact CG2-CB 4.39Å; I571-I583 HydrophobicContact CG2-CD1 4Å; I571-I583 HydrophobicContact CG2-CG1 3.87Å; I571-I583 HydrophobicContact CG2-CG2 3.91Å; L572-I583 HydrophobicContact CD2-CD1 3.46Å; L572-I583 VanDerWaalsContact CD2-CD1 3.46Å; L572-I583 HydrophobicContact CG-CD1 3.62Å; M578-I583 HydrophobicContact CB-CD1 4.12Å; M578-I583 HydrophobicContact CB-CG1 4.03Å; M578-I583 HydrophobicContact CG-CD1 4.12Å; M578-I583 HydrophobicContact CG-CG1 3.47Å; M578-I583 VanDerWaalsContact CG-CG1 3.47Å; M578-I583 VanDerWaalsContact O-CD1 3.25Å; M578-I583 WeakPolarHBondContact O-CD1 3.25Å; M578-I583 WeakPolarHBondContact O-CG1 3.35Å; H579-I583 PolarHBondContact O-N 3.35Å; N580-I583 PolarHBondContact O-N 3.19Å; I583-K585 VanDerWaalsContact C-N 3.32Å; I583-K585 PolarHBondContact O-N 3.04Å; I583-I586 PolarHBondContact O-N 2.84Å; I583-L587 HydrophobicContact CG2-CD1 3.69Å; I583-L587 HydrophobicContact CG2-CG 4.08Å; I583-L587 WeakPolarHBondContact O-CB 3.24Å; I583-L587 VanDerWaalsContact O-CG 3.29Å; I583-L587 WeakPolarHBondContact O-CG 3.4Å; I583-L587 PolarHBondContact O-N 2.85Å
584S97.8Very high96.4Very high42 Ų4280.4 Ų80.429%0.29444%0.435SS..Hα-helixtrans-69.2-25.3-179.2-56.10000113.6R568 N580 N582 G588R568-S584 PolarHBondContact NH2-OG 2.95Å; N580-S584 WeakPolarHBondContact O-CB 3.48Å; N580-S584 PolarHBondContact O-N 3.08Å; N580-S584 PolarHBondContact O-OG 3.19Å; N580-S584 PolarHBondContact OD1-OG 3.05Å; N582-S584 PolarHBondContact O-N 2.88Å; S584-G588 PolarHBondContact O-N 3.05Å; S584-G588 VanDerWaalsContact O-N 3.12Å
585K97.9Very high96.6Very high143 Ų14379.6 Ų79.662%0.62243%0.425SS*.Hα-helixtrans-68.9-48.9167.6-64.7166-171164.50110.8S581 N582 I583 L587 G588 S589S581-K585 WeakPolarHBondContact O-CG 3.38Å; S581-K585 PolarHBondContact O-N 3.24Å; N582-K585 WeakPolarHBondContact O-CB 3.12Å; N582-K585 PolarHBondContact O-N 2.97Å; N582-K585 PolarHBondContact OD1-NZ 2.94Å; I583-K585 VanDerWaalsContact C-N 3.32Å; I583-K585 PolarHBondContact O-N 3.04Å; K585-L587 PolarHBondContact O-N 2.82Å; K585-G588 PolarHBondContact O-N 3.02Å; K585-S589 PolarHBondContact O-N 3.06Å
586I97.3Very high96.7Very high81 Ų8179.4 Ų79.442%0.41543%0.43SS..Hα-helixtrans-58.8-48.8-179.1-63.6165.6000110.1I571 N582 I583 G588 S589 R590I571-I586 HydrophobicContact CD1-CB 4.46Å; I571-I586 HydrophobicContact CD1-CG2 3.92Å; N582-I586 WeakPolarHBondContact O-CG1 3.37Å; N582-I586 PolarHBondContact O-N 3.38Å; N582-I586 VanDerWaalsContact O-N 3.07Å; I583-I586 PolarHBondContact O-N 2.84Å; I586-G588 PolarHBondContact O-N 3.43Å; I586-S589 PolarHBondContact O-N 3.35Å; I586-R590 PolarHBondContact O-N 2.86Å
587L98.1Very high96.9Very high1 Ų182.9 Ų82.91%0.00544%0.438CS..Hα-helixtrans-61.4-42.4176.3-69.5172.8000112.4F560 W563 A564 E567 R568 I571 I583 K585 S589 R590 W591F560-L587 HydrophobicContact CE2-CB 4.48Å; F560-L587 HydrophobicContact CZ-CB 4.31Å; W563-L587 HydrophobicContact CH2-CB 4.2Å; W563-L587 HydrophobicContact CH2-CD2 3.73Å; W563-L587 VanDerWaalsContact CH2-O 3.23Å; W563-L587 WeakPolarHBondContact CH2-O 3.48Å; W563-L587 HydrophobicContact CZ3-CB 3.92Å; W563-L587 HydrophobicContact CZ3-CD2 3.82Å; W563-L587 HydrophobicContact CZ3-CG 4.46Å; W563-L587 VanDerWaalsContact CZ3-O 3.29Å; W563-L587 WeakPolarHBondContact CZ3-O 3.32Å; A564-L587 HydrophobicContact CB-CD1 4.14Å; E567-L587 HydrophobicContact CB-CD2 3.48Å; E567-L587 VanDerWaalsContact CB-CD2 3.48Å; R568-L587 HydrophobicContact CB-CD1 3.89Å; I571-L587 HydrophobicContact CD1-CD2 3.76Å; I571-L587 HydrophobicContact CD1-CG 4Å; I583-L587 HydrophobicContact CG2-CD1 3.69Å; I583-L587 HydrophobicContact CG2-CG 4.08Å; I583-L587 WeakPolarHBondContact O-CB 3.24Å; I583-L587 VanDerWaalsContact O-CG 3.29Å; I583-L587 WeakPolarHBondContact O-CG 3.4Å; I583-L587 PolarHBondContact O-N 2.85Å; K585-L587 PolarHBondContact O-N 2.82Å; L587-S589 VanDerWaalsContact C-N 3.31Å; L587-S589 PolarHBondContact O-N 2.93Å; L587-R590 PolarHBondContact O-N 3.11Å; L587-W591 WeakPolarHBondContact O-CB 3.19Å; L587-W591 PolarHBondContact O-N 3.29Å
588G98.1Very high97Very high34 Ų3479.3 Ų79.335%0.35142%0.419SS..Hα-helixtrans-60.9-39175.200000113S584 K585 I586 K592S584-G588 PolarHBondContact O-N 3.05Å; S584-G588 VanDerWaalsContact O-N 3.12Å; K585-G588 PolarHBondContact O-N 3.02Å; I586-G588 PolarHBondContact O-N 3.43Å; G588-K592 PolarHBondContact O-N 2.8Å
589S98.1Very high97.2Very high81 Ų8177.3 Ų77.357%0.56641%0.408SS*.Hα-helixtrans-68.3-52.1175.6-1660000112K585 I586 L587 W591 K592 S593K585-S589 PolarHBondContact O-N 3.06Å; I586-S589 PolarHBondContact O-N 3.35Å; L587-S589 VanDerWaalsContact C-N 3.31Å; L587-S589 PolarHBondContact O-N 2.93Å; S589-W591 PolarHBondContact O-N 2.66Å; S589-K592 WeakPolarHBondContact O-CA 3.36Å; S589-K592 WeakPolarHBondContact O-CB 3.5Å; S589-K592 PolarHBondContact O-N 3.1Å; S589-S593 PolarHBondContact O-N 3.06Å; S589-S593 PolarHBondContact O-OG 3.01Å
590R97.8Very high97.3Very high130 Ų13076 Ų7649%0.49140%0.402SS..Hα-helixtrans-61.7-39.4-179-174.1-178.6-171.8164.917.4112.3W563 E567 I586 L587 K592 S593 M594W563-R590 HydrophobicContact CH2-CB 3.96Å; W563-R590 HydrophobicContact CH2-CG 4.2Å; W563-R590 HydrophobicContact CZ2-CB 4.16Å; W563-R590 HydrophobicContact CZ2-CG 3.86Å; E567-R590 IonicContact OE2-CZ 2.73Å; E567-R590 IonicContact OE2-NE 2.63Å; E567-R590 IonicContact OE2-NH1 2.7Å; E567-R590 PolarHBondContact OE2-NH1 3.01Å; I586-R590 PolarHBondContact O-N 2.86Å; L587-R590 PolarHBondContact O-N 3.11Å; R590-K592 VanDerWaalsContact C-N 3.32Å; R590-K592 PolarHBondContact O-N 3.33Å; R590-S593 PolarHBondContact O-N 3.41Å; R590-S593 PolarHBondContact O-OG 3.42Å; R590-M594 WeakPolarHBondContact O-CG 3.18Å; R590-M594 PolarHBondContact O-N 3.35Å
591W98Very high97.5Very high35 Ų3575.7 Ų75.713%0.13340%0.404CS..Hα-helixtrans-64.6-35.7171.9-179.4-98.5000112.4A559 F560 W563 L587 S589 M594 K599 Y602 Y603A559-W591 HydrophobicContact CB-CH2 3.92Å; A559-W591 HydrophobicContact CB-CZ2 4.13Å; F560-W591 HydrophobicContact CB-CD2 4.45Å; F560-W591 HydrophobicContact CD2-CB 3.73Å; F560-W591 AromaticContact CD2-CD1 3.87Å; F560-W591 AromaticContact CD2-CD2 3.93Å; F560-W591 HydrophobicContact CD2-CD2 3.93Å; F560-W591 AromaticContact CD2-CG 3.55Å; F560-W591 HydrophobicContact CD2-CG 3.55Å; F560-W591 HydrophobicContact CE2-CB 3.85Å; F560-W591 HydrophobicContact CE2-CG 4.19Å; W563-W591 HydrophobicContact CB-CE3 4.07Å; W563-W591 HydrophobicContact CB-CZ3 3.7Å; W563-W591 AromaticContact CD2-CE3 3.56Å; W563-W591 HydrophobicContact CD2-CE3 3.56Å; W563-W591 HydrophobicContact CD2-CZ3 4.08Å; W563-W591 HydrophobicContact CE3-CB 4.16Å; W563-W591 HydrophobicContact CE3-CD2 4.36Å; W563-W591 AromaticContact CE3-CE3 3.7Å; W563-W591 HydrophobicContact CE3-CE3 3.7Å; W563-W591 HydrophobicContact CE3-CZ3 4.5Å; W563-W591 AromaticContact CG-CE3 3.73Å; W563-W591 HydrophobicContact CG-CE3 3.73Å; W563-W591 AromaticContact CG-CZ3 3.73Å; W563-W591 HydrophobicContact