A0A087XCU5_POEFO Loading...

KAT8 regulatory NSL complex subunit 1 like

AlphaFold DB , UniProt , Accession A0A087XCU5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 918 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
1M36Very low38.3Very low248 Ų248146.5 Ų146.5100%1.22280%0.802SS**  01510-64.516974.500108.2
2A38.2Very low37.7Very low87 Ų87142.4 Ų142.472%0.71978%0.779SS**  trans-102.1-175.6166.300000108.1
3P56.6Low37.5Very low121 Ų121146.5 Ų146.579%0.78679%0.789SS**  cis-112.5176.822.245.6-35.6000112.4
4A39.6Very low36.9Very low86 Ų86140.8 Ų140.871%0.71178%0.782SS**  cis85.2122.714.400000117.7
5L39.1Very low36.4Very low173 Ų173141.3 Ų141.391%0.90678%0.781SS**  trans-174157145.5-106.9176.5000112.4
6T42.9Very low35.9Very low114 Ų114142.1 Ų142.170%0.69978%0.776SS**  trans-153.7153.6-173.749.10000113.6
7K37.1Very low35.5Very low202 Ų202142.7 Ų142.788%0.87878%0.778SS**  trans-154.9145154-69.6-166.7-179.3-179.90108.1
8I34.5Very low35.2Very low142 Ų142141.9 Ų141.973%0.72878%0.784SS**  cis90.197.94.4-46.4168000116.1
9L30Very low34.9Very low153 Ų153140.2 Ų140.280%0.80178%0.783SS**  trans145.9126.1162.4-89.2166.3000108.4
10K34.1Very low35.6Very low147 Ų147139 Ų13964%0.63978%0.782SS**  cis85100.3-10.8-152.2-85.8174.3177.70120.3D12K10-D12 WeakPolarHBondContact CE-OD1 3.39Å; K10-D12 IonicContact NZ-OD1 3.29Å; K10-D12 PolarHBondContact NZ-OD1 2.98Å; K10-D12 IonicContact NZ-OD2 2.6Å; K10-D12 PolarHBondContact NZ-OD2 3.01Å
11N33.5Very low35.9Very low138 Ų138137.7 Ų137.774%0.73878%0.779SS**  trans-152.3133.1146.7-77.9-26.6000104.5
12D31.4Very low35.5Very low98 Ų98130.1 Ų130.152%0.52476%0.756SS.*  cis93.8149.744-75.1-18.9000114.6K10K10-D12 WeakPolarHBondContact CE-OD1 3.39Å; K10-D12 IonicContact NZ-OD1 3.29Å; K10-D12 PolarHBondContact NZ-OD1 2.98Å; K10-D12 IonicContact NZ-OD2 2.6Å; K10-D12 PolarHBondContact NZ-OD2 3.01Å
13H34.9Very low35.2Very low195 Ų195130.9 Ų130.990%0.90376%0.756SS**  trans75.3141.3-172.5-37.3-65.5000116.3
14G29Very low33.7Very low67 Ų67131.8 Ų131.869%0.69176%0.759SS**  cis173.880-9.200000119
15I28.9Very low33.2Very low149 Ų149131.7 Ų131.776%0.76476%0.758SS**  trans61.8154.1146.1-13.7-180000121.9
16H29Very low32.8Very low153 Ų153129.3 Ų129.371%0.70875%0.75SS**  trans78.9129.4165.1-58.6-65.1000117.6
17L29.4Very low32.1Very low153 Ų153130.6 Ų130.680%0.80175%0.753SS**  cis107.9106.924.5-83.6-169.5000112.2
18S29.9Very low32Very low129 Ų129126.4 Ų126.490%0.90275%0.749SS**  trans175.3164.6137.154.40000114.4
19S28.9Very low31.7Very low109 Ų109126.6 Ų126.676%0.76275%0.752SS**  trans-160.2-178176.561.20000108.1
20P49.1Very low31.6Very low116 Ų116123.3 Ų123.375%0.75375%0.746SS**  cis-97.4-119.7-14.539.8-26.1000109.8
21P42.7Very low31.3Very low111 Ų111121.2 Ų121.272%0.72175%0.75SS**  cis-101.6-166.5-5.445.1-34.7000111.7
22A27.7Very low31Very low89 Ų89118.9 Ų118.974%0.73675%0.75SS**  cis78.2142.912.900000117.4
23S30.9Very low30.8Very low103 Ų103121.9 Ų121.972%0.7277%0.765SS**  cis-173.7167.2-12.447.60000110.6
24V26.3Very low30.4Very low141 Ų141119.5 Ų119.586%0.85576%0.758SS**  trans74.7151.6171.3-171.90000113.2
25A28.3Very low30.2Very low83 Ų83121.1 Ų121.169%0.68676%0.757SS**  cis-141.1155.17.300000110.3
26V30.8Very low30Very low123 Ų123119.7 Ų119.775%0.74576%0.756SS**  85.4106.668.8178.80000116.1
27D28.8Very low30Very low142 Ų142118 Ų11876%0.75976%0.756SS**  trans59.4151.8140.6-55.5-8.4000127
28S33.2Very low29.7Very low114 Ų114118.6 Ų118.680%0.79775%0.754SS**  trans76.7160.8148.2-69.60000122
29D28.4Very low29.8Very low146 Ų146119.7 Ų119.778%0.78175%0.75SS**  cis-172.9162.6-43.4-151.7-19.5000108.4
30A28.2Very low29.6Very low83 Ų83122 Ų12269%0.68675%0.748SS**  trans62.1172161.500000116.4
31S28.4Very low29.5Very low103 Ų103120.7 Ų120.772%0.7274%0.74SS**  cis-161134.1-21.7350000111.8
32A26.4Very low28.7Very low90 Ų90122.4 Ų122.474%0.74474%0.738SS**  trans53.3176.7131.600000122.8
33I27.7Very low28.8Very low160 Ų160125.4 Ų125.482%0.82174%0.741SS**  trans76.8136.7168.3-56171.8000115.2
34L25.6Very low28.6Very low146 Ų146131.2 Ų131.276%0.76475%0.747SS**  cis-175.4173.7-35.1-123.8173.5000108.6
35C25.8Very low29.8Very low100 Ų100129.9 Ų129.968%0.67674%0.741SS**  trans70.3153.9159.3-64.80000117.9
36T25.1Very low29.9Very low119 Ų119130.4 Ų130.473%0.7375%0.745SS**  cis-166.2-179.7-12.921.60000109.8
37V27.7Very low29.8Very low118 Ų118131.9 Ų131.972%0.71575%0.749SS**  trans97.5107.4159.5-175.40000113.6
38E24.2Very low29.9Very low165 Ų165132.3 Ų132.377%0.77175%0.752SS**  75.1138.480.2-112.4-179.7-163.400112.3
39L31.3Very low29.8Very low153 Ų153130.9 Ų130.980%0.80175%0.754SS**  cis-142.6172.718.3-83.6156.6000112.7
40E25.7Very low30.1Very low157 Ų157130.2 Ų130.273%0.73475%0.751SS**  trans-77.7-172.9157.9-135.1-127.6121.400109.1H42E40-H42 PolarHBondContact OE1-N 2.92Å
41P45.5Very low30.5Very low89 Ų89131.1 Ų131.158%0.57874%0.744SS**  cis-145.5-177.614.840.6-17.5000120.5
42H26.5Very low30.7Very low146 Ų146134.9 Ų134.968%0.67675%0.75SS**  trans104.2126.9135.8-80.2-16.6000124.2E40E40-H42 PolarHBondContact OE1-N 2.92Å
43L29.7Very low31.1Very low152 Ų152138.7 Ų138.780%0.79675%0.75SS**  trans81.481.1136.3-64.2168.6000122.9
44R26.8Very low31.2Very low226 Ų226137.2 Ų137.285%0.85374%0.742SS**  -4166.1109.9-72.5-68.5-150.9148.69.1119.1
45P52.8Low31.2Very low112 Ų112134.8 Ų134.873%0.72774%0.737SS**  cis-139.2-148-14.639.5-17.7000113.5
46A29.5Very low31.3Very low94 Ų94137.5 Ų137.578%0.77774%0.744SS**  trans94.6134.6159.800000118
47D29.5Very low31.6Very low155 Ų155139.3 Ų139.383%0.82975%0.75SS**  cis-154.6174.3-18.9-153.111.4000112.4
48D30.2Very low31.5Very low151 Ų151141.4 Ų141.481%0.80776%0.756SS**  trans-66.5160.8-171.6-76.1-37.2000117.1
49G31.2Very low31.8Very low83 Ų83139.2 Ų139.286%0.85676%0.758SS**  trans-15232.4179.200000114.4
50D33.6Very low31.6Very low133 Ų133137.8 Ų137.871%0.71176%0.76SS**  trans-62162.7176-123.7-12.8000111
51L37.6Very low31.7Very low101 Ų101138.8 Ų138.853%0.52977%0.77SS.*  cis-169.2136.130.5-144.2170.3000110.4K53 I54L51-K53 HydrophobicContact CD2-CG 4.29Å; L51-I54 HydrophobicContact CD2-CD1 3.81Å
52Q33.4Very low30.7Very low183 Ų183138.5 Ų138.586%0.85578%0.782SS**SBendtrans-15684.8138.4-123.817499.500115.7
53K33.2Very low30.7Very low170 Ų170140.8 Ų140.874%0.73979%0.787SS**  trans59.190.4145.4-60.5176.7-178.2175.30117L51L51-K53 HydrophobicContact CD2-CG 4.29Å
54I30.3Very low30.6Very low129 Ų129141.8 Ų141.866%0.66279%0.792SS**  66.291.370.1-57.6171.1000110.8L51L51-I54 HydrophobicContact CD2-CD1 3.81Å
55S25.9Very low30.6Very low95 Ų95136.7 Ų136.766%0.66478%0.781SS**  90.615889.896.90000112.4
56L28.1Very low29.7Very low156 Ų156136.1 Ų136.182%0.81778%0.778SS**  cis-134.7152.844.7-73.3160.4000114.1
57N31.9Very low29.6Very low158 Ų158138 Ų13885%0.84578%0.78SS**  trans-87.7143.4149.1-85.3-77.9000108.8
58L25.2Very low29.6Very low161 Ų161137.1 Ų137.184%0.84378%0.775SS**  trans-167.3142.6149.9-110.2172.6000111
59C30.5Very low29.7Very low120 Ų120135.9 Ų135.981%0.81178%0.775SS**  trans-125.4113.5169.1-64.10000109
60S25.9Very low29.9Very low122 Ų122138 Ų13885%0.85377%0.774SS**  trans-174.5166.8155.8-86.60000112.2
61L28.2Very low29.6Very low179 Ų179135.6 Ų135.694%0.93777%0.772SS**  trans-67.5154.5-171.7-76.964.6000114.9
62G24.7Very low29.2Very low82 Ų82138.2 Ų138.285%0.84579%0.787SS**  trans-166.6128.115900000110.8
63Y27.1Very low29.4Very low194 Ų194134.9 Ų134.976%0.76178%0.781SS**  trans-125.4129.5-175.9-173.9-72.9000109.4
64L26.3Very low29.3Very low173 Ų173132.1 Ų132.191%0.90678%0.783SS**  trans-152.3132.6156.1-87.6-170.4000111.6
65D27.2Very low29.6Very low119 Ų119130.2 Ų130.264%0.63678%0.779SS**  trans-85.2-175.8162.9-114-30.2000109.6
66P35Very low29.7Very low101 Ų101135.3 Ų135.366%0.65679%0.79SS**  cis-132.1-172.5-3.740.3-23.5000114.1
67V27.6Very low29.7Very low134 Ų134131.9 Ų131.981%0.81278%0.784SS**  -170.6142.8127.5140.90000110.9
68D29.1Very low29.5Very low136 Ų136130.5 Ų130.573%0.72779%0.785SS**  trans-79.6169.3-168.5-46-99.6000116
69P31.3Very low29.5Very low124 Ų124126.2 Ų126.281%0.80578%0.78SS**  -114.2157.9117.533.9-34.5000113.2
70P35.7Very low30.2Very low128 Ų128126.5 Ų126.583%0.83178%0.78SS**  trans-90.4167.2-142.834.5-39000116.9
71A28.3Very low30.3Very low82 Ų82125 Ų12568%0.67878%0.775SS**  trans-93.9168.2179.300000114.6
72N29.2Very low30.3Very low156 Ų156121.5 Ų121.583%0.83476%0.764SS**  trans75.6159.7160.3-57.5-39.9000118.2
73P36.9Very low30.5Very low113 Ų113126.2 Ų126.273%0.73476%0.764SS**  cis-119.6161.4-7.139.5-27.4000114.2
74S30.3Very low30.5Very low112 Ų112120.2 Ų120.278%0.78376%0.762SS**  trans-84.4156.9151.161.50000109.7
75P37.2Very low30.7Very low90 Ų90121.8 Ų121.858%0.58476%0.764SS**  -151.3168.5117.135.1-17.1000115.7
76F27.2Very low30.8Very low202 Ų202119.3 Ų119.389%0.88677%0.766SS**  trans71.7143.7165.8-55.3-60.1000117.2
77A29.1Very low30.4Very low83 Ų83123.4 Ų123.469%0.68678%0.777SS**  cis-149.8156-2.400000113.4
78C27.4Very low30.4Very low130 Ų130124.1 Ų124.188%0.87877%0.773SS**  trans53.6139147-63.50000122.8
79G25.1Very low30.5Very low71 Ų71123.3 Ų123.373%0.73277%0.773SS**  trans-89.5-141161.700000112.4
80P45.7Very low30.2Very low126 Ų126122 Ų12282%0.81877%0.772SS**  cis-135.4172.229.942.9-26.9000117.4
81A27.9Very low30.1Very low91 Ų91127.1 Ų127.175%0.75278%0.775SS**  trans33.1147.7139.800000122
82C27.2Very low30.4Very low104 Ų104129.3 Ų129.370%0.70378%0.783SS**  cis-168.8-178.5-4.4-110.20000107.6
83H29.7Very low30.6Very low181 Ų181126.1 Ų126.184%0.83878%0.778SS**  cis-130.3-153.45.8-107.9-51.6000108.7
84G27.6Very low30.6Very low69 Ų69126.6 Ų126.671%0.71178%0.781SS**  cis87.8131.616.200000112.5
85Q30.3Very low30.4Very low206 Ų206124.8 Ų124.896%0.96378%0.78SS**  cis-122.7166.60.8-64.5178.6-28.800110.5
86G28.1Very low29.9Very low66 Ų66128.8 Ų128.868%0.6880%0.795SS**  cis171.2154.2-6.700000112.8
87E28Very low29.9Very low187 Ų187127.5 Ų127.587%0.87480%0.797SS**  trans59.4149.7162.3-64-171.8114.900119.7
88M27.4Very low29.8Very low150 Ų150129.8 Ų129.874%0.73980%0.802SS**  cis-152.9160.112.4-143.4172.367.200113.3
89V29.9Very low29.7Very low118 Ų118129.3 Ų129.372%0.71580%0.8SS**  trans66.9101.4162.1-165.90000120.8
90A26.5Very low29.7Very low97 Ų97132.9 Ų132.980%0.80280%0.802SS**  trans35.9137132.400000124
91R32.7Very low28.8Very low235 Ų235133 Ų13389%0.88780%0.803SS**  trans-122.1151.9154.2-136.2177.9-175.2-175.61107.4
92P34.7Very low28.6Very low129 Ų129133.5 Ų133.584%0.83880%0.799SS**  -143.6-166.594.538.3-22000113.1
93A34Very low28.4Very low88 Ų88136.9 Ų136.973%0.72780%0.802SS**  trans-111.6160.3-175.600000113.1
94P35.4Very low28.2Very low124 Ų124134.3 Ų134.381%0.80580%0.804SS**  trans-101.5160.4146.536.4-28.4000110.6
95G26.5Very low28.1Very low73 Ų73139.3 Ų139.375%0.75381%0.807SS**  cis118.497.37.500000110.5
96L26.9Very low27.8Very low175 Ų175135 Ų13592%0.91680%0.797SS**  trans-80136.9172.6-78.6166.1000110.1
97L28.4Very low27.7Very low174 Ų174140 Ų14091%0.91180%0.803SS**  trans-136.9146.5164.1-80.9177.6000110.3
98V25.8Very low27.7Very low131 Ų131141.5 Ų141.579%0.79480%0.801SS**  trans-108.1145.1178.3172.30000108.8
99S25.9Very low27.6Very low120 Ų120142.5 Ų142.584%0.83980%0.804SS**  trans-138.3131.8158.647.60000110.3
100L25.2Very low27.5Very low147 Ų147141.6 Ų141.677%0.7780%0.802SS**  trans-96.7164.6171.3-72.1161.1000108.9
101P26.3Very low27.5Very low129 Ų129147.8 Ų147.884%0.83881%0.805SS**  -131.3-168.6106.738-30.2000112.8
102C23.6Very low27.2Very low100 Ų100144.7 Ų144.768%0.67680%0.801SS**  trans-144.6167.4-156.4-144.40000114.4
103F24.1Very low26.6Very low176 Ų176145.2 Ų145.277%0.77280%0.801SS**  trans55123.1163.1-78.8-73.8000121.7
104S24.6Very low26Very low126 Ų126144.8 Ų144.888%0.88180%0.798SS**  -147.7175.5103.957.90000109.5
105K25.9Very low25.4Very low175 Ų175145.2 Ų145.276%0.76180%0.798SS**  trans-151.1162.9-162.8-163.2-179.4178.7-175.90112.1
106C24.1Very low25.3Very low114 Ų114148 Ų14877%0.7780%0.801SS**  trans77.2156.5177.7-56.60000114.1
107Q25Very low25.5Very low171 Ų171149 Ų14980%0.79980%0.798SS**  cis-135.4165.28.9-164.8164.1-12.100112.1
108R29.8Very low25.6Very low220 Ų220147 Ų14783%0.8380%0.796SS**  trans-121.8133.4173.7171.3-148.4-68.9176.8-3.7107.5
109E24.9Very low25.6Very low171 Ų171144.2 Ų144.280%0.79979%0.793SS**  trans-155.3165.9154.1-135.8113.1-116.200111.6
110S27.5Very low25.7Very low98 Ų98142.8 Ų142.869%0.68579%0.789SS**  trans-159.7139.8-179.555.70000111
111R25.9Very low25.8Very low228 Ų228141.9 Ų141.986%0.8679%0.789SS**  trans174.3125.9144.8-99156-174.3-168-0.4114.4
112Q25.7Very low25.8Very low169 Ų169142.1 Ų142.179%0.7978%0.783SS**  55.5138.1125.3-80.6173.4-26.400124.2
113V22.5Very low26Very low141 Ų141143.9 Ų143.986%0.85578%0.783SS**  trans96.6131145.31700000120.5
114A21.8Very low26.2Very low79 Ų79143.7 Ų143.765%0.65378%0.783SS**  trans-54.1157.2-177.400000116.4
115T23.9Very low26.3Very low132 Ų132145.4 Ų145.481%0.8178%0.781SS**  -163.7-170.46934.90000110
116V22.7Very low26.2Very low133 Ų133144 Ų14481%0.80678%0.78SS**  cis-152.8175.317.2-142.90000110.8
117F31Very low27.1Very low195 Ų195143.5 Ų143.586%0.85578%0.775SS**  trans-90.7166.9160.8-74.6-91.1000111.8
118P32Very low27.3Very low133 Ų133142 Ų14286%0.86477%0.772SS**  -133.6158.192.137.7-27.3000111.2
119G25.7Very low27.6Very low72 Ų72137.2 Ų137.274%0.74277%0.77SS**  cis147.9165.128.300000105.5
120A27.2Very low27.9Very low90 Ų90136 Ų13674%0.74476%0.764SS**  cis-152.1-177.5-0.800000109.4
121T27Very low28.3Very low127 Ų127138.4 Ų138.478%0.77976%0.764SS**  trans10.8149.616029.30000121.9
122D26.4Very low28.3Very low134 Ų134134.8 Ų134.872%0.71776%0.762SS**  cis-152.5-179.725.1-141-27.9000114.8
123M27.7Very low28.5Very low137 Ų137131.9 Ų131.968%0.67576%0.76SS**  trans-79.5175.6-169.3-62.1-170.7-75.300116.9
124F28.9Very low28.9Very low173 Ų173134.3 Ų134.376%0.75976%0.762SS**  trans106.4139.1143.4-70-60.3000122
125L27.7Very low29.1Very low161 Ų161140.1 Ų140.184%0.84378%0.776SS**  trans97.7151.4141.3-81.1161.3000123.2
126I23.9Very low29.2Very low146 Ų146138.4 Ų138.475%0.74978%0.775SS**  trans-145.8155.2-167.6-58.5166.9000103.9
127P41.9Very low29.5Very low103 Ų103140.3 Ų140.367%0.66978%0.78SS**  cis-127.9-169.6-28.437.7-20.1000112.9
128L29.2Very low29.5Very low139 Ų139138.1 Ų138.173%0.72878%0.776SS**  trans61.1178.4150.3-109.274.5000118.6E130L128-E130 HydrophobicContact CD2-CG 4.32Å
129P36Very low29.4Very low120 Ų120139.4 Ų139.478%0.77978%0.775SS**  -133.1159105.439-31.1000114.9
130E30.7Very low29.5Very low147 Ų147145.3 Ų145.369%0.68778%0.783SS**  trans-82-165.9168-60151.7123.400109.1L128L128-E130 HydrophobicContact CD2-CG 4.32Å
131H36.3Very low29.5Very low148 Ų148144.6 Ų144.669%0.68578%0.784SS**  cis-168.116523-126.6-38.9000109.8
132N26.9Very low29.5Very low152 Ų152148 Ų14881%0.81379%0.791SS**  trans154.4142136.2-80.2-20.1000110.8
133S30.1Very low29.6Very low108 Ų108146.6 Ų146.676%0.75579%0.792SS**  cis-165.1154.6-16.746.30000108.4
134Q29.6Very low29.4Very low191 Ų191146.7 Ų146.789%0.89380%0.8SS**  trans-85.2148.9175.7-62.8171.6-6800112.1
135E27.1Very low29.4Very low201 Ų201146.9 Ų146.994%0.93980%0.803SS**  trans-138.1163.5141.4-77-160.5152.500108.8
136A25.4Very low30.6Very low96 Ų96144.1 Ų144.179%0.79380%0.795SS**  trans-146.7160-174.700000111
137L28Very low30.8Very low174 Ų174145.1 Ų145.191%0.91180%0.797SS**  trans-168.5173149-107.1166.2000111.8
138L30.9Very low30.2Very low148 Ų148145.7 Ų145.778%0.77580%0.801SS**  trans-117.3151.5-163.2-66154.6000112.5
139L30.8Very low30.2Very low161 Ų161142.5 Ų142.584%0.84380%0.803SS**  159.9138.8117.1-86.5171.4000115.4
140H28.6Very low30.8Very low196 Ų196142.8 Ų142.891%0.90780%0.804SS**  trans55.7133145.2-116.956.4000122.9
141G25.6Very low30.8Very low75 Ų75143.9 Ų143.977%0.77382%0.815SS**  trans163.8137.2164.800000113.3
142Q28.2Very low30.6Very low198 Ų198140.4 Ų140.493%0.92582%0.819SS**  trans-120.3165.7177.1-69.1179.3-62.300111.6
143S27.1Very low30.7Very low105 Ų105136.8 Ų136.873%0.73482%0.818SS**  trans94.8102.9144.4-1650000121.3
144V25.3Very low30.8Very low139 Ų139139.2 Ų139.284%0.84282%0.822SS**  81.2146.6129.9175.20000120.7
145Q28.1Very low30.7Very low176 Ų176135.5 Ų135.582%0.82281%0.813SS**  trans-75.6179.3176.3-109.4-173.8-46.700113.3
146P52.2Low30.9Very low103 Ų103133.1 Ų133.167%0.66981%0.805SS**  cis-124.5-138.43.829.1-2.4000111.4
147E28.6Very low30.9Very low168 Ų168137.8 Ų137.879%0.78581%0.811SS**  cis-158.9-149.17.2-146.4-155.4-89.600114.3
148C29.5Very low30.9Very low114 Ų114134.7 Ų134.777%0.7780%0.803SS**  trans-72.4155.1-164-64.20000118.7
149G30Very low30.7Very low73 Ų73132.7 Ų132.775%0.75380%0.802SS**  trans163.7124.5162.100000112.7
150P48.6Very low30.6Very low125 Ų125132.1 Ų132.181%0.81280%0.799SS**  trans-107.8163-161.540-36.7000117.9
151D30.4Very low30.5Very low170 Ų170129.6 Ų129.691%0.90979%0.79SS**  trans73.3136.1152.2-105.4-34.5000122
152G31.9Very low30.8Very low76 Ų76135.1 Ų135.178%0.78479%0.793SS**  trans152.847.8-173.800000113.6
153G29.3Very low31.5Very low76 Ų76131.3 Ų131.378%0.78479%0.786SS**  trans-85.6135.3-174.500000114.7
154D31.1Very low31.4Very low158 Ų158131 Ų13185%0.84578%0.784SS**  trans-154.5163.8167-147.1-21.3000110
155V28Very low31.4Very low114 Ų114130.9 Ų130.969%0.69178%0.783SS**  trans73.8105.4173.8-170.20000119.1
156L31.5Very low31.4Very low150 Ų150127.8 Ų127.879%0.78578%0.78SS**  trans36.4131.5138.2-52.6174000122.1
157H24.7Very low30.8Very low195 Ų195129 Ų12990%0.90379%0.788SS**  -166.8-175.4111.4-107-73.8000112.3
158S28.9Very low30.8Very low108 Ų108125.4 Ų125.476%0.75578%0.781SS**  trans-110.5178.7-163.5-169.30000114.1
159S26.1Very low30.8Very low107 Ų107130.5 Ų130.575%0.74879%0.786SS**  trans101.8148.9174.2-48.50000115.6
160L28.6Very low30.9Very low149 Ų149131.2 Ų131.278%0.7878%0.779SS**  cis-176.7168.1-26.6-112.8164.6000109.3
161I26.2Very low29.9Very low142 Ų142134.6 Ų134.673%0.72878%0.784SS**  trans81.8118.2156.9-65.8150.6000121.2
162F33.3Very low29.7Very low191 Ų191129.5 Ų129.584%0.83877%0.771SS**  trans14.5165.2137.2-67.1-77.2000123.6
163P42.1Very low29.5Very low119 Ų119135.5 Ų135.577%0.77378%0.779SS**  cis-123.1-162.216.537.6-16000113.7
164S24.5Very low29.5Very low99 Ų99141.3 Ų141.369%0.69279%0.785SS**  cis-167.6140.923.2-169.20000114.9
165V25.7Very low29.3Very low136 Ų136138.1 Ų138.182%0.82478%0.781SS**  trans60.6140.7147.6172.40000121.8
166C28.1Very low29.4Very low111 Ų111138.5 Ų138.575%0.7579%0.789SS**  trans-97180177.6-50.90000113.5
167P38.8Very low29.4Very low129 Ų129139.3 Ų139.384%0.83879%0.789SS**  -142.3163.596.938-24.4000116.5
168S29.2Very low29.5Very low92 Ų92138.1 Ų138.164%0.64379%0.789SS**  trans-75.8168170.9-49.90000111.6
169Y28.7Very low29.8Very low220 Ų220139.9 Ų139.986%0.86379%0.789SS**  cis-165.1174.245.2-78.8-92.8000109
170S33.3Very low29.8Very low88 Ų88140.6 Ų140.662%0.61579%0.789SS**  cis-177.9166.4-27.761.10000109.6
171H28.1Very low29.8Very low197 Ų197137.9 Ų137.991%0.91278%0.783SS**  trans65.1146.4-176.3-75.1-101.8000115.4
172G26.4Very low30Very low62 Ų62139.6 Ų139.664%0.63979%0.79SS**  cis-178.8-174.2-4.600000113.2
173E26.4Very low29.9Very low202 Ų202140.5 Ų140.594%0.94479%0.789SS**  trans72.3164.5174.9-55.2-163.8132.900118
174Q28.7Very low29.1Very low198 Ų198139.7 Ų139.793%0.92579%0.793SS**  trans-118.7149.4-147.7-65.5169.4-22.600113.4
175A27.3Very low29.2Very low92 Ų92141.5 Ų141.576%0.7680%0.799SS**  trans-120.9112.7171.800000111
176S30.9Very low29.3Very low122 Ų122143.2 Ų143.285%0.85380%0.798SS**  trans-88115.6170.845.60000110.4