CG-CZ3 3.73Å; W563-W591 HydrophobicContact CH2-CB 3.93Å; W563-W591 HydrophobicContact CZ3-CB 3.7Å; W563-W591 HydrophobicContact CZ3-CE3 4.39Å; L587-W591 WeakPolarHBondContact O-CB 3.19Å; L587-W591 PolarHBondContact O-N 3.29Å; S589-W591 PolarHBondContact O-N 2.66Å; W591-M594 HydrophobicContact CE3-CE 4.21Å; W591-M594 HydrophobicContact CE3-SD 4.04Å; W591-M594 HydrophobicContact CZ3-CE 4.2Å; W591-K599 HydrophobicContact CD2-CG 4.45Å; W591-K599 HydrophobicContact CE3-CG 4.28Å; W591-K599 HydrophobicContact CH2-CB 3.9Å; W591-K599 HydrophobicContact CH2-CD 4.46Å; W591-K599 HydrophobicContact CH2-CG 3.68Å; W591-K599 HydrophobicContact CZ2-CB 4.23Å; W591-K599 HydrophobicContact CZ2-CD 4.11Å; W591-K599 HydrophobicContact CZ2-CG 3.83Å; W591-K599 HydrophobicContact CZ3-CB 4.43Å; W591-K599 HydrophobicContact CZ3-CG 3.92Å; W591-K599 WeakPolarHBondContact O-CE 3.45Å; W591-K599 PolarHBondContact O-NZ 2.91Å; W591-Y602 HydrophobicContact CZ3-CD2 4.2Å; W591-Y602 HydrophobicContact CZ3-CG 4.37Å; W591-Y603 HydrophobicContact CZ2-CE2 4.49Å
592K97.9Very high97.6Very high182 Ų18276 Ų7679%0.79140%0.395SS*.Hα-helixtrans-65.5-39.6176.8-166.7-178.5178.1-171.40111.3G588 S589 R590G588-K592 PolarHBondContact O-N 2.8Å; S589-K592 WeakPolarHBondContact O-CA 3.36Å; S589-K592 WeakPolarHBondContact O-CB 3.5Å; S589-K592 PolarHBondContact O-N 3.1Å; R590-K592 VanDerWaalsContact C-N 3.32Å; R590-K592 PolarHBondContact O-N 3.33Å
593S97.5Very high97.7Very high98 Ų9877.8 Ų77.869%0.68540%0.398SS*.Hα-helixtrans-82.6-21.9-177.3590000115.9S589 R590S589-S593 PolarHBondContact O-N 3.06Å; S589-S593 PolarHBondContact O-OG 3.01Å; R590-S593 PolarHBondContact O-N 3.41Å; R590-S593 PolarHBondContact O-OG 3.42Å
594M97.2Very high97.7Very high31 Ų3183 Ų8315%0.15342%0.423CS..SBendtrans-53.6147.6171.8-80.6165.871.100112.4W563 R590 W591 D598 K599 Y602W563-M594 HydrophobicContact CD2-SD 4.37Å; W563-M594 HydrophobicContact CZ2-SD 3.61Å; W563-M594 PolarHBondContact NE1-SD 3.47Å; R590-M594 WeakPolarHBondContact O-CG 3.18Å; R590-M594 PolarHBondContact O-N 3.35Å; W591-M594 HydrophobicContact CE3-CE 4.21Å; W591-M594 HydrophobicContact CE3-SD 4.04Å; W591-M594 HydrophobicContact CZ3-CE 4.2Å; M594-D598 HydrophobicContact CB-CB 4.15Å; M594-D598 HydrophobicContact CE-CB 3.66Å; M594-D598 HydrophobicContact CG-CB 4.34Å; M594-K599 HydrophobicContact CB-CG 4.3Å; M594-K599 HydrophobicContact CE-CG 4.35Å; M594-K599 PolarHBondContact O-NZ 2.98Å; M594-Y602 HydrophobicContact CE-CE2 4.25Å
595S98.1Very high97.7Very high49 Ų4983.6 Ų83.634%0.34342%0.421SS..  trans-69.5170.5173.177.20000111.7Q597 D598 K599S595-Q597 VanDerWaalsContact C-N 3.32Å; S595-Q597 PolarHBondContact OG-N 2.99Å; S595-D598 WeakPolarHBondContact CA-OD2 3.31Å; S595-D598 WeakPolarHBondContact CB-OD2 3.36Å; S595-D598 PolarHBondContact N-OD2 2.91Å; S595-D598 PolarHBondContact OG-N 3.02Å; S595-D598 PolarHBondContact OG-OD2 3.49Å; S595-K599 WeakPolarHBondContact O-CD 3.48Å; S595-K599 VanDerWaalsContact O-CG 3.24Å; S595-K599 WeakPolarHBondContact O-CG 3.47Å; S595-K599 PolarHBondContact O-N 3.31Å
596N96.4Very high97.7Very high121 Ų12179.9 Ų79.965%0.64741%0.406SS*.Hα-helixtrans-71.4-29.3172.9-71.2-14.7000112K599 Q600N596-K599 PolarHBondContact O-N 2.93Å; N596-Q600 PolarHBondContact O-N 3.23Å
597Q97.6Very high97.8Very high167 Ų16778.8 Ų78.878%0.7841%0.409SS*.Hα-helixtrans-65.2-44.9173.5-71.5175.4-32.400111S595 K599 Q600 P601S595-Q597 VanDerWaalsContact C-N 3.32Å; S595-Q597 PolarHBondContact OG-N 2.99Å; Q597-K599 PolarHBondContact O-N 3.45Å; Q597-Q600 WeakPolarHBondContact O-CB 3.45Å; Q597-Q600 PolarHBondContact O-N 3.44Å; Q597-P601 WeakPolarHBondContact O-CD 3.49Å
598D96.7Very high97.8Very high84 Ų8485.1 Ų85.145%0.44943%0.433SS..Hα-helixtrans-61.7-28.1175.7-53.3-52.7000112.7M594 S595 Y602M594-D598 HydrophobicContact CB-CB 4.15Å; M594-D598 HydrophobicContact CE-CB 3.66Å; M594-D598 HydrophobicContact CG-CB 4.34Å; S595-D598 WeakPolarHBondContact CA-OD2 3.31Å; S595-D598 WeakPolarHBondContact CB-OD2 3.36Å; S595-D598 PolarHBondContact N-OD2 2.91Å; S595-D598 PolarHBondContact OG-N 3.02Å; S595-D598 PolarHBondContact OG-OD2 3.49Å; D598-Y602 VanDerWaalsContact O-CD2 3.27Å; D598-Y602 WeakPolarHBondContact O-CD2 3.1Å; D598-Y602 WeakPolarHBondContact O-CE2 3.3Å
599K97.8Very high97.8Very high18 Ų1885.2 Ų85.28%0.07843%0.425CS..Hα-helixtrans-84.5-26179.7-69.3166.2174.1140.10113W591 M594 S595 N596 Q597 Y602 Y603W591-K599 HydrophobicContact CD2-CG 4.45Å; W591-K599 HydrophobicContact CE3-CG 4.28Å; W591-K599 HydrophobicContact CH2-CB 3.9Å; W591-K599 HydrophobicContact CH2-CD 4.46Å; W591-K599 HydrophobicContact CH2-CG 3.68Å; W591-K599 HydrophobicContact CZ2-CB 4.23Å; W591-K599 HydrophobicContact CZ2-CD 4.11Å; W591-K599 HydrophobicContact CZ2-CG 3.83Å; W591-K599 HydrophobicContact CZ3-CB 4.43Å; W591-K599 HydrophobicContact CZ3-CG 3.92Å; W591-K599 WeakPolarHBondContact O-CE 3.45Å; W591-K599 PolarHBondContact O-NZ 2.91Å; M594-K599 HydrophobicContact CB-CG 4.3Å; M594-K599 HydrophobicContact CE-CG 4.35Å; M594-K599 PolarHBondContact O-NZ 2.98Å; S595-K599 WeakPolarHBondContact O-CD 3.48Å; S595-K599 VanDerWaalsContact O-CG 3.24Å; S595-K599 WeakPolarHBondContact O-CG 3.47Å; S595-K599 PolarHBondContact O-N 3.31Å; N596-K599 PolarHBondContact O-N 2.93Å; Q597-K599 PolarHBondContact O-N 3.45Å; K599-Y602 WeakPolarHBondContact O-CB 3.45Å; K599-Y602 PolarHBondContact O-N 3.14Å; K599-Y603 HydrophobicContact CB-CD2 3.96Å; K599-Y603 HydrophobicContact CB-CE2 3.62Å; K599-Y603 HydrophobicContact CD-CE2 4.45Å; K599-Y603 WeakPolarHBondContact O-CD2 3.35Å; K599-Y603 PolarHBondContact O-N 2.81Å; K599-Y603 VanDerWaalsContact O-N 3.13Å
600Q97.9Very high97.7Very high93 Ų9384.1 Ų84.144%0.43542%0.417SS..Hα-helixtrans-50-52.7-174.2-174.761.219.100114.2N596 Q597 Y602 Y603 E604N596-Q600 PolarHBondContact O-N 3.23Å; Q597-Q600 WeakPolarHBondContact O-CB 3.45Å; Q597-Q600 PolarHBondContact O-N 3.44Å; Q600-Y602 PolarHBondContact O-N 2.97Å; Q600-Y602 VanDerWaalsContact O-N 3.14Å; Q600-Y603 WeakPolarHBondContact O-CB 3.34Å; Q600-Y603 PolarHBondContact O-N 2.81Å; Q600-E604 WeakPolarHBondContact CG-OE1 3.26Å; Q600-E604 PolarHBondContact NE2-OE1 2.65Å; Q600-E604 PolarHBondContact O-N 3.26Å
601P98.1Very high97.7Very high67 Ų6785.1 Ų85.144%0.43543%0.425SS..Hα-helixtrans-61.8-2718023.6-34.7000113.2Q597 E605Q597-P601 WeakPolarHBondContact O-CD 3.49Å; P601-E605 WeakPolarHBondContact O-CB 3.12Å; P601-E605 PolarHBondContact O-N 3.48Å
602Y98.1Very high97.7Very high75 Ų7587.4 Ų87.429%0.29444%0.439SS..Hα-helixtrans-79.6-26.3176.3-53.9-77.2000112.7A559 V562 W563 W591 M594 D598 K599 Q600 Q606A559-Y602 WeakPolarHBondContact CA-O 3.38Å; A559-Y602 WeakPolarHBondContact CB-O 3.32Å; V562-Y602 HydrophobicContact CG1-CD1 4.01Å; W563-Y602 HydrophobicContact CB-CD1 3.64Å; W563-Y602 HydrophobicContact CB-CD2 4.3Å; W563-Y602 HydrophobicContact CB-CE1 3.87Å; W563-Y602 HydrophobicContact CB-CG 3.87Å; W563-Y602 AromaticContact CD1-CE1 3.98Å; W563-Y602 AromaticContact CD1-CE2 3.7Å; W563-Y602 AromaticContact CD1-CZ 3.6Å; W563-Y602 HydrophobicContact CG-CD1 4.49Å; W563-Y602 HydrophobicContact CG-CE1 4.36Å; W563-Y602 HydrophobicContact CG-CE2 4.47Å; W591-Y602 HydrophobicContact CZ3-CD2 4.2Å; W591-Y602 HydrophobicContact CZ3-CG 4.37Å; M594-Y602 HydrophobicContact CE-CE2 4.25Å; D598-Y602 VanDerWaalsContact O-CD2 3.27Å; D598-Y602 WeakPolarHBondContact O-CD2 3.1Å; D598-Y602 WeakPolarHBondContact O-CE2 3.3Å; K599-Y602 WeakPolarHBondContact O-CB 3.45Å; K599-Y602 PolarHBondContact O-N 3.14Å; Q600-Y602 PolarHBondContact O-N 2.97Å; Q600-Y602 VanDerWaalsContact O-N 3.14Å; Y602-Q606 WeakPolarHBondContact O-CB 3.39Å; Y602-Q606 PolarHBondContact O-N 3.09Å
603Y98.1Very high97.7Very high101 Ų10179.8 Ų79.840%0.39641%0.407SS..Hα-helixtrans-72.2-38168.6-74.3-62.8000111.8A559 W591 K599 Q600 Q606 A607A559-Y603 HydrophobicContact CB-CD1 3.62Å; A559-Y603 HydrophobicContact CB-CE1 3.88Å; A559-Y603 HydrophobicContact CB-CG 4.13Å; W591-Y603 HydrophobicContact CZ2-CE2 4.49Å; K599-Y603 HydrophobicContact CB-CD2 3.96Å; K599-Y603 HydrophobicContact CB-CE2 3.62Å; K599-Y603 HydrophobicContact CD-CE2 4.45Å; K599-Y603 WeakPolarHBondContact O-CD2 3.35Å; K599-Y603 PolarHBondContact O-N 2.81Å; K599-Y603 VanDerWaalsContact O-N 3.13Å; Q600-Y603 WeakPolarHBondContact O-CB 3.34Å; Q600-Y603 PolarHBondContact O-N 2.81Å; Y603-Q606 WeakPolarHBondContact O-CB 3.3Å; Y603-Q606 PolarHBondContact O-N 3.36Å; Y603-A607 PolarHBondContact O-N 3.23Å
604E98.1Very high97.6Very high110 Ų11080.2 Ų80.251%0.51440%0.401SS..Hα-helixtrans-66.5-45.6173.9-70.7167.3-171.900111.4Q600 Q606 A607 R608Q600-E604 WeakPolarHBondContact CG-OE1 3.26Å; Q600-E604 PolarHBondContact NE2-OE1 2.65Å; Q600-E604 PolarHBondContact O-N 3.26Å; E604-Q606 VanDerWaalsContact C-N 3.34Å; E604-Q606 PolarHBondContact O-N 2.84Å; E604-A607 WeakPolarHBondContact O-CB 3.49Å; E604-A607 PolarHBondContact O-N 2.94Å; E604-R608 PolarHBondContact O-N 2.99Å
605E97.8Very high97.6Very high54 Ų5485.1 Ų85.125%0.25242%0.423SS..Hα-helixtrans-64.7-36173.8177.957.3-169.200112V562 P601 A607 R608 L609V562-E605 HydrophobicContact CG1-CB 4.28Å; V562-E605 HydrophobicContact CG1-CG 3.64Å; V562-E605 HydrophobicContact CG2-CG 4.24Å; P601-E605 WeakPolarHBondContact O-CB 3.12Å; P601-E605 PolarHBondContact O-N 3.48Å; E605-A607 VanDerWaalsContact C-N 3.34Å; E605-A607 PolarHBondContact O-N 3.19Å; E605-R608 PolarHBondContact O-N 2.95Å; E605-R608 IonicContact OE1-CZ 3.01Å; E605-R608 IonicContact OE1-NE 3.81Å; E605-R608 IonicContact OE1-NH2 2.74Å; E605-R608 PolarHBondContact OE1-NH2 2.81Å; E605-R608 IonicContact OE2-CZ 3.67Å; E605-R608 IonicContact OE2-NE 3.75Å; E605-R608 PolarHBondContact OE2-NE 3.38Å; E605-R608 IonicContact OE2-NH2 2.74Å; E605-R608 PolarHBondContact OE2-NH2 3.11Å; E605-L609 HydrophobicContact CG-CD1 4.03Å; E605-L609 HydrophobicContact CG-CG 4.35Å; E605-L609 VanDerWaalsContact O-CB 3.32Å; E605-L609 WeakPolarHBondContact O-CB 3.31Å; E605-L609 VanDerWaalsContact O-CG 3.23Å; E605-L609 WeakPolarHBondContact O-CG 3.44Å; E605-L609 PolarHBondContact O-N 3.01Å; E605-L609 WeakPolarHBondContact OE1-CD1 3.16Å; E605-L609 VanDerWaalsContact OE1-CG 3.31Å; E605-L609 WeakPolarHBondContact OE1-CG 3.32Å
606Q97.9Very high97.6Very high65 Ų6589.6 Ų89.630%0.30444%0.437SS..Hα-helixtrans-58.5-45.9168.5174.3-170.4-79.400111.3N558 A559 Y602 Y603 E604 L609 S610N558-Q606 VanDerWaalsContact CB-OE1 3.28Å; A559-Q606 HydrophobicContact CB-CB 4.23Å; Y602-Q606 WeakPolarHBondContact O-CB 3.39Å; Y602-Q606 PolarHBondContact O-N 3.09Å; Y603-Q606 WeakPolarHBondContact O-CB 3.3Å; Y603-Q606 PolarHBondContact O-N 3.36Å; E604-Q606 VanDerWaalsContact C-N 3.34Å; E604-Q606 PolarHBondContact O-N 2.84Å; Q606-L609 PolarHBondContact O-N 3.47Å; Q606-S610 VanDerWaalsContact O-CB 3.25Å; Q606-S610 WeakPolarHBondContact O-CB 3.43Å; Q606-S610 PolarHBondContact O-N 3.35Å
607A97.9Very high97.5Very high58 Ų5887.9 Ų87.948%0.47942%0.422SS..Hα-helixtrans-64.1-44-179.900000111.2Y603 E604 E605 S610 K611Y603-A607 PolarHBondContact O-N 3.23Å; E604-A607 WeakPolarHBondContact O-CB 3.49Å; E604-A607 PolarHBondContact O-N 2.94Å; E605-A607 VanDerWaalsContact C-N 3.34Å; E605-A607 PolarHBondContact O-N 3.19Å; A607-S610 PolarHBondContact O-N 2.95Å; A607-K611 PolarHBondContact O-N 2.98Å
608R98.4Very high97.4Very high135 Ų13584.5 Ų84.551%0.50941%0.414SS..Hα-helixtrans-60.3-49175.3-164.4-169.169.290.64.3111.9E604 E605 S610 K611 L612E604-R608 PolarHBondContact O-N 2.99Å; E605-R608 PolarHBondContact O-N 2.95Å; E605-R608 IonicContact OE1-CZ 3.01Å; E605-R608 IonicContact OE1-NE 3.81Å; E605-R608 IonicContact OE1-NH2 2.74Å; E605-R608 PolarHBondContact OE1-NH2 2.81Å; E605-R608 IonicContact OE2-CZ 3.67Å; E605-R608 IonicContact OE2-NE 3.75Å; E605-R608 PolarHBondContact OE2-NE 3.38Å; E605-R608 IonicContact OE2-NH2 2.74Å; E605-R608 PolarHBondContact OE2-NH2 3.11Å; R608-S610 VanDerWaalsContact C-N 3.31Å; R608-S610 PolarHBondContact O-N 2.95Å; R608-K611 PolarHBondContact O-N 2.91Å; R608-L612 WeakPolarHBondContact O-CB 3.36Å; R608-L612 PolarHBondContact O-N 3.21Å
609L97.8Very high97.2Very high35 Ų3588.1 Ų88.118%0.18343%0.434CS..Hα-helixtrans-63.3-35.7175.9-71173.2000112.3P556 M557 V562 E605 Q606 H613P556-L609 HydrophobicContact CB-CB 4.49Å; M557-L609 HydrophobicContact CB-CD1 4.41Å; M557-L609 HydrophobicContact CE-CD1 4.08Å; V562-L609 HydrophobicContact CG2-CD1 3.73Å; E605-L609 HydrophobicContact CG-CD1 4.03Å; E605-L609 HydrophobicContact CG-CG 4.35Å; E605-L609 VanDerWaalsContact O-CB 3.32Å; E605-L609 WeakPolarHBondContact O-CB 3.31Å; E605-L609 VanDerWaalsContact O-CG 3.23Å; E605-L609 WeakPolarHBondContact O-CG 3.44Å; E605-L609 PolarHBondContact O-N 3.01Å; E605-L609 WeakPolarHBondContact OE1-CD1 3.16Å; E605-L609 VanDerWaalsContact OE1-CG 3.31Å; E605-L609 WeakPolarHBondContact OE1-CG 3.32Å; Q606-L609 PolarHBondContact O-N 3.47Å; L609-H613 WeakPolarHBondContact O-CB 3.44Å; L609-H613 PolarHBondContact O-N 2.96Å
610S97.2Very high97.1Very high59 Ų5990.2 Ų90.241%0.41344%0.442SS..Hα-helixtrans-71.1-38176.6-167.60000112.4Q606 A607 R608 L614Q606-S610 VanDerWaalsContact O-CB 3.25Å; Q606-S610 WeakPolarHBondContact O-CB 3.43Å; Q606-S610 PolarHBondContact O-N 3.35Å; A607-S610 PolarHBondContact O-N 2.95Å; R608-S610 VanDerWaalsContact C-N 3.31Å; R608-S610 PolarHBondContact O-N 2.95Å; S610-L614 PolarHBondContact O-N 3.48Å; S610-L614 VanDerWaalsContact O-N 3.09Å
611K97.7Very high96.8Very high151 Ų15192.9 Ų92.966%0.65745%0.451SS*.Hα-helixtrans-62.7-55.9172.5-178.3-173.6172.9-172.10110.2A607 R608 H613 L614 E615A607-K611 PolarHBondContact O-N 2.98Å; R608-K611 PolarHBondContact O-N 2.91Å; K611-H613 PolarHBondContact O-N 3.09Å; K611-L614 PolarHBondContact O-N 3.03Å; K611-E615 WeakPolarHBondContact O-CB 3.45Å; K611-E615 PolarHBondContact O-N 3.34Å