177Q31.9Very low29.4Very low167 Ų167143.1 Ų143.178%0.7880%0.797SS**  trans-93.1129177.9-63.9-1781.700110.4L179Q177-L179 PolarHBondContact O-N 3.08Å
178N27.2Very low28.7Very low170 Ų170146.1 Ų146.191%0.90980%0.797SS**  trans-85.3112.6175.9-84.2-57.8000111.6
179L33.4Very low28.8Very low144 Ų144149 Ų14975%0.75480%0.802SS**  trans-151.3137173.6-94.5168.3000104.2Q177Q177-L179 PolarHBondContact O-N 3.08Å
180T26.3Very low28.8Very low122 Ų122145.8 Ų145.875%0.74880%0.796SS**  cis-160.9158.338.6-89.90000110.8
181S29.5Very low28.7Very low93 Ų93151 Ų15165%0.6580%0.804SS**  trans-76.3144.2167.5170.50000111.8
182M30.2Very low28.8Very low177 Ų177149.4 Ų149.487%0.87280%0.797SS**  trans-173.4164.3136.4-102.9-62.4-124.400113.2
183Y30.3Very low29.2Very low211 Ų211152.8 Ų152.883%0.82780%0.796SS**  trans-97.3144.8-176.4-67.9-100.9000113
184A25.5Very low29.5Very low102 Ų102151.6 Ų151.684%0.84380%0.795SS**  trans-117150.9162.200000110.6
185T27.5Very low29.7Very low136 Ų136150.9 Ų150.983%0.83479%0.792SS**  trans-107.7131.5-161.4-57.50000113.4
186Q27.5Very low30.1Very low172 Ų172154.6 Ų154.680%0.80479%0.791SS**  trans-73134.5176.8-77.5-76.9-20.400112.5
187P30.8Very low30.1Very low110 Ų110157.1 Ų157.171%0.71479%0.794SS**  trans-76.5141.2177.731.3-34.5000112.3
188K24Very low30Very low192 Ų192155.2 Ų155.284%0.83580%0.798SS**  trans-99.597.2-173.6-171.4179.6-177.8-178.60111.6
189M30.2Very low30.4Very low152 Ų152152.3 Ų152.375%0.74979%0.788SS**  trans-67.9131174.9-72.2-65.4-74.600111.8Y191M189-Y191 HydrophobicContact CE-CE2 4.31Å
190M29Very low30.6Very low153 Ų153150.9 Ų150.975%0.75479%0.787SS**  trans-94.6133.6171.1-69.9-80.6-70.500109.4
191Y30.9Very low31.1Very low198 Ų198151.3 Ų151.378%0.77679%0.792SS**  trans-136.7117.8166.3-95.3-82.7000108.7M189M189-Y191 HydrophobicContact CE-CE2 4.31Å
192E30.8Very low31.2Very low163 Ų163153.6 Ų153.676%0.76280%0.802SS**  trans-148.9143.6171.5-165.4157.4-137.700111.1
193E34.3Very low31.2Very low133 Ų133150.1 Ų150.162%0.62180%0.802SS**  trans59.388.3164.6-165.8149.1-109.300120K196E193-K196 WeakPolarHBondContact OE1-CD 3.24Å; E193-K196 VanDerWaalsContact OE1-CE 3.31Å; E193-K196 WeakPolarHBondContact OE1-CE 3.42Å; E193-K196 IonicContact OE1-NZ 2.62Å; E193-K196 PolarHBondContact OE1-NZ 3.33Å
194L33Very low31.3Very low176 Ų176144 Ų14492%0.92180%0.795SS**  trans-144.849.2150.7-159.383.5000114
195E32.7Very low31.7Very low183 Ų183146.5 Ų146.586%0.85579%0.793SS**  trans-151.169.6175.9-147172-118.300114.5
196K35.6Very low31.8Very low170 Ų170149.6 Ų149.674%0.73979%0.79SS**  trans-141.139.6177.6-71-176.4-176156.60115E193E193-K196 WeakPolarHBondContact OE1-CD 3.24Å; E193-K196 VanDerWaalsContact OE1-CE 3.31Å; E193-K196 WeakPolarHBondContact OE1-CE 3.42Å; E193-K196 IonicContact OE1-NZ 2.62Å; E193-K196 PolarHBondContact OE1-NZ 3.33Å
197L31.5Very low32.2Very low176 Ų176147.8 Ų147.892%0.92178%0.781SS**  trans-138.683.9174.6-75.6179.4000114.2
198C29.6Very low32.1Very low127 Ų127151.9 Ų151.986%0.85879%0.788SS**  trans-160.4139.6147-131.80000111
199P36.7Very low32.4Very low109 Ų109146.5 Ų146.571%0.70879%0.787SS**PPolyproline II helixtrans-88.2155.2-175.134.8-35.2000113.5
200P37.6Very low32.9Very low113 Ų113146.7 Ų146.773%0.73480%0.797SS**PPolyproline II helixtrans-74.5145.9170.232.1-34.5000111.5T202P200-T202 PolarHBondContact O-N 2.6Å
201P35Very low32.9Very low131 Ų131143 Ų14385%0.85180%0.799SS**PPolyproline II helixtrans-71.7120.8178.528.4-34000111.8A203P201-A203 PolarHBondContact O-N 2.74Å
202T32.2Very low33.5Very low142 Ų142143.8 Ų143.887%0.87181%0.806SS**  trans-78.7108.2172.546.10000111.5P200P200-T202 PolarHBondContact O-N 2.6Å
203A31.5Very low33.7Very low104 Ų104142.1 Ų142.186%0.8681%0.807SS**  trans-102130.1162.200000109.6P201P201-A203 PolarHBondContact O-N 2.74Å
204A32.1Very low33.8Very low83 Ų83142.5 Ų142.569%0.68681%0.813SS**  trans-143.4135.3-172.300000112.8
205L32.4Very low34.2Very low153 Ų153140.4 Ų140.480%0.80181%0.81SS**  trans65.7152.7174.3-79.167.8000113.7
206R31.2Very low34.8Very low202 Ų202140.5 Ų140.576%0.76281%0.811SS**  cis-154.4162.47.4-117.2177.8-153-121.416.7106.8
207Q34.2Very low35.2Very low133 Ų133143.8 Ų143.862%0.62182%0.819SS**  cis-152.6-61.4-6.7-153.3178-82.300113.9
208F29.8Very low35.9Very low196 Ų196143 Ų14386%0.8681%0.814SS**  trans-160.3160.6-172.9-80.3-80.6000111.5
209G29.5Very low36.6Very low79 Ų79145.5 Ų145.581%0.81481%0.813SS**  trans158.5111.6160.300000114.7
210T40.5Very low37.2Very low156 Ų156145.6 Ų145.696%0.95782%0.817SS**  trans-85.5128.5169.539.10000111.4
211G29.8Very low37.9Very low77 Ų77149.7 Ų149.779%0.79482%0.818SS**  trans-166.2135.2170.100000112
212F43.6Very low39.1Very low214 Ų214148.2 Ų148.294%0.93980%0.803SS**  trans-75.3144.8163-103.2-114.7000109.3
213V35.3Very low40.8Very low128 Ų128145.7 Ų145.778%0.77679%0.788SS**  trans175.5139.4137.7144.50000111.4
214N35.2Very low42.6Very low140 Ų140147.5 Ų147.575%0.74978%0.783SS**  trans32.8127.1161.7-61.43000122.7
215P43.1Very low44.6Very low133 Ų133148.4 Ų148.486%0.86477%0.773SS**  trans-100.760.8173.240.8-34.8000114.1
216E44Very low46.7Very low184 Ų184145.5 Ų145.586%0.8676%0.758SS**  trans-127.168.4174.5-74.4-166171.900113.4
217R45.4Very low49Very low240 Ų240138 Ų13891%0.90674%0.739SS**  trans-170.896.1156.1-117.9177.1173.7-175.1-2.1110.9
218L44.6Very low51.3Low159 Ų159134 Ų13483%0.83273%0.729SS**  trans-145.628.8-179.8-150.880.1000115.6
219E45.5Very low53.9Low179 Ų179129.7 Ų129.784%0.83671%0.71SS**SBendtrans-104.7-13.8-176.8-62.6-169.4134.700114.7R221E219-R221 PolarHBondContact O-N 3.32Å
220S49.6Very low56.6Low112 Ų112130.2 Ų130.278%0.78369%0.691SS**THydrogen-bonded Turntrans-90.48.5-172.957.50000116
221R52.3Low58.7Low199 Ų199128 Ų12875%0.75167%0.67SS**THydrogen-bonded Turntrans-89.2-17.5-177.3-168166.9179.1167.91.3114.5E219E219-R221 PolarHBondContact O-N 3.32Å
222N59.6Low61.5Low100 Ų100130.1 Ų130.154%0.53566%0.663SS.*Hα-helixtrans-71.1-36.1-171.7-59.7-16.7000116.7L224 E225 N226N222-L224 PolarHBondContact O-N 2.73Å; N222-E225 PolarHBondContact O-N 2.92Å; N222-N226 PolarHBondContact O-N 3.42Å; N222-N226 VanDerWaalsContact O-N 3.08Å
223P66.6Low63.6Low88 Ų88123.2 Ų123.257%0.57164%0.641SS**Hα-helixtrans-69.2-35.8-169.526-33.6000113.1N226 A227P223-N226 PolarHBondContact O-N 3.48Å; P223-A227 WeakPolarHBondContact O-CB 3.22Å; P223-A227 PolarHBondContact O-N 3.29Å
224L69.8Low66.2Low143 Ų143122.9 Ų122.975%0.74963%0.626SS**Hα-helixtrans-67.8-35.7178-175.364.5000112N222 A228N222-L224 PolarHBondContact O-N 2.73Å; L224-A228 WeakPolarHBondContact O-CB 3.11Å; L224-A228 PolarHBondContact O-N 2.91Å
225E74.3Confident68.8Low101 Ų101121.9 Ų121.947%0.47262%0.616SS.*Hα-helixtrans-72.9-36.5177.6-161.7-175.4119.300111.6N222 A228 K229N222-E225 PolarHBondContact O-N 2.92Å; E225-A228 PolarHBondContact O-N 3.38Å; E225-K229 VanDerWaalsContact O-CG 3.31Å; E225-K229 WeakPolarHBondContact O-CG 3.39Å; E225-K229 PolarHBondContact O-N 3.48Å; E225-K229 VanDerWaalsContact OE1-CE 3.28Å; E225-K229 WeakPolarHBondContact OE1-CE 3.37Å; E225-K229 IonicContact OE1-NZ 2.65Å; E225-K229 PolarHBondContact OE1-NZ 3.25Å
226N76.5Confident70.9Confident93 Ų93118.1 Ų118.150%0.49760%0.597SS.*Hα-helixtrans-68.4-44.4174.6-69.8-6.9000111.5N222 P223 A228 K229 E230N222-N226 PolarHBondContact O-N 3.42Å; N222-N226 VanDerWaalsContact O-N 3.08Å; P223-N226 PolarHBondContact O-N 3.48Å; N226-A228 VanDerWaalsContact C-N 3.31Å; N226-A228 PolarHBondContact O-N 2.99Å; N226-K229 PolarHBondContact O-N 2.87Å; N226-E230 PolarHBondContact O-N 3.36Å
227A80.3Confident73.1Confident43 Ų43113.9 Ų113.936%0.35558%0.577SS.*Hα-helixtrans-59.6-40.2172.800000112P223 E230 Q231P223-A227 WeakPolarHBondContact O-CB 3.22Å; P223-A227 PolarHBondContact O-N 3.29Å; A227-E230 PolarHBondContact O-N 3.04Å; A227-Q231 WeakPolarHBondContact O-CG 3.49Å; A227-Q231 PolarHBondContact O-N 2.92Å
228A81.7Confident75.3Confident50 Ų50107.4 Ų107.441%0.41356%0.56SS.*Hα-helixtrans-63.9-41.4175.400000112.6L224 E225 N226 E230 Q231 L232L224-A228 WeakPolarHBondContact O-CB 3.11Å; L224-A228 PolarHBondContact O-N 2.91Å; E225-A228 PolarHBondContact O-N 3.38Å; N226-A228 VanDerWaalsContact C-N 3.31Å; N226-A228 PolarHBondContact O-N 2.99Å; A228-E230 VanDerWaalsContact C-N 3.33Å; A228-Q231 PolarHBondContact O-N 3.45Å; A228-L232 WeakPolarHBondContact O-CG 3.28Å; A228-L232 PolarHBondContact O-N 3.02Å
229K83.8Confident77.5Confident106 Ų106105.3 Ų105.346%0.46155%0.545SS..Hα-helixtrans-62.8-39.4173.7-71.1162.7-172.3160.50111.9E225 N226 L232 S233E225-K229 VanDerWaalsContact O-CG 3.31Å; E225-K229 WeakPolarHBondContact O-CG 3.39Å; E225-K229 PolarHBondContact O-N 3.48Å; E225-K229 VanDerWaalsContact OE1-CE 3.28Å; E225-K229 WeakPolarHBondContact OE1-CE 3.37Å; E225-K229 IonicContact OE1-NZ 2.65Å; E225-K229 PolarHBondContact OE1-NZ 3.25Å; N226-K229 PolarHBondContact O-N 2.87Å; K229-L232 PolarHBondContact O-N 3.15Å; K229-S233 PolarHBondContact O-N 3.15Å; K229-S233 PolarHBondContact O-OG 3.04Å
230E86.5Confident79.6Confident89 Ų8998.1 Ų98.142%0.41652%0.519SS..Hα-helixtrans-68.1-39.5177.8-162.1-166.216900112.6N226 A227 A228 L232 S233 R234N226-E230 PolarHBondContact O-N 3.36Å; A227-E230 PolarHBondContact O-N 3.04Å; A228-E230 VanDerWaalsContact C-N 3.33Å; E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.13Å; E230-S233 PolarHBondContact O-N 2.87Å; E230-S233 PolarHBondContact O-OG 3.44Å; E230-R234 WeakPolarHBondContact O-CB 3.35Å; E230-R234 WeakPolarHBondContact O-CD 3.26Å; E230-R234 WeakPolarHBondContact O-CG 3.2Å; E230-R234 PolarHBondContact O-N 3.3Å; E230-R234 IonicContact OE1-CZ 2.65Å; E230-R234 VanDerWaalsContact OE1-CZ 3.27Å; E230-R234 IonicContact OE1-NE 3.46Å; E230-R234 PolarHBondContact OE1-NE 2.83Å; E230-R234 VanDerWaalsContact OE1-NE 3.13Å; E230-R234 IonicContact OE1-NH2 2.63Å; E230-R234 PolarHBondContact OE1-NH2 2.87Å
231Q85.6Confident81.5Confident111 Ų11199 Ų9952%0.51951%0.506SS..Hα-helixtrans-66-34.3172.6-64.6-55.3-38.700111.8A227 A228 H235A227-Q231 WeakPolarHBondContact O-CG 3.49Å; A227-Q231 PolarHBondContact O-N 2.92Å; A228-Q231 PolarHBondContact O-N 3.45Å; Q231-H235 VanDerWaalsContact O-CB 3.3Å; Q231-H235 WeakPolarHBondContact O-CB 3.42Å; Q231-H235 PolarHBondContact O-N 2.72Å
232L88.5Confident83.3Confident121 Ų12192.2 Ų92.263%0.63449%0.492SS*.Hα-helixtrans-69.4-39.9174.7-71.9169.6000112.7A228 K229 E230 H235 A236A228-L232 WeakPolarHBondContact O-CG 3.28Å; A228-L232 PolarHBondContact O-N 3.02Å; K229-L232 PolarHBondContact O-N 3.15Å; E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.13Å; L232-H235 PolarHBondContact O-N 2.76Å; L232-A236 WeakPolarHBondContact O-CB 3.48Å; L232-A236 PolarHBondContact O-N 3.49Å
233S86.9Confident84.6Confident69 Ų6990.2 Ų90.248%0.48349%0.485SS..Hα-helixtrans-67.3-44.6174.961.20000111.6K229 E230 H235 A236 E237K229-S233 PolarHBondContact O-N 3.15Å; K229-S233 PolarHBondContact O-OG 3.04Å; E230-S233 PolarHBondContact O-N 2.87Å; E230-S233 PolarHBondContact O-OG 3.44Å; S233-H235 VanDerWaalsContact C-N 3.28Å; S233-H235 PolarHBondContact O-N 3.25Å; S233-A236 PolarHBondContact O-N 3.1Å; S233-E237 WeakPolarHBondContact O-CB 3.36Å; S233-E237 PolarHBondContact O-N 3.02Å
234R90.3Very high85.6Confident120 Ų12090.5 Ų90.545%0.45348%0.475SS..Hα-helixtrans-57-40.1172.3-70.1166.6179-137.45.7111.9E230 E237 L238E230-R234 WeakPolarHBondContact O-CB 3.35Å; E230-R234 WeakPolarHBondContact O-CD 3.26Å; E230-R234 WeakPolarHBondContact O-CG 3.2Å; E230-R234 PolarHBondContact O-N 3.3Å; E230-R234 IonicContact OE1-CZ 2.65Å; E230-R234 VanDerWaalsContact OE1-CZ 3.27Å; E230-R234 IonicContact OE1-NE 3.46Å; E230-R234 PolarHBondContact OE1-NE 2.83Å; E230-R234 VanDerWaalsContact OE1-NE 3.13Å; E230-R234 IonicContact OE1-NH2 2.63Å; E230-R234 PolarHBondContact OE1-NH2 2.87Å; R234-E237 PolarHBondContact O-N 3.5Å; R234-L238 WeakPolarHBondContact O-CB 3.46Å; R234-L238 VanDerWaalsContact O-CG 3.3Å; R234-L238 WeakPolarHBondContact O-CG 3.49Å; R234-L238 PolarHBondContact O-N 3.03Å
235H90.1Very high86.6Confident119 Ų11989.4 Ų89.455%0.55147%0.469SS*.Hα-helixtrans-68.7-43.9177.3-172.863.8000112.6Q231 L232 S233 E237 L238 Q239Q231-H235 VanDerWaalsContact O-CB 3.3Å; Q231-H235 WeakPolarHBondContact O-CB 3.42Å; Q231-H235 PolarHBondContact O-N 2.72Å; L232-H235 PolarHBondContact O-N 2.76Å; S233-H235 VanDerWaalsContact C-N 3.28Å; S233-H235 PolarHBondContact O-N 3.25Å; H235-E237 VanDerWaalsContact C-N 3.29Å; H235-E237 PolarHBondContact O-N 3.05Å; H235-L238 PolarHBondContact O-N 2.85Å; H235-Q239 WeakPolarHBondContact O-CB 3.45Å; H235-Q239 PolarHBondContact O-N 3.32Å
236A87Confident87.5Confident55 Ų5589.9 Ų89.946%0.45547%0.472SS..Hα-helixtrans-61.9-37.2174.400000112L232 S233 Q239 G240L232-A236 WeakPolarHBondContact O-CB 3.48Å; L232-A236 PolarHBondContact O-N 3.49Å; S233-A236 PolarHBondContact O-N 3.1Å; A236-Q239 PolarHBondContact O-N 3.1Å; A236-G240 PolarHBondContact O-N 2.82Å
237E90.5Very high87.9Confident94 Ų9493.3 Ų93.344%0.43948%0.477SS..Hα-helixtrans-66.9-44.7175.3-157.2-146.7142.100111.9S233 R234 H235 Q239 G240 R241S233-E237 WeakPolarHBondContact O-CB 3.36Å; S233-E237 PolarHBondContact O-N 3.02Å; R234-E237 PolarHBondContact O-N 3.5Å; H235-E237 VanDerWaalsContact C-N 3.29Å; H235-E237 PolarHBondContact O-N 3.05Å; E237-Q239 VanDerWaalsContact C-N 3.33Å; E237-Q239 PolarHBondContact O-N 2.95Å; E237-G240 PolarHBondContact O-N 3.16Å; E237-R241 WeakPolarHBondContact O-CG 3.16Å; E237-R241 PolarHBondContact O-N 3.42Å; E237-R241 IonicContact OE1-CZ 2.75Å; E237-R241 IonicContact OE1-NE 2.61Å; E237-R241 PolarHBondContact OE1-NE 3.39Å; E237-R241 IonicContact OE1-NH2 3.56Å; E237-R241 PolarHBondContact OE1-NH2 2.94Å
238L92.3Very high88.3Confident105 Ų10596 Ų9655%0.5548%0.479SS..Hα-helixtrans-61.7-39173.8-74.3168.8000112.1R234 H235 R241 A242R234-L238 WeakPolarHBondContact O-CB 3.46Å; R234-L238 VanDerWaalsContact O-CG 3.3Å; R234-L238 WeakPolarHBondContact O-CG 3.49Å; R234-L238 PolarHBondContact O-N 3.03Å; H235-L238 PolarHBondContact O-N 2.85Å; L238-R241 PolarHBondContact O-N 2.72Å; L238-A242 WeakPolarHBondContact O-CB 3.49Å; L238-A242 PolarHBondContact O-N 2.78Å
239Q90.4Very high88.8Confident114 Ų11498.8 Ų98.853%0.53349%0.486SS..Hα-helixtrans-63.7-43.3173.2-169.317923.700111.1H235 A236 E237 A242 C243H235-Q239 WeakPolarHBondContact O-CB 3.45Å; H235-Q239 PolarHBondContact O-N 3.32Å; A236-Q239 PolarHBondContact O-N 3.1Å; E237-Q239 VanDerWaalsContact C-N 3.33Å; E237-Q239 PolarHBondContact O-N 2.95Å; Q239-A242 PolarHBondContact O-N 3.04Å; Q239-C243 WeakPolarHBondContact O-CB 3.42Å; Q239-C243 PolarHBondContact O-N 2.86Å; Q239-C243 PolarHBondContact O-SG 2.88Å
240G89.6Confident88.9Confident28 Ų28100 Ų10029%0.28949%0.493SS..Hα-helixtrans-60.3-45.3173.400000113A236 E237 A242 C243 R244A236-G240 PolarHBondContact O-N 2.82Å; E237-G240 PolarHBondContact O-N 3.16Å; G240-A242 PolarHBondContact O-N 2.93Å; G240-C243 PolarHBondContact O-N 2.96Å; G240-R244 PolarHBondContact O-N 3.1Å
241R89.8Confident89Confident131 Ų13196.7 Ų96.749%0.49448%0.481SS..Hα-helixtrans-58.2-46.1173.4-70.5171.7-179.5-135.77111.3E237 L238 R244 L245E237-R241 WeakPolarHBondContact O-CG 3.16Å; E237-R241 PolarHBondContact O-N 3.42Å; E237-R241 IonicContact OE1-CZ 2.75Å; E237-R241 IonicContact OE1-NE 2.61Å; E237-R241 PolarHBondContact OE1-NE 3.39Å; E237-R241 IonicContact OE1-NH2 3.56Å; E237-R241 PolarHBondContact OE1-NH2 2.94Å; L238-R241 PolarHBondContact O-N 2.72Å; R241-R244 PolarHBondContact O-N 3.17Å; R241-L245 WeakPolarHBondContact O-CG 3.43Å; R241-L245 PolarHBondContact O-N 2.9Å
242A88.4Confident89.3Confident57 Ų5795.7 Ų95.747%0.47148%0.479SS..Hα-helixtrans-62.7-44.9177.600000112.4L238 Q239 G240 R244 L245 Q246L238-A242 WeakPolarHBondContact O-CB 3.49Å; L238-A242 PolarHBondContact O-N 2.78Å; Q239-A242 PolarHBondContact O-N 3.04Å; G240-A242 PolarHBondContact O-N 2.93Å; A242-R244 VanDerWaalsContact C-N 3.34Å; A242-R244 PolarHBondContact O-N 2.81Å; A242-L245 PolarHBondContact O-N 2.76Å; A242-Q246 WeakPolarHBondContact O-CB 3.37Å; A242-Q246 PolarHBondContact O-N 3.04Å
243C88.4Confident89.4Confident57 Ų5795.3 Ų95.339%0.38548%0.477SS..Hα-helixtrans-61.4-38.9175.6-71.80000112.7Q239 G240 R247Q239-C243 WeakPolarHBondContact O-CB 3.42Å; Q239-C243 PolarHBondContact O-N 2.86Å; Q239-C243 PolarHBondContact O-SG 2.88Å; G240-C243 PolarHBondContact O-N 2.96Å; C243-R247 WeakPolarHBondContact O-CG 3.44Å; C243-R247 PolarHBondContact O-N 3Å; C243-R247 VanDerWaalsContact O-N 3.08Å
244R86.6Confident89.5Confident95 Ų9593.2 Ų93.236%0.35847%0.466SS..Hα-helixtrans-66.1-44.7173.9-77.2-168.8-72.5-108.3-1.7112.5G240 R241 A242 Q246 R247 R248 E332G240-R244 PolarHBondContact O-N 3.1Å; R241-R244 PolarHBondContact O-N 3.17Å; A242-R244 VanDerWaalsContact C-N 3.34Å; A242-R244 PolarHBondContact O-N 2.81Å; R244-Q246 VanDerWaalsContact C-N 3.32Å; R244-Q246 PolarHBondContact O-N 3.39Å; R244-R247 PolarHBondContact O-N 3.39Å; R244-R248 PolarHBondContact O-N 2.98Å; R244-E332 VanDerWaalsContact CD-OE2 3.27Å; R244-E332 WeakPolarHBondContact CD-OE2 3.19Å; R244-E332 IonicContact CZ-OE2 2.63Å; R244-E332 IonicContact NE-OE2 3.69Å; R244-E332 IonicContact NH1-OE2 3.27Å; R244-E332 PolarHBondContact NH1-OE2 2.82Å
245L91.6Very high89.3Confident120 Ų12089.3 Ų89.363%0.62845%0.453SS*.Hα-helixtrans-61-40.1175.5-71.8170.5000111.9R241 A242 R248 L249R241-L245 WeakPolarHBondContact O-CG 3.43Å; R241-L245 PolarHBondContact O-N 2.9Å; A242-L245 PolarHBondContact O-N 2.76Å; L245-R248 PolarHBondContact O-N 2.98Å; L245-L249 WeakPolarHBondContact O-CB 3.48Å; L245-L249 PolarHBondContact O-N 3.32Å
246Q92.7Very high89.3Confident111 Ų11189.9 Ų89.952%0.51946%0.455SS..Hα-helixtrans-61.5-44.9174.4-174.9-178.2-4.800111.9A242 R244 L249 Q250A242-Q246 WeakPolarHBondContact O-CB 3.37Å; A242-Q246 PolarHBondContact O-N 3.04Å; R244-Q246 VanDerWaalsContact C-N 3.32Å; R244-Q246 PolarHBondContact O-N 3.39Å; Q246-L249 PolarHBondContact O-N 3.45Å; Q246-Q250 WeakPolarHBondContact O-CB 3.23Å; Q246-Q250 PolarHBondContact O-N 3.35Å
247R85.3Confident89.4Confident164 Ų16489.8 Ų89.862%0.61945%0.454SS*.Hα-helixtrans-63.1-43.8175.6-71.6177-175.1177.71.9112.1C243 R244 L249 Q250 A251 L329C243-R247 WeakPolarHBondContact O-CG 3.44Å; C243-R247 PolarHBondContact O-N 3Å; C243-R247 VanDerWaalsContact O-N 3.08Å; R244-R247 PolarHBondContact O-N 3.39Å; R247-L249 PolarHBondContact O-N 3.44Å; R247-Q250 PolarHBondContact O-N 3.39Å; R247-A251 PolarHBondContact O-N 3.48Å; R247-L329 HydrophobicContact CB-CD1 4.25Å
248R87.9Confident89.5Confident101 Ų10186.8 Ų86.838%0.38144%0.441SS..Hα-helixtrans-60.6-43.9176.2-169.9-179.6-168.7129.715.4111.6R244 L245 A251 L252 D330R244-R248 PolarHBondContact O-N 2.98Å; L245-R248 PolarHBondContact O-N 2.98Å; R248-A251 PolarHBondContact O-N 2.72Å; R248-L252 HydrophobicContact CG-CD1 4.29Å; R248-L252 WeakPolarHBondContact O-CG 3.31Å; R248-L252 PolarHBondContact O-N 2.92Å; R248-D330 IonicContact CZ-OD1 3.85Å; R248-D330 IonicContact CZ-OD2 3.13Å; R248-D330 IonicContact NH1-OD1 2.67Å; R248-D330 PolarHBondContact NH1-OD1 2.85Å; R248-D330 IonicContact NH2-OD1 3.66Å; R248-D330 PolarHBondContact NH2-OD1 3.27Å; R248-D330 IonicContact NH2-OD2 2.66Å; R248-D330 PolarHBondContact NH2-OD2 3.15Å; R248-D330 VanDerWaalsContact NH2-OD2 3.13Å
249L93.1Very high89.3Confident108 Ų10886.2 Ų86.257%0.56543%0.434SS*.Hα-helixtrans-64.2-39.8175.9-177.9143.4000111.8L245 Q246 R247 L252 L253L245-L249 WeakPolarHBondContact O-CB 3.48Å; L245-L249 PolarHBondContact O-N 3.32Å; Q246-L249 PolarHBondContact O-N 3.45Å; R247-L249 PolarHBondContact O-N 3.44Å; L249-L252 PolarHBondContact O-N 3.1Å; L249-L253 HydrophobicContact CD2-CD1 3.65Å; L249-L253 HydrophobicContact CD2-CG 4.35Å; L249-L253 WeakPolarHBondContact O-CG 3.5Å; L249-L253 PolarHBondContact O-N 3.02Å