612L97.7Very high96.6Very high82 Ų8295.3 Ų95.343%0.42945%0.453SS..Hα-helixtrans-57.4-34.1179.4-178.963.1000112.3R608 K616R608-L612 WeakPolarHBondContact O-CB 3.36Å; R608-L612 PolarHBondContact O-N 3.21Å; L612-K616 WeakPolarHBondContact O-CB 3.19Å; L612-K616 PolarHBondContact O-N 3.46Å
613H97.8Very high96.2Very high22 Ų2299.9 Ų99.910%0.10247%0.474CS..Hα-helixtrans-70.4-41.7175.3-173.185.5000113.1I553 K554 P556 L609 K611 Y617 Y620I553-H613 WeakPolarHBondContact CG2-CE1 3.33Å; K554-H613 PolarHBondContact O-CE1 2.88Å; P556-H613 HydrophobicContact CB-CB 4.01Å; P556-H613 HydrophobicContact CG-CB 4.15Å; L609-H613 WeakPolarHBondContact O-CB 3.44Å; L609-H613 PolarHBondContact O-N 2.96Å; K611-H613 PolarHBondContact O-N 3.09Å; H613-Y617 AromaticContact CE1-CD2 3.5Å; H613-Y617 VanDerWaalsContact CE1-CD2 3.5Å; H613-Y617 WeakPolarHBondContact CE1-CD2 3.4Å; H613-Y617 AromaticContact CE1-CE2 3.89Å; H613-Y617 AromaticContact ND1-CD2 3.63Å; H613-Y617 AromaticContact ND1-CE2 3.87Å; H613-Y617 AromaticContact NE2-CD2 3.98Å; H613-Y617 WeakPolarHBondContact O-CB 3.41Å; H613-Y617 WeakPolarHBondContact O-CD2 3.46Å; H613-Y617 PolarHBondContact O-N 3.05Å; H613-Y620 AromaticContact CD2-CD1 3.9Å; H613-Y620 AromaticContact NE2-CD1 3.49Å; H613-Y620 WeakPolarHBondContact NE2-CD1 3.28Å; H613-Y620 AromaticContact NE2-CD2 3.81Å; H613-Y620 AromaticContact NE2-CE1 3.8Å; H613-Y620 AromaticContact NE2-CG 3.49Å
614L96.4Very high95.6Very high108 Ų10898.9 Ų98.957%0.56548%0.48SS*.Hα-helixtrans-68-39176.7-177.462.6000111.3S610 K611 Y617 P618S610-L614 PolarHBondContact O-N 3.48Å; S610-L614 VanDerWaalsContact O-N 3.09Å; K611-L614 PolarHBondContact O-N 3.03Å; L614-Y617 CarbonylContact O-C 3.43Å; L614-Y617 PolarHBondContact O-N 3Å; L614-P618 WeakPolarHBondContact O-CA 3.49Å; L614-P618 VanDerWaalsContact O-N 3.07Å
615E97.1Very high94.9Very high133 Ų133100.9 Ų100.962%0.62148%0.483SS*.Hα-helixtrans-64.1-47.7175.6-176.9176.4172.500112K611 Y617K611-E615 WeakPolarHBondContact O-CB 3.45Å; K611-E615 PolarHBondContact O-N 3.34Å; E615-Y617 VanDerWaalsContact C-N 3.32Å; E615-Y617 PolarHBondContact O-N 2.78Å
616K97Very high94.2Very high144 Ų144103.6 Ų103.663%0.62651%0.505SS*.Hα-helixtrans-72.2-23.5177.5-171.3162.6-175.3157.60113.6L612L612-K616 WeakPolarHBondContact O-CB 3.19Å; L612-K616 PolarHBondContact O-N 3.46Å
617Y95.2Very high93.2Very high84 Ų84108.9 Ų108.933%0.32953%0.527SS..  trans-137.969.4-178.1-50.8-71.3000111.5I553 H613 L614 E615 N619 Y620I553-Y617 HydrophobicContact CD1-CD1 3.58Å; I553-Y617 HydrophobicContact CD1-CE1 4.14Å; I553-Y617 HydrophobicContact CD1-CG 4.02Å; I553-Y617 HydrophobicContact CG1-CD1 3.95Å; I553-Y617 HydrophobicContact CG1-CE1 4.03Å; I553-Y617 HydrophobicContact CG1-CG 4.41Å; I553-Y617 HydrophobicContact CG2-CD1 4.27Å; I553-Y617 HydrophobicContact CG2-CD2 3.81Å; I553-Y617 HydrophobicContact CG2-CE2 4.07Å; I553-Y617 HydrophobicContact CG2-CG 3.92Å; H613-Y617 AromaticContact CE1-CD2 3.5Å; H613-Y617 VanDerWaalsContact CE1-CD2 3.5Å; H613-Y617 WeakPolarHBondContact CE1-CD2 3.4Å; H613-Y617 AromaticContact CE1-CE2 3.89Å; H613-Y617 AromaticContact ND1-CD2 3.63Å; H613-Y617 AromaticContact ND1-CE2 3.87Å; H613-Y617 AromaticContact NE2-CD2 3.98Å; H613-Y617 WeakPolarHBondContact O-CB 3.41Å; H613-Y617 WeakPolarHBondContact O-CD2 3.46Å; H613-Y617 PolarHBondContact O-N 3.05Å; L614-Y617 CarbonylContact O-C 3.43Å; L614-Y617 PolarHBondContact O-N 3Å; E615-Y617 VanDerWaalsContact C-N 3.32Å; E615-Y617 PolarHBondContact O-N 2.78Å; Y617-N619 PolarHBondContact O-N 2.8Å; Y617-N619 VanDerWaalsContact O-N 3.13Å; Y617-Y620 WeakPolarHBondContact O-CB 3.15Å; Y617-Y620 PolarHBondContact O-N 3.49Å
618P94.9Very high92.3Very high96 Ų96113.4 Ų113.462%0.62353%0.532SS*.THydrogen-bonded Turntrans-62.1-27.6-175.223.6-34.3000113.2L614 Y620L614-P618 WeakPolarHBondContact O-CA 3.49Å; L614-P618 VanDerWaalsContact O-N 3.07Å; P618-Y620 VanDerWaalsContact C-N 3.33Å
619N92.3Very high91.5Very high161 Ų161110.2 Ų110.286%0.86153%0.528SS*.THydrogen-bonded Turntrans-86.44.6175.4-68.8-40.6000113.9Y617 K621Y617-N619 PolarHBondContact O-N 2.8Å; Y617-N619 VanDerWaalsContact O-N 3.13Å; N619-K621 PolarHBondContact O-N 2.84Å
620Y95.1Very high90.6Very high62 Ų62109.9 Ų109.924%0.24353%0.528CS..  trans-67.9119.4178.5173.1-98.5000111.3I553 H613 Y617 P618I553-Y620 HydrophobicContact CB-CD2 4.04Å; I553-Y620 HydrophobicContact CB-CE2 4.45Å; I553-Y620 HydrophobicContact CG2-CD2 3.52Å; I553-Y620 HydrophobicContact CG2-CE2 4.01Å; I553-Y620 HydrophobicContact CG2-CG 4.27Å; H613-Y620 AromaticContact CD2-CD1 3.9Å; H613-Y620 AromaticContact NE2-CD1 3.49Å; H613-Y620 WeakPolarHBondContact NE2-CD1 3.28Å; H613-Y620 AromaticContact NE2-CD2 3.81Å; H613-Y620 AromaticContact NE2-CE1 3.8Å; H613-Y620 AromaticContact NE2-CG 3.49Å; Y617-Y620 WeakPolarHBondContact O-CB 3.15Å; Y617-Y620 PolarHBondContact O-N 3.49Å; P618-Y620 VanDerWaalsContact C-N 3.33Å
621K92.6Very high89.9Confident148 Ų148112.5 Ų112.564%0.64354%0.536SS*.  trans-124122.4172.5-171.8165-174.21680109.9N619 K623N619-K621 PolarHBondContact O-N 2.84Å; K621-K623 PolarHBondContact O-N 3.5Å
622Y94Very high88.9Confident118 Ų118106.8 Ų106.846%0.46351%0.512SS..  trans-61.9109.3175.4172.4-136.4000110.6R555 P624R555-Y622 VanDerWaalsContact NH1-CZ 3.27Å; R555-Y622 PolarHBondContact NH1-OH 2.97Å; R555-Y622 VanDerWaalsContact NH2-CZ 3.33Å; R555-Y622 PolarHBondContact NH2-OH 3.35Å; Y622-P624 HydrophobicContact CE1-CB 4.36Å; Y622-P624 HydrophobicContact CE1-CG 4.42Å; Y622-P624 HydrophobicContact CE2-CB 4.06Å; Y622-P624 VanDerWaalsContact O-CD 3.32Å; Y622-P624 WeakPolarHBondContact O-CD 3.35Å
623K88.6Confident87.9Confident172 Ų172109 Ų10975%0.74853%0.525SS*.  trans-108.590.1176.9-70.3166.4-174.5172.90108.6K621 R625K621-K623 PolarHBondContact O-N 3.5Å; K623-R625 PolarHBondContact O-N 3.46Å
624P87.3Confident87.2Confident80 Ų80111.4 Ų111.452%0.51956%0.555SS.*PPolyproline II helixtrans-57.7123.8177.421.2-31.9000110.5Y622 P626Y622-P624 HydrophobicContact CE1-CB 4.36Å; Y622-P624 HydrophobicContact CE1-CG 4.42Å; Y622-P624 HydrophobicContact CE2-CB 4.06Å; Y622-P624 VanDerWaalsContact O-CD 3.32Å; Y622-P624 WeakPolarHBondContact O-CD 3.35Å; P624-P626 WeakPolarHBondContact O-CD 3.46Å
625R83.4Confident86.7Confident152 Ų152113.9 Ų113.957%0.57456%0.561SS**PPolyproline II helixtrans-69.8126.3175.6-169.2-174.6-175.1-170.27109.3K623 K627K623-R625 PolarHBondContact O-N 3.46Å; R625-K627 PolarHBondContact O-N 3.2Å
626P81.5Confident85.9Confident111 Ų111115.1 Ų115.172%0.72157%0.565SS**PPolyproline II helixtrans-53.3134.8171.3-27.135.8000111.2P624 R628P624-P626 WeakPolarHBondContact O-CD 3.46Å; P626-R628 PolarHBondContact O-N 3.42Å
627K77.1Confident85.3Confident175 Ų175110.1 Ų110.176%0.76155%0.545SS*.PPolyproline II helixtrans-61.1128.1174.9-68.3179.7-179.5175.10108.1R625 T629R625-K627 PolarHBondContact O-N 3.2Å; K627-T629 PolarHBondContact O-N 3.25Å