250Q86.5Confident89.2Confident131 Ų13185 Ų8561%0.61243%0.428SS*.Hα-helixtrans-64.8-39.2174.8-172.8174.6-5.200112.4Q246 R247 L253 G254Q246-Q250 WeakPolarHBondContact O-CB 3.23Å; Q246-Q250 PolarHBondContact O-N 3.35Å; R247-Q250 PolarHBondContact O-N 3.39Å; Q250-L253 PolarHBondContact O-N 3Å; Q250-G254 PolarHBondContact O-N 3.33Å
251A88.6Confident89Confident19 Ų1986.3 Ų86.316%0.15743%0.433CS..Hα-helixtrans-64.4-45.3174.400000112R247 R248 L253 G254 E255 L322R247-A251 PolarHBondContact O-N 3.48Å; R248-A251 PolarHBondContact O-N 2.72Å; A251-L253 VanDerWaalsContact C-N 3.35Å; A251-L253 PolarHBondContact O-N 3.05Å; A251-G254 CarbonylContact O-C 3.6Å; A251-G254 WeakPolarHBondContact O-CA 3.27Å; A251-G254 PolarHBondContact O-N 3.38Å; A251-G254 VanDerWaalsContact O-N 3.08Å; A251-E255 PolarHBondContact O-N 3.29Å; A251-L322 HydrophobicContact CB-CD2 4.26Å
252L91.5Very high88.8Confident91 Ų9182.6 Ų82.648%0.47643%0.426SS..Hα-helixtrans-63.3-36.9176.6-71169.9000112.9R248 L249 E255 H256R248-L252 HydrophobicContact CG-CD1 4.29Å; R248-L252 WeakPolarHBondContact O-CG 3.31Å; R248-L252 PolarHBondContact O-N 2.92Å; L249-L252 PolarHBondContact O-N 3.1Å; L252-E255 PolarHBondContact O-N 2.9Å; L252-H256 WeakPolarHBondContact O-CB 3.36Å; L252-H256 PolarHBondContact O-N 2.89Å
253L90.2Very high88.8Confident113 Ų11385.9 Ų85.959%0.59243%0.432SS*.Hα-helixtrans-65.7-38.4171.2-72.6174.3000111.8L249 Q250 A251 H256 A257L249-L253 HydrophobicContact CD2-CD1 3.65Å; L249-L253 HydrophobicContact CD2-CG 4.35Å; L249-L253 WeakPolarHBondContact O-CG 3.5Å; L249-L253 PolarHBondContact O-N 3.02Å; Q250-L253 PolarHBondContact O-N 3Å; A251-L253 VanDerWaalsContact C-N 3.35Å; A251-L253 PolarHBondContact O-N 3.05Å; L253-H256 PolarHBondContact O-N 3.17Å; L253-A257 WeakPolarHBondContact O-CB 3.23Å; L253-A257 PolarHBondContact O-N 3.35Å
254G88.1Confident88.7Confident25 Ų2588.4 Ų88.426%0.25844%0.438SS..Hα-helixtrans-60.1-47.8171.900000112.4Q250 A251 H256 A257 L258Q250-G254 PolarHBondContact O-N 3.33Å; A251-G254 CarbonylContact O-C 3.6Å; A251-G254 WeakPolarHBondContact O-CA 3.27Å; A251-G254 PolarHBondContact O-N 3.38Å; A251-G254 VanDerWaalsContact O-N 3.08Å; G254-H256 VanDerWaalsContact C-N 3.33Å; G254-H256 PolarHBondContact O-N 3.24Å; G254-A257 PolarHBondContact O-N 3.43Å; G254-L258 WeakPolarHBondContact O-CG 3.33Å; G254-L258 PolarHBondContact O-N 3.29Å
255E87.5Confident88.5Confident37 Ų3785.6 Ų85.617%0.17343%0.43CS..Hα-helixtrans-59.4-43.7175.2-75.3-160.617800112.3A251 L252 A257 L258 K259 L322A251-E255 PolarHBondContact O-N 3.29Å; L252-E255 PolarHBondContact O-N 2.9Å; E255-A257 VanDerWaalsContact C-N 3.32Å; E255-A257 PolarHBondContact O-N 3.33Å; E255-L258 PolarHBondContact O-N 2.81Å; E255-K259 WeakPolarHBondContact O-CB 3.38Å; E255-K259 WeakPolarHBondContact O-CD 3.33Å; E255-K259 VanDerWaalsContact O-CG 3.22Å; E255-K259 WeakPolarHBondContact O-CG 3.33Å; E255-K259 PolarHBondContact O-N 3Å; E255-K259 IonicContact OE2-NZ 3.81Å; E255-K259 PolarHBondContact OE2-NZ 2.9Å; E255-L322 HydrophobicContact CB-CD1 4.37Å; E255-L322 HydrophobicContact CG-CB 4.37Å; E255-L322 HydrophobicContact CG-CD1 3.78Å
256H89.3Confident88.1Confident132 Ų13284.7 Ų84.761%0.61142%0.423SS*.Hα-helixtrans-65.2-38.2179.6-169.4-74.1000111.3L252 L253 G254 H260L252-H256 WeakPolarHBondContact O-CB 3.36Å; L252-H256 PolarHBondContact O-N 2.89Å; L253-H256 PolarHBondContact O-N 3.17Å; G254-H256 VanDerWaalsContact C-N 3.33Å; G254-H256 PolarHBondContact O-N 3.24Å; H256-H260 WeakPolarHBondContact O-CB 3.4Å; H256-H260 PolarHBondContact O-N 3.27Å
257A89.7Confident87.5Confident52 Ų5280.8 Ų80.843%0.4341%0.412SS..Hα-helixtrans-63.2-46173.300000111.7L253 G254 E255 H260 C261L253-A257 WeakPolarHBondContact O-CB 3.23Å; L253-A257 PolarHBondContact O-N 3.35Å; G254-A257 PolarHBondContact O-N 3.43Å; E255-A257 VanDerWaalsContact C-N 3.32Å; E255-A257 PolarHBondContact O-N 3.33Å; A257-H260 PolarHBondContact O-N 3.16Å; A257-C261 PolarHBondContact O-N 3.42Å; A257-C261 PolarHBondContact O-SG 3.49Å
258L91.2Very high87.1Confident31 Ų3177.1 Ų77.116%0.16240%0.404CS..Hα-helixtrans-61.9-45176.2-68175.1000112.3G254 E255 H260 C261 S262 N318 L322G254-L258 WeakPolarHBondContact O-CG 3.33Å; G254-L258 PolarHBondContact O-N 3.29Å; E255-L258 PolarHBondContact O-N 2.81Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 3.36Å; L258-C261 PolarHBondContact O-N 2.95Å; L258-S262 PolarHBondContact O-N 3.43Å; L258-S262 PolarHBondContact O-OG 3.09Å; L258-N318 HydrophobicContact CD1-CB 3.62Å; L258-N318 HydrophobicContact CD2-CB 3.84Å; L258-N318 HydrophobicContact CG-CB 4.38Å; L258-L322 HydrophobicContact CD1-CD1 3.54Å
259K89.1Confident86.6Confident94 Ų9477.4 Ų77.441%0.40941%0.408SS..Hα-helixtrans-62-36.2177.5-71.3163.7-171.6168.30111.8E255 S262 Q263E255-K259 WeakPolarHBondContact O-CB 3.38Å; E255-K259 WeakPolarHBondContact O-CD 3.33Å; E255-K259 VanDerWaalsContact O-CG 3.22Å; E255-K259 WeakPolarHBondContact O-CG 3.33Å; E255-K259 PolarHBondContact O-N 3Å; E255-K259 IonicContact OE2-NZ 3.81Å; E255-K259 PolarHBondContact OE2-NZ 2.9Å; K259-S262 PolarHBondContact O-OG 3.26Å; K259-Q263 WeakPolarHBondContact O-CB 3.21Å; K259-Q263 WeakPolarHBondContact O-CG 3.33Å; K259-Q263 PolarHBondContact O-N 3.42Å; K259-Q263 VanDerWaalsContact O-N 3.13Å
260H88.6Confident86Confident88 Ų8877.7 Ų77.741%0.40741%0.405SS..Hα-helixtrans-69.5-45.9173.4-176.1-87.3000111.8H256 A257 L258 S262 Q263 Q264H256-H260 WeakPolarHBondContact O-CB 3.4Å; H256-H260 PolarHBondContact O-N 3.27Å; A257-H260 PolarHBondContact O-N 3.16Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 3.36Å; H260-S262 PolarHBondContact O-N 3.06Å; H260-Q263 PolarHBondContact O-N 3.16Å; H260-Q264 PolarHBondContact CE1-OE1 3.29Å; H260-Q264 PolarHBondContact ND1-OE1 3.44Å; H260-Q264 WeakPolarHBondContact O-CG 3.49Å; H260-Q264 PolarHBondContact O-N 2.69Å
261C84.4Confident85.3Confident56 Ų5678.3 Ų78.338%0.37841%0.408SS..Hα-helixtrans-60.4-45.6176.7-69.50000112A257 L258 Q263 Q264 L265A257-C261 PolarHBondContact O-N 3.42Å; A257-C261 PolarHBondContact O-SG 3.49Å; L258-C261 PolarHBondContact O-N 2.95Å; C261-Q263 PolarHBondContact O-N 3.06Å; C261-Q264 PolarHBondContact O-N 3.28Å; C261-L265 WeakPolarHBondContact O-CD1 3.48Å; C261-L265 VanDerWaalsContact O-CG 3.25Å; C261-L265 WeakPolarHBondContact O-CG 3.38Å; C261-L265 PolarHBondContact O-N 3.42Å
262S85.5Confident84.1Confident52 Ų5283.6 Ų83.636%0.36443%0.427SS..Hα-helixtrans-64.7-39.317865.10000112.1L258 K259 H260 Q264 L265 E266L258-S262 PolarHBondContact O-N 3.43Å; L258-S262 PolarHBondContact O-OG 3.09Å; K259-S262 PolarHBondContact O-OG 3.26Å; H260-S262 PolarHBondContact O-N 3.06Å; S262-Q264 PolarHBondContact O-N 3.49Å; S262-L265 PolarHBondContact O-N 2.68Å; S262-E266 VanDerWaalsContact O-CB 3.32Å; S262-E266 WeakPolarHBondContact O-CB 3.49Å; S262-E266 PolarHBondContact O-N 3.31Å
263Q89.3Confident82.7Confident127 Ų12785.3 Ų85.359%0.59343%0.433SS*.Hα-helixtrans-62.2-39.3172.2-76170.41.100112.9K259 H260 C261 G267K259-Q263 WeakPolarHBondContact O-CB 3.21Å; K259-Q263 WeakPolarHBondContact O-CG 3.33Å; K259-Q263 PolarHBondContact O-N 3.42Å; K259-Q263 VanDerWaalsContact O-N 3.13Å; H260-Q263 PolarHBondContact O-N 3.16Å; C261-Q263 PolarHBondContact O-N 3.06Å; Q263-G267 PolarHBondContact O-N 2.95Å
264Q86.1Confident81.1Confident109 Ų10986.5 Ų86.551%0.50944%0.439SS..Hα-helixtrans-66.4-42175.3-72.5-175.3-65.100112H260 C261 S262 G267 L268H260-Q264 PolarHBondContact CE1-OE1 3.29Å; H260-Q264 PolarHBondContact ND1-OE1 3.44Å; H260-Q264 WeakPolarHBondContact O-CG 3.49Å; H260-Q264 PolarHBondContact O-N 2.69Å; C261-Q264 PolarHBondContact O-N 3.28Å; S262-Q264 PolarHBondContact O-N 3.49Å; Q264-G267 PolarHBondContact O-N 2.79Å; Q264-L268 WeakPolarHBondContact O-CG 3.47Å; Q264-L268 PolarHBondContact O-N 3.45Å
265L82.3Confident79.3Confident37 Ų3793.3 Ų93.319%0.19446%0.464CS..Hα-helixtrans-66.5-39.9176.5-67.4160000111.9C261 S262 G267 L268 K269 F308 V311C261-L265 WeakPolarHBondContact O-CD1 3.48Å; C261-L265 VanDerWaalsContact O-CG 3.25Å; C261-L265 WeakPolarHBondContact O-CG 3.38Å; C261-L265 PolarHBondContact O-N 3.42Å; S262-L265 PolarHBondContact O-N 2.68Å; L265-G267 VanDerWaalsContact C-N 3.33Å; L265-L268 PolarHBondContact O-N 3.13Å; L265-K269 WeakPolarHBondContact O-CB 3.5Å; L265-K269 PolarHBondContact O-N 2.85Å; L265-F308 HydrophobicContact CB-CE1 4.34Å; L265-F308 HydrophobicContact CD2-CD1 4.17Å; L265-F308 HydrophobicContact CD2-CE1 3.89Å; L265-V311 HydrophobicContact CD1-CB 4.42Å; L265-V311 HydrophobicContact CD1-CG1 3.38Å; L265-V311 HydrophobicContact CD2-CG1 4.2Å; L265-V311 HydrophobicContact CG-CG1 4.44Å
266E82.6Confident77.4Confident101 Ų10198.7 Ų98.747%0.47249%0.494SS..Hα-helixtrans-66.2-36.5174.2-160.8-164.6155.700111.4S262 K269 K270S262-E266 VanDerWaalsContact O-CB 3.32Å; S262-E266 WeakPolarHBondContact O-CB 3.49Å; S262-E266 PolarHBondContact O-N 3.31Å; E266-K269 PolarHBondContact O-N 3.25Å; E266-K270 VanDerWaalsContact CD-NZ 3.34Å; E266-K270 WeakPolarHBondContact O-CB 3.34Å; E266-K270 VanDerWaalsContact O-CG 3.28Å; E266-K270 WeakPolarHBondContact O-CG 3.42Å; E266-K270 PolarHBondContact O-N 2.88Å; E266-K270 WeakPolarHBondContact OE1-CE 3.41Å; E266-K270 IonicContact OE1-NZ 3.46Å; E266-K270 PolarHBondContact OE1-NZ 3.19Å
267G81.3Confident75.7Confident28 Ų2897.9 Ų97.929%0.28950%0.498SS..Hα-helixtrans-62.6-46.6171.300000112.7Q263 Q264 L265 K270 H271Q263-G267 PolarHBondContact O-N 2.95Å; Q264-G267 PolarHBondContact O-N 2.79Å; L265-G267 VanDerWaalsContact C-N 3.33Å; G267-K270 PolarHBondContact O-N 2.88Å; G267-H271 PolarHBondContact O-CD2 3.32Å; G267-H271 VanDerWaalsContact O-CD2 3.29Å; G267-H271 PolarHBondContact O-N 3.47Å
268L76.4Confident73.9Confident87 Ų87100.8 Ų100.846%0.45551%0.513SS..Hα-helixtrans-62-44.7174.4-71.1169.3000111.6Q264 L265 K270 H271 F272 F308Q264-L268 WeakPolarHBondContact O-CG 3.47Å; Q264-L268 PolarHBondContact O-N 3.45Å; L265-L268 PolarHBondContact O-N 3.13Å; L268-K270 VanDerWaalsContact C-N 3.29Å; L268-K270 PolarHBondContact O-N 3.21Å; L268-H271 WeakPolarHBondContact O-CB 3.49Å; L268-H271 PolarHBondContact O-N 2.92Å; L268-F272 WeakPolarHBondContact O-CD2 3.35Å; L268-F272 PolarHBondContact O-N 3.1Å; L268-F308 HydrophobicContact CB-CE1 4.32Å; L268-F308 HydrophobicContact CB-CZ 4.04Å
269K78.1Confident71.9Confident108 Ų108105.5 Ų105.547%0.4755%0.545SS..Hα-helixtrans-57.6-40.3174.9-176.5174.3-179.6174.40112.1L265 E266 F272 Q273L265-K269 WeakPolarHBondContact O-CB 3.5Å; L265-K269 PolarHBondContact O-N 2.85Å; E266-K269 PolarHBondContact O-N 3.25Å; K269-F272 PolarHBondContact O-N 3.04Å; K269-Q273 WeakPolarHBondContact O-CB 3.16Å; K269-Q273 WeakPolarHBondContact O-CG 3.3Å; K269-Q273 PolarHBondContact O-N 3.32Å
270K80.6Confident69.7Low113 Ų113109 Ų10949%0.49157%0.569SS.*Hα-helixtrans-67.5-34174.3-74.2165.8-174.5168.70113E266 G267 L268 Q273 L274E266-K270 VanDerWaalsContact CD-NZ 3.34Å; E266-K270 WeakPolarHBondContact O-CB 3.34Å; E266-K270 VanDerWaalsContact O-CG 3.28Å; E266-K270 WeakPolarHBondContact O-CG 3.42Å; E266-K270 PolarHBondContact O-N 2.88Å; E266-K270 WeakPolarHBondContact OE1-CE 3.41Å; E266-K270 IonicContact OE1-NZ 3.46Å; E266-K270 PolarHBondContact OE1-NZ 3.19Å; G267-K270 PolarHBondContact O-N 2.88Å; L268-K270 VanDerWaalsContact C-N 3.29Å; L268-K270 PolarHBondContact O-N 3.21Å; K270-Q273 PolarHBondContact O-N 2.81Å; K270-L274 WeakPolarHBondContact O-CB 3.3Å; K270-L274 PolarHBondContact O-N 2.97Å
271H70.8Confident67.3Low145 Ų145108.2 Ų108.267%0.67158%0.584SS**Hα-helixtrans-64.6-45.9172.4-85.1-71.6000112G267 L268 Q273 L274G267-H271 PolarHBondContact O-CD2 3.32Å; G267-H271 VanDerWaalsContact O-CD2 3.29Å; G267-H271 PolarHBondContact O-N 3.47Å; L268-H271 WeakPolarHBondContact O-CB 3.49Å; L268-H271 PolarHBondContact O-N 2.92Å; H271-Q273 VanDerWaalsContact C-N 3.29Å; H271-Q273 PolarHBondContact O-N 3.32Å; H271-L274 PolarHBondContact O-N 2.98Å
272F64.6Low65.3Low129 Ų129113 Ų11357%0.56661%0.605SS**Hα-helixtrans-66.1-28.2176.1-69.2-65.7000113.5L268 K269 F308L268-F272 WeakPolarHBondContact O-CD2 3.35Å; L268-F272 PolarHBondContact O-N 3.1Å; K269-F272 PolarHBondContact O-N 3.04Å; F272-F308 HydrophobicContact CD2-CE2 4.02Å; F272-F308 HydrophobicContact CD2-CZ 4.18Å; F272-F308 HydrophobicContact CE2-CE2 4.1Å; F272-F308 HydrophobicContact CE2-CZ 4.1Å
273Q60.4Low63Low127 Ų127117.3 Ų117.359%0.59362%0.624SS**THydrogen-bonded Turntrans-86-4.5178.2-72.1-176.6-21.300114.7K269 K270 H271K269-Q273 WeakPolarHBondContact O-CB 3.16Å; K269-Q273 WeakPolarHBondContact O-CG 3.3Å; K269-Q273 PolarHBondContact O-N 3.32Å; K270-Q273 PolarHBondContact O-N 2.81Å; H271-Q273 VanDerWaalsContact C-N 3.29Å; H271-Q273 PolarHBondContact O-N 3.32Å
274L57.3Low60.7Low138 Ų138116.5 Ų116.572%0.72363%0.632SS**THydrogen-bonded Turntrans-94.1-4.1-179.4-162.162.6000113.2K270 H271K270-L274 WeakPolarHBondContact O-CB 3.3Å; K270-L274 PolarHBondContact O-N 2.97Å; H271-L274 PolarHBondContact O-N 2.98Å
275E51.1Low58.3Low169 Ų169115.9 Ų115.979%0.7965%0.646SS**SBendtrans-89.2-19.1-180-152.5159.2-147.900112.7V277E275-V277 PolarHBondContact O-N 3.04Å
276D46.9Very low56.3Low149 Ų149120.9 Ų120.980%0.79768%0.678SS**  trans-78.772.7174.7-78.1-40.8000112.6
277V53.5Low55.1Low115 Ų115120.9 Ų120.970%0.69769%0.687SS**PPolyproline II helixtrans-102.3120.6168.8-179.40000109.9E275 P279E275-V277 PolarHBondContact O-N 3.04Å; V277-P279 WeakPolarHBondContact O-CD 3.41Å
278P52.1Low53.3Low113 Ų113125.8 Ų125.873%0.73471%0.714SS**PPolyproline II helixtrans-72.1128.2179.228.6-33.6000111.3
279P49.5Very low51.8Low130 Ų130130.5 Ų130.584%0.84473%0.733SS**PPolyproline II helixtrans-86.9117.9176.832.6-31.5000111.1V277V277-P279 WeakPolarHBondContact O-CD 3.41Å
280D41.9Very low49.5Very low169 Ų169130.7 Ų130.790%0.90475%0.749SS**  trans-143.9125.5172.8-147.5-9.9000109.3
281G38.1Very low47Very low71 Ų71130.5 Ų130.573%0.73276%0.76SS**  trans126101-177.600000116.4
282L43.4Very low45.3Very low155 Ų155128.3 Ų128.381%0.81276%0.761SS**  trans-44.3162.1165.7-89.353.3000114.9
283D36.7Very low43.8Very low143 Ų143129.5 Ų129.577%0.76577%0.773SS**  cis-162.8170.724.9-138.4-31.9000115.8
284S40.3Very low43.1Very low110 Ų110129.7 Ų129.777%0.76979%0.785SS**  trans86.1139.6150.3-147.90000123.2
285A37.3Very low41.8Very low97 Ų97129.1 Ų129.180%0.80279%0.792SS**  trans84147.4165.100000120
286T38.8Very low41.1Very low141 Ų141131 Ų13187%0.86580%0.798SS**  trans-120.2171.5-154.921.30000114.2
287P58.6Low41.2Very low101 Ų101128 Ų12866%0.65679%0.786SS**  trans-101.6-170.3-145.842.3-40.9000115.3
288P43.7Very low40.3Very low131 Ų131132 Ų13285%0.85179%0.789SS**  -126.5161.2108.637.6-33.8000114.7
289Q43.3Very low39.6Very low186 Ų186133.7 Ų133.787%0.86979%0.787SS**  trans-87.8152.4-175-59.8163.1-42.800112.8
290S30.2Very low39.3Very low113 Ų113134.6 Ų134.679%0.7978%0.78SS**  trans-157.7137.8144.1-156.40000113.2
291C28.1Very low39.6Very low109 Ų109130.8 Ų130.874%0.73677%0.767SS**  trans50.578.6158.8-64.10000121.1
292S35.6Very low40.2Very low99 Ų99132.4 Ų132.469%0.69276%0.757SS**  33.894.1118.962.50000120.2
293N33.4Very low40.6Very low154 Ų154128 Ų12882%0.82474%0.743SS**  166.9136.497.8-88.1-11000111.9
294P44.9Very low41.4Very low130 Ų130122.8 Ų122.884%0.84472%0.721SS**  trans-87.1131.8174.833.8-31.9000112
295C31.2Very low42.2Very low127 Ų127121.5 Ų121.586%0.85871%0.711SS**  trans-154.5106.3155.7-162.60000108.9
296F36.8Very low43.2Very low207 Ų207119.8 Ų119.891%0.90870%0.697SS**  trans-130.3162.1176.9-98.2-40.9000109.1
297P48.6Very low44.4Very low87 Ų87118.6 Ų118.657%0.56568%0.68SS**  trans-114.3139.4-133.135.2-21.9000113
298W34.1Very low44.8Very low198 Ų198116 Ų11675%0.7566%0.658SS**SBendtrans-121-19.1178.980.4-61.4000114.5I302W298-I302 HydrophobicContact CE3-CD1 4.39Å; W298-I302 HydrophobicContact CZ3-CD1 4.48Å
299E37.3Very low46Very low150 Ų150112 Ų11270%0.70164%0.637SS**Hα-helixtrans-75.8-37.7178.7-71.1-179.3117.600113.2S301 I302 A303E299-S301 VanDerWaalsContact C-N 3.3Å; E299-S301 PolarHBondContact O-N 3.47Å; E299-I302 PolarHBondContact O-N 3.28Å; E299-A303 PolarHBondContact O-N 3Å; E299-A303 VanDerWaalsContact O-N 3.13Å
300E43.5Very low47.4Very low149 Ų149109.9 Ų109.970%0.69663%0.627SS**Hα-helixtrans-64.8-32.4-179.7-69.7-172.1128.200112.7I302 A303 A304E300-I302 VanDerWaalsContact C-N 3.33Å; E300-I302 PolarHBondContact O-N 3.35Å; E300-A303 PolarHBondContact O-N 2.84Å; E300-A304 WeakPolarHBondContact O-CB 3.46Å; E300-A304 PolarHBondContact O-N 3.36Å
301S47.3Very low49.3Very low88 Ų88106.1 Ų106.162%0.61560%0.599SS**Hα-helixtrans-68.4-32.5177.4-167.20000112.5E299 S305E299-S301 VanDerWaalsContact C-N 3.3Å; E299-S301 PolarHBondContact O-N 3.47Å; S301-S305 WeakPolarHBondContact O-CB 3.34Å; S301-S305 PolarHBondContact O-N 3.26Å
302I50.8Low51.5Low105 Ų105103.4 Ų103.454%0.53859%0.585SS.*Hα-helixtrans-72.4-43175.2-59.7174.9000109.6W298 E299 E300 S305 A306W298-I302 HydrophobicContact CE3-CD1 4.39Å; W298-I302 HydrophobicContact CZ3-CD1 4.48Å; E299-I302 PolarHBondContact O-N 3.28Å; E300-I302 VanDerWaalsContact C-N 3.33Å; E300-I302 PolarHBondContact O-N 3.35Å; I302-S305 PolarHBondContact O-N 3.23Å; I302-A306 PolarHBondContact O-N 2.88Å
303A53.3Low53.4Low62 Ų62103.7 Ų103.751%0.51258%0.579SS.*Hα-helixtrans-61.9-42.9175.200000112.3E299 E300 A306 F307E299-A303 PolarHBondContact O-N 3Å; E299-A303 VanDerWaalsContact O-N 3.13Å; E300-A303 PolarHBondContact O-N 2.84Å; A303-A306 PolarHBondContact O-N 3.04Å; A303-F307 WeakPolarHBondContact O-CB 3.41Å; A303-F307 PolarHBondContact O-N 3.38Å
304A52.1Low55.3Low35 Ų35102.3 Ų102.329%0.28957%0.565SS.*Hα-helixtrans-62.3-43.5174.300000111.8E300 A306 F307 F308E300-A304 WeakPolarHBondContact O-CB 3.46Å; E300-A304 PolarHBondContact O-N 3.36Å; A304-A306 PolarHBondContact O-N 2.96Å; A304-F307 PolarHBondContact O-N 2.98Å; A304-F308 WeakPolarHBondContact O-CD2 3.16Å; A304-F308 PolarHBondContact O-N 3.29Å
305S57.5Low56.7Low82 Ų8297.1 Ų97.157%0.57353%0.532SS*.Hα-helixtrans-61.6-41.9176.7-170.90000112.5S301 I302 A309S301-S305 WeakPolarHBondContact O-CB 3.34Å; S301-S305 PolarHBondContact O-N 3.26Å; I302-S305 PolarHBondContact O-N 3.23Å; S305-A309 PolarHBondContact O-N 2.85Å; S305-A309 VanDerWaalsContact O-N 3.12Å
306A59.3Low58.7Low61 Ų6196.2 Ų96.250%0.50452%0.515SS..Hα-helixtrans-65.7-42.3176.100000112I302 A303 A304 A309 E310I302-A306 PolarHBondContact O-N 2.88Å; A303-A306 PolarHBondContact O-N 3.04Å; A304-A306 PolarHBondContact O-N 2.96Å; A306-A309 WeakPolarHBondContact O-CB 3.43Å; A306-A309 PolarHBondContact O-N 3.17Å; A306-E310 PolarHBondContact O-N 3.37Å
307F64Low60.6Low117 Ų11789.8 Ų89.851%0.51350%0.496SS..Hα-helixtrans-62.6-43.3175.7-180-101.6000112.4A303 A304 A309 E310 V311A303-F307 WeakPolarHBondContact O-CB 3.41Å; A303-F307 PolarHBondContact O-N 3.38Å; A304-F307 PolarHBondContact O-N 2.98Å; F307-A309 VanDerWaalsContact C-N 3.27Å; F307-A309 PolarHBondContact O-N 2.84Å; F307-E310 PolarHBondContact O-N 3.34Å; F307-V311 HydrophobicContact CD1-CG2 4.45Å; F307-V311 HydrophobicContact CD2-CG2 4.3Å; F307-V311 HydrophobicContact CE1-CG2 4.16Å; F307-V311 HydrophobicContact CE2-CG2 3.99Å; F307-V311 HydrophobicContact CZ-CG2 3.92Å; F307-V311 VanDerWaalsContact O-CG2 3.28Å; F307-V311 WeakPolarHBondContact O-CG2 3.3Å; F307-V311 PolarHBondContact O-N 2.87Å