628R79.9Confident84.9Confident153 Ų153113.4 Ų113.458%0.57756%0.557SS**PPolyproline II helixtrans-55.6133174.6-77.7177.4165.7141.2-9109.3P626 I639P626-R628 PolarHBondContact O-N 3.42Å; R628-I639 WeakPolarHBondContact O-CB 3.4Å; R628-I639 PolarHBondContact O-N 2.96Å
629T81.1Confident84.4Confident69 Ų69112.2 Ų112.242%0.42354%0.544SS..EExtended strand (participates in β ladder)trans-92.6156.8159.7460000109.1K627 L637 R638K627-T629 PolarHBondContact O-N 3.25Å; T629-L637 CarbonylContact C-O 3.57Å; T629-L637 WeakPolarHBondContact CA-O 3.36Å; T629-L637 VanDerWaalsContact CB-O 3.23Å; T629-L637 WeakPolarHBondContact CB-O 3.43Å; T629-R638 HydrophobicContact CG2-CG 4.38Å
630C79.3Confident84.1Confident27 Ų27106.6 Ų106.618%0.18252%0.524CS..EExtended strand (participates in β ladder)trans-129147.4173.645.60000107.5I632 L637 I639 Y642C630-I632 HydrophobicContact CB-CD1 4.05Å; C630-I632 VanDerWaalsContact SG-CD1 3.6Å; C630-L637 PolarHBondContact N-O 3.27Å; C630-L637 PolarHBondContact O-N 3.38Å; C630-L637 VanDerWaalsContact O-O 3.12Å; C630-I639 HydrophobicContact CB-CD1 4.18Å; C630-Y642 WeakPolarHBondContact SG-CB 3.39Å; C630-Y642 VanDerWaalsContact SG-CG 3.56Å
631I81.3Confident83.7Confident114 Ų114106.8 Ų106.859%0.58553%0.527SS*.EExtended strand (participates in β ladder)trans-101127.7179.7-59.5172.7000107.8K635 K636I631-K635 WeakPolarHBondContact CA-O 3.27Å; I631-K636 HydrophobicContact CG1-CB 4.31Å; I631-K636 HydrophobicContact CG1-CG 4.07Å
632I77.9Confident83.5Confident31 Ų31103.7 Ų103.716%0.15951%0.512CS..EExtended strand (participates in β ladder)trans-134.9130.7175-5991.1000105.9C630 G634 K635 L637 Y642 M645C630-I632 HydrophobicContact CB-CD1 4.05Å; C630-I632 VanDerWaalsContact SG-CD1 3.6Å; I632-G634 PolarHBondContact O-N 3.26Å; I632-K635 PolarHBondContact N-O 3Å; I632-K635 WeakPolarHBondContact O-CA 3.3Å; I632-K635 WeakPolarHBondContact O-CB 3.44Å; I632-K635 PolarHBondContact O-N 3.49Å; I632-L637 HydrophobicContact CD1-CB 4.25Å; I632-L637 HydrophobicContact CD1-CD2 4.3Å; I632-Y642 HydrophobicContact CD1-CD2 3.32Å; I632-Y642 HydrophobicContact CD1-CE2 3.85Å; I632-Y642 HydrophobicContact CD1-CG 3.91Å; I632-Y642 HydrophobicContact CG1-CD2 3.72Å; I632-Y642 HydrophobicContact CG1-CE2 3.81Å; I632-M645 HydrophobicContact CB-CE 4.33Å; I632-M645 HydrophobicContact CG2-CE 4.04Å; I632-M645 HydrophobicContact CG2-SD 4.09Å
633D77.4Confident83.3Confident130 Ų130104.6 Ų104.670%0.69552%0.518SS*.THydrogen-bonded Turntrans51.142.5180-45.1-29.1000112.8K635D633-K635 PolarHBondContact O-N 3.49Å
634G82.9Confident83.4Confident72 Ų72102.5 Ų102.574%0.74251%0.512SS*.THydrogen-bonded Turntrans72-15.1-174.100000115.6I632I632-G634 PolarHBondContact O-N 3.26Å
635K84.4Confident83.5Confident159 Ų159101.7 Ų101.769%0.69150%0.501SS*.EExtended strand (participates in β ladder)trans-87.5128.3-174.4-64.9169.1-174.8173.20111.2I631 I632 D633 L637I631-K635 WeakPolarHBondContact CA-O 3.27Å; I632-K635 PolarHBondContact N-O 3Å; I632-K635 WeakPolarHBondContact O-CA 3.3Å; I632-K635 WeakPolarHBondContact O-CB 3.44Å; I632-K635 PolarHBondContact O-N 3.49Å; D633-K635 PolarHBondContact O-N 3.49Å; K635-L637 PolarHBondContact O-N 3.05Å
636K81.2Confident83.8Confident159 Ų15997.7 Ų97.769%0.69149%0.49SS*.EExtended strand (participates in β ladder)trans-87.392-175.6-162.4171.6-166.5171.50110.8I631I631-K636 HydrophobicContact CG1-CB 4.31Å; I631-K636 HydrophobicContact CG1-CG 4.07Å
637L84.3Confident84.3Confident39 Ų39100.3 Ų100.320%0.20449%0.486CS..EExtended strand (participates in β ladder)trans-98.4146.1-167.8-160.261.5000111.5T629 C630 I632 K635 E641 M645T629-L637 CarbonylContact C-O 3.57Å; T629-L637 WeakPolarHBondContact CA-O 3.36Å; T629-L637 VanDerWaalsContact CB-O 3.23Å; T629-L637 WeakPolarHBondContact CB-O 3.43Å; C630-L637 PolarHBondContact N-O 3.27Å; C630-L637 PolarHBondContact O-N 3.38Å; C630-L637 VanDerWaalsContact O-O 3.12Å; I632-L637 HydrophobicContact CD1-CB 4.25Å; I632-L637 HydrophobicContact CD1-CD2 4.3Å; K635-L637 PolarHBondContact O-N 3.05Å; L637-E641 HydrophobicContact CD1-CB 3.59Å; L637-E641 HydrophobicContact CD1-CG 4.26Å; L637-E641 HydrophobicContact CD2-CB 4.18Å; L637-E641 HydrophobicContact CG-CB 3.62Å; L637-M645 HydrophobicContact CD2-CE 3.64Å; L637-M645 HydrophobicContact CD2-SD 4.44Å
638R86.3Confident85Confident154 Ų15495.4 Ų95.458%0.58147%0.473SS*.EExtended strand (participates in β ladder)trans-72.1151.3173.1-52.6-174.2-165116.8-9.8110.1T629 G640 E641 Y642T629-R638 HydrophobicContact CG2-CG 4.38Å; R638-G640 PolarHBondContact O-N 3.15Å; R638-E641 WeakPolarHBondContact CB-OE1 3.42Å; R638-E641 VanDerWaalsContact CB-OE2 3.25Å; R638-E641 WeakPolarHBondContact CB-OE2 3.41Å; R638-E641 WeakPolarHBondContact CD-OE1 3.23Å; R638-E641 VanDerWaalsContact CG-OE1 3.26Å; R638-E641 WeakPolarHBondContact CG-OE1 3.42Å; R638-E641 VanDerWaalsContact CG-OE2 3.27Å; R638-E641 WeakPolarHBondContact CG-OE2 3.4Å; R638-E641 IonicContact CZ-OE1 3.37Å; R638-E641 PolarHBondContact N-OE2 3.31Å; R638-E641 IonicContact NE-OE1 3.88Å; R638-E641 IonicContact NH1-OE1 2.94Å; R638-E641 PolarHBondContact NH1-OE1 3.28Å; R638-E641 PolarHBondContact O-N 3.07Å; R638-E641 VanDerWaalsContact O-N 3.1Å; R638-Y642 PolarHBondContact O-N 3.16Å
639I83.6Confident85.5Confident71 Ų7194.9 Ų94.936%0.36447%0.471SS..Hα-helixtrans-56.5-23.9178.8-13876.8000113.9R628 C630 K643R628-I639 WeakPolarHBondContact O-CB 3.4Å; R628-I639 PolarHBondContact O-N 2.96Å; C630-I639 HydrophobicContact CB-CD1 4.18Å; I639-K643 WeakPolarHBondContact O-CB 3.3Å; I639-K643 VanDerWaalsContact O-CG 3.3Å; I639-K643 WeakPolarHBondContact O-CG 3.32Å; I639-K643 PolarHBondContact O-N 3.26Å; I639-K643 VanDerWaalsContact O-N 3.11Å
640G86Confident86Confident43 Ų43100.2 Ų100.244%0.44348%0.484SS..Hα-helixtrans-74.3-50.9175.800000112.4R638 Y642 K643 Q644R638-G640 PolarHBondContact O-N 3.15Å; G640-Y642 VanDerWaalsContact C-N 3.34Å; G640-Y642 PolarHBondContact O-N 2.96Å; G640-K643 CarbonylContact O-C 3.59Å; G640-K643 PolarHBondContact O-N 3.22Å; G640-K643 VanDerWaalsContact O-N 3.17Å; G640-Q644 PolarHBondContact O-N 3.41Å
641E88.5Confident86.5Confident66 Ų66104.8 Ų104.831%0.30850%0.502SS..Hα-helixtrans-60.4-41.5174.4-68.8124.1-134.700111.4L637 R638 K643 Q644 M645L637-E641 HydrophobicContact CD1-CB 3.59Å; L637-E641 HydrophobicContact CD1-CG 4.26Å; L637-E641 HydrophobicContact CD2-CB 4.18Å; L637-E641 HydrophobicContact CG-CB 3.62Å; R638-E641 WeakPolarHBondContact CB-OE1 3.42Å; R638-E641 VanDerWaalsContact CB-OE2 3.25Å; R638-E641 WeakPolarHBondContact CB-OE2 3.41Å; R638-E641 WeakPolarHBondContact CD-OE1 3.23Å; R638-E641 VanDerWaalsContact CG-OE1 3.26Å; R638-E641 WeakPolarHBondContact CG-OE1 3.42Å; R638-E641 VanDerWaalsContact CG-OE2 3.27Å; R638-E641 WeakPolarHBondContact CG-OE2 3.4Å; R638-E641 IonicContact CZ-OE1 3.37Å; R638-E641 PolarHBondContact N-OE2 3.31Å; R638-E641 IonicContact NE-OE1 3.88Å; R638-E641 IonicContact NH1-OE1 2.94Å; R638-E641 PolarHBondContact NH1-OE1 3.28Å; R638-E641 PolarHBondContact O-N 3.07Å; R638-E641 VanDerWaalsContact O-N 3.1Å; E641-K643 PolarHBondContact O-N 3.31Å; E641-Q644 CarbonylContact O-C 3.49Å; E641-Q644 WeakPolarHBondContact O-CA 3.46Å; E641-Q644 WeakPolarHBondContact O-CB 3.48Å; E641-Q644 PolarHBondContact O-N 3.07Å; E641-M645 PolarHBondContact O-N 2.82Å
642Y88.4Confident86.7Confident82 Ų82103.7 Ų103.732%0.32250%0.495SS..Hα-helixtrans-62.4-42.1172.9171.4-114.6000112.6C630 I632 R638 G640 Q644 M645 M646C630-Y642 WeakPolarHBondContact SG-CB 3.39Å; C630-Y642 VanDerWaalsContact SG-CG 3.56Å; I632-Y642 HydrophobicContact CD1-CD2 3.32Å; I632-Y642 HydrophobicContact CD1-CE2 3.85Å; I632-Y642 HydrophobicContact CD1-CG 3.91Å; I632-Y642 HydrophobicContact CG1-CD2 3.72Å; I632-Y642 HydrophobicContact CG1-CE2 3.81Å; R638-Y642 PolarHBondContact O-N 3.16Å; G640-Y642 VanDerWaalsContact C-N 3.34Å; G640-Y642 PolarHBondContact O-N 2.96Å; Y642-Q644 PolarHBondContact O-N 3.36Å; Y642-M645 HydrophobicContact CD2-SD 4.26Å; Y642-M645 PolarHBondContact O-N 2.73Å; Y642-M646 HydrophobicContact CD2-CE 4.48Å; Y642-M646 HydrophobicContact CD2-CG 3.79Å; Y642-M646 HydrophobicContact CE1-CG 4.25Å; Y642-M646 HydrophobicContact CE2-CE 3.9Å; Y642-M646 HydrophobicContact CE2-CG 3.38Å; Y642-M646 HydrophobicContact CE2-SD 3.91Å; Y642-M646 HydrophobicContact CG-CG 4.4Å; Y642-M646 WeakPolarHBondContact O-CB 3.32Å; Y642-M646 VanDerWaalsContact O-CG 3.31Å; Y642-M646 WeakPolarHBondContact O-CG 3.49Å; Y642-M646 PolarHBondContact O-N 2.93Å
643K89.6Confident86.8Confident137 Ų137107.8 Ų107.860%0.59652%0.515SS*.Hα-helixtrans-68.1-14.7171.7-80.6-173.1172.4-162.10113.7I639 G640 E641 R647I639-K643 WeakPolarHBondContact O-CB 3.3Å; I639-K643 VanDerWaalsContact O-CG 3.3Å; I639-K643 WeakPolarHBondContact O-CG 3.32Å; I639-K643 PolarHBondContact O-N 3.26Å; I639-K643 VanDerWaalsContact O-N 3.11Å; G640-K643 CarbonylContact O-C 3.59Å; G640-K643 PolarHBondContact O-N 3.22Å; G640-K643 VanDerWaalsContact O-N 3.17Å; E641-K643 PolarHBondContact O-N 3.31Å; K643-R647 WeakPolarHBondContact O-CG 3.38Å; K643-R647 PolarHBondContact O-NE 3.44Å
644Q90.1Very high87Confident129 Ų129110.3 Ų110.360%0.60351%0.514SS*.Hα-helixtrans-86.5-50171.4-172.8166.8-12.200110.3G640 E641 Y642 M646 R647 S648G640-Q644 PolarHBondContact O-N 3.41Å; E641-Q644 CarbonylContact O-C 3.49Å; E641-Q644 WeakPolarHBondContact O-CA 3.46Å; E641-Q644 WeakPolarHBondContact O-CB 3.48Å; E641-Q644 PolarHBondContact O-N 3.07Å; Y642-Q644 PolarHBondContact O-N 3.36Å; Q644-M646 VanDerWaalsContact C-N 3.33Å; Q644-M646 PolarHBondContact O-N 2.78Å; Q644-R647 PolarHBondContact O-N 2.87Å; Q644-S648 WeakPolarHBondContact O-CB 3.38Å; Q644-S648 PolarHBondContact O-N 3.33Å
645M89.6Confident86.5Confident62 Ų62112.7 Ų112.731%0.30551%0.506SS..Hα-helixtrans-49.6-50.4169.9176.2-154-87.700111.8I632 L637 E641 Y642 R647 S648 R649I632-M645 HydrophobicContact CB-CE 4.33Å; I632-M645 HydrophobicContact CG2-CE 4.04Å; I632-M645 HydrophobicContact CG2-SD 4.09Å; L637-M645 HydrophobicContact CD2-CE 3.64Å; L637-M645 HydrophobicContact CD2-SD 4.44Å; E641-M645 PolarHBondContact O-N 2.82Å; Y642-M645 HydrophobicContact CD2-SD 4.26Å; Y642-M645 PolarHBondContact O-N 2.73Å; M645-R647 VanDerWaalsContact C-N 3.3Å; M645-R647 PolarHBondContact O-N 3.38Å; M645-S648 PolarHBondContact O-N 2.9Å; M645-R649 WeakPolarHBondContact O-CB 3.44Å; M645-R649 PolarHBondContact O-N 3.46Å
646M90.4Very high85.5Confident68 Ų68111.9 Ų111.934%0.33550%0.503SS..Hα-helixtrans-70.5-21.8-179.4-70.1-71.5118.500113.8Y642 Q644 R650Y642-M646 HydrophobicContact CD2-CE 4.48Å; Y642-M646 HydrophobicContact CD2-CG 3.79Å; Y642-M646 HydrophobicContact CE1-CG 4.25Å; Y642-M646 HydrophobicContact CE2-CE 3.9Å; Y642-M646 HydrophobicContact CE2-CG 3.38Å; Y642-M646 HydrophobicContact CE2-SD 3.91Å; Y642-M646 HydrophobicContact CG-CG 4.4Å; Y642-M646 WeakPolarHBondContact O-CB 3.32Å; Y642-M646 VanDerWaalsContact O-CG 3.31Å; Y642-M646 WeakPolarHBondContact O-CG 3.49Å; Y642-M646 PolarHBondContact O-N 2.93Å; Q644-M646 VanDerWaalsContact C-N 3.33Å; Q644-M646 PolarHBondContact O-N 2.78Å; M646-R650 WeakPolarHBondContact O-CB 3.45Å; M646-R650 PolarHBondContact O-N 3.1Å
647R91.8Very high84.5Confident167 Ų167112.2 Ų112.263%0.6351%0.505SS*.Hα-helixtrans-78.7-43.9169-81.4-176.8-67.1155.84.2111K643 Q644 M645 R650 Q651K643-R647 WeakPolarHBondContact O-CG 3.38Å; K643-R647 PolarHBondContact O-NE 3.44Å; Q644-R647 PolarHBondContact O-N 2.87Å; M645-R647 VanDerWaalsContact C-N 3.3Å; M645-R647 PolarHBondContact O-N 3.38Å; R647-R650 PolarHBondContact O-N 3.05Å; R647-R650 VanDerWaalsContact O-N 3.14Å; R647-Q651 PolarHBondContact O-N 3.18Å
648S91.3Very high83.1Confident72 Ų72115.9 Ų115.950%0.50353%0.529SS..Hα-helixtrans-57.5-52.3175-155.90000110.7Q644 M645 R650 Q651 E652Q644-S648 WeakPolarHBondContact O-CB 3.38Å; Q644-S648 PolarHBondContact O-N 3.33Å; M645-S648 PolarHBondContact O-N 2.9Å; S648-R650 PolarHBondContact O-N 3.03Å; S648-Q651 WeakPolarHBondContact O-CA 3.3Å; S648-Q651 WeakPolarHBondContact O-CB 3.29Å; S648-Q651 PolarHBondContact O-N 3.29Å; S648-E652 VanDerWaalsContact O-CB 3.28Å; S648-E652 WeakPolarHBondContact O-CB 3.35Å; S648-E652 PolarHBondContact O-N 3.04Å
649R90.8Very high81.4Confident141 Ų141114.2 Ų114.253%0.53254%0.535SS..Hα-helixtrans-57.8-33.9175.3-175.6-179.3-81.4-90.37.3112.7M645 E652 M653M645-R649 WeakPolarHBondContact O-CB 3.44Å; M645-R649 PolarHBondContact O-N 3.46Å; R649-E652 WeakPolarHBondContact CA-OE2 3.48Å; R649-M653 VanDerWaalsContact O-CB 3.23Å; R649-M653 WeakPolarHBondContact O-CB 3.18Å; R649-M653 PolarHBondContact O-N 2.9Å
650R90.6Very high79.6Confident182 Ų182114 Ų11469%0.68755%0.551SS**Hα-helixtrans-74.6-29.8175.2-179.7177.7-75-149.5-5.4112.9M646 R647 S648 R654M646-R650 WeakPolarHBondContact O-CB 3.45Å; M646-R650 PolarHBondContact O-N 3.1Å; R647-R650 PolarHBondContact O-N 3.05Å; R647-R650 VanDerWaalsContact O-N 3.14Å; S648-R650 PolarHBondContact O-N 3.03Å; R650-R654 WeakPolarHBondContact O-CG 3.45Å; R650-R654 PolarHBondContact O-N 2.91Å
651Q89.5Confident77.4Confident122 Ų122120.6 Ų120.657%0.5757%0.57SS**Hα-helixtrans-76.1-46.9174.6179.2175.6-9.900111R647 S648 M653 R654 Q655R647-Q651 PolarHBondContact O-N 3.18Å; S648-Q651 WeakPolarHBondContact O-CA 3.3Å; S648-Q651 WeakPolarHBondContact O-CB 3.29Å; S648-Q651 PolarHBondContact O-N 3.29Å; Q651-M653 PolarHBondContact O-N 2.99Å; Q651-R654 WeakPolarHBondContact O-CA 3.31Å; Q651-R654 WeakPolarHBondContact O-CB 3.42Å; Q651-R654 PolarHBondContact O-N 2.91Å; Q651-Q655 PolarHBondContact O-N 3.42Å
652E85.7Confident75.2Confident92 Ų92122.8 Ų122.843%0.4359%0.59SS.*Hα-helixtrans-51.1-52.7169.9176.8-176.1-16400111.2S648 R649 R654 Q655 F656S648-E652 VanDerWaalsContact O-CB 3.28Å; S648-E652 WeakPolarHBondContact O-CB 3.35Å; S648-E652 PolarHBondContact O-N 3.04Å; R649-E652 WeakPolarHBondContact CA-OE2 3.48Å; E652-R654 PolarHBondContact O-N 3.34Å; E652-Q655 PolarHBondContact O-N 3.38Å; E652-Q655 VanDerWaalsContact O-N 3.09Å; E652-F656 HydrophobicContact CG-CD2 3.9Å; E652-F656 HydrophobicContact CG-CE2 3.66Å; E652-F656 WeakPolarHBondContact O-CD2 3.47Å; E652-F656 PolarHBondContact O-N 3.32Å