308F65.3Low61.6Low45 Ų4588.1 Ų88.120%0.19748%0.482CS..Hα-helixtrans-65.8-27.7175-79.4-62.9000113.2L265 L268 F272 A304 A312L265-F308 HydrophobicContact CB-CE1 4.34Å; L265-F308 HydrophobicContact CD2-CD1 4.17Å; L265-F308 HydrophobicContact CD2-CE1 3.89Å; L268-F308 HydrophobicContact CB-CE1 4.32Å; L268-F308 HydrophobicContact CB-CZ 4.04Å; F272-F308 HydrophobicContact CD2-CE2 4.02Å; F272-F308 HydrophobicContact CD2-CZ 4.18Å; F272-F308 HydrophobicContact CE2-CE2 4.1Å; F272-F308 HydrophobicContact CE2-CZ 4.1Å; A304-F308 WeakPolarHBondContact O-CD2 3.16Å; A304-F308 PolarHBondContact O-N 3.29Å; F308-A312 VanDerWaalsContact O-CB 3.27Å; F308-A312 WeakPolarHBondContact O-CB 3.15Å; F308-A312 PolarHBondContact O-N 2.97Å; F308-A312 VanDerWaalsContact O-N 3.16Å
309A69.4Low63.8Low49 Ų4982.3 Ų82.341%0.40546%0.463SS..Hα-helixtrans-71.5-53.6172.100000111.4S305 A306 F307 V311 A312 D313S305-A309 PolarHBondContact O-N 2.85Å; S305-A309 VanDerWaalsContact O-N 3.12Å; A306-A309 WeakPolarHBondContact O-CB 3.43Å; A306-A309 PolarHBondContact O-N 3.17Å; F307-A309 VanDerWaalsContact C-N 3.27Å; F307-A309 PolarHBondContact O-N 2.84Å; A309-V311 VanDerWaalsContact C-N 3.26Å; A309-V311 PolarHBondContact O-N 3.15Å; A309-A312 WeakPolarHBondContact O-CA 3.47Å; A309-A312 WeakPolarHBondContact O-CB 3.18Å; A309-A312 PolarHBondContact O-N 3.03Å; A309-D313 PolarHBondContact O-N 3.13Å
310E72.6Confident65.4Low141 Ų14180 Ų8066%0.65945%0.454SS*.Hα-helixtrans-57.1-38.9179.7-174.9179.7-169.700112.3A306 F307 F314A306-E310 PolarHBondContact O-N 3.37Å; F307-E310 PolarHBondContact O-N 3.34Å; E310-F314 WeakPolarHBondContact O-CB 3.48Å; E310-F314 PolarHBondContact O-N 3.16Å
311V70.3Confident67.1Low33 Ų3376.9 Ų76.920%0.244%0.444CS..Hα-helixtrans-75.7-28.9177.4-175.30000112.2L265 F307 A309 C315L265-V311 HydrophobicContact CD1-CB 4.42Å; L265-V311 HydrophobicContact CD1-CG1 3.38Å; L265-V311 HydrophobicContact CD2-CG1 4.2Å; L265-V311 HydrophobicContact CG-CG1 4.44Å; F307-V311 HydrophobicContact CD1-CG2 4.45Å; F307-V311 HydrophobicContact CD2-CG2 4.3Å; F307-V311 HydrophobicContact CE1-CG2 4.16Å; F307-V311 HydrophobicContact CE2-CG2 3.99Å; F307-V311 HydrophobicContact CZ-CG2 3.92Å; F307-V311 VanDerWaalsContact O-CG2 3.28Å; F307-V311 WeakPolarHBondContact O-CG2 3.3Å; F307-V311 PolarHBondContact O-N 2.87Å; A309-V311 VanDerWaalsContact C-N 3.26Å; A309-V311 PolarHBondContact O-N 3.15Å; V311-C315 PolarHBondContact O-N 3.17Å; V311-C315 PolarHBondContact O-SG 3.32Å; V311-C315 VanDerWaalsContact O-SG 3.4Å
312A73.4Confident68.7Low52 Ų5273.8 Ų73.843%0.4342%0.421SS..Hα-helixtrans-68-46.8170.900000111.4F308 A309 F314 C315 E316F308-A312 VanDerWaalsContact O-CB 3.27Å; F308-A312 WeakPolarHBondContact O-CB 3.15Å; F308-A312 PolarHBondContact O-N 2.97Å; F308-A312 VanDerWaalsContact O-N 3.16Å; A309-A312 WeakPolarHBondContact O-CA 3.47Å; A309-A312 WeakPolarHBondContact O-CB 3.18Å; A309-A312 PolarHBondContact O-N 3.03Å; A312-F314 VanDerWaalsContact C-N 3.27Å; A312-F314 PolarHBondContact O-N 3.37Å; A312-C315 WeakPolarHBondContact O-CA 3.41Å; A312-C315 WeakPolarHBondContact O-CB 3.36Å; A312-C315 PolarHBondContact O-N 3.07Å; A312-E316 PolarHBondContact O-N 3.43Å
313D76.3Confident70.1Confident106 Ų10674.2 Ų74.257%0.56742%0.416SS*.Hα-helixtrans-58.7-40.2174.9-64.5-13.2000110.9A309 E316 S317A309-D313 PolarHBondContact O-N 3.13Å; D313-E316 PolarHBondContact O-N 2.91Å; D313-S317 WeakPolarHBondContact O-CB 3.41Å; D313-S317 PolarHBondContact O-N 2.83Å
314F72.8Confident71.1Confident124 Ų12473 Ų7354%0.54441%0.409SS..Hα-helixtrans-62.5-44.6172.2179.5-96.7000112.1E310 A312 N318E310-F314 WeakPolarHBondContact O-CB 3.48Å; E310-F314 PolarHBondContact O-N 3.16Å; A312-F314 VanDerWaalsContact C-N 3.27Å; A312-F314 PolarHBondContact O-N 3.37Å; F314-N318 WeakPolarHBondContact CD2-ND2 3.24Å; F314-N318 WeakPolarHBondContact CE1-ND2 3.33Å; F314-N318 VanDerWaalsContact CE2-ND2 3.26Å; F314-N318 WeakPolarHBondContact CE2-ND2 3.44Å; F314-N318 WeakPolarHBondContact CZ-ND2 3.48Å; F314-N318 WeakPolarHBondContact O-CB 3.32Å; F314-N318 PolarHBondContact O-N 3.49Å; F314-N318 PolarHBondContact O-ND2 2.83Å
315C73.9Confident72.2Confident21 Ų2175.6 Ų75.614%0.14242%0.418CS..Hα-helixtrans-63.2-41.9176.3-780000112.6V311 A312 Q319V311-C315 PolarHBondContact O-N 3.17Å; V311-C315 PolarHBondContact O-SG 3.32Å; V311-C315 VanDerWaalsContact O-SG 3.4Å; A312-C315 WeakPolarHBondContact O-CA 3.41Å; A312-C315 WeakPolarHBondContact O-CB 3.36Å; A312-C315 PolarHBondContact O-N 3.07Å; C315-Q319 WeakPolarHBondContact O-CB 3.47Å; C315-Q319 PolarHBondContact O-N 3.48Å
316E75.1Confident73.1Confident109 Ų10975 Ų7551%0.50941%0.406SS..Hα-helixtrans-67-45.8176.9-176.8165.5-174.300111.7A312 D313 N318 Q319 M320A312-E316 PolarHBondContact O-N 3.43Å; D313-E316 PolarHBondContact O-N 2.91Å; E316-N318 PolarHBondContact O-N 3.39Å; E316-Q319 CarbonylContact O-C 3.56Å; E316-Q319 WeakPolarHBondContact O-CA 3.38Å; E316-Q319 WeakPolarHBondContact O-CB 3.3Å; E316-Q319 PolarHBondContact O-N 2.97Å; E316-M320 WeakPolarHBondContact O-CG 3.17Å; E316-M320 PolarHBondContact O-N 3.19Å
317S76.3Confident73.9Confident71 Ų7177.8 Ų77.850%0.49741%0.408SS..Hα-helixtrans-56.8-46.6175.4-1790000112.1D313 Q319 M320 V321D313-S317 WeakPolarHBondContact O-CB 3.41Å; D313-S317 PolarHBondContact O-N 2.83Å; S317-Q319 VanDerWaalsContact C-N 3.34Å; S317-Q319 PolarHBondContact O-N 3.43Å; S317-M320 PolarHBondContact O-N 3.04Å; S317-V321 WeakPolarHBondContact O-CG2 3.36Å; S317-V321 PolarHBondContact O-N 3.03Å
318N69.5Low74.2Confident53 Ų5375.1 Ų75.128%0.28341%0.408SS..Hα-helixtrans-66.7-33.5174.8-77.9-92.9000112.4L258 F314 E316 V321 L322L258-N318 HydrophobicContact CD1-CB 3.62Å; L258-N318 HydrophobicContact CD2-CB 3.84Å; L258-N318 HydrophobicContact CG-CB 4.38Å; F314-N318 WeakPolarHBondContact CD2-ND2 3.24Å; F314-N318 WeakPolarHBondContact CE1-ND2 3.33Å; F314-N318 VanDerWaalsContact CE2-ND2 3.26Å; F314-N318 WeakPolarHBondContact CE2-ND2 3.44Å; F314-N318 WeakPolarHBondContact CZ-ND2 3.48Å; F314-N318 WeakPolarHBondContact O-CB 3.32Å; F314-N318 PolarHBondContact O-N 3.49Å; F314-N318 PolarHBondContact O-ND2 2.83Å; E316-N318 PolarHBondContact O-N 3.39Å; N318-V321 PolarHBondContact O-N 2.91Å; N318-L322 WeakPolarHBondContact O-CG 3.28Å; N318-L322 PolarHBondContact O-N 3.02Å
319Q78.9Confident74.3Confident76 Ų7674.7 Ų74.736%0.35541%0.408SS..Hα-helixtrans-65.6-41.6174.3-169.917949.500111.6C315 E316 S317 L322 R323C315-Q319 WeakPolarHBondContact O-CB 3.47Å; C315-Q319 PolarHBondContact O-N 3.48Å; E316-Q319 CarbonylContact O-C 3.56Å; E316-Q319 WeakPolarHBondContact O-CA 3.38Å; E316-Q319 WeakPolarHBondContact O-CB 3.3Å; E316-Q319 PolarHBondContact O-N 2.97Å; S317-Q319 VanDerWaalsContact C-N 3.34Å; S317-Q319 PolarHBondContact O-N 3.43Å; Q319-L322 PolarHBondContact O-N 3.12Å; Q319-R323 WeakPolarHBondContact O-CG 3.42Å; Q319-R323 PolarHBondContact O-N 3.35Å
320M72.1Confident74Confident102 Ų10274.7 Ų74.750%0.50240%0.401SS..Hα-helixtrans-63.6-42175-66.7-60.6-167.400111.9E316 S317 L322 R323 G324E316-M320 WeakPolarHBondContact O-CG 3.17Å; E316-M320 PolarHBondContact O-N 3.19Å; S317-M320 PolarHBondContact O-N 3.04Å; M320-L322 VanDerWaalsContact C-N 3.35Å; M320-L322 PolarHBondContact O-N 2.97Å; M320-R323 PolarHBondContact O-N 3.27Å; M320-G324 PolarHBondContact O-N 3.43Å
321V78.9Confident73.4Confident82 Ų8272 Ų7250%0.49740%0.397SS..Hα-helixtrans-62.4-40.5174.7171.60000111.6S317 N318 G324 L325S317-V321 WeakPolarHBondContact O-CG2 3.36Å; S317-V321 PolarHBondContact O-N 3.03Å; N318-V321 PolarHBondContact O-N 2.91Å; V321-G324 PolarHBondContact O-N 3.47Å; V321-L325 HydrophobicContact CG1-CD1 4.1Å; V321-L325 WeakPolarHBondContact O-CB 3.33Å; V321-L325 WeakPolarHBondContact O-CG 3.46Å; V321-L325 PolarHBondContact O-N 3.32Å
322L79.9Confident72.5Confident23 Ų2376.1 Ų76.112%0.1241%0.414CS..Hα-helixtrans-69.5-36.4175.9-72.2177.2000112.9A251 E255 L258 N318 Q319 M320 L325 Q326A251-L322 HydrophobicContact CB-CD2 4.26Å; E255-L322 HydrophobicContact CB-CD1 4.37Å; E255-L322 HydrophobicContact CG-CB 4.37Å; E255-L322 HydrophobicContact CG-CD1 3.78Å; L258-L322 HydrophobicContact CD1-CD1 3.54Å; N318-L322 WeakPolarHBondContact O-CG 3.28Å; N318-L322 PolarHBondContact O-N 3.02Å; Q319-L322 PolarHBondContact O-N 3.12Å; M320-L322 VanDerWaalsContact C-N 3.35Å; M320-L322 PolarHBondContact O-N 2.97Å; L322-L325 HydrophobicContact CD2-CD1 4.43Å; L322-L325 PolarHBondContact O-N 3.2Å; L322-Q326 WeakPolarHBondContact O-CB 3.34Å; L322-Q326 PolarHBondContact O-N 2.88Å
323R80.8Confident71.7Confident114 Ų11477.1 Ų77.143%0.4342%0.423SS..Hα-helixtrans-59.4-51.8170.2-72.2-176.8-154.8-84.12.6111.2Q319 M320 L325 Q326 E327Q319-R323 WeakPolarHBondContact O-CG 3.42Å; Q319-R323 PolarHBondContact O-N 3.35Å; M320-R323 PolarHBondContact O-N 3.27Å; R323-L325 VanDerWaalsContact C-N 3.28Å; R323-L325 PolarHBondContact O-N 3.42Å; R323-Q326 CarbonylContact O-C 3.49Å; R323-Q326 WeakPolarHBondContact O-CA 3.48Å; R323-Q326 PolarHBondContact O-N 3.41Å; R323-E327 WeakPolarHBondContact O-CB 3.36Å; R323-E327 WeakPolarHBondContact O-CG 3.4Å; R323-E327 PolarHBondContact O-N 2.89Å
324G75.3Confident70.6Confident36 Ų3677.7 Ų77.737%0.37143%0.431SS..Hα-helixtrans-60.3-36.4179.100000113.1M320 V321 A328M320-G324 PolarHBondContact O-N 3.43Å; V321-G324 PolarHBondContact O-N 3.47Å; G324-A328 VanDerWaalsContact O-CB 3.3Å; G324-A328 WeakPolarHBondContact O-CB 3.25Å; G324-A328 PolarHBondContact O-N 3.05Å
325L74.4Confident69.4Low91 Ų9175 Ų7548%0.47644%0.438SS..Hα-helixtrans-68.6-37.2171.7-74.4171000112.8V321 L322 R323 L329V321-L325 HydrophobicContact CG1-CD1 4.1Å; V321-L325 WeakPolarHBondContact O-CB 3.33Å; V321-L325 WeakPolarHBondContact O-CG 3.46Å; V321-L325 PolarHBondContact O-N 3.32Å; L322-L325 HydrophobicContact CD2-CD1 4.43Å; L322-L325 PolarHBondContact O-N 3.2Å; R323-L325 VanDerWaalsContact C-N 3.28Å; R323-L325 PolarHBondContact O-N 3.42Å; L325-L329 WeakPolarHBondContact O-CB 3.28Å; L325-L329 WeakPolarHBondContact O-CD1 3.29Å; L325-L329 WeakPolarHBondContact O-CG 3.27Å; L325-L329 PolarHBondContact O-N 3.43Å; L325-L329 VanDerWaalsContact O-N 3.17Å
326Q76.7Confident67.8Low70 Ų7079.6 Ų79.633%0.32747%0.47SS..Hα-helixtrans-67.9-47.5174-178.5176.4-10.700111.2L322 R323 A328 L329 D330L322-Q326 WeakPolarHBondContact O-CB 3.34Å; L322-Q326 PolarHBondContact O-N 2.88Å; R323-Q326 CarbonylContact O-C 3.49Å; R323-Q326 WeakPolarHBondContact O-CA 3.48Å; R323-Q326 PolarHBondContact O-N 3.41Å; Q326-A328 VanDerWaalsContact C-N 3.31Å; Q326-A328 PolarHBondContact O-N 2.99Å; Q326-L329 CarbonylContact O-C 3.45Å; Q326-L329 PolarHBondContact O-N 2.83Å; Q326-D330 VanDerWaalsContact CG-OD2 3.28Å; Q326-D330 WeakPolarHBondContact CG-OD2 3.46Å; Q326-D330 PolarHBondContact NE2-OD2 3.07Å; Q326-D330 WeakPolarHBondContact O-CB 3.48Å; Q326-D330 PolarHBondContact O-N 2.99Å
327E75.3Confident66.3Low118 Ų11880 Ų8055%0.55149%0.485SS*.Hα-helixtrans-59.8-40.6179.7-73.2162.9-159.800111.4R323 S331R323-E327 WeakPolarHBondContact O-CB 3.36Å; R323-E327 WeakPolarHBondContact O-CG 3.4Å; R323-E327 PolarHBondContact O-N 2.89Å; E327-S331 WeakPolarHBondContact O-CB 3.43Å; E327-S331 PolarHBondContact O-N 2.94Å; E327-S331 PolarHBondContact O-OG 3.41Å
328A70.6Confident65.3Low61 Ų6182.3 Ų82.350%0.50450%0.501SS..Hα-helixtrans-66.1-34.4172.600000113.4G324 Q326G324-A328 VanDerWaalsContact O-CB 3.3Å; G324-A328 WeakPolarHBondContact O-CB 3.25Å; G324-A328 PolarHBondContact O-N 3.05Å; Q326-A328 VanDerWaalsContact C-N 3.31Å; Q326-A328 PolarHBondContact O-N 2.99Å
329L67.6Low63.9Low37 Ų3785 Ų8519%0.19452%0.524CS..Hα-helixtrans-80.3-33.7178.2-74171000113.4R247 L325 Q326R247-L329 HydrophobicContact CB-CD1 4.25Å; L325-L329 WeakPolarHBondContact O-CB 3.28Å; L325-L329 WeakPolarHBondContact O-CD1 3.29Å; L325-L329 WeakPolarHBondContact O-CG 3.27Å; L325-L329 PolarHBondContact O-N 3.43Å; L325-L329 VanDerWaalsContact O-N 3.17Å; Q326-L329 CarbonylContact O-C 3.45Å; Q326-L329 PolarHBondContact O-N 2.83Å
330D62.3Low62.5Low49 Ų4988.2 Ų88.226%0.26254%0.543SS..Hα-helixtrans-79.4-26.6176.8-78.2-28.6000111.1R248 Q326 E332 A333R248-D330 IonicContact CZ-OD1 3.85Å; R248-D330 IonicContact CZ-OD2 3.13Å; R248-D330 IonicContact NH1-OD1 2.67Å; R248-D330 PolarHBondContact NH1-OD1 2.85Å; R248-D330 IonicContact NH2-OD1 3.66Å; R248-D330 PolarHBondContact NH2-OD1 3.27Å; R248-D330 IonicContact NH2-OD2 2.66Å; R248-D330 PolarHBondContact NH2-OD2 3.15Å; R248-D330 VanDerWaalsContact NH2-OD2 3.13Å; Q326-D330 VanDerWaalsContact CG-OD2 3.28Å; Q326-D330 WeakPolarHBondContact CG-OD2 3.46Å; Q326-D330 PolarHBondContact NE2-OD2 3.07Å; Q326-D330 WeakPolarHBondContact O-CB 3.48Å; Q326-D330 PolarHBondContact O-N 2.99Å; D330-E332 PolarHBondContact O-N 3.31Å; D330-A333 VanDerWaalsContact O-CB 3.23Å; D330-A333 WeakPolarHBondContact O-CB 3.43Å; D330-A333 PolarHBondContact O-N 3.35Å; D330-A333 VanDerWaalsContact O-N 3.08Å
331S60.5Low61.2Low83 Ų8390 Ų9058%0.5856%0.555SS**Hα-helixtrans-69.1-26.8173.6-66.10000113.9E327 A333 T334E327-S331 WeakPolarHBondContact O-CB 3.43Å; E327-S331 PolarHBondContact O-N 2.94Å; E327-S331 PolarHBondContact O-OG 3.41Å; S331-A333 PolarHBondContact O-N 3.22Å; S331-T334 PolarHBondContact O-OG1 3.09Å
332E52.8Low59.6Low120 Ų12095 Ų9556%0.56157%0.573SS**THydrogen-bonded Turntrans-73-11.7169.2-76.9-161.6176.300113.1R244 D330R244-E332 VanDerWaalsContact CD-OE2 3.27Å; R244-E332 WeakPolarHBondContact CD-OE2 3.19Å; R244-E332 IonicContact CZ-OE2 2.63Å; R244-E332 IonicContact NE-OE2 3.69Å; R244-E332 IonicContact NH1-OE2 3.27Å; R244-E332 PolarHBondContact NH1-OE2 2.82Å; D330-E332 PolarHBondContact O-N 3.31Å
333A55.2Low58Low74 Ų74101.1 Ų101.161%0.61261%0.605SS**THydrogen-bonded Turntrans-80.7-23.5-174.800000114D330 S331D330-A333 VanDerWaalsContact O-CB 3.23Å; D330-A333 WeakPolarHBondContact O-CB 3.43Å; D330-A333 PolarHBondContact O-N 3.35Å; D330-A333 VanDerWaalsContact O-N 3.08Å; S331-A333 PolarHBondContact O-N 3.22Å
334T53.2Low56Low118 Ų118103.8 Ų103.872%0.72462%0.623SS**SBendtrans-91.5-17.3-179.147.60000113.9S331 S336S331-T334 PolarHBondContact O-OG1 3.09Å; T334-S336 PolarHBondContact O-N 2.86Å
335G47.8Very low54.8Low67 Ų67111.2 Ų111.269%0.69165%0.648SS**SBendtrans-71.126.4-179.900000115.8
336S40Very low53Low118 Ų118113.4 Ų113.483%0.82566%0.66SS**  trans-153.652.8-178.2-71.80000112.6T334T334-S336 PolarHBondContact O-N 2.86Å
337S43.3Very low51.7Low116 Ų116118.1 Ų118.181%0.81168%0.684SS**  trans-119.2132157.8-1680000109.5
338S56.4Low50.1Low120 Ų120120.6 Ų120.684%0.83970%0.7SS**  trans-91.8129.9-177.6-178.90000110.6
339S40.6Very low48.8Very low110 Ų110123.5 Ų123.577%0.76972%0.716SS**  trans-140.3140.8146-162.60000108.5
340D48.2Very low47.9Very low143 Ų143126.2 Ų126.277%0.76574%0.737SS**  trans-77-178.1156.4-149-19.2000108.3
341D44.6Very low47.1Very low141 Ų141131.8 Ų131.875%0.75476%0.759SS**  trans97.3116.8173.3-56.2-30.2000117.9
342E45.3Very low46.5Very low186 Ų186132.9 Ų132.987%0.86977%0.766SS**  trans55.490.9147.6-52.3-159.3149.600121.5
343L46.7Very low46.5Very low152 Ų152131.9 Ų131.980%0.79677%0.772SS**  46.499.8112-160.5165000118.1
344E39.5Very low46.5Very low170 Ų170130.4 Ų130.479%0.79476%0.758SS**  trans-142.4136137.3-89.4-56.9172.300110.4
345E50.7Low47.2Very low192 Ų192128.8 Ų128.890%0.89775%0.751SS**  trans-102.487170.6-80.8-165.9122.100109.4
346D36.9Very low48.3Very low136 Ų136129.3 Ų129.373%0.72775%0.745SS**  trans-137.1101.8172-148.413.1000115.9L348D346-L348 PolarHBondContact O-N 3.39Å
347M47.5Very low50.5Low169 Ų169129.7 Ų129.783%0.83373%0.733SS**  trans36.572.9136-63.9-88.2-74.800120
348L41.8Very low52.2Low170 Ų170130.4 Ų130.489%0.8973%0.725SS**  trans-135.5118.3146.3-75.5-179.6000111.7D346 P350D346-L348 PolarHBondContact O-N 3.39Å; L348-P350 WeakPolarHBondContact O-CD 3.42Å
349S43.6Very low53.7Low122 Ų122129.3 Ų129.385%0.85371%0.707SS**  trans-118.998.8-178.651.20000112.8
350P48.4Very low56.2Low95 Ų95130.7 Ų130.762%0.61770%0.695SS**  trans-10525.5175.537.7-33000114.1L348L348-P350 WeakPolarHBondContact O-CD 3.42Å
351F45.7Very low58.4Low166 Ų166128 Ų12873%0.72868%0.681SS**  trans-126.377.3-170.5-70.5-72.8000115S354F351-S354 WeakPolarHBondContact CD1-OG 3.27Å
352S48.9Very low60.7Low105 Ų105128.1 Ų128.173%0.73468%0.676SS**SBendtrans-134-44.7157.9-71.60000111.9S354S352-S354 PolarHBondContact O-N 2.72Å
353S51.8Low63.1Low99 Ų99123.9 Ų123.969%0.69266%0.657SS**Hα-helixtrans-71.5-29.9-173.7-46.90000114.6S355 S356S353-S355 VanDerWaalsContact C-N 3.3Å; S353-S355 PolarHBondContact O-N 2.71Å; S353-S356 PolarHBondContact O-OG 3.01Å
354S56.4Low65.4Low43 Ų43123.3 Ų123.330%0.30164%0.644SS.*Hα-helixtrans-73.6-18.5-177.548.60000113.6F351 S352 E357 M358F351-S354 WeakPolarHBondContact CD1-OG 3.27Å; S352-S354 PolarHBondContact O-N 2.72Å; S354-E357 PolarHBondContact O-N 2.93Å; S354-M358 VanDerWaalsContact O-CB 3.23Å; S354-M358 WeakPolarHBondContact O-CB 3.17Å; S354-M358 PolarHBondContact O-N 3.44Å
355S67.3Low68.1Low84 Ų84117.9 Ų117.959%0.58763%0.629SS**Hα-helixtrans-66.7-41.8178.4-169.20000112S353 Q359S353-S355 VanDerWaalsContact C-N 3.3Å; S353-S355 PolarHBondContact O-N 2.71Å; S355-Q359 WeakPolarHBondContact O-CB 3.46Å; S355-Q359 PolarHBondContact O-N 3.29Å
356S71.6Confident70.3Confident79 Ų79113.1 Ų113.155%0.55261%0.606SS**Hα-helixtrans-72.8-34176.941.20000112.9S353 W360S353-S356 PolarHBondContact O-OG 3.01Å; S356-W360 WeakPolarHBondContact O-CB 3.47Å; S356-W360 PolarHBondContact O-N 2.84Å
357E85.4Confident73.1Confident125 Ų125111.7 Ų111.758%0.58460%0.598SS**Hα-helixtrans-69.7-44.8175.1-174.2172.6-164.900111.5S354 Q359 W360 L361S354-E357 PolarHBondContact O-N 2.93Å; E357-Q359 PolarHBondContact O-N 2.92Å; E357-W360 PolarHBondContact O-N 3.24Å; E357-L361 HydrophobicContact CG-CD1 4.38Å; E357-L361 WeakPolarHBondContact O-CG 3.29Å; E357-L361 PolarHBondContact O-N 3.01Å
358M79.6Confident75.4Confident132 Ų132106.4 Ų106.465%0.6558%0.578SS**Hα-helixtrans-59.8-44.7174.6-16582.872.700111.3S354 L361 E362S354-M358 VanDerWaalsContact O-CB 3.23Å; S354-M358 WeakPolarHBondContact O-CB 3.17Å; S354-M358 PolarHBondContact O-N 3.44Å; M358-L361 PolarHBondContact O-N 3.06Å; M358-E362 WeakPolarHBondContact O-CB 3.38Å; M358-E362 PolarHBondContact O-N 3.2Å
359Q88.1Confident77.9Confident97 Ų97101.3 Ų101.345%0.45356%0.556SS.*Hα-helixtrans-62.7-43.4176.2-176.1-177.8-26.200111.8S355 E357 L361 E362 E363S355-Q359 WeakPolarHBondContact O-CB 3.46Å; S355-Q359 PolarHBondContact O-N 3.29Å; E357-Q359 PolarHBondContact O-N 2.92Å; Q359-L361 VanDerWaalsContact C-N 3.32Å; Q359-L361 PolarHBondContact O-N 3.27Å; Q359-E362 PolarHBondContact O-N 2.96Å; Q359-E363 HydrophobicContact CG-CG 4.43Å; Q359-E363 WeakPolarHBondContact CG-OE1 3.38Å; Q359-E363 PolarHBondContact NE2-OE1 2.86Å; Q359-E363 WeakPolarHBondContact O-CB 3.29Å; Q359-E363 WeakPolarHBondContact O-CG 3.45Å; Q359-E363 PolarHBondContact O-N 3.49Å
360W92.5Very high80.5Confident138 Ų138101.4 Ų101.452%0.52354%0.538SS..Hα-helixtrans-63.5-37.1176.7-178.888.5000112.5S356 E357 R364S356-W360 WeakPolarHBondContact O-CB 3.47Å; S356-W360 PolarHBondContact O-N 2.84Å; E357-W360 PolarHBondContact O-N 3.24Å; W360-R364 VanDerWaalsContact CD2-CD 3.5Å; W360-R364 HydrophobicContact CD2-CG 4.47Å; W360-R364 VanDerWaalsContact CE2-CD 3.41Å; W360-R364 VanDerWaalsContact CH2-CD 3.44Å; W360-R364 VanDerWaalsContact CZ2-CD 3.4Å; W360-R364 VanDerWaalsContact CZ3-CD 3.49Å; W360-R364 WeakPolarHBondContact O-CB 3.46Å; W360-R364 WeakPolarHBondContact O-CD 3.21Å; W360-R364 VanDerWaalsContact O-CG 3.22Å; W360-R364 WeakPolarHBondContact O-CG 3.46Å; W360-R364 PolarHBondContact O-N 3.36Å
361L94.9Very high82.8Confident88 Ų88104.5 Ų104.546%0.46154%0.538SS..Hα-helixtrans-67.7-40172.7-70.7172.3000111.9E357 M358 Q359 R364 A365E357-L361 HydrophobicContact CG-CD1 4.38Å; E357-L361 WeakPolarHBondContact O-CG 3.29Å; E357-L361 PolarHBondContact O-N 3.01Å; M358-L361 PolarHBondContact O-N 3.06Å; Q359-L361 VanDerWaalsContact C-N 3.32Å; Q359-L361 PolarHBondContact O-N 3.27Å; L361-R364 PolarHBondContact O-N 2.93Å; L361-A365 WeakPolarHBondContact O-CB 3.39Å; L361-A365 PolarHBondContact O-N 3.22Å
362E92.2Very high85.3Confident142 Ų142101 Ų10166%0.66453%0.526SS*.Hα-helixtrans-66.5-45.7176-175.2169.5-158.600111.9M358 Q359 R364 A365 E366M358-E362 WeakPolarHBondContact O-CB 3.38Å; M358-E362 PolarHBondContact O-N 3.2Å; Q359-E362 PolarHBondContact O-N 2.96Å; E362-R364 VanDerWaalsContact C-N 3.31Å; E362-R364 PolarHBondContact O-N 3.32Å; E362-A365 WeakPolarHBondContact O-CB 3.48Å; E362-A365 PolarHBondContact O-N 3.03Å; E362-E366 PolarHBondContact O-N 3.44Å
363E95.1Very high87.6Confident98 Ų98103 Ų10346%0.45852%0.517SS..Hα-helixtrans-60.5-40.1174.8-74.4177-162.300111.5Q359 E366 L367Q359-E363 HydrophobicContact CG-CG 4.43Å; Q359-E363 WeakPolarHBondContact CG-OE1 3.38Å; Q359-E363 PolarHBondContact NE2-OE1 2.86Å; Q359-E363 WeakPolarHBondContact O-CB 3.29Å; Q359-E363 WeakPolarHBondContact O-CG 3.45Å; Q359-E363 PolarHBondContact O-N 3.49Å; E363-E366 PolarHBondContact O-N 2.88Å; E363-L367 WeakPolarHBondContact O-CB 3.5Å; E363-L367 VanDerWaalsContact O-CG 3.23Å; E363-L367 WeakPolarHBondContact O-CG 3.32Å; E363-L367 PolarHBondContact O-N 3.2Å
364R96.5Very high89.9Confident139 Ų139102.3 Ų102.353%0.52551%0.505SS..Hα-helixtrans-68.4-39.3173.7-76171.663.893.6-2.2112.7W360 L361 E362 E366 L367 S368W360-R364 VanDerWaalsContact CD2-CD 3.5Å; W360-R364 HydrophobicContact CD2-CG 4.47Å; W360-R364 VanDerWaalsContact CE2-CD 3.41Å; W360-R364 VanDerWaalsContact CH2-CD 3.44Å; W360-R364 VanDerWaalsContact CZ2-CD 3.4Å; W360-R364 VanDerWaalsContact CZ3-CD 3.49Å; W360-R364 WeakPolarHBondContact O-CB 3.46Å; W360-R364 WeakPolarHBondContact O-CD 3.21Å; W360-R364 VanDerWaalsContact O-CG 3.22Å; W360-R364 WeakPolarHBondContact O-CG 3.46Å; W360-R364 PolarHBondContact O-N 3.36Å; L361-R364 PolarHBondContact O-N 2.93Å; E362-R364 VanDerWaalsContact C-N 3.31Å; E362-R364 PolarHBondContact O-N 3.32Å; R364-E366 VanDerWaalsContact C-N 3.35Å; R364-L367 PolarHBondContact O-N 3.37Å; R364-S368 WeakPolarHBondContact O-CB 3.23Å; R364-S368 PolarHBondContact O-N 3.16Å; R364-S368 PolarHBondContact O-OG 2.92Å
365A94.9Very high91.8Very high57 Ų57105.7 Ų105.747%0.47152%0.516SS..Hα-helixtrans-60.6-46.3172.900000110.2L361 E362 S368 S369L361-A365 WeakPolarHBondContact O-CB 3.39Å; L361-A365 PolarHBondContact O-N 3.22Å; E362-A365 WeakPolarHBondContact O-CB 3.48Å; E362-A365 PolarHBondContact O-N 3.03Å; A365-S368 PolarHBondContact O-N 2.95Å; A365-S368 PolarHBondContact O-OG 3.48Å; A365-S369 PolarHBondContact O-N 3.31Å
366E96.5Very high93.3Very high91 Ų91106.9 Ų106.943%0.42552%0.515SS..Hα-helixtrans-64.1-47.7177.5-151.3-151.3173.300111.8E362 E363 R364 S368 S369 R370E362-E366 PolarHBondContact O-N 3.44Å; E363-E366 PolarHBondContact O-N 2.88Å; R364-E366 VanDerWaalsContact C-N 3.35Å; E366-S368 VanDerWaalsContact C-N 3.32Å; E366-S368 PolarHBondContact O-N 2.96Å; E366-S369 PolarHBondContact O-N 2.86Å; E366-S369 VanDerWaalsContact O-N 3.11Å; E366-S369 PolarHBondContact O-OG 3.25Å; E366-R370 WeakPolarHBondContact O-CB 3.15Å; E366-R370 WeakPolarHBondContact O-CG 3.49Å; E366-R370 PolarHBondContact O-N 3.36Å; E366-R370 IonicContact OE1-CZ 3.11Å; E366-R370 IonicContact OE1-NE 2.7Å; E366-R370 PolarHBondContact OE1-NE 3.18Å; E366-R370 IonicContact OE1-NH2 2.75Å; E366-R370 PolarHBondContact OE1-NH2 2.98Å; E366-R370 IonicContact OE2-CZ 3.85Å; E366-R370 IonicContact OE2-NE 2.66Å; E366-R370 PolarHBondContact OE2-NE 2.94Å; E366-R370 IonicContact OE2-NH1 2.9Å; E366-R370 IonicContact OE2-NH2 3.72Å; E366-R370 PolarHBondContact OE2-NH2 3.47Å
367L97.4Very high94.5Very high106 Ų106107.3 Ų107.356%0.55551%0.505SS*.Hα-helixtrans-57.8-42.2176-75.8170.2000112E363 R364 R370 W371E363-L367 WeakPolarHBondContact O-CB 3.5Å; E363-L367 VanDerWaalsContact O-CG 3.23Å; E363-L367 WeakPolarHBondContact O-CG 3.32Å; E363-L367 PolarHBondContact O-N 3.2Å; R364-L367 PolarHBondContact O-N 3.37Å; L367-R370 PolarHBondContact O-N 3Å; L367-W371 WeakPolarHBondContact O-CB 3.31Å; L367-W371 PolarHBondContact O-N 2.81Å
368S94.9Very high95.1Very high59 Ų59106.7 Ų106.741%0.41350%0.503SS..Hα-helixtrans-65.7-38.6175.374.50000112.3R364 A365 E366 W371 I372R364-S368 WeakPolarHBondContact O-CB 3.23Å; R364-S368 PolarHBondContact O-N 3.16Å; R364-S368 PolarHBondContact O-OG 2.92Å; A365-S368 PolarHBondContact O-N 2.95Å; A365-S368 PolarHBondContact O-OG 3.48Å; E366-S368 VanDerWaalsContact C-N 3.32Å; E366-S368 PolarHBondContact O-N 2.96Å; S368-W371 PolarHBondContact O-N 3.48Å; S368-I372 WeakPolarHBondContact O-CB 3.39Å; S368-I372 VanDerWaalsContact O-CG1 3.25Å; S368-I372 WeakPolarHBondContact O-CG1 3.19Å; S368-I372 PolarHBondContact O-N 2.9Å
369S95.2Very high95.9Very high62 Ų62103.7 Ų103.743%0.43450%0.495SS..Hα-helixtrans-66-41.317680.80000112.1A365 E366 I372 W373A365-S369 PolarHBondContact O-N 3.31Å; E366-S369 PolarHBondContact O-N 2.86Å; E366-S369 VanDerWaalsContact O-N 3.11Å; E366-S369 PolarHBondContact O-OG 3.25Å; S369-I372 PolarHBondContact O-N 3.46Å; S369-W373 WeakPolarHBondContact O-CB 3.32Å; S369-W373 PolarHBondContact O-N 3.09Å
370R97.5Very high96.3Very high125 Ų125102 Ų10247%0.47249%0.487SS..Hα-helixtrans-64.7-39.8174.2-70170.5174.4-168.24.3110.8E366 L367 L374E366-R370 WeakPolarHBondContact O-CB 3.15Å; E366-R370 WeakPolarHBondContact O-CG 3.49Å; E366-R370 PolarHBondContact O-N 3.36Å; E366-R370 IonicContact OE1-CZ 3.11Å; E366-R370 IonicContact OE1-NE 2.7Å; E366-R370 PolarHBondContact OE1-NE 3.18Å; E366-R370 IonicContact OE1-NH2 2.75Å; E366-R370 PolarHBondContact OE1-NH2 2.98Å; E366-R370 IonicContact OE2-CZ 3.85Å; E366-R370 IonicContact OE2-NE 2.66Å; E366-R370 PolarHBondContact OE2-NE 2.94Å; E366-R370 IonicContact OE2-NH1 2.9Å; E366-R370 IonicContact OE2-NH2 3.72Å; E366-R370 PolarHBondContact OE2-NH2 3.47Å; L367-R370 PolarHBondContact O-N 3Å; R370-L374 WeakPolarHBondContact O-CG 3.36Å; R370-L374 PolarHBondContact O-N 2.84Å
371W97.3Very high96.6Very high160 Ų160100 Ų10061%0.60649%0.486SS*.Hα-helixtrans-65.6-48.6174.8177.8-98.8000112.5L367 S368 W373 L374 Q375L367-W371 WeakPolarHBondContact O-CB 3.31Å; L367-W371 PolarHBondContact O-N 2.81Å; S368-W371 PolarHBondContact O-N 3.48Å; W371-W373 VanDerWaalsContact C-N 3.27Å; W371-W373 PolarHBondContact O-N 3.34Å; W371-L374 WeakPolarHBondContact O-CB 3.4Å; W371-L374 PolarHBondContact O-N 2.69Å; W371-L374 VanDerWaalsContact O-N 3.08Å; W371-Q375 WeakPolarHBondContact O-CB 3.45Å; W371-Q375 PolarHBondContact O-N 2.81Å
372I97.8Very high96.7Very high93 Ų9399.8 Ų99.848%0.47749%0.486SS..Hα-helixtrans-60.3-39.9176.7-69.6163.4000110.3S368 S369 Q375 L376S368-I372 WeakPolarHBondContact O-CB 3.39Å; S368-I372 VanDerWaalsContact O-CG1 3.25Å; S368-I372 WeakPolarHBondContact O-CG1 3.19Å; S368-I372 PolarHBondContact O-N 2.9Å; S369-I372 PolarHBondContact O-N 3.46Å; I372-Q375 PolarHBondContact O-N 3.48Å; I372-L376 HydrophobicContact CG2-CD1 4.08Å; I372-L376 WeakPolarHBondContact O-CB 3.39Å; I372-L376 VanDerWaalsContact O-CG 3.29Å; I372-L376 WeakPolarHBondContact O-CG 3.49Å; I372-L376 PolarHBondContact O-N 2.89Å
373W97.5Very high96.9Very high147 Ų14794 Ų9456%0.55746%0.464SS*.Hα-helixtrans-60.9-46172.5-175.798.5000112.1S369 W371 L376 R377S369-W373 WeakPolarHBondContact O-CB 3.32Å; S369-W373 PolarHBondContact O-N 3.09Å; W371-W373 VanDerWaalsContact C-N 3.27Å; W371-W373 PolarHBondContact O-N 3.34Å; W373-L376 PolarHBondContact O-N 3.48Å; W373-R377 HydrophobicContact CD2-CG 3.99Å; W373-R377 HydrophobicContact CE3-CG 3.95Å; W373-R377 HydrophobicContact CH2-CG 3.91Å; W373-R377 HydrophobicContact CZ2-CG 3.96Å; W373-R377 HydrophobicContact CZ3-CG 3.91Å; W373-R377 WeakPolarHBondContact O-CG 3.49Å; W373-R377 PolarHBondContact O-N 3.17Å
374L98.3Very high97Very high84 Ų8493.5 Ų93.544%0.4446%0.458SS..Hα-helixtrans-61.9-45.3176.2-76.5168.9000111.8R370 W371 L376 R377 M378R370-L374 WeakPolarHBondContact O-CG 3.36Å; R370-L374 PolarHBondContact O-N 2.84Å; W371-L374 WeakPolarHBondContact O-CB 3.4Å; W371-L374 PolarHBondContact O-N 2.69Å; W371-L374 VanDerWaalsContact O-N 3.08Å; L374-L376 PolarHBondContact O-N 3.03Å; L374-R377 CarbonylContact O-C 3.58Å; L374-R377 PolarHBondContact O-N 3.44Å; L374-R377 VanDerWaalsContact O-N 3.12Å; L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 2.9Å
375Q97.8Very high97Very high113 Ų11391.5 Ų91.553%0.52846%0.457SS..Hα-helixtrans-61.3-42.4178.3-172.4175.1-0.300111.6W371 I372 M378 S379W371-Q375 WeakPolarHBondContact O-CB 3.45Å; W371-Q375 PolarHBondContact O-N 2.81Å; I372-Q375 PolarHBondContact O-N 3.48Å; Q375-M378 PolarHBondContact O-N 2.8Å; Q375-S379 PolarHBondContact O-N 2.86Å
376L97.8Very high97.1Very high109 Ų10995.5 Ų95.557%0.57147%0.466SS*.Hα-helixtrans-61.5-44.6171.9-74168.6000111.5I372 W373 L374 M378 S379 E380I372-L376 HydrophobicContact CG2-CD1 4.08Å; I372-L376 WeakPolarHBondContact O-CB 3.39Å; I372-L376 VanDerWaalsContact O-CG 3.29Å; I372-L376 WeakPolarHBondContact O-CG 3.49Å; I372-L376 PolarHBondContact O-N 2.89Å; W373-L376 PolarHBondContact O-N 3.48Å; L374-L376 PolarHBondContact O-N 3.03Å; L376-M378 PolarHBondContact O-N 2.85Å; L376-S379 PolarHBondContact O-N 3.31Å; L376-S379 PolarHBondContact O-OG 2.85Å; L376-E380 WeakPolarHBondContact O-CB 3.47Å; L376-E380 PolarHBondContact O-N 3.3Å
377R97.1Very high97.1Very high88 Ų8897.6 Ų97.633%0.33248%0.476SS..Hα-helixtrans-66-33.3176.7-67.7-56.8179.1-164.1-6.7113.6W373 L374 E380 L381W373-R377 HydrophobicContact CD2-CG 3.99Å; W373-R377 HydrophobicContact CE3-CG 3.95Å; W373-R377 HydrophobicContact CH2-CG 3.91Å; W373-R377 HydrophobicContact CZ2-CG 3.96Å; W373-R377 HydrophobicContact CZ3-CG 3.91Å; W373-R377 WeakPolarHBondContact O-CG 3.49Å; W373-R377 PolarHBondContact O-N 3.17Å; L374-R377 CarbonylContact O-C 3.58Å; L374-R377 PolarHBondContact O-N 3.44Å; L374-R377 VanDerWaalsContact O-N 3.12Å; R377-E380 WeakPolarHBondContact CD-OE2 3.35Å; R377-E380 IonicContact CZ-OE2 3.76Å; R377-E380 IonicContact NE-OE2 3.11Å; R377-E380 IonicContact NH1-OE1 2.69Å; R377-E380 IonicContact NH1-OE2 2.8Å; R377-E380 PolarHBondContact NH1-OE2 2.87Å; R377-L381 VanDerWaalsContact O-CG 3.29Å; R377-L381 WeakPolarHBondContact O-CG 3.19Å; R377-L381 PolarHBondContact O-N 3.17Å; R377-L381 VanDerWaalsContact O-N 3.09Å
378M97.6Very high97Very high113 Ų11397.5 Ų97.556%0.55748%0.475SS*.Hα-helixtrans-63.8-53.4171.7-71.917562.100109.9L374 Q375 L376 E380 L381 D382L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 2.9Å; Q375-M378 PolarHBondContact O-N 2.8Å; L376-M378 PolarHBondContact O-N 2.85Å; M378-E380 VanDerWaalsContact C-N 3.26Å; M378-E380 PolarHBondContact O-N 2.95Å; M378-L381 CarbonylContact O-C 3.6Å; M378-L381 WeakPolarHBondContact O-CA 3.23Å; M378-L381 WeakPolarHBondContact O-CB 3.26Å; M378-L381 PolarHBondContact O-N 3Å; M378-D382 VanDerWaalsContact O-CG 3.32Å; M378-D382 PolarHBondContact O-N 3.37Å; M378-D382 VanDerWaalsContact O-OD2 3.11Å
379S96Very high97.1Very high68 Ų6899 Ų9948%0.47648%0.481SS..Hα-helixtrans-59.1-33.4177.572.10000114Q375 L376 G383Q375-S379 PolarHBondContact O-N 2.86Å; L376-S379 PolarHBondContact O-N 3.31Å; L376-S379 PolarHBondContact O-OG 2.85Å; S379-G383 PolarHBondContact O-N 3.06Å
380E97.6Very high97.1Very high63 Ų63100.4 Ų100.429%0.29448%0.481SS..Hα-helixtrans-66.8-36.4173.1-174.8-172.1-173.600112.1L376 R377 M378 R384L376-E380 WeakPolarHBondContact O-CB 3.47Å; L376-E380 PolarHBondContact O-N 3.3Å; R377-E380 WeakPolarHBondContact CD-OE2 3.35Å; R377-E380 IonicContact CZ-OE2 3.76Å; R377-E380 IonicContact NE-OE2 3.11Å; R377-E380 IonicContact NH1-OE1 2.69Å; R377-E380 IonicContact NH1-OE2 2.8Å; R377-E380 PolarHBondContact NH1-OE2 2.87Å; M378-E380 VanDerWaalsContact C-N 3.26Å; M378-E380 PolarHBondContact O-N 2.95Å; E380-R384 VanDerWaalsContact O-CD 3.27Å; E380-R384 WeakPolarHBondContact O-CD 3.21Å; E380-R384 WeakPolarHBondContact O-CG 3.42Å; E380-R384 PolarHBondContact O-N 2.83Å; E380-R384 IonicContact OE1-CZ 2.72Å; E380-R384 VanDerWaalsContact OE1-CZ 3.22Å; E380-R384 IonicContact OE1-NH1 2.71Å; E380-R384 PolarHBondContact OE1-NH1 3.4Å; E380-R384 IonicContact OE1-NH2 3.13Å; E380-R384 PolarHBondContact OE1-NH2 3.12Å
381L97.8Very high97Very high94 Ų9497.8 Ų97.849%0.49248%0.476SS..Hα-helixtrans-74.8-42.2175.5-72170.1000111.8R377 M378 R384 I385R377-L381 VanDerWaalsContact O-CG 3.29Å; R377-L381 WeakPolarHBondContact O-CG 3.19Å; R377-L381 PolarHBondContact O-N 3.17Å; R377-L381 VanDerWaalsContact O-N 3.09Å; M378-L381 CarbonylContact O-C 3.6Å; M378-L381 WeakPolarHBondContact O-CA 3.23Å; M378-L381 WeakPolarHBondContact O-CB 3.26Å; M378-L381 PolarHBondContact O-N 3Å; L381-R384 CarbonylContact O-C 3.57Å; L381-R384 WeakPolarHBondContact O-CA 3.28Å; L381-R384 WeakPolarHBondContact O-CB 3.29Å; L381-R384 PolarHBondContact O-N 3.19Å; L381-R384 VanDerWaalsContact O-N 3.07Å; L381-I385 WeakPolarHBondContact O-CG1 3.32Å; L381-I385 PolarHBondContact O-N 3.3Å
382D97.7Very high96.7Very high85 Ų8594.5 Ų94.546%0.45547%0.467SS..Hα-helixtrans-61.5-48.9177.5-62.8-38.5000110.5M378 R384 I385 E386M378-D382 VanDerWaalsContact O-CG 3.32Å; M378-D382 PolarHBondContact O-N 3.37Å; M378-D382 VanDerWaalsContact O-OD2 3.11Å; D382-R384 PolarHBondContact O-N 2.91Å; D382-R384 VanDerWaalsContact O-N 3.15Å; D382-I385 WeakPolarHBondContact O-CA 3.32Å; D382-I385 WeakPolarHBondContact O-CB 3.47Å; D382-I385 PolarHBondContact O-N 2.91Å; D382-E386 WeakPolarHBondContact O-CG 3.44Å; D382-E386 PolarHBondContact O-N 3.15Å
383G96.3Very high96.4Very high21 Ų2195.8 Ų95.822%0.21647%0.47CS..Hα-helixtrans-61.5-23.3173.900000114.2S379 Q387S379-G383 PolarHBondContact O-N 3.06Å; G383-Q387 WeakPolarHBondContact O-CG 3.46Å; G383-Q387 PolarHBondContact O-N 3.33Å; G383-Q387 PolarHBondContact O-NE2 3.49Å
384R97Very high96Very high86 Ų8693 Ų9333%0.32546%0.463SS..Hα-helixtrans-80.1-36.6170.7-75.8165.9174.4164.64112.4E380 L381 D382 Q387 L388 Y536E380-R384 VanDerWaalsContact O-CD 3.27Å; E380-R384 WeakPolarHBondContact O-CD 3.21Å; E380-R384 WeakPolarHBondContact O-CG 3.42Å; E380-R384 PolarHBondContact O-N 2.83Å; E380-R384 IonicContact OE1-CZ 2.72Å; E380-R384 VanDerWaalsContact OE1-CZ 3.22Å; E380-R384 IonicContact OE1-NH1 2.71Å; E380-R384 PolarHBondContact OE1-NH1 3.4Å; E380-R384 IonicContact OE1-NH2 3.13Å; E380-R384 PolarHBondContact OE1-NH2 3.12Å; L381-R384 CarbonylContact O-C 3.57Å; L381-R384 WeakPolarHBondContact O-CA 3.28Å; L381-R384 WeakPolarHBondContact O-CB 3.29Å; L381-R384 PolarHBondContact O-N 3.19Å; L381-R384 VanDerWaalsContact O-N 3.07Å; D382-R384 PolarHBondContact O-N 2.91Å; D382-R384 VanDerWaalsContact O-N 3.15Å; R384-Q387 PolarHBondContact O-N 2.94Å; R384-L388 WeakPolarHBondContact O-CG 3.32Å; R384-L388 PolarHBondContact O-N 3.34Å; R384-Y536 VanDerWaalsContact CZ-OH 3.26Å; R384-Y536 PolarHBondContact NH1-OH 2.94Å; R384-Y536 PolarHBondContact NH2-OH 3.45Å; R384-Y536 VanDerWaalsContact NH2-OH 3.13Å
385I96.4Very high95.5Very high98 Ų9892.3 Ų92.350%0.50346%0.458SS..Hα-helixtrans-63.6-47.1174.2-69.4162.6000109.2L381 D382 Q387 L388 V389L381-I385 WeakPolarHBondContact O-CG1 3.32Å; L381-I385 PolarHBondContact O-N 3.3Å; D382-I385 WeakPolarHBondContact O-CA 3.32Å; D382-I385 WeakPolarHBondContact O-CB 3.47Å; D382-I385 PolarHBondContact O-N 2.91Å; I385-Q387 PolarHBondContact O-N 3.13Å; I385-L388 PolarHBondContact O-N 3.49Å; I385-L388 VanDerWaalsContact O-N 3.13Å; I385-V389 HydrophobicContact CG2-CG2 4.38Å; I385-V389 WeakPolarHBondContact O-CG2 3.34Å; I385-V389 PolarHBondContact O-N 3.22Å
386E97.1Very high94.8Very high141 Ų14195 Ų9566%0.65946%0.464SS*.Hα-helixtrans-56.4-46.1173.3-70.8-176165.200112.6D382 L388 V389 E390D382-E386 WeakPolarHBondContact O-CG 3.44Å; D382-E386 PolarHBondContact O-N 3.15Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 3.07Å; E386-V389 PolarHBondContact O-N 2.62Å; E386-E390 PolarHBondContact O-N 2.84Å
387Q96.1Very high94.1Very high135 Ų13594.2 Ų94.263%0.63147%0.467SS*.Hα-helixtrans-59.2-39.5175.9-78.4167.657.300112.4G383 R384 I385 L391G383-Q387 WeakPolarHBondContact O-CG 3.46Å; G383-Q387 PolarHBondContact O-N 3.33Å; G383-Q387 PolarHBondContact O-NE2 3.49Å; R384-Q387 PolarHBondContact O-N 2.94Å; I385-Q387 PolarHBondContact O-N 3.13Å; Q387-L391 WeakPolarHBondContact O-CB 3.47Å; Q387-L391 PolarHBondContact O-N 2.85Å
388L96.1Very high93.3Very high104 Ų10492.8 Ų92.855%0.54547%0.468SS..Hα-helixtrans-71.8-35.6175.7-70.9171.6000112.4R384 I385 E386 H392R384-L388 WeakPolarHBondContact O-CG 3.32Å; R384-L388 PolarHBondContact O-N 3.34Å; I385-L388 PolarHBondContact O-N 3.49Å; I385-L388 VanDerWaalsContact O-N 3.13Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 3.07Å; L388-H392 WeakPolarHBondContact O-CB 3.5Å; L388-H392 PolarHBondContact O-N 3.24Å
389V96.6Very high92.4Very high89 Ų8994.2 Ų94.254%0.53947%0.471SS..Hα-helixtrans-66.1-46.6175.1168.60000111I385 E386 H392 K393I385-V389 HydrophobicContact CG2-CG2 4.38Å; I385-V389 WeakPolarHBondContact O-CG2 3.34Å; I385-V389 PolarHBondContact O-N 3.22Å; E386-V389 PolarHBondContact O-N 2.62Å; V389-H392 WeakPolarHBondContact O-CB 3.36Å; V389-H392 PolarHBondContact O-N 2.9Å; V389-K393 WeakPolarHBondContact O-CB 3.38Å; V389-K393 PolarHBondContact O-N 3.28Å
390E95.9Very high91.1Very high93 Ų9392.3 Ų92.344%0.43546%0.462SS..Hα-helixtrans-70-36.9177.5-169.358-134.300111.7E386 H392 K393 H394E386-E390 PolarHBondContact O-N 2.84Å; E390-H392 VanDerWaalsContact C-N 3.3Å; E390-H392 PolarHBondContact O-N 2.94Å; E390-K393 PolarHBondContact O-N 3.49Å; E390-K393 VanDerWaalsContact OE1-CE 3.23Å; E390-K393 WeakPolarHBondContact OE1-CE 3.43Å; E390-K393 IonicContact OE1-NZ 2.74Å; E390-K393 PolarHBondContact OE1-NZ 2.66Å; E390-K393 WeakPolarHBondContact OE2-CD 3.34Å; E390-K393 WeakPolarHBondContact OE2-CE 3.45Å; E390-K393 IonicContact OE2-NZ 2.6Å; E390-K393 PolarHBondContact OE2-NZ 2.7Å; E390-H394 WeakPolarHBondContact O-CB 3.44Å; E390-H394 PolarHBondContact O-N 3.48Å
391L94.2Very high89.6Confident70 Ų70100.4 Ų100.437%0.36649%0.49SS..Hα-helixtrans-61.1-39.3170.7178.3146.5000111.6Q387 H394 I395Q387-L391 WeakPolarHBondContact O-CB 3.47Å; Q387-L391 PolarHBondContact O-N 2.85Å; L391-H394 PolarHBondContact O-N 3.04Å; L391-I395 HydrophobicContact CD2-CD1 3.6Å; L391-I395 HydrophobicContact CD2-CG1 4.49Å; L391-I395 HydrophobicContact CG-CD1 4.34Å; L391-I395 WeakPolarHBondContact O-CB 3.24Å; L391-I395 WeakPolarHBondContact O-CG1 3.41Å; L391-I395 PolarHBondContact O-N 3.37Å
392H91.1Very high88.3Confident91 Ų9199.6 Ų99.642%0.42149%0.489SS..Hα-helixtrans-68.5-40.6175.5-178.8-163.2000112L388 V389 E390 I395 R396L388-H392 WeakPolarHBondContact O-CB 3.5Å; L388-H392 PolarHBondContact O-N 3.24Å; V389-H392 WeakPolarHBondContact O-CB 3.36Å; V389-H392 PolarHBondContact O-N 2.9Å; E390-H392 VanDerWaalsContact C-N 3.3Å; E390-H392 PolarHBondContact O-N 2.94Å; H392-I395 PolarHBondContact O-N 2.87Å; H392-R396 PolarHBondContact CD2-NE 2.98Å; H392-R396 VanDerWaalsContact CE1-CZ 3.43Å; H392-R396 PolarHBondContact CE1-NE 2.86Å; H392-R396 PolarHBondContact CE1-NH2 3.43Å; H392-R396 PolarHBondContact NE2-NE 2.85Å; H392-R396 PolarHBondContact NE2-NH2 2.98Å; H392-R396 WeakPolarHBondContact O-CB 3.32Å; H392-R396 VanDerWaalsContact O-CG 3.31Å; H392-R396 WeakPolarHBondContact O-CG 3.45Å; H392-R396 PolarHBondContact O-N 2.88Å