653M80.8Confident73Confident117 Ų117125 Ų12558%0.57662%0.615SS**Hα-helixtrans-59.2-31.2176.3-158.685.5176.600113R649 Q651 F657R649-M653 VanDerWaalsContact O-CB 3.23Å; R649-M653 WeakPolarHBondContact O-CB 3.18Å; R649-M653 PolarHBondContact O-N 2.9Å; Q651-M653 PolarHBondContact O-N 2.99Å; M653-F657 HydrophobicContact CE-CE2 4.42Å; M653-F657 WeakPolarHBondContact O-CD2 3.4Å; M653-F657 PolarHBondContact O-N 3.37Å
654R81.9Confident70.4Confident182 Ų182127.6 Ų127.669%0.68763%0.629SS**Hα-helixtrans-73.2-42.5174.8-78.7174.6173.8-99.1-3.7111.6R650 Q651 E652 F657 T658R650-R654 WeakPolarHBondContact O-CG 3.45Å; R650-R654 PolarHBondContact O-N 2.91Å; Q651-R654 WeakPolarHBondContact O-CA 3.31Å; Q651-R654 WeakPolarHBondContact O-CB 3.42Å; Q651-R654 PolarHBondContact O-N 2.91Å; E652-R654 PolarHBondContact O-N 3.34Å; R654-F657 PolarHBondContact O-N 2.96Å; R654-F657 VanDerWaalsContact O-N 3.16Å; R654-T658 PolarHBondContact O-N 3.44Å; R654-T658 PolarHBondContact O-OG1 3.14Å
655Q72.6Confident68Low123 Ų123128 Ų12858%0.57563%0.634SS**Hα-helixtrans-64.6-38.6177.6-71.3-177.9-45.500112.1Q651 E652 F657 T658Q651-Q655 PolarHBondContact O-N 3.42Å; E652-Q655 PolarHBondContact O-N 3.38Å; E652-Q655 VanDerWaalsContact O-N 3.09Å; Q655-F657 VanDerWaalsContact C-N 3.25Å; Q655-F657 PolarHBondContact O-N 3.48Å; Q655-T658 PolarHBondContact O-N 3.22Å; Q655-T658 VanDerWaalsContact O-N 3.07Å
656F63.2Low65.7Low142 Ų142131.3 Ų131.362%0.62366%0.66SS**Hα-helixtrans-62.8-27.3173.1-81.9-64.1000114E652 V659E652-F656 HydrophobicContact CG-CD2 3.9Å; E652-F656 HydrophobicContact CG-CE2 3.66Å; E652-F656 WeakPolarHBondContact O-CD2 3.47Å; E652-F656 PolarHBondContact O-N 3.32Å; F656-V659 WeakPolarHBondContact O-CG2 3.49Å
657F60.2Low63.1Low166 Ų166135.1 Ų135.173%0.72868%0.68SS**Hα-helixtrans-83.8-11.5173.7-93.9-94.8000113.9M653 R654 Q655M653-F657 HydrophobicContact CE-CE2 4.42Å; M653-F657 WeakPolarHBondContact O-CD2 3.4Å; M653-F657 PolarHBondContact O-N 3.37Å; R654-F657 PolarHBondContact O-N 2.96Å; R654-F657 VanDerWaalsContact O-N 3.16Å; Q655-F657 VanDerWaalsContact C-N 3.25Å; Q655-F657 PolarHBondContact O-N 3.48Å
658T54.8Low60.5Low116 Ų116133.6 Ų133.671%0.71269%0.69SS**Hα-helixtrans-85-26.4178.1-55.30000112.8R654 Q655 G660R654-T658 PolarHBondContact O-N 3.44Å; R654-T658 PolarHBondContact O-OG1 3.14Å; Q655-T658 PolarHBondContact O-N 3.22Å; Q655-T658 VanDerWaalsContact O-N 3.07Å; T658-G660 PolarHBondContact O-N 3.34Å
659V50.2Low57.9Low118 Ų118137 Ų13772%0.71571%0.708SS**SBendtrans-82.831.1-177.9-64.30000113.9F656F656-V659 WeakPolarHBondContact O-CG2 3.49Å
660G45.7Very low55.1Low68 Ų68135.9 Ų135.970%0.70172%0.722SS**  trans-1017.3-168.200000117.1T658T658-G660 PolarHBondContact O-N 3.34Å
661Q40.4Very low52.7Low180 Ų180131.6 Ų131.684%0.84173%0.725SS**SBendtrans-103.6139.8173.4-82.8-166.8-13.500112
662P41.1Very low50Low112 Ų112130.8 Ų130.873%0.72773%0.733SS**PPolyproline II helixtrans-75.2148.7172.232.8-34.5000111Q664P662-Q664 PolarHBondContact O-N 2.82Å
663P42.6Very low47.5Very low129 Ų129134.4 Ų134.484%0.83875%0.752SS**PPolyproline II helixtrans-74.8125.9-179.629.9-33.8000111.6
664Q35.3Very low45.7Very low191 Ų191135.3 Ų135.389%0.89376%0.764SS**PPolyproline II helixtrans-83.3137.2158.8-83.9-159.111.900110.8P662P662-Q664 PolarHBondContact O-N 2.82Å
665I40.6Very low43.3Very low138 Ų138137.4 Ų137.471%0.70877%0.773SS**PPolyproline II helixtrans-71137.5168.944.7172.7000110.5
666P39.8Very low42.5Very low131 Ų131137.5 Ų137.585%0.85179%0.785SS**PPolyproline II helixtrans-77.6131.4176.931.1-33.3000111
667I37.1Very low41.2Very low149 Ų149134.7 Ų134.776%0.76480%0.795SS**  trans-118.8133.6169.3-57.2179.8000108
668T36.1Very low40.1Very low135 Ų135130.3 Ų130.383%0.82880%0.797SS**  trans-76.4136.7-175.247.40000113
669T38Very low39.4Very low143 Ų143132.7 Ų132.788%0.87781%0.805SS**  trans-73.2141.8-178-38.10000113.9
670S32Very low38.8Very low118 Ų118133.7 Ų133.783%0.82581%0.811SS**  trans-136.6167.3155.161.40000109.5
671A39.5Very low38.6Very low92 Ų92139.3 Ų139.376%0.7682%0.821SS**  trans-112.9174.6-149.900000116.7
672S32Very low38.6Very low105 Ų105135.1 Ų135.173%0.73482%0.818SS**  trans78.5149.4167.1-61.60000116.5
673M33.6Very low38.3Very low168 Ų168136.7 Ų136.783%0.82882%0.82SS**  cis-166.4155.7-4.8-120.7179.1-170.600113.4
674V42.6Very low38Very low136 Ų136135.7 Ų135.782%0.82481%0.812SS**  trans56.3146.3159.2-108.80000125.2
675Y32.9Very low37.9Very low226 Ų226132.9 Ų132.989%0.88681%0.808SS**  trans-92.2-177.1160.7-95.8-101.2000110.3
676P54.2Low38.1Very low125 Ų125132.1 Ų132.181%0.81281%0.812SS**  cis-131.3-162.411.940.6-19.8000115.1
677G36.6Very low37.5Very low82 Ų82131.5 Ų131.585%0.84581%0.81SS**  trans-151.7-175.3-177.600000116.6
678G36.4Very low37.7Very low75 Ų75129.8 Ų129.877%0.77381%0.809SS**  trans171.3123.4173.600000118.9
679L40Very low37.3Very low165 Ų165132.1 Ų132.186%0.86481%0.81SS**  trans78.5133.1142.7-59.6-178.1000125.2
680T38.5Very low36.9Very low140 Ų140133.1 Ų133.186%0.85981%0.807SS**  trans86.4160.9151.655.70000122
681M42Very low37Very low185 Ų185133.3 Ų133.391%0.91180%0.804SS**  trans-142.8161.3-151.9-50.4-153.3-59.100115.3
682A39.5Very low36.8Very low92 Ų92133.9 Ų133.976%0.7680%0.802SS**  172.3142.6124.600000116.9
683N35.1Very low37Very low146 Ų146137.8 Ų137.878%0.78181%0.808SS**  trans71.5118.9146.3-79.818.3000126.8
684T35.4Very low36.8Very low108 Ų108135.7 Ų135.766%0.66381%0.809SS**  trans75.586.4132.157.40000123.5
685T32.8Very low36.4Very low132 Ų132134.2 Ų134.281%0.8181%0.805SS**  58.4155.5117.254.50000122.9
686P45.3Very low36.4Very low122 Ų122129.4 Ų129.479%0.79280%0.804SS**  cis-130.8134.2-0.234.3-15.6000116.3
687S27.5Very low35.3Very low117 Ų117127.6 Ų127.682%0.81880%0.8SS**  trans-167133.6142.8-160.40000110.8
688P41.1Very low35.1Very low114 Ų114129.2 Ų129.274%0.7480%0.798SS**  trans-107.7160.5-175.238.9-33.1000114.2
689Q29.1Very low34.6Very low183 Ų183132.7 Ų132.786%0.85580%0.804SS**  cis-167.9141.6-34.5-128.9171.3-1.400107.5
690M29.1Very low34.5Very low165 Ų165129.7 Ų129.781%0.81380%0.797SS**  trans-139.9139171.4-88.1-70.1-79.500110.8
691T33Very low34.9Very low122 Ų122128.7 Ų128.775%0.74879%0.793SS**  trans67.3142.8162.349.80000121.6
692S36Very low34.6Very low103 Ų103127.8 Ų127.872%0.7279%0.787SS**  trans65.995.9154.656.10000122
693E36.4Very low34.9Very low187 Ų187128.5 Ų128.587%0.87478%0.783SS**  49.4109.4121.3-60.2-176158.900121.8
694C28.9Very low35Very low125 Ų125126.3 Ų126.385%0.84578%0.78SS**  -172.3134.2118.2-98.50000114.4
695S34.1Very low34.8Very low105 Ų105129.1 Ų129.173%0.73479%0.789SS**  trans53.2112.5146.9-590000123
696S34Very low35.6Very low124 Ų124127.8 Ų127.887%0.86778%0.782SS**  49.5139.5119.2-52.40000121.6
697A30.3Very low34.8Very low88 Ų88128.3 Ų128.373%0.72778%0.783SS**  cis-151.2163.617.500000114.8
698S31.7Very low35Very low116 Ų116130.1 Ų130.181%0.81178%0.782SS**  trans53.299.4155.861.40000119.9
699V27.1Very low34.4Very low147 Ų147133.3 Ų133.389%0.89179%0.787SS**  -152157.510379.60000110.7
700S36.8Very low34.5Very low102 Ų102129.4 Ų129.471%0.71378%0.78SS**  trans-64.7157.8175.9-147.10000111.8
701P47Very low34.4Very low120 Ų120127.6 Ų127.678%0.77978%0.778SS**  cis-141.7-172.524.142.3-21.4000118.2
702E36.1Very low34.2Very low166 Ų166131.6 Ų131.678%0.77678%0.781SS**  trans-50.4165169.1-93.8-172.994.600116.1
703P46.6Very low33.8Very low107 Ų107133.1 Ų133.170%0.69578%0.781SS**  cis-146.3158.435.740.2-19.2000121.3
704S37.1Very low33.3Very low100 Ų100131.5 Ų131.570%0.69978%0.775SS**  trans50.393.9138.1-57.50000123.6
705I30.7Very low33.1Very low166 Ų166133.8 Ų133.885%0.85177%0.771SS**  trans-142.9-177.7147.6-10.1176.2000110.9
706P48.9Very low32.6Very low105 Ų105135.8 Ų135.868%0.68277%0.772SS**  -126.4166.6-118.143.4-26.3000119
707V29.5Very low32.3Very low133 Ų133137.6 Ų137.681%0.80677%0.767SS**  trans3587.7147.3-170.80000119.2
708I31.4Very low33Very low155 Ų155138.1 Ų138.180%0.79576%0.763SS**  23.5126.7122-56.9166.2000118.9
709Q29.5Very low32.6Very low181 Ų181137.7 Ų137.785%0.84676%0.76SS**  -153.8124.4126-122-179.49.600114.4
710S30.3Very low32.7Very low101 Ų101134.4 Ų134.471%0.70675%0.749SS**  trans49.5123.6148.4-59.40000119
711T27.8Very low32.3Very low126 Ų126137.9 Ų137.977%0.77376%0.756SS**  cis-152.1-160.224.552.80000109.3
712Y28.5Very low31.7Very low207 Ų207138.2 Ų138.281%0.81276%0.755SS**  cis-156.3162.98.149.7-107000114.2
713N27.2Very low31.4Very low135 Ų135136.5 Ų136.572%0.72275%0.752SS**  trans31.7149.7146.5-125.46.2000124.9
714M25.7Very low30.4Very low153 Ų153137.9 Ų137.975%0.75475%0.753SS**  trans91.1107.3154.5-70.9-67.8159.100122.6
715K24.3Very low30Very low173 Ų173137.7 Ų137.775%0.75275%0.752SS**  103.1113.8115.6-164.9169.4-175.3177.90120.9
716L25Very low30Very low146 Ų146138 Ų13876%0.76475%0.749SS**  trans39.4130.4148.2-83.378.9000122
717E26Very low29.8Very low163 Ų163138.3 Ų138.376%0.76275%0.751SS**  24148.9112-77.4-70.1123.600120
718P45.6Very low30Very low99 Ų99137.5 Ų137.564%0.64375%0.747SS**  cis-145.4-17623.144.3-25.6000118.2
719S24.1Very low29.9Very low107 Ų107136.6 Ų136.675%0.74874%0.744SS**  trans72.8155.2148-61.80000120.5
720A28.2Very low29.9Very low78 Ų78130.4 Ų130.465%0.64573%0.728SS**  cis159.6166.7-35.200000109.3
721M29.8Very low29.9Very low174 Ų174133.1 Ų133.186%0.85773%0.73SS**  trans80.8109164.8-55-161.6179.600115.8
722V33Very low30.1Very low128 Ų128134.8 Ų134.878%0.77673%0.734SS**  94135.468.8155.10000109.8
723N30.3Very low30.6Very low130 Ų130133.2 Ų133.270%0.69573%0.734SS**  cis-157.8179.543.1-150.3-4.5000116.1
724N25.3Very low30.9Very low135 Ų135133.8 Ų133.872%0.72273%0.734SS**  trans86.5135.1158.9-51.4-26.8000118.8
725S29.6Very low31.2Very low96 Ų96132.1 Ų132.167%0.67173%0.728SS**  cis-171.4116.3-18.7480000112.8
726E29.7Very low31.7Very low172 Ų172130.4 Ų130.480%0.80472%0.724SS**  trans55.4169.2144.7-71.4-173.6112.400122
727P44.5Very low32.2Very low112 Ų112132.3 Ų132.373%0.72772%0.723SS**  cis-110150.2-3.87.817.4000114.3
728V33.6Very low32.8Very low117 Ų117132 Ų13271%0.70972%0.721SS**  74134.877.5126.30000113.9
729N30.2Very low32.6Very low136 Ų136132.9 Ų132.973%0.72772%0.721SS**  cis-160.5176.2-11.7-145.940.3000112.6
730G29.6Very low33.1Very low51 Ų51136.8 Ų136.853%0.52673%0.725SS.*  trans116.8116.3164.700000114.2
731E30.1Very low34.1Very low158 Ų158141.7 Ų141.774%0.73873%0.734SS**  cis78.6142.33994.8-144.8133.300113.4
732D32.7Very low34.3Very low160 Ų160141.2 Ų141.286%0.85674%0.735SS**  cis-103.5-155.610.4-60-69000115.9
733E38.8Very low34.6Very low175 Ų175142.7 Ų142.782%0.81873%0.733SS**  trans-140.1-46.4-159.2-165171.3-149.400121
734M32.9Very low35.5Very low146 Ų146142.2 Ų142.272%0.71974%0.738SS**  trans-120.9-179.6-160.5-67.6178-17100113.9
735D32.7Very low36Very low119 Ų119144 Ų14464%0.63674%0.739SS**  cis-156.6161.5-4.1-122.8-9.1000108.7
736M34.2Very low36.2Very low136 Ų136144 Ų14467%0.6774%0.739SS**  62.3130.691.9-133.7-139.6-50.800117.9
737Y35.3Very low36.4Very low186 Ų186142.2 Ų142.273%0.72974%0.735SS**  trans68154.7165.2-87.4-125.6000117.5
738E38Very low35.7Very low157 Ų157147.1 Ų147.173%0.73474%0.74SS**  cis-152.5-170.6-19.5-140.5-176.1179.800111.6
739D41.8Very low35.5Very low118 Ų118145.9 Ų145.963%0.63174%0.737SS**  trans-34.5145.1168.1-169.631000118.5
740F34.2Very low35.8Very low189 Ų189144.3 Ų144.383%0.82974%0.737SS**  178.8153.6118.4-114.4-95.8000112.6
741E49.1Very low35.8Very low180 Ų180149.6 Ų149.684%0.84175%0.748SS**  trans-83.2154.1165.8-69-166.9162.800112.1
742D34.4Very low35.7Very low164 Ų164148.6 Ų148.688%0.87775%0.747SS**  trans-157.9141.2141.9-135.8-18.2000112.8
743E39.7Very low35.6Very low159 Ų159148.3 Ų148.374%0.74375%0.746SS**  trans-124.1120.5173.1-176.5-159.4176.300110.1
744P50Low35.2Very low121 Ų121144.6 Ų144.679%0.78675%0.745SS**  trans-110.4141.4163.633.7-25.2000113.5
745K34.1Very low35.5Very low173 Ų173146.7 Ų146.775%0.75275%0.753SS**  trans-84.4156.4-173.6-71.4171.6175.8163.50114.8
746S33.9Very low35.7Very low95 Ų95149.6 Ų149.666%0.66476%0.763SS**  trans37.5141.4138.875.30000121.9
747D34.2Very low36.4Very low135 Ų135147.5 Ų147.572%0.72276%0.759SS**  -165.8144.798.3-98.92.6000114.3
748Y30.1Very low36.6Very low214 Ų214145.8 Ų145.884%0.83977%0.768SS**  trans62.3172.3163.4-89.5-126.8000116.3
749S30.2Very low36.9Very low91 Ų91143.1 Ų143.164%0.63677%0.766SS**  cis-178.3164.9-40.5-940000107.7
750S35.2Very low37.3Very low103 Ų103141.8 Ų141.872%0.7277%0.772SS**  cis-169.7-172.8-19.8-172.50000105.7
751E29.3Very low37.6Very low162 Ų162143.7 Ų143.776%0.75779%0.791SS**  trans69.2140.1176-71.3-176.963.600116.2
752N29.4Very low37Very low137 Ų137141.9 Ų141.973%0.73379%0.788SS**  cis-134.5141.2-1.8-105.1-49.9000110.9
753D30.9Very low37.1Very low155 Ų155140.7 Ų140.783%0.82978%0.784SS**  trans-117.8142.3160.5-161.7-15.5000107.3
754A30.6Very low37Very low96 Ų96139.7 Ų139.779%0.79379%0.786SS**  trans-141.498.6-166.500000111.1
755Q37.9Very low36.2Very low191 Ų191140.8 Ų140.889%0.89379%0.786SS**  trans-135.1114.7177.3-166.4171.337.100111.2
756E36.4Very low36.3Very low180 Ų180138.8 Ų138.884%0.84179%0.788SS**  trans-150.2157.2172.5-101.3-137.3130.200109.4
757P50.6Low36.5Very low92 Ų92141.7 Ų141.760%0.59780%0.796SS**  cis-132.3168-33.934-17.9000112.7
758V37.8Very low36.7Very low149 Ų149142.2 Ų142.290%0.90380%0.802SS**  trans-119121155.7177.50000107.2
759S45.6Very low37.2Very low101 Ų101136.7 Ų136.771%0.70680%0.799SS**  trans-78.6140.8-168.8-44.90000113.6
760A49.7Very low37.7Very low91 Ų91140.5 Ų140.575%0.75281%0.812SS**  trans54.5144.7151.500000118.4
761N39.5Very low38Very low229 Ų229143.9 Ų143.9100%1.22582%0.821SS**  cis-157.8026.6-167.174000111.2

Retrieved 761 of 761 residues in 150.9 ms (Link to these results)