393K93.4Very high87.3Confident120 Ų12098.8 Ų98.852%0.52249%0.487SS..Hα-helixtrans-61.6-42.3172.1177.6173.7144.1-153.80111.5V389 E390 R396 S397V389-K393 WeakPolarHBondContact O-CB 3.38Å; V389-K393 PolarHBondContact O-N 3.28Å; E390-K393 PolarHBondContact O-N 3.49Å; E390-K393 VanDerWaalsContact OE1-CE 3.23Å; E390-K393 WeakPolarHBondContact OE1-CE 3.43Å; E390-K393 IonicContact OE1-NZ 2.74Å; E390-K393 PolarHBondContact OE1-NZ 2.66Å; E390-K393 WeakPolarHBondContact OE2-CD 3.34Å; E390-K393 WeakPolarHBondContact OE2-CE 3.45Å; E390-K393 IonicContact OE2-NZ 2.6Å; E390-K393 PolarHBondContact OE2-NZ 2.7Å; K393-R396 WeakPolarHBondContact O-CB 3.43Å; K393-R396 PolarHBondContact O-N 3.33Å; K393-S397 PolarHBondContact O-N 3.4Å; K393-S397 PolarHBondContact O-OG 3.21Å
394H88.6Confident86.5Confident88 Ų88102.5 Ų102.541%0.40750%0.501SS..Hα-helixtrans-64.1-41.7172.9-174.383.7000112.6E390 L391 R396 S397 T398 F530E390-H394 WeakPolarHBondContact O-CB 3.44Å; E390-H394 PolarHBondContact O-N 3.48Å; L391-H394 PolarHBondContact O-N 3.04Å; H394-R396 VanDerWaalsContact C-N 3.3Å; H394-R396 PolarHBondContact O-N 2.97Å; H394-S397 PolarHBondContact O-N 3.11Å; H394-S397 PolarHBondContact O-OG 3.34Å; H394-T398 WeakPolarHBondContact O-CB 3.3Å; H394-T398 WeakPolarHBondContact O-CG2 3.38Å; H394-T398 PolarHBondContact O-N 2.86Å; H394-T398 PolarHBondContact O-OG1 2.92Å; H394-F530 AromaticContact CD2-CE1 3.98Å; H394-F530 AromaticContact CD2-CZ 3.65Å; H394-F530 AromaticContact NE2-CE1 3.99Å; H394-F530 AromaticContact NE2-CZ 3.7Å
395I86.3Confident85.3Confident69 Ų6999.4 Ų99.435%0.35449%0.494SS..Hα-helixtrans-64.7-34.5173.7-74173.1000111.5L391 H392 K399 F530L391-I395 HydrophobicContact CD2-CD1 3.6Å; L391-I395 HydrophobicContact CD2-CG1 4.49Å; L391-I395 HydrophobicContact CG-CD1 4.34Å; L391-I395 WeakPolarHBondContact O-CB 3.24Å; L391-I395 WeakPolarHBondContact O-CG1 3.41Å; L391-I395 PolarHBondContact O-N 3.37Å; H392-I395 PolarHBondContact O-N 2.87Å; I395-K399 PolarHBondContact O-N 3.46Å; I395-F530 HydrophobicContact CD1-CD2 4.26Å; I395-F530 HydrophobicContact CG1-CD2 3.98Å; I395-F530 HydrophobicContact CG1-CE2 3.99Å
396R84.4Confident83.7Confident171 Ų171103 Ų10365%0.64551%0.509SS*.Hα-helixtrans-69-46174.7-74.6170.9175.2-165.2-7112H392 K393 H394 K399H392-R396 PolarHBondContact CD2-NE 2.98Å; H392-R396 VanDerWaalsContact CE1-CZ 3.43Å; H392-R396 PolarHBondContact CE1-NE 2.86Å; H392-R396 PolarHBondContact CE1-NH2 3.43Å; H392-R396 PolarHBondContact NE2-NE 2.85Å; H392-R396 PolarHBondContact NE2-NH2 2.98Å; H392-R396 WeakPolarHBondContact O-CB 3.32Å; H392-R396 VanDerWaalsContact O-CG 3.31Å; H392-R396 WeakPolarHBondContact O-CG 3.45Å; H392-R396 PolarHBondContact O-N 2.88Å; K393-R396 WeakPolarHBondContact O-CB 3.43Å; K393-R396 PolarHBondContact O-N 3.33Å; H394-R396 VanDerWaalsContact C-N 3.3Å; H394-R396 PolarHBondContact O-N 2.97Å; R396-K399 VanDerWaalsContact O-CB 3.23Å; R396-K399 WeakPolarHBondContact O-CB 3.36Å; R396-K399 PolarHBondContact O-N 2.77Å
397S83.1Confident81.7Confident91 Ų9199.2 Ų99.264%0.63650%0.498SS*.Hα-helixtrans-71.8-35.1179.462.80000113K393 H394 K399K393-S397 PolarHBondContact O-N 3.4Å; K393-S397 PolarHBondContact O-OG 3.21Å; H394-S397 PolarHBondContact O-N 3.11Å; H394-S397 PolarHBondContact O-OG 3.34Å; S397-K399 PolarHBondContact O-N 3.43Å
398T79.6Confident79.8Confident58 Ų58100.4 Ų100.436%0.35650%0.504SS..THydrogen-bonded Turntrans-78.81.7173.859.90000114.2H394 G400H394-T398 WeakPolarHBondContact O-CB 3.3Å; H394-T398 WeakPolarHBondContact O-CG2 3.38Å; H394-T398 PolarHBondContact O-N 2.86Å; H394-T398 PolarHBondContact O-OG1 2.92Å; T398-G400 PolarHBondContact O-N 3.41Å
399K78.9Confident77.6Confident143 Ų143100.4 Ų100.462%0.62251%0.51SS*.  trans-72.771.1172.8-169.4-172.7172.8-172.90110.6I395 R396 S397I395-K399 PolarHBondContact O-N 3.46Å; R396-K399 VanDerWaalsContact O-CB 3.23Å; R396-K399 WeakPolarHBondContact O-CB 3.36Å; R396-K399 PolarHBondContact O-N 2.77Å; S397-K399 PolarHBondContact O-N 3.43Å
400G68.2Low75.8Confident28 Ų28100.9 Ų100.929%0.28951%0.509SS..  trans-53.2147.3-17900000113.6T398T398-G400 PolarHBondContact O-N 3.41Å
401R66.2Low74.2Confident233 Ų233101 Ų10188%0.87952%0.517SS*.  trans-52.7138-177.1-65.4-169.6-74-1303.4111.7
402V71.8Confident72.3Confident77 Ų77103 Ų10347%0.46753%0.528SS..  trans-104.2123.9172.7177.70000107.7L404 M521V402-L404 HydrophobicContact CG1-CD2 4.28Å; V402-M521 HydrophobicContact CG1-CG 4.16Å; V402-M521 HydrophobicContact CG1-SD 4.11Å
403V76.4Confident71.1Confident69 Ų69107.4 Ų107.442%0.41854%0.54SS..EExtended strand (participates in β ladder)trans-102.9109.5177.9-1750000108.4V522 S523V403-V522 HydrophobicContact CG1-CB 4.4Å; V403-V522 PolarHBondContact O-N 3.04Å; V403-S523 PolarHBondContact N-O 2.93Å; V403-S523 PolarHBondContact O-N 2.92Å
404L78.4Confident69.7Low98 Ų98105.8 Ų105.851%0.51354%0.535SS..EExtended strand (participates in β ladder)trans-80.5156168-58.8-178.9000109.8V402 M521V402-L404 HydrophobicContact CG1-CD2 4.28Å; L404-M521 HydrophobicContact CD2-CB 4.46Å
405A73.4Confident68.7Low21 Ų21105.2 Ų105.217%0.17453%0.534CS..PPolyproline II helixtrans-60.3147.216800000110.8R519 P520 V522A405-R519 WeakPolarHBondContact O-CD 3.31Å; A405-P520 HydrophobicContact CB-CG 3.84Å; A405-P520 WeakPolarHBondContact CB-O 3.21Å; A405-P520 PolarHBondContact N-O 3.45Å; A405-V522 HydrophobicContact CB-CG2 3.78Å
406Q62.3Low67.8Low173 Ų173107.7 Ų107.781%0.80854%0.544SS*.PPolyproline II helixtrans-57.4140.8164.8-67.4-178-6.400108.7Q408Q406-Q408 PolarHBondContact O-N 3.42Å; Q406-Q408 VanDerWaalsContact O-N 3.15Å
407S54.9Low66.9Low63 Ų63105.2 Ų105.244%0.44154%0.54SS..  trans-74.5102165.843.70000108.2P409 R519S407-P409 WeakPolarHBondContact O-CD 3.32Å; S407-R519 VanDerWaalsContact OG-CZ 3.23Å; S407-R519 PolarHBondContact OG-NH1 2.69Å; S407-R519 VanDerWaalsContact OG-NH1 3.15Å; S407-R519 PolarHBondContact OG-NH2 2.89Å; S407-R519 VanDerWaalsContact OG-NH2 3.13Å
408Q55.8Low66.1Low159 Ų159104.5 Ų104.574%0.74353%0.532SS*.  trans-65.3111.3142.8-128.577.221.700105.8Q406 L410Q406-Q408 PolarHBondContact O-N 3.42Å; Q406-Q408 VanDerWaalsContact O-N 3.15Å; Q408-L410 PolarHBondContact O-N 3.12Å
409P50.9Low65.4Low105 Ų105106.1 Ų106.168%0.68254%0.537SS*.PPolyproline II helixtrans-61133.7154.529.4-32.3000106.6S407 T411S407-P409 WeakPolarHBondContact O-CD 3.32Å; P409-T411 PolarHBondContact O-N 3.42Å
410L57.7Low64.7Low99 Ų99105 Ų10552%0.51854%0.536SS..PPolyproline II helixtrans-61.5129.1167.3-71.2172.5000107.1Q408 Q414 I415Q408-L410 PolarHBondContact O-N 3.12Å; L410-Q414 HydrophobicContact CB-CB 4.33Å; L410-Q414 HydrophobicContact CD2-CB 4.42Å; L410-I415 HydrophobicContact CB-CD1 4.27Å; L410-I415 HydrophobicContact CB-CG1 3.7Å; L410-I415 HydrophobicContact CD1-CG1 4.46Å
411T61.7Low64.6Low96 Ų96113.6 Ų113.659%0.58956%0.56SS**PPolyproline II helixtrans-59.5142174.5-50.70000107.9P409 R413 Q414 I415P409-T411 PolarHBondContact O-N 3.42Å; T411-R413 PolarHBondContact O-N 2.82Å; T411-Q414 WeakPolarHBondContact O-CA 3.18Å; T411-Q414 VanDerWaalsContact O-CB 3.28Å; T411-Q414 WeakPolarHBondContact O-CB 3.37Å; T411-Q414 PolarHBondContact O-N 2.95Å; T411-I415 PolarHBondContact O-N 3.47Å
412D56.1Low64.1Low111 Ų111109.6 Ų109.659%0.59455%0.551SS**Hα-helixtrans-53.9-35.5-169.2-155.930.9000113.4Q414 I415 Q416D412-Q414 VanDerWaalsContact C-N 3.32Å; D412-Q414 PolarHBondContact O-N 2.7Å; D412-I415 WeakPolarHBondContact O-CB 3.44Å; D412-I415 PolarHBondContact O-N 2.63Å; D412-I415 VanDerWaalsContact O-N 3.08Å; D412-Q416 PolarHBondContact O-N 3.13Å
413R64.5Low63.3Low183 Ų183112.7 Ų112.769%0.69156%0.562SS**Hα-helixtrans-57.7-35.6171.4-166.9177.4-172.3-179.74114.3T411 Q417T411-R413 PolarHBondContact O-N 2.82Å; R413-Q417 WeakPolarHBondContact O-CB 3.14Å; R413-Q417 VanDerWaalsContact O-CG 3.24Å; R413-Q417 WeakPolarHBondContact O-CG 3.4Å; R413-Q417 PolarHBondContact O-N 3.08Å
414Q64.4Low62.3Low87 Ų87112.8 Ų112.841%0.40757%0.57SS.*Hα-helixtrans-73.6-35.9174.5-61.9176.4-45.600111.4L410 T411 D412 Q417 T418L410-Q414 HydrophobicContact CB-CB 4.33Å; L410-Q414 HydrophobicContact CD2-CB 4.42Å; T411-Q414 WeakPolarHBondContact O-CA 3.18Å; T411-Q414 VanDerWaalsContact O-CB 3.28Å; T411-Q414 WeakPolarHBondContact O-CB 3.37Å; T411-Q414 PolarHBondContact O-N 2.95Å; D412-Q414 VanDerWaalsContact C-N 3.32Å; D412-Q414 PolarHBondContact O-N 2.7Å; Q414-Q417 PolarHBondContact O-N 2.97Å; Q414-T418 WeakPolarHBondContact O-CB 3.1Å; Q414-T418 PolarHBondContact O-N 3.48Å; Q414-T418 PolarHBondContact O-OG1 2.84Å
415I68.5Low60.9Low76 Ų76110.9 Ų110.939%0.3957%0.574SS.*Hα-helixtrans-63-49.4174-58.8176000109.1L410 T411 D412 Q417 T418 L419L410-I415 HydrophobicContact CB-CD1 4.27Å; L410-I415 HydrophobicContact CB-CG1 3.7Å; L410-I415 HydrophobicContact CD1-CG1 4.46Å; T411-I415 PolarHBondContact O-N 3.47Å; D412-I415 WeakPolarHBondContact O-CB 3.44Å; D412-I415 PolarHBondContact O-N 2.63Å; D412-I415 VanDerWaalsContact O-N 3.08Å; I415-Q417 PolarHBondContact O-N 3.36Å; I415-T418 PolarHBondContact O-N 3.45Å; I415-L419 WeakPolarHBondContact O-CB 3.35Å; I415-L419 PolarHBondContact O-N 3.49Å
416Q66.2Low59.9Low120 Ų120118.2 Ų118.256%0.56161%0.61SS**Hα-helixtrans-57.2-44.2173.9-71178.9-25.600112.7D412 L419 M420D412-Q416 PolarHBondContact O-N 3.13Å; Q416-L419 PolarHBondContact O-N 3.32Å; Q416-M420 VanDerWaalsContact O-CB 3.26Å; Q416-M420 WeakPolarHBondContact O-CB 3.45Å; Q416-M420 WeakPolarHBondContact O-CG 3.39Å; Q416-M420 PolarHBondContact O-N 2.89Å
417Q66.3Low59Low120 Ų120115.2 Ų115.256%0.56161%0.608SS**Hα-helixtrans-64.9-38.2177.2-79.3174.4-21.500113.2R413 Q414 I415 R421R413-Q417 WeakPolarHBondContact O-CB 3.14Å; R413-Q417 VanDerWaalsContact O-CG 3.24Å; R413-Q417 WeakPolarHBondContact O-CG 3.4Å; R413-Q417 PolarHBondContact O-N 3.08Å; Q414-Q417 PolarHBondContact O-N 2.97Å; I415-Q417 PolarHBondContact O-N 3.36Å; Q417-R421 WeakPolarHBondContact O-CB 3.38Å; Q417-R421 PolarHBondContact O-N 3.3Å
418T66.9Low58Low76 Ų76118.4 Ų118.447%0.46663%0.628SS.*Hα-helixtrans-68.8-44.1175.7-60.40000111.2Q414 I415 R421 E422Q414-T418 WeakPolarHBondContact O-CB 3.1Å; Q414-T418 PolarHBondContact O-N 3.48Å; Q414-T418 PolarHBondContact O-OG1 2.84Å; I415-T418 PolarHBondContact O-N 3.45Å; T418-R421 CarbonylContact O-C 3.58Å; T418-R421 WeakPolarHBondContact O-CA 3.36Å; T418-R421 WeakPolarHBondContact O-CB 3.42Å; T418-R421 PolarHBondContact O-N 3.1Å; T418-R421 VanDerWaalsContact O-N 3.1Å; T418-E422 PolarHBondContact O-N 3.19Å
419L64.6Low57.1Low91 Ų91116.7 Ų116.748%0.47663%0.629SS.*Hα-helixtrans-65.8-39.7179-149.4167.3000111.1I415 Q416 R421 E422 M423I415-L419 WeakPolarHBondContact O-CB 3.35Å; I415-L419 PolarHBondContact O-N 3.49Å; Q416-L419 PolarHBondContact O-N 3.32Å; L419-R421 VanDerWaalsContact C-N 3.33Å; L419-R421 PolarHBondContact O-N 3.44Å; L419-E422 PolarHBondContact O-N 3.02Å; L419-M423 HydrophobicContact CD2-CG 4.08Å; L419-M423 HydrophobicContact CD2-SD 3.68Å; L419-M423 WeakPolarHBondContact O-CB 3.16Å; L419-M423 WeakPolarHBondContact O-CG 3.46Å; L419-M423 PolarHBondContact O-N 2.91Å
420M63.9Low56.6Low121 Ų121117.1 Ų117.160%0.59664%0.641SS**Hα-helixtrans-63.5-35.5170.5-76.1-101.657.200112.8Q416 A424Q416-M420 VanDerWaalsContact O-CB 3.26Å; Q416-M420 WeakPolarHBondContact O-CB 3.45Å; Q416-M420 WeakPolarHBondContact O-CG 3.39Å; Q416-M420 PolarHBondContact O-N 2.89Å; M420-A424 WeakPolarHBondContact O-CB 3.49Å; M420-A424 PolarHBondContact O-N 2.93Å
421R65.8Low56Low207 Ų207117.7 Ų117.778%0.78165%0.654SS**Hα-helixtrans-71-37.1174.9178.4174.4-77.8-149.8-5.2112.4Q417 T418 L419 A424Q417-R421 WeakPolarHBondContact O-CB 3.38Å; Q417-R421 PolarHBondContact O-N 3.3Å; T418-R421 CarbonylContact O-C 3.58Å; T418-R421 WeakPolarHBondContact O-CA 3.36Å; T418-R421 WeakPolarHBondContact O-CB 3.42Å; T418-R421 PolarHBondContact O-N 3.1Å; T418-R421 VanDerWaalsContact O-N 3.1Å; L419-R421 VanDerWaalsContact C-N 3.33Å; L419-R421 PolarHBondContact O-N 3.44Å; R421-A424 PolarHBondContact O-N 3.24Å
422E55.3Low55.1Low150 Ų150119.3 Ų119.370%0.70166%0.659SS**Hα-helixtrans-64.5-46170.7-76.4-174.6116.100111.3T418 L419 A424 G425T418-E422 PolarHBondContact O-N 3.19Å; L419-E422 PolarHBondContact O-N 3.02Å; E422-A424 VanDerWaalsContact C-N 3.25Å; E422-A424 PolarHBondContact O-N 3.14Å; E422-G425 PolarHBondContact O-N 3.17Å
423M55.3Low54.5Low142 Ų142117.6 Ų117.670%0.766%0.66SS**Hα-helixtrans-65.9-24.3178.3-74.3-178.863.200113.9L419 G425L419-M423 HydrophobicContact CD2-CG 4.08Å; L419-M423 HydrophobicContact CD2-SD 3.68Å; L419-M423 WeakPolarHBondContact O-CB 3.16Å; L419-M423 WeakPolarHBondContact O-CG 3.46Å; L419-M423 PolarHBondContact O-N 2.91Å; M423-G425 PolarHBondContact O-N 3.32Å
424A55.6Low53.6Low71 Ų71114.5 Ų114.559%0.58766%0.657SS**THydrogen-bonded Turntrans-79.60.6173.100000113.9M420 R421 E422 L426M420-A424 WeakPolarHBondContact O-CB 3.49Å; M420-A424 PolarHBondContact O-N 2.93Å; R421-A424 PolarHBondContact O-N 3.24Å; E422-A424 VanDerWaalsContact C-N 3.25Å; E422-A424 PolarHBondContact O-N 3.14Å; A424-L426 PolarHBondContact O-N 3.18Å
425G49Very low53.3Low58 Ų58113.7 Ų113.760%0.59867%0.665SS**  trans-70.131.7-170.900000117.8E422 M423E422-G425 PolarHBondContact O-N 3.17Å; M423-G425 PolarHBondContact O-N 3.32Å
426L51.8Low52.6Low175 Ų175116 Ų11692%0.91667%0.674SS**SBendtrans-130.136.3175.3-75.3179.2000113.7A424A424-L426 PolarHBondContact O-N 3.18Å
427S43.8Very low52Low109 Ų109115.5 Ų115.576%0.76268%0.681SS**  trans-155.5101.5157.8-1720000111.8
428C33.5Very low51.3Low130 Ų130115.1 Ų115.188%0.87869%0.691SS**  trans-162.5131.1151.1-118.50000110.5
429T38Very low51.4Low123 Ų123111.9 Ų111.976%0.75567%0.671SS**  trans-43.3136.3-17947.40000116.2S431T429-S431 PolarHBondContact O-N 2.89Å; T429-S431 VanDerWaalsContact O-N 3.1Å
430A39.3Very low51.5Low114 Ų114112 Ų11294%0.94268%0.677SS**SBendtrans-7199.6172.300000112.1
431S45.4Very low51.8Low111 Ų111110.5 Ų110.578%0.77668%0.675SS**SBendtrans-153.2-9.8165.163.50000116.6T429T429-S431 PolarHBondContact O-N 2.89Å; T429-S431 VanDerWaalsContact O-N 3.1Å
432D42.3Very low52.1Low131 Ų131106.1 Ų106.170%0.70166%0.659SS**  trans-137.853-172.7-162.28.3000113.5
433A44.7Very low53.1Low75 Ų75104.3 Ų104.362%0.6265%0.653SS**  trans-92.4-6.3-179.100000114.4
434D44.6Very low54.3Low118 Ų118103.1 Ų103.163%0.63165%0.649SS**SBendtrans-90.1-11.4-175.5-73.2-46.7000113.8E436 R442D434-E436 VanDerWaalsContact C-N 3.33Å; D434-E436 PolarHBondContact O-N 3.21Å; D434-R442 PolarHBondContact O-NH1 3.41Å
435A58.4Low55.2Low69 Ų69105.3 Ų105.357%0.5764%0.643SS**SBendtrans-70.1-24.317900000113.7R442A435-R442 PolarHBondContact O-NH1 2.97Å
436E54.4Low56.6Low125 Ų125106.2 Ų106.258%0.58463%0.634SS**  trans-66.8139.8-175.4-69.5-155.4143.500113.3D434 C438 R442D434-E436 VanDerWaalsContact C-N 3.33Å; D434-E436 PolarHBondContact O-N 3.21Å; E436-C438 PolarHBondContact O-N 3.2Å; E436-R442 WeakPolarHBondContact O-CD 3.45Å; E436-R442 PolarHBondContact O-NH1 3.23Å
437P52.6Low58.2Low109 Ų109102.1 Ų102.171%0.70861%0.612SS**THydrogen-bonded Turntrans-75.8-9.7-178.831.3-36.3000113.9
438C53.2Low60.2Low112 Ų112102.6 Ų102.676%0.75760%0.602SS**THydrogen-bonded Turntrans-13218.3-175.5-67.30000114.1E436E436-C438 PolarHBondContact O-N 3.2Å
439S67.2Low62.5Low8 Ų8103.2 Ų103.26%0.05659%0.586CS.*  trans-62.1139175.172.60000110.7T441 R442 L443S439-T441 PolarHBondContact O-N 3.02Å; S439-R442 PolarHBondContact O-N 3.2Å; S439-R442 VanDerWaalsContact OG-CB 3.27Å; S439-R442 WeakPolarHBondContact OG-CB 3.47Å; S439-R442 PolarHBondContact OG-N 3.45Å; S439-L443 PolarHBondContact O-N 2.63Å; S439-L443 VanDerWaalsContact O-N 3.09Å
440P67.4Low64.6Low93 Ų93102.8 Ų102.860%0.60458%0.576SS**Hα-helixtrans-63.1-31.2-17724.4-33.4000111.9R442 L443 L444P440-R442 PolarHBondContact O-N 3.04Å; P440-L443 WeakPolarHBondContact O-CB 3.41Å; P440-L443 PolarHBondContact O-N 3.04Å; P440-L444 WeakPolarHBondContact O-CG 3.38Å; P440-L444 PolarHBondContact O-N 2.79Å
441T70.2Confident66.6Low91 Ų91100 Ų10056%0.55855%0.55SS*.Hα-helixtrans-57.5-46.1172.3-250000111.5S439 L444 Y445S439-T441 PolarHBondContact O-N 3.02Å; T441-L444 PolarHBondContact O-N 2.8Å; T441-Y445 PolarHBondContact O-N 2.8Å
442R72.9Confident68.1Low115 Ų11597.3 Ų97.343%0.43453%0.534SS..Hα-helixtrans-72.8-29.9-179.9-167173.3-172.1163.63.9112.7D434 A435 E436 S439 P440 N446D434-R442 PolarHBondContact O-NH1 3.41Å; A435-R442 PolarHBondContact O-NH1 2.97Å; E436-R442 WeakPolarHBondContact O-CD 3.45Å; E436-R442 PolarHBondContact O-NH1 3.23Å; S439-R442 PolarHBondContact O-N 3.2Å; S439-R442 VanDerWaalsContact OG-CB 3.27Å; S439-R442 WeakPolarHBondContact OG-CB 3.47Å; S439-R442 PolarHBondContact OG-N 3.45Å; P440-R442 PolarHBondContact O-N 3.04Å; R442-N446 PolarHBondContact O-N 3.05Å; R442-N446 VanDerWaalsContact O-N 3.1Å; R442-N446 PolarHBondContact O-ND2 3.31Å
443L76.3Confident69.7Low112 Ų11296.6 Ų96.659%0.58653%0.526SS*.Hα-helixtrans-63.5-49.4168.9-177.771.7000110.8S439 P440 Y445 N446 I447S439-L443 PolarHBondContact O-N 2.63Å; S439-L443 VanDerWaalsContact O-N 3.09Å; P440-L443 WeakPolarHBondContact O-CB 3.41Å; P440-L443 PolarHBondContact O-N 3.04Å; L443-Y445 PolarHBondContact O-N 3.24Å; L443-N446 PolarHBondContact O-N 3.39Å; L443-I447 HydrophobicContact CD1-CD1 4.44Å; L443-I447 HydrophobicContact CG-CD1 3.99Å; L443-I447 WeakPolarHBondContact O-CG1 3.42Å; L443-I447 PolarHBondContact O-N 3.45Å
444L80.5Confident71.2Confident116 Ų11698.2 Ų98.261%0.60752%0.524SS*.Hα-helixtrans-60.4-44.2178.1-70.3169.6000111.6P440 T441 N446 I447 E448P440-L444 WeakPolarHBondContact O-CG 3.38Å; P440-L444 PolarHBondContact O-N 2.79Å; T441-L444 PolarHBondContact O-N 2.8Å; L444-N446 VanDerWaalsContact C-N 3.31Å; L444-N446 PolarHBondContact O-N 3.11Å; L444-I447 PolarHBondContact O-N 3.2Å; L444-I447 VanDerWaalsContact O-N 3.15Å; L444-E448 WeakPolarHBondContact O-CB 3.45Å; L444-E448 PolarHBondContact O-N 2.75Å
445Y73.8Confident72.8Confident117 Ų11795.6 Ų95.646%0.45952%0.515SS..Hα-helixtrans-60.9-36.3175.4-171.1-99.3000113.2T441 L443 R449T441-Y445 PolarHBondContact O-N 2.8Å; L443-Y445 PolarHBondContact O-N 3.24Å; Y445-R449 HydrophobicContact CD1-CG 4.16Å; Y445-R449 HydrophobicContact CE1-CG 3.84Å; Y445-R449 WeakPolarHBondContact O-CB 3.32Å; Y445-R449 VanDerWaalsContact O-CG 3.3Å; Y445-R449 WeakPolarHBondContact O-CG 3.4Å; Y445-R449 PolarHBondContact O-N 2.61Å; Y445-R449 PolarHBondContact OH-NE 3.41Å; Y445-R449 VanDerWaalsContact OH-NE 3.16Å; Y445-R449 PolarHBondContact OH-NH2 3.35Å
446N78.8Confident73.6Confident78 Ų7899.1 Ų99.142%0.41752%0.52SS..Hα-helixtrans-70.2-39.3174-85.8-86.1000112.1R442 L443 L444 E448 R449 Q450R442-N446 PolarHBondContact O-N 3.05Å; R442-N446 VanDerWaalsContact O-N 3.1Å; R442-N446 PolarHBondContact O-ND2 3.31Å; L443-N446 PolarHBondContact O-N 3.39Å; L444-N446 VanDerWaalsContact C-N 3.31Å; L444-N446 PolarHBondContact O-N 3.11Å; N446-E448 VanDerWaalsContact C-N 3.33Å; N446-R449 PolarHBondContact O-N 2.99Å; N446-Q450 WeakPolarHBondContact O-CB 3.37Å; N446-Q450 VanDerWaalsContact O-CG 3.3Å; N446-Q450 WeakPolarHBondContact O-CG 3.32Å; N446-Q450 PolarHBondContact O-N 2.75Å
447I84Confident74.7Confident89 Ų8997.4 Ų97.446%0.45651%0.513SS..Hα-helixtrans-64.4-40.2174.8-67.9166.3000110.5L443 L444 Q450 S451L443-I447 HydrophobicContact CD1-CD1 4.44Å; L443-I447 HydrophobicContact CG-CD1 3.99Å; L443-I447 WeakPolarHBondContact O-CG1 3.42Å; L443-I447 PolarHBondContact O-N 3.45Å; L444-I447 PolarHBondContact O-N 3.2Å; L444-I447 VanDerWaalsContact O-N 3.15Å; I447-Q450 PolarHBondContact O-N 2.8Å; I447-S451 VanDerWaalsContact O-CB 3.3Å; I447-S451 WeakPolarHBondContact O-CB 3.25Å; I447-S451 PolarHBondContact O-N 3.17Å; I447-S451 PolarHBondContact O-OG 2.8Å
448E86.5Confident75.8Confident118 Ų11896.1 Ų96.155%0.55150%0.503SS*.Hα-helixtrans-64.4-46.3174.3-176.9177.8-153.900112L444 N446 Q450 S451 A452L444-E448 WeakPolarHBondContact O-CB 3.45Å; L444-E448 PolarHBondContact O-N 2.75Å; N446-E448 VanDerWaalsContact C-N 3.33Å; E448-Q450 VanDerWaalsContact C-N 3.33Å; E448-Q450 PolarHBondContact O-N 3.48Å; E448-S451 PolarHBondContact O-N 3.28Å; E448-S451 PolarHBondContact O-OG 3.41Å; E448-S451 VanDerWaalsContact O-OG 3.09Å; E448-A452 VanDerWaalsContact O-CB 3.24Å; E448-A452 WeakPolarHBondContact O-CB 3.32Å; E448-A452 PolarHBondContact O-N 3.3Å
449R82.8Confident76.8Confident143 Ų14396.3 Ų96.354%0.5450%0.497SS..Hα-helixtrans-59.4-42.3173.8-77.7-71.4-169.6161.52.3112.3Y445 N446 Q453Y445-R449 HydrophobicContact CD1-CG 4.16Å; Y445-R449 HydrophobicContact CE1-CG 3.84Å; Y445-R449 WeakPolarHBondContact O-CB 3.32Å; Y445-R449 VanDerWaalsContact O-CG 3.3Å; Y445-R449 WeakPolarHBondContact O-CG 3.4Å; Y445-R449 PolarHBondContact O-N 2.61Å; Y445-R449 PolarHBondContact OH-NE 3.41Å; Y445-R449 VanDerWaalsContact OH-NE 3.16Å; Y445-R449 PolarHBondContact OH-NH2 3.35Å; N446-R449 PolarHBondContact O-N 2.99Å; R449-Q453 WeakPolarHBondContact O-CB 3.49Å; R449-Q453 WeakPolarHBondContact O-CG 3.27Å; R449-Q453 PolarHBondContact O-N 2.9Å
450Q81.4Confident76.7Confident115 Ų11599.8 Ų99.854%0.53752%0.522SS..Hα-helixtrans-71.6-38.4178.2-72.1177.48.500112.4N446 I447 E448 Q453 L454N446-Q450 WeakPolarHBondContact O-CB 3.37Å; N446-Q450 VanDerWaalsContact O-CG 3.3Å; N446-Q450 WeakPolarHBondContact O-CG 3.32Å; N446-Q450 PolarHBondContact O-N 2.75Å; I447-Q450 PolarHBondContact O-N 2.8Å; E448-Q450 VanDerWaalsContact C-N 3.33Å; E448-Q450 PolarHBondContact O-N 3.48Å; Q450-Q453 PolarHBondContact O-N 2.91Å; Q450-L454 WeakPolarHBondContact O-CB 3.48Å; Q450-L454 VanDerWaalsContact O-CG 3.3Å; Q450-L454 WeakPolarHBondContact O-CG 3.22Å; Q450-L454 PolarHBondContact O-N 3.47Å
451S80.4Confident76.5Confident56 Ų56101.5 Ų101.539%0.39253%0.525SS..Hα-helixtrans-71-35.1177.172.30000111.9I447 E448 L454 S455I447-S451 VanDerWaalsContact O-CB 3.3Å; I447-S451 WeakPolarHBondContact O-CB 3.25Å; I447-S451 PolarHBondContact O-N 3.17Å; I447-S451 PolarHBondContact O-OG 2.8Å; E448-S451 PolarHBondContact O-N 3.28Å; E448-S451 PolarHBondContact O-OG 3.41Å; E448-S451 VanDerWaalsContact O-OG 3.09Å; S451-L454 PolarHBondContact O-N 3.25Å; S451-S455 VanDerWaalsContact O-CB 3.29Å; S451-S455 WeakPolarHBondContact O-CB 3.19Å; S451-S455 PolarHBondContact O-N 3.5Å; S451-S455 PolarHBondContact O-OG 3.42Å
452A77.4Confident75.9Confident54 Ų54103.3 Ų103.345%0.44653%0.528SS..Hα-helixtrans-63.8-45.8170.800000111.6E448 S455 Q456E448-A452 VanDerWaalsContact O-CB 3.24Å; E448-A452 WeakPolarHBondContact O-CB 3.32Å; E448-A452 PolarHBondContact O-N 3.3Å; A452-S455 PolarHBondContact O-N 2.98Å; A452-Q456 WeakPolarHBondContact O-CB 3.41Å; A452-Q456 PolarHBondContact O-N 2.93Å
453Q76.7Confident74.7Confident115 Ų115104.1 Ų104.154%0.53754%0.541SS..Hα-helixtrans-62.2-43.8174.7-76.9176.8-19.400112.3R449 Q450 S455 Q456 I457R449-Q453 WeakPolarHBondContact O-CB 3.49Å; R449-Q453 WeakPolarHBondContact O-CG 3.27Å; R449-Q453 PolarHBondContact O-N 2.9Å; Q450-Q453 PolarHBondContact O-N 2.91Å; Q453-S455 VanDerWaalsContact C-N 3.33Å; Q453-S455 PolarHBondContact O-N 2.89Å; Q453-Q456 PolarHBondContact O-N 2.96Å; Q453-I457 VanDerWaalsContact O-CG1 3.29Å; Q453-I457 WeakPolarHBondContact O-CG1 3.46Å; Q453-I457 PolarHBondContact O-N 3.33Å
454L75.3Confident73.2Confident110 Ų110104.1 Ų104.158%0.57655%0.548SS*.Hα-helixtrans-63.7-38.3174.5-74.2169.5000112Q450 S451 I457 V458Q450-L454 WeakPolarHBondContact O-CB 3.48Å; Q450-L454 VanDerWaalsContact O-CG 3.3Å; Q450-L454 WeakPolarHBondContact O-CG 3.22Å; Q450-L454 PolarHBondContact O-N 3.47Å; S451-L454 PolarHBondContact O-N 3.25Å; L454-I457 PolarHBondContact O-N 3.04Å; L454-V458 WeakPolarHBondContact O-CB 3.41Å; L454-V458 VanDerWaalsContact O-CG2 3.32Å; L454-V458 WeakPolarHBondContact O-CG2 3.29Å; L454-V458 PolarHBondContact O-N 3.03Å
455S79.5Confident71.1Confident63 Ų63106.9 Ų106.944%0.44156%0.562SS.*Hα-helixtrans-66-40175.4-58.40000111.6S451 A452 Q453 V458 N459S451-S455 VanDerWaalsContact O-CB 3.29Å; S451-S455 WeakPolarHBondContact O-CB 3.19Å; S451-S455 PolarHBondContact O-N 3.5Å; S451-S455 PolarHBondContact O-OG 3.42Å; A452-S455 PolarHBondContact O-N 2.98Å; Q453-S455 VanDerWaalsContact C-N 3.33Å; Q453-S455 PolarHBondContact O-N 2.89Å; S455-V458 PolarHBondContact O-N 3.32Å; S455-N459 VanDerWaalsContact O-CB 3.28Å; S455-N459 WeakPolarHBondContact O-CB 3.21Å; S455-N459 PolarHBondContact O-N 3.12Å; S455-N459 PolarHBondContact O-ND2 2.96Å
456Q74.3Confident69.4Low143 Ų143105.9 Ų105.967%0.66857%0.572SS**Hα-helixtrans-64.3-40.8174-169177.213.600111.6A452 Q453 S460A452-Q456 WeakPolarHBondContact O-CB 3.41Å; A452-Q456 PolarHBondContact O-N 2.93Å; Q453-Q456 PolarHBondContact O-N 2.96Å; Q456-S460 WeakPolarHBondContact O-CB 3.17Å; Q456-S460 PolarHBondContact O-N 2.87Å; Q456-S460 PolarHBondContact O-OG 3Å
457I78.4Confident67.2Low88 Ų88112 Ų11245%0.45160%0.595SS.*Hα-helixtrans-64.1-49.1174.3-69.2163.4000110.6Q453 L454 N459 S460 L461Q453-I457 VanDerWaalsContact O-CG1 3.29Å; Q453-I457 WeakPolarHBondContact O-CG1 3.46Å; Q453-I457 PolarHBondContact O-N 3.33Å; L454-I457 PolarHBondContact O-N 3.04Å; I457-N459 VanDerWaalsContact C-N 3.35Å; I457-N459 PolarHBondContact O-N 3.41Å; I457-S460 WeakPolarHBondContact CA-OG 3.5Å; I457-S460 PolarHBondContact O-N 2.95Å; I457-S460 VanDerWaalsContact O-N 3.11Å; I457-S460 PolarHBondContact O-OG 3.15Å; I457-L461 HydrophobicContact CG2-CD1 3.9Å; I457-L461 HydrophobicContact CG2-CG 4.49Å; I457-L461 WeakPolarHBondContact O-CG 3.47Å; I457-L461 PolarHBondContact O-N 3.46Å
458V75.7Confident64.7Low82 Ų82112.9 Ų112.950%0.49761%0.61SS.*Hα-helixtrans-59.5-44.6177.4168.70000111.1L454 S455 S460 L461 M462L454-V458 WeakPolarHBondContact O-CB 3.41Å; L454-V458 VanDerWaalsContact O-CG2 3.32Å; L454-V458 WeakPolarHBondContact O-CG2 3.29Å; L454-V458 PolarHBondContact O-N 3.03Å; S455-V458 PolarHBondContact O-N 3.32Å; V458-S460 VanDerWaalsContact C-N 3.3Å; V458-S460 PolarHBondContact O-N 3.1Å; V458-L461 PolarHBondContact O-N 3.4Å; V458-L461 VanDerWaalsContact O-N 3.15Å; V458-M462 WeakPolarHBondContact O-CG 3.4Å; V458-M462 PolarHBondContact O-N 2.93Å
459N72.6Confident62.4Low116 Ų116113.2 Ų113.262%0.6262%0.622SS**Hα-helixtrans-65.7-31176.3-69.1-11.3000112.5S455 I457S455-N459 VanDerWaalsContact O-CB 3.28Å; S455-N459 WeakPolarHBondContact O-CB 3.21Å; S455-N459 PolarHBondContact O-N 3.12Å; S455-N459 PolarHBondContact O-ND2 2.96Å; I457-N459 VanDerWaalsContact C-N 3.35Å; I457-N459 PolarHBondContact O-N 3.41Å
460S66.5Low60.2Low82 Ų82114.6 Ų114.657%0.57364%0.639SS**Hα-helixtrans-74.2-25.1173.2760000114Q456 I457 V458Q456-S460 WeakPolarHBondContact O-CB 3.17Å; Q456-S460 PolarHBondContact O-N 2.87Å; Q456-S460 PolarHBondContact O-OG 3Å; I457-S460 WeakPolarHBondContact CA-OG 3.5Å; I457-S460 PolarHBondContact O-N 2.95Å; I457-S460 VanDerWaalsContact O-N 3.11Å; I457-S460 PolarHBondContact O-OG 3.15Å; V458-S460 VanDerWaalsContact C-N 3.3Å; V458-S460 PolarHBondContact O-N 3.1Å
461L62.2Low57.9Low129 Ų129113.6 Ų113.668%0.67565%0.645SS**Hα-helixtrans-84.7-20.3175.2-68170000112.1I457 V458 L463I457-L461 HydrophobicContact CG2-CD1 3.9Å; I457-L461 HydrophobicContact CG2-CG 4.49Å; I457-L461 WeakPolarHBondContact O-CG 3.47Å; I457-L461 PolarHBondContact O-N 3.46Å; V458-L461 PolarHBondContact O-N 3.4Å; V458-L461 VanDerWaalsContact O-N 3.15Å; L461-L463 PolarHBondContact O-N 3.11Å
462M56.8Low55.7Low128 Ų128120.5 Ų120.563%0.63167%0.668SS**SBendtrans-83.582.1170.7-71.1-65.5-63.300110.6V458V458-M462 WeakPolarHBondContact O-CG 3.4Å; V458-M462 PolarHBondContact O-N 2.93Å
463L48.8Very low53.6Low132 Ų132126.8 Ų126.869%0.69169%0.688SS**  trans-57.5139169.2-88.671.7000110.4L461 L465L461-L463 PolarHBondContact O-N 3.11Å; L463-L465 PolarHBondContact O-N 2.78Å
464P43.8Very low51.1Low113 Ų113126.9 Ų126.973%0.73470%0.701SS**  trans-61.3120.7178.6-23.634000112.3S466P464-S466 VanDerWaalsContact C-N 3.3Å; P464-S466 PolarHBondContact O-N 3.28Å
465L37.1Very low48.9Very low174 Ų174126.2 Ų126.291%0.91171%0.706SS**  trans-81.673.2175.9-69.4177.4000111.1L463L463-L465 PolarHBondContact O-N 2.78Å
466S37.7Very low46.7Very low96 Ų96131.2 Ų131.267%0.67172%0.719SS**  trans-151.889.8173.261.90000113.6P464P464-S466 VanDerWaalsContact C-N 3.3Å; P464-S466 PolarHBondContact O-N 3.28Å
467F34Very low44.4Very low205 Ų205130.9 Ų130.990%0.89972%0.718SS**  trans-98.6137.5146.6-58.8-81.7000105.3
468S30.9Very low42.3Very low109 Ų109137.3 Ų137.376%0.76274%0.737SS**  cis-154.4-164.514.8-52.60000107.7
469P38.7Very low40Very low124 Ų124137.1 Ų137.181%0.80575%0.751SS**  cis-130-173.1-12.941-23.5000114.3
470L36.4Very low38Very low173 Ų173136.2 Ų136.291%0.90675%0.75SS**  trans-58.8130.2175.2176.271.8000114.7
471S31.6Very low36.3Very low93 Ų93141 Ų14165%0.6576%0.761SS**  trans-165.9117.2160-176.70000115
472K34.4Very low34.7Very low202 Ų202140.5 Ų140.588%0.87876%0.763SS**  trans71.4148.8154.6-64.9173.8-177.6-179.40121.1
473Q34.6Very low33.4Very low186 Ų186139.2 Ų139.287%0.86977%0.767SS**  trans-97.9-170.4178.6-64.3168.2-91.700112
474S24.5Very low32.5Very low116 Ų116139.4 Ų139.481%0.81177%0.774SS**  trans88.814116776.80000116.3
475S28Very low32.4Very low97 Ų97140 Ų14068%0.67878%0.778SS**  cis-171.5159.4-16.249.90000111.7
476K32.7Very low32Very low167 Ų167135.6 Ų135.673%0.72677%0.774SS**  trans66.4160.7161.8-71.7166.5157.5-113.20116.1
477E26.7Very low31.6Very low136 Ų136134.3 Ų134.364%0.63678%0.776SS**  cis-144.4127.7-10.9-127.5141.7-171.200109.1
478R33.8Very low31.4Very low224 Ų224132.3 Ų132.385%0.84578%0.775SS**  57.6116.4106.1-169.3178.7-75.5-148.6-2.5116.7
479G27.4Very low31.3Very low78 Ų78134.2 Ų134.280%0.80478%0.776SS**  trans-156.691.8163.300000111.2
480T32.1Very low30.9Very low97 Ų97134 Ų13460%0.59577%0.773SS**  trans-69.7157175.2-11.30000109.6
481F29.4Very low30.6Very low182 Ų182134.9 Ų134.980%0.79877%0.769SS**  cis-160172.945.1-63.4-89.1000109.5
482T30Very low30.6Very low119 Ų119138.3 Ų138.373%0.7378%0.78SS**  cis-154.314811.4-20.30000112.1
483S28.1Very low30.3Very low101 Ų101135 Ų13571%0.70678%0.777SS**  trans38.8112.7148.8590000123.5
484T30.4Very low29.9Very low136 Ų136130.2 Ų130.283%0.83478%0.777SS**  trans-46.4-177.7136.824.10000115.1
485P42.6Very low30.2Very low126 Ų126130.5 Ų130.582%0.81878%0.779SS**  cis-121.7163.711.341.8-26.4000114.5
486G27.1Very low30.4Very low81 Ų81130.6 Ų130.684%0.83579%0.786SS**  124.2167.464.200000107.2
487G29.6Very low30.4Very low69 Ų69132.7 Ų132.771%0.71180%0.795SS**  cis176.9137.1-7.200000107.1
488D30.4Very low30.6Very low162 Ų162130.4 Ų130.487%0.86681%0.807SS**  trans31.7123.8166.1-46.2-31.7000120
489D28.9Very low30.7Very low150 Ų150131.1 Ų131.180%0.80281%0.81SS**  -178.1159.290-131.5-11.5000116.8
490V30.6Very low30.8Very low120 Ų120138.9 Ų138.973%0.72782%0.815SS**  trans51.8145.9147.3164.80000123.6
491F29.9Very low30.9Very low190 Ų190142.2 Ų142.283%0.83383%0.828SS**  trans-72.7151.3174.5-61.2-113.7000113.5
492L30.3Very low31.1Very low165 Ų165143 Ų14386%0.86483%0.831SS**  -178.9166.7108.7-97167.9000115.7
493T29.9Very low31.2Very low134 Ų134140.2 Ų140.282%0.82283%0.826SS**  trans-53.1144-174.341.70000118.5
494G25.8Very low31.7Very low84 Ų84147.6 Ų147.687%0.86684%0.839SS**  trans-148.9125.1157.300000111.9
495S30.8Very low31.9Very low123 Ų123151.4 Ų151.486%0.8684%0.838SS**  trans-129.6125.8-171.4176.30000112.9
496A32.2Very low31.6Very low99 Ų99153.2 Ų153.282%0.81884%0.839SS**  trans-161103.5155.600000115
497K33.1Very low32.1Very low211 Ų211155.9 Ų155.992%0.91783%0.828SS**  trans9.9113.6142.5-62.9162.9-178.9167.60119.1
498G30.9Very low32.6Very low87 Ų87162 Ų16290%0.89783%0.83SS**  trans-133.268.1159.400000113
499R34.3Very low33.1Very low239 Ų239158.2 Ų158.290%0.90281%0.813SS**  trans-107113.8-173-179.3-164.9-84.1-145.90.2112.8
500R30.1Very low33.4Very low242 Ų242157.2 Ų157.291%0.91381%0.807SS**  trans-168.9111.2149.9-107.6172-153.9-134.35.2112
501L34Very low34.2Very low167 Ų167155.2 Ų155.287%0.87480%0.803SS**  trans-174.5117.8149.1-114167.9000112.6
502K33.3Very low34.8Very low198 Ų198151 Ų15186%0.86180%0.797SS**  trans176.476.3140.7-98.4166.5-172.2175.70109.9
503G32.2Very low35.6Very low60 Ų60147.7 Ų147.762%0.61979%0.787SS**  trans-63158.5161.200000110.8R505G503-R505 PolarHBondContact O-N 2.95Å
504R39.3Very low36.2Very low257 Ų257146.4 Ų146.497%0.9778%0.779SS**  trans-60.1106.6180-66-176.9178.7-149.3-1.2110L506R504-L506 PolarHBondContact O-N 3.31Å
505R34.8Very low36.9Very low216 Ų216146.6 Ų146.682%0.81577%0.766SS**  trans-71.4100.2176.5-75.9-170.1176.9-172.5-1.5110.5G503 F507G503-R505 PolarHBondContact O-N 2.95Å; R505-F507 PolarHBondContact O-N 2.88Å
506L35.7Very low37.6Very low163 Ų163145.6 Ų145.685%0.85377%0.765SS**  trans-56123.4152.4-80.6164.2000108.1R504 R508R504-L506 PolarHBondContact O-N 3.31Å; L506-R508 PolarHBondContact O-N 2.85Å
507F38.6Very low38.6Very low138 Ų138152.7 Ų152.761%0.60577%0.771SS**  trans-76.192.1171.8-76.2-88000108.8R505 V509 K526R505-F507 PolarHBondContact O-N 2.88Å; F507-V509 PolarHBondContact O-N 3.42Å; F507-K526 VanDerWaalsContact CD1-NZ 3.3Å; F507-K526 HydrophobicContact CD2-CD 4Å; F507-K526 HydrophobicContact CE2-CD 4.15Å; F507-K526 VanDerWaalsContact CE2-NZ 3.28Å
508R39Very low39.7Very low198 Ų198147.1 Ų147.175%0.74775%0.754SS**PPolyproline II helixtrans-59.4125.1148.7-73.5-68.3-169.5-173.53.8106.6L506L506-R508 PolarHBondContact O-N 2.85Å
509V40.4Very low41.4Very low82 Ų82149.6 Ų149.650%0.49774%0.737SS.*PPolyproline II helixtrans-84.4137.4162.6179.40000106F507 A511F507-V509 PolarHBondContact O-N 3.42Å; V509-A511 PolarHBondContact O-N 3.49Å
510D36.8Very low42.8Very low128 Ų128141.8 Ų141.868%0.68472%0.717SS**PPolyproline II helixtrans-59.8133.2175.7-72.8-51000110.3S512D510-S512 PolarHBondContact O-N 2.86Å
511A47.1Very low44.4Very low78 Ų78134.4 Ų134.465%0.64569%0.694SS**THydrogen-bonded Turntrans-74.815-178.700000113.3V509 V514V509-A511 PolarHBondContact O-N 3.49Å; A511-V514 WeakPolarHBondContact O-CG2 3.33Å
512S42.8Very low46Very low101 Ų101129.6 Ų129.671%0.70667%0.671SS**THydrogen-bonded Turntrans-79.1-20.5-175.753.10000113.9D510 V514D510-S512 PolarHBondContact O-N 2.86Å; S512-V514 PolarHBondContact O-N 2.85Å
513C46.8Very low47.5Very low96 Ų96122.7 Ų122.765%0.64965%0.648SS**  trans-83.251.6177.456.20000113.2C515C513-C515 PolarHBondContact O-N 3.38Å
514V42.8Very low48.9Very low108 Ų108122.6 Ų122.666%0.65564%0.637SS**  trans-75.885.1176.8-171.20000110.8A511 S512 A516A511-V514 WeakPolarHBondContact O-CG2 3.33Å; S512-V514 PolarHBondContact O-N 2.85Å; V514-A516 PolarHBondContact O-N 3.25Å
515C39.3Very low50.1Low87 Ų87116.5 Ų116.559%0.58862%0.619SS**  trans-66.9120158.9-63.90000108.5C513 R517 T518C513-C515 PolarHBondContact O-N 3.38Å; C515-R517 PolarHBondContact O-N 3.13Å; C515-T518 PolarHBondContact O-N 3.01Å; C515-T518 PolarHBondContact O-OG1 3.26Å
516A46.4Very low51.4Low103 Ų103112.3 Ų112.385%0.85161%0.607SS**THydrogen-bonded Turntrans-63.714.9-167.900000117.2V514V514-A516 PolarHBondContact O-N 3.25Å
517R53.9Low52.6Low248 Ų248112.4 Ų112.494%0.93660%0.596SS**THydrogen-bonded Turntrans-1345.7175-69.1-171.5169.298.23114.1C515C515-R517 PolarHBondContact O-N 3.13Å
518T56.3Low53.6Low93 Ų93116.3 Ų116.357%0.57161%0.607SS**SBendtrans-128.9128.6-176.951.50000112C515C515-T518 PolarHBondContact O-N 3.01Å; C515-T518 PolarHBondContact O-OG1 3.26Å
519R66.2Low54.7Low140 Ų140115 Ų11553%0.52861%0.614SS.*  trans-62.8138.9176.4-55.4-178.7-168.4-168.2-2.8110.3A405 S407A405-R519 WeakPolarHBondContact O-CD 3.31Å; S407-R519 VanDerWaalsContact OG-CZ 3.23Å; S407-R519 PolarHBondContact OG-NH1 2.69Å; S407-R519 VanDerWaalsContact OG-NH1 3.15Å; S407-R519 PolarHBondContact OG-NH2 2.89Å; S407-R519 VanDerWaalsContact OG-NH2 3.13Å
520P63.9Low55.5Low75 Ų75116.1 Ų116.149%0.48761%0.612SS.*  trans-63.3142.7179.223.8-31.4000111.6A405 V522A405-P520 HydrophobicContact CB-CG 3.84Å; A405-P520 WeakPolarHBondContact CB-O 3.21Å; A405-P520 PolarHBondContact N-O 3.45Å; P520-V522 PolarHBondContact O-N 3.1Å
521M62.9Low56Low87 Ų87114.6 Ų114.643%0.42961%0.612SS.*EExtended strand (participates in β ladder)trans-84.8111.8-178.5-177.5174.562.300109.9V402 L404 C524V402-M521 HydrophobicContact CG1-CG 4.16Å; V402-M521 HydrophobicContact CG1-SD 4.11Å; L404-M521 HydrophobicContact CD2-CB 4.46Å; M521-C524 HydrophobicContact CE-CB 4.11Å; M521-C524 HydrophobicContact CG-CB 4.38Å; M521-C524 HydrophobicContact SD-CB 3.63Å
522V66.9Low56.1Low65 Ų65116.1 Ų116.139%0.39461%0.613SS.*EExtended strand (participates in β ladder)trans-77.7-38.5-174.4173.50000111.7V403 A405 P520V403-V522 HydrophobicContact CG1-CB 4.4Å; V403-V522 PolarHBondContact O-N 3.04Å; A405-V522 HydrophobicContact CB-CG2 3.78Å; P520-V522 PolarHBondContact O-N 3.1Å
523S66.3Low56.3Low54 Ų54116.3 Ų116.338%0.37861%0.61SS.*EExtended strand (participates in β ladder)trans-153.7148.117168.40000112.2V403V403-S523 PolarHBondContact N-O 2.93Å; V403-S523 PolarHBondContact O-N 2.92Å
524C61.6Low56Low58 Ų58115.9 Ų115.939%0.39261%0.607SS.*  trans-138.2144.2171.263.20000110.6M521 K526M521-C524 HydrophobicContact CE-CB 4.11Å; M521-C524 HydrophobicContact CG-CB 4.38Å; M521-C524 HydrophobicContact SD-CB 3.63Å; C524-K526 PolarHBondContact O-N 3.19Å
525H64.1Low55.7Low128 Ų128115.1 Ų115.159%0.59361%0.606SS**  trans-75.1117.7171.2-168.179.9000109.2R527H525-R527 PolarHBondContact O-N 2.88Å
526K61.3Low55.9Low128 Ų128118.3 Ų118.356%0.55761%0.607SS**  trans-66.4103.4177.9-85-169.6170.3-177.10110F507 C524F507-K526 VanDerWaalsContact CD1-NZ 3.3Å; F507-K526 HydrophobicContact CD2-CD 4Å; F507-K526 HydrophobicContact CE2-CD 4.15Å; F507-K526 VanDerWaalsContact CE2-NZ 3.28Å; C524-K526 PolarHBondContact O-N 3.19Å
527R61.9Low55.1Low166 Ų166119.3 Ų119.363%0.62660%0.603SS**  trans-64.2136.3175.7-56.2-176.3-168.91686.8109.9H525H525-R527 PolarHBondContact O-N 2.88Å
528R59.7Low54.1Low220 Ų220115 Ų11583%0.8360%0.604SS**  trans-70133.8159.1-66176.469.8175.30.2107.1F530R528-F530 PolarHBondContact O-N 3.08Å
529L61.2Low53Low171 Ų171115.5 Ų115.590%0.89561%0.611SS**  trans-72.3114171.3-66.6175000107.9S531L529-S531 PolarHBondContact O-N 3.41Å
530F56.4Low51.5Low104 Ų104114 Ų11446%0.45662%0.622SS.*  trans-72.3108.7170.9-66.4-81.8000108.3H394 I395 R528 V532H394-F530 AromaticContact CD2-CE1 3.98Å; H394-F530 AromaticContact CD2-CZ 3.65Å; H394-F530 AromaticContact NE2-CE1 3.99Å; H394-F530 AromaticContact NE2-CZ 3.7Å; I395-F530 HydrophobicContact CD1-CD2 4.26Å; I395-F530 HydrophobicContact CG1-CD2 3.98Å; I395-F530 HydrophobicContact CG1-CE2 3.99Å; R528-F530 PolarHBondContact O-N 3.08Å; F530-V532 PolarHBondContact O-N 3.03Å
531S48.7Very low50.2Low97 Ų97116.6 Ų116.668%0.67864%0.639SS**  trans-75.9111.6169.8-170.30000108.4L529 T533L529-S531 PolarHBondContact O-N 3.41Å; S531-T533 PolarHBondContact O-N 2.65Å
532V49.5Very low48.6Very low110 Ų110122 Ų12267%0.66766%0.66SS**  trans-78.183.8168.5-176.90000107.1F530 S534F530-V532 PolarHBondContact O-N 3.03Å; V532-S534 PolarHBondContact O-N 2.6Å
533T45.3Very low47Very low105 Ų105124.1 Ų124.164%0.64468%0.677SS**  trans-67.596.3172.341.80000109.3S531 C535S531-T533 PolarHBondContact O-N 2.65Å; T533-C535 PolarHBondContact O-N 2.63Å; T533-C535 PolarHBondContact O-SG 3.39Å
534S40.9Very low45.3Very low86 Ų86132.9 Ų132.960%0.60170%0.702SS**  trans-57116.6169.4-174.30000109.6V532 Y536V532-S534 PolarHBondContact O-N 2.6Å; S534-Y536 PolarHBondContact O-N 3Å; S534-Y536 WeakPolarHBondContact OG-CD2 3.31Å
535C36.9Very low43.9Very low93 Ų93139.9 Ų139.963%0.62873%0.726SS**SBendtrans-77.342.3-171.7-610000114T533T533-C535 PolarHBondContact O-N 2.63Å; T533-C535 PolarHBondContact O-SG 3.39Å
536Y42.6Very low42.3Very low154 Ų154139.5 Ų139.560%0.60474%0.735SS**  trans-136.353.3-173.1-53.7-66.8000113.9R384 S534R384-Y536 VanDerWaalsContact CZ-OH 3.26Å; R384-Y536 PolarHBondContact NH1-OH 2.94Å; R384-Y536 PolarHBondContact NH2-OH 3.45Å; R384-Y536 VanDerWaalsContact NH2-OH 3.13Å; S534-Y536 PolarHBondContact O-N 3Å; S534-Y536 WeakPolarHBondContact OG-CD2 3.31Å
537T30.1Very low40.7Very low124 Ų124140.1 Ų140.176%0.76175%0.749SS**  trans-139.195.8164.254.80000111.9S539T537-S539 PolarHBondContact O-N 2.87Å; T537-S539 VanDerWaalsContact O-N 3.12Å
538T34.3Very low39.1Very low157 Ų157136.4 Ų136.496%0.96375%0.749SS**  trans-76.389.4168.6500000110.4
539S33.1Very low37.7Very low103 Ų103132.4 Ų132.472%0.7275%0.749SS**  trans-99.8122.5172.458.70000111.1T537T537-S539 PolarHBondContact O-N 2.87Å; T537-S539 VanDerWaalsContact O-N 3.12Å
540S33Very low36.1Very low108 Ų108131.3 Ų131.376%0.75574%0.739SS**  trans-75138.8-178.755.20000112.9K542S540-K542 PolarHBondContact O-N 2.99Å
541P37.3Very low34.8Very low130 Ų130135.7 Ų135.784%0.84476%0.758SS**  trans-82.5110.8177.231.1-32.6000111.4
542K30.4Very low34.1Very low202 Ų202136.6 Ų136.688%0.87876%0.762SS**  trans-89.5110.1162.5-82.5-171.1174.9-178.30110.4S540S540-K542 PolarHBondContact O-N 2.99Å
543S32.3Very low33.1Very low108 Ų108137.6 Ų137.676%0.75577%0.768SS**  trans-11.7121.1171.7-175.60000118.2
544R30.8Very low32.2Very low238 Ų238137.7 Ų137.790%0.89877%0.772SS**  trans-141.2137.4138.7-70.8-165.1173.6-179.3-2.4109.3
545K31.4Very low31.7Very low205 Ų205141.3 Ų141.389%0.89179%0.785SS**PPolyproline II helixtrans-81133.1174.7-60.7-179.3-179.6-178.20110.6
546P31.7Very low31.6Very low120 Ų120141.2 Ų141.278%0.77979%0.785SS**PPolyproline II helixtrans-93.3158.8147.734.3-28.8000110.8
547V27.3Very low30.9Very low141 Ų141140.1 Ų140.186%0.85580%0.799SS**PPolyproline II helixtrans-81153.9178.7173.50000110.7T549V547-T549 PolarHBondContact O-N 3.08Å
548S28.6Very low30.8Very low89 Ų89142.4 Ų142.462%0.62281%0.806SS**PPolyproline II helixtrans-67.4125.5177.1-1780000112.6
549T28.9Very low30.4Very low136 Ų136140.2 Ų140.283%0.83480%0.797SS**  trans-141.3117.4147.1-41.30000108.1V547V547-T549 PolarHBondContact O-N 3.08Å
550H28.5Very low30.3Very low148 Ų148141.7 Ų141.769%0.68580%0.802SS**  trans-72.3143169.2-72.6-112000109.9
551F28.8Very low30.1Very low195 Ų195141.7 Ų141.786%0.85580%0.8SS**  -178.8138.8111.5-86.6-59.7000109.9
552P34.2Very low29.7Very low117 Ų117142.4 Ų142.476%0.7680%0.796SS**  trans-83.9154.5171.734.9-33.1000110.8
553T28.7Very low29.5Very low130 Ų130138.2 Ų138.280%0.79879%0.791SS**  trans-139.5109.3165.3-46.70000109.8
554C26.4Very low29.3Very low107 Ų107138.5 Ų138.572%0.72379%0.793SS**  trans-61.1137.9166.91800000109.2S556C554-S556 PolarHBondContact SG-OG 3.48Å
555N30.8Very low29.1Very low163 Ų163136.7 Ų136.787%0.87279%0.792SS**  trans-115.549.2-174.1-15653.3000112.2
556S33.5Very low29.4Very low90 Ų90133.1 Ų133.163%0.62979%0.789SS**  trans-146.183.9172.159.60000111.7C554C554-S556 PolarHBondContact SG-OG 3.48Å
557C28.5Very low29.2Very low132 Ų132131 Ų13189%0.89279%0.789SS**  trans-162.6134.6150.5-95.10000107.8
558D27.5Very low29.1Very low172 Ų172130.6 Ų130.692%0.9279%0.791SS**  trans-71.1162.7165.2-86.8-65.1000110.7
559S27.5Very low29Very low110 Ų110132.3 Ų132.377%0.76980%0.803SS**  trans-116.5125.8-177.561.20000111.9
560V30.8Very low28.8Very low135 Ų135131.2 Ų131.282%0.81880%0.8SS**  trans-163.8118.3145.8134.80000109.5
561C29.1Very low28.7Very low108 Ų108135.4 Ų135.473%0.7381%0.81SS**  trans54.5150.7153.5-58.80000121.7
562L27.9Very low28.6Very low145 Ų145130.7 Ų130.776%0.75980%0.801SS**  cis-167.3136.6-17.6-112170.5000109.1
563C27.1Very low28.4Very low114 Ų114136 Ų13677%0.7781%0.806SS**  trans59155.2159.5-73.20000119.2
564S28.2Very low28.4Very low113 Ų113137.2 Ų137.279%0.7981%0.807SS**  cis-152.2168.3-8.3-105.90000111.1
565K24.8Very low28.6Very low201 Ų201141 Ų14187%0.87481%0.813SS**  trans-78.6174.2172.9-76.1-174.1178.4-176.50111.9
566P38.8Very low28.6Very low130 Ų130138.3 Ų138.384%0.84480%0.804SS**  cis-134.2172.68.741.9-25.3000117.1
567G27.4Very low28.3Very low75 Ų75142.1 Ų142.177%0.77382%0.817SS**  trans164.3115.6165.400000112.7
568C25.2Very low28.3Very low133 Ų133141.9 Ų141.990%0.89981%0.811SS**  trans-117.7134.3179.6-65.10000111.3
569S26.3Very low28.4Very low125 Ų125139.4 Ų139.487%0.87480%0.804SS**  trans-166159.7130.3-158.90000111.1
570C24.6Very low28.5Very low113 Ų113142.2 Ų142.276%0.76481%0.81SS**  trans-131.5128.7-171.9-510000111.9
571R25.8Very low28.4Very low236 Ų236141.5 Ų141.589%0.89181%0.811SS**  trans176.8128.7150.3-97.3147.1175.8-149.2-5.1107.9
572S28.3Very low28.5Very low96 Ų96142.4 Ų142.467%0.67182%0.818SS**  79.19550.2-171.10000114.3
573R30.1Very low28.5Very low229 Ų229139 Ų13986%0.86482%0.819SS**  -169.6165.2119.8-103.3159.2-68.8-169.79.5111.9
574L28.4Very low28.9Very low155 Ų155140.2 Ų140.281%0.81282%0.822SS**  trans-88.4155.1173.7-62162.5000109.8
575H29.3Very low29Very low185 Ų185140.7 Ų140.786%0.85682%0.821SS**  -173.7157116.4-97.4-69000110.2
576P31.1Very low29.1Very low107 Ų107137 Ų13770%0.69582%0.815SS**  trans-94.2152.2-171.736.4-33.8000113.3
577L27.4Very low29Very low171 Ų171136.4 Ų136.490%0.89581%0.814SS**  trans-133.5138.6156.4-75.1176.5000109
578V28Very low29Very low127 Ų127139.9 Ų139.977%0.7781%0.81SS**PPolyproline II helixtrans-98.8127173.9171.80000108.7
579P30.6Very low29.2Very low119 Ų119141.6 Ų141.677%0.77380%0.804SS**PPolyproline II helixtrans-96.9121.4155-4.824.7000109.6
580L28.8Very low29.1Very low169 Ų169145.4 Ų145.489%0.88581%0.805SS**PPolyproline II helixtrans-76.5126.3161.4-82.3157.4000108.9
581S29.5Very low29.3Very low121 Ų121147.6 Ų147.685%0.84680%0.804SS**  trans-159.1132.6152.8-165.50000110
582S31.7Very low29.3Very low126 Ų126143.6 Ų143.688%0.88180%0.796SS**  trans-90.3128.9173.5-62.60000109.8
583G27.8Very low29.1Very low75 Ų75148.4 Ų148.477%0.77381%0.805SS**  trans-146.3119.417600000109.8
584V34.3Very low29.1Very low138 Ų138145.3 Ų145.384%0.83680%0.798SS**  trans-73.1160.1-165.1-173.40000112.4
585T31.3Very low29.1Very low124 Ų124142.4 Ų142.476%0.76180%0.796SS**  trans83.7122172.976.40000117.2
586T27.2Very low29.2Very low124 Ų124142.3 Ų142.376%0.76179%0.788SS**  trans-170.4132.7139.111.30000110.9
587S35.9Very low29Very low116 Ų116144.5 Ų144.581%0.81179%0.789SS**  trans-96.894.717254.80000110.5
588H27.5Very low29.1Very low149 Ų149143 Ų14369%0.6978%0.777SS**  trans-132.397.2-179.7-75.7-50.3000115.4F590H588-F590 PolarHBondContact O-N 2.97Å
589H28.5Very low29.1Very low168 Ų168146.5 Ų146.578%0.77878%0.777SS**  25.887.6125.4-168-63.4000117.1Q591H589-Q591 PolarHBondContact O-N 3.44Å
590F24.8Very low29Very low206 Ų206146.5 Ų146.590%0.90478%0.775SS**  trans-61.8107172.6-93.1-86.6000112.5H588 Q592H588-F590 PolarHBondContact O-N 2.97Å; F590-Q592 PolarHBondContact O-N 2.96Å
591Q28.1Very low29.2Very low158 Ų158146.1 Ų146.174%0.73877%0.768SS**  trans-82.997.9169.5-172.7168.1-5.700110H589 F593H589-Q591 PolarHBondContact O-N 3.44Å; Q591-F593 PolarHBondContact O-N 3.32Å
592Q27.2Very low29.1Very low153 Ų153151.1 Ų151.172%0.71577%0.769SS**  trans-69.292.4-167.9-169.7177.669.400113.9F590 K594F590-Q592 PolarHBondContact O-N 2.96Å; Q592-K594 HydrophobicContact CG-CG 4.25Å; Q592-K594 PolarHBondContact O-N 3.47Å
593F24.3Very low29Very low197 Ų197150.3 Ų150.386%0.86476%0.761SS**  trans-70.4104166.9-94.7-89.5000111Q591 A595Q591-F593 PolarHBondContact O-N 3.32Å; F593-A595 PolarHBondContact O-N 3.45Å
594K29.7Very low29.1Very low163 Ų163154.7 Ų154.771%0.70977%0.765SS**  trans-84.681.2170.1-70-171.3177.2175.90111.1Q592Q592-K594 HydrophobicContact CG-CG 4.25Å; Q592-K594 PolarHBondContact O-N 3.47Å
595A27.9Very low29Very low94 Ų94154.3 Ų154.378%0.77776%0.757SS**  trans-62137.5154.100000108.5F593F593-A595 PolarHBondContact O-N 3.45Å
596R31.2Very low29Very low184 Ų184155.4 Ų155.469%0.69476%0.757SS**  trans-115.695.7-175.9-170.8-171.4-156-109.2-2.7109.4E598R596-E598 IonicContact CZ-OE1 2.86Å; R596-E598 IonicContact NH1-OE1 3.05Å; R596-E598 PolarHBondContact NH1-OE1 3.05Å; R596-E598 PolarHBondContact O-N 2.91Å
597E28.3Very low29Very low153 Ų153156 Ų15672%0.71576%0.755SS**  trans-75.8114176.4-65.4-174.9147.400110.6W599E597-W599 PolarHBondContact O-N 3Å
598E28.1Very low28.7Very low138 Ų138155.5 Ų155.565%0.64575%0.752SS**  trans-89.881.7-179.7-59.3-158.7143.600110.3R596 V600R596-E598 IonicContact CZ-OE1 2.86Å; R596-E598 IonicContact NH1-OE1 3.05Å; R596-E598 PolarHBondContact NH1-OE1 3.05Å; R596-E598 PolarHBondContact O-N 2.91Å; E598-V600 WeakPolarHBondContact O-CG2 3.44Å; E598-V600 PolarHBondContact O-N 3.49Å
599W28Very low28.7Very low201 Ų201159.9 Ų159.976%0.76176%0.762SS**  trans-62.696.4173.4-75.589.4000111.2E597 Q601E597-W599 PolarHBondContact O-N 3Å; W599-Q601 PolarHBondContact O-N 3.24Å; W599-Q601 VanDerWaalsContact O-N 3.1Å
600V29.3Very low28.7Very low120 Ų120160 Ų16073%0.72777%0.768SS**  trans-72.6101.3-178.6-178.90000110.5E598 R602E598-V600 WeakPolarHBondContact O-CG2 3.44Å; E598-V600 PolarHBondContact O-N 3.49Å; V600-R602 PolarHBondContact O-N 3.23Å
601Q32.8Very low28.9Very low160 Ų160155.2 Ų155.275%0.74876%0.76SS**  trans-61.4107.8171.1-70.3176.6-0.700111W599W599-Q601 PolarHBondContact O-N 3.24Å; W599-Q601 VanDerWaalsContact O-N 3.1Å
602R27.1Very low28.9Very low226 Ų226155.3 Ų155.385%0.85377%0.766SS**  trans-94.8118.8160.5-69.9-178.6177172.80.3108.2V600 L604V600-R602 PolarHBondContact O-N 3.23Å; R602-L604 PolarHBondContact O-N 3.35Å
603P29.6Very low29.3Very low110 Ų110153.4 Ų153.471%0.71477%0.767SS**  trans-68.7129.8171.428.3-32.7000109.7I605P603-I605 PolarHBondContact O-N 2.73Å
604L30.4Very low30Very low167 Ų167149 Ų14987%0.87476%0.758SS**  trans-71.4112.1171.4-70.4171.4000109R602R602-L604 PolarHBondContact O-N 3.35Å
605I32.3Very low30.1Very low130 Ų130147.1 Ų147.167%0.66776%0.755SS**  trans-92.899.2173.3-54.6177.5000108P603 N607P603-I605 PolarHBondContact O-N 2.73Å; I605-N607 VanDerWaalsContact CG2-ND2 3.35Å; I605-N607 WeakPolarHBondContact CG2-ND2 3.44Å; I605-N607 PolarHBondContact O-N 2.93Å; I605-N607 VanDerWaalsContact O-N 3.12Å
606I30.8Very low30.1Very low146 Ų146149.9 Ų149.975%0.74975%0.747SS**  trans-73.1101.5172.9-58.5177.6000108.3
607N27.4Very low29.9Very low137 Ų137144.3 Ų144.373%0.73375%0.747SS**  trans-105.370.2175.9-84.9-47.8000110.8I605 R609I605-N607 VanDerWaalsContact CG2-ND2 3.35Å; I605-N607 WeakPolarHBondContact CG2-ND2 3.44Å; I605-N607 PolarHBondContact O-N 2.93Å; I605-N607 VanDerWaalsContact O-N 3.12Å; N607-R609 PolarHBondContact O-N 3.32Å; N607-R609 VanDerWaalsContact O-N 3.15Å
608S30.3Very low29.9Very low106 Ų106148.3 Ų148.374%0.74176%0.755SS**  trans-82.581172.841.10000111.4
609R26.2Very low29.8Very low240 Ų240147.4 Ų147.491%0.90676%0.759SS**  trans-85.5105.9163-75.2-171.4177.7-156.6-0.4109.9N607N607-R609 PolarHBondContact O-N 3.32Å; N607-R609 VanDerWaalsContact O-N 3.15Å
610L29.3Very low29.6Very low171 Ų171142.5 Ų142.590%0.89576%0.755SS**  trans-116.8157.3158.3-75.1173.3000110.1
611S27.6Very low29.5Very low106 Ų106141.8 Ų141.874%0.74176%0.755SS**  trans-114.1122.6-154.450.50000114.2
612N29.4Very low29.3Very low160 Ų160140.3 Ų140.386%0.85676%0.758SS**  trans-65.5142.7160.2-60-15.9000109.9
613P35.8Very low29.7Very low113 Ų113134.7 Ų134.773%0.73475%0.751SS**  -150.5-178.6103.939.7-23.9000113.8
614P38.1Very low29.5Very low105 Ų105140.5 Ų140.568%0.68276%0.758SS**  cis-129.7168.3-2425-3.3000115.6
615N32.6Very low29.2Very low122 Ų122139.2 Ų139.265%0.65275%0.747SS**  trans-12.2158.3147.9-39.7-63.9000118.5
616Y28.5Very low29Very low153 Ų153141.6 Ų141.660%0.675%0.753SS**  cis-149.316330.2-63.2-104.3000110.4
617G26.4Very low28.8Very low67 Ų67140.6 Ų140.669%0.69176%0.759SS**  cis173.1176.9-5.200000112.2
618R26.9Very low28.9Very low237 Ų237145.4 Ų145.489%0.89477%0.767SS**  trans34.5137.6139.1-116.1-162.3-84.6-112.36119.3
619V26.6Very low28.9Very low118 Ų118150.2 Ų150.272%0.71577%0.774SS**  cis-149.9167.125.1-163.90000110.1
620S25.1Very low28.9Very low99 Ų99144.4 Ų144.469%0.69277%0.769SS**  trans-57.4168.8159.360.50000112.6
621S27.3Very low28.9Very low104 Ų104145.3 Ų145.373%0.72777%0.766SS**  -176.415973.6-57.50000113.8
622T27.8Very low29Very low130 Ų130148.2 Ų148.280%0.79877%0.768SS**  trans-63.8174.1159.757.70000111.5
623P35.1Very low29Very low108 Ų108148.7 Ų148.770%0.70176%0.764SS**  cis-150.5-165.918.946.3-25.3000117.8
624R25.3Very low28.7Very low232 Ų232148.1 Ų148.188%0.87576%0.759SS**  trans71.7100.6150.1-78.1-177.6175.5-121.3-4.2122
625H25.1Very low28.4Very low140 Ų140152.5 Ų152.565%0.64876%0.762SS**  55.5108104.5-140.2-95.3000120.5
626K26.7Very low28.3Very low179 Ų179155.9 Ų155.978%0.77877%0.765SS**  trans57.5111.6155.7-65.5-177.5-179.1-179.60119.4
627S27.4Very low28.3Very low125 Ų125154.9 Ų154.987%0.87477%0.766SS**  -169164.4103.356.60000112.6
628R30.6Very low28.5Very low238 Ų238159.9 Ų159.990%0.89877%0.769SS**  trans-84.5134178.3-62.7171.6174171-5110.8
629K29.9Very low28.5Very low207 Ų207160.5 Ų160.590%0.977%0.771SS**  179.3146.7117.7-97.9162.5-177.5-1800112.7
630C25.6Very low28.8Very low118 Ų118158.1 Ų158.180%0.79777%0.771SS**  trans-79.7135.2172.9172.30000111.1
631K28.4Very low28.9Very low191 Ų191159.8 Ų159.883%0.8378%0.776SS**  -174.5139.7120.4-99.8173-177.4-1730111
632Q30.8Very low29.2Very low166 Ų166161.9 Ų161.978%0.77678%0.778SS**  trans-126.8126.2179.5-172.9-168.475.300109.9
633H29.3Very low29.3Very low170 Ų170161.1 Ų161.179%0.78777%0.774SS**  trans-133.2115.2156.3-63.2-64.6000105.4
634V29.8Very low29Very low101 Ų101162.5 Ų162.561%0.61278%0.78SS**  62.8111.672.5179.20000108.3
635R32Very low29.4Very low198 Ų198155 Ų15575%0.74776%0.763SS**  -171.9140.955.4-135.7160.5-168.6-159.45112.9
636R29.6Very low30.4Very low193 Ų193152.9 Ų152.973%0.72876%0.762SS**  trans65161.4145.2-70.3175.5-175.8-154.4-2.5118.9
637Q28.3Very low30.6Very low131 Ų131150.6 Ų150.661%0.61276%0.757SS**  cis-156.8159.7-7.4-127.7-177.316.600113.8
638K31Very low30.7Very low172 Ų172156.3 Ų156.375%0.74876%0.759SS**  trans70132.3148.2-75.5173.8178.2177.70122.5
639R28Very low30.6Very low250 Ų250150 Ų15094%0.94375%0.751SS**  trans12.9143.9142.1-57.8-179.7174.3-142.5-1.3119.6
640G31.9Very low31.3Very low69 Ų69146 Ų14671%0.71175%0.746SS**  cis148.2-179-0.300000113
641V27.5Very low31.4Very low133 Ų133143.7 Ų143.781%0.80674%0.743SS**  trans88.6105.1165.7-176.10000119.5
642L33.8Very low31.7Very low148 Ų148140.4 Ų140.478%0.77574%0.744SS**  trans50153.2132.4-48.5-178.6000122.6
643T28.4Very low31.8Very low114 Ų114136.6 Ų136.670%0.69974%0.741SS**  cis-171.2173.1-11.927.70000112.6
644V29.2Very low31.7Very low137 Ų137138.9 Ų138.983%0.8374%0.743SS**  trans88.3147.2157.6-156.40000119.2
645S33.2Very low31.7Very low74 Ų74137 Ų13752%0.51774%0.735SS.*  trans-115.3-148.1-178.4-36.20000110.6
646P46.3Very low31.7Very low97 Ų97133.4 Ų133.463%0.6373%0.726SS**  cis-127.4-171.4-8.322.35.8000113.6
647I32.2Very low31.9Very low130 Ų130135.2 Ų135.267%0.66773%0.733SS**  170.4147.790.6-94.7171.9000113.7
648R28.2Very low32Very low245 Ų245139.7 Ų139.793%0.92574%0.744SS**  trans69.6173.1156.2-90173.5161.9149-5.2125.1
649S28.7Very low32.2Very low105 Ų105142.3 Ų142.373%0.73475%0.749SS**  trans-155.1-161.8-163.3600000109.6
650P44.3Very low32.7Very low123 Ų123134.6 Ų134.680%0.79973%0.734SS**  cis-141.4-174.2-10.443.3-23.8000117.5
651G28.3Very low32.8Very low71 Ų71138.3 Ų138.373%0.73274%0.737SS**  trans90.8173.1157.500000118.9
652S34.8Very low33.4Very low121 Ų121140 Ų14085%0.84673%0.734SS**  cis166.8149.5-33.447.40000111.3
653A32.2Very low33.4Very low87 Ų87143.3 Ų143.372%0.71974%0.736SS**  cis-175.7171.1-18.600000111.8
654W27.3Very low33.8Very low217 Ų217146.4 Ų146.482%0.82274%0.74SS**  trans73.5172168.2-79.630.4000120
655S30.8Very low34.1Very low62 Ų62151 Ų15143%0.43474%0.742SS.*  178.6149.5-68.663.50000114.9C819S655-C819 CarbonylContact C-O 3.6Å; S655-C819 PolarHBondContact N-O 2.96Å; S655-C819 VanDerWaalsContact N-O 3.12Å; S655-C819 CarbonylContact O-C 3.48Å
656Q32.8Very low34.3Very low122 Ų122156 Ų15657%0.5776%0.755SS**  trans-163.6-167165.8-119.3178.530.100120.5M818Q656-M818 VanDerWaalsContact NE2-CA 3.28Å; Q656-M818 VanDerWaalsContact NE2-N 3.14Å
657R33.2Very low33.6Very low232 Ų232162.7 Ų162.788%0.87577%0.767SS**  trans-140.9159.4-162.9-63.5172.5163.3-172.5-3116.4
658R30Very low33.4Very low224 Ų224160.2 Ų160.285%0.84577%0.774SS**  trans-172.9135.4140-99.2155.2-158.2-127.57.3111.3
659R35.8Very low33.5Very low227 Ų227158.2 Ų158.286%0.85777%0.766SS**  64.1140.887.7-70.4-172.4178.9173.80.2115.8
660S37.9Very low33.5Very low88 Ų88162.6 Ų162.662%0.61577%0.767SS**  cis179.9157.9-8.7580000115.6
661N34.3Very low32.6Very low147 Ų147161.8 Ų161.879%0.78676%0.763SS**  trans71.1151.3153.6-60.9-44000119.4
662K39.3Very low32.5Very low169 Ų169169.5 Ų169.574%0.73577%0.77SS**  -176145.451.6-128.4156.4-175.7173.90113.6
663R34.9Very low32.3Very low218 Ų218171.8 Ų171.882%0.82377%0.771SS**  trans64.6167.1147.1-70168.5178.4-171-2.2121.7
664K36.1Very low32.3Very low179 Ų179172.9 Ų172.978%0.77877%0.77SS**  cis-175.9149.6-49.8-131.9175.4-1771750113
665R34.6Very low32.5Very low232 Ų232170.5 Ų170.588%0.87577%0.765SS**  trans76.1165.6160.7-61169.8169.9169.5-5.8119.1
666K37.4Very low32.8Very low179 Ų179173.5 Ų173.578%0.77878%0.776SS**  cis-175139.5-46.3-154.9179.5-174.3-179.20113.1
667R31.8Very low32.9Very low239 Ų239173.8 Ų173.890%0.90278%0.782SS**  trans77135149.9-105.3-175.1-179.6-165.60.3123.4
668G27.8Very low33Very low77 Ų77169.9 Ų169.979%0.79477%0.773SS**  trans112165.3142.900000118.5
669R31.1Very low33.1Very low203 Ų203166.6 Ų166.677%0.76677%0.773SS**  -158.6125.2-76.4-135.9-155.8-153.7-68.18.8112.3
670R28.6Very low32.9Very low198 Ų198161 Ų16175%0.74776%0.763SS**  trans62.7129.9152-89.2-159.8-68.1-139.98124
671C25.5Very low32.6Very low106 Ų106164 Ų16472%0.71677%0.771SS**  117.8130.7124.3-840000122.7
672R26.8Very low32.4Very low232 Ų232166 Ų16688%0.87577%0.769SS**  trans60.6132151.8-64.2-174.6-173.3-116.17.6122.3
673L30Very low32.2Very low169 Ų169166.2 Ų166.289%0.88577%0.773SS**  -155.1174.8128.6-159.252.2000109.9
674T31.3Very low31.9Very low111 Ų111161.7 Ų161.768%0.68177%0.765SS**  trans-149.6152.4-162.946.40000113.5
675K31.6Very low31.6Very low167 Ų167157.7 Ų157.773%0.72676%0.758SS**  trans177145.1143.2-94.1-165.3164.2-139.60108.2
676D37.2Very low31.4Very low124 Ų124154.2 Ų154.266%0.66376%0.757SS**  cis76.8136.845.1-42.5-32.8000110.9
677D35.1Very low31.1Very low129 Ų129153.6 Ų153.669%0.6976%0.761SS**  cis-144.2169.425-67.6-82.5000114.8
678Q36.3Very low30.9Very low150 Ų150145.1 Ų145.170%0.70175%0.748SS**  trans-6.2163.4155.9-92.169-13.300122.2
679D31.6Very low31Very low155 Ų155148.6 Ų148.683%0.82975%0.749SS**  -156.2-162.355.2-115.6-35000117.5
680V32.3Very low30.8Very low109 Ų109143.8 Ų143.866%0.66175%0.746SS**  trans-144.8156.3-133.9157.80000117.4
681L31.5Very low30.9Very low150 Ų150138.9 Ų138.979%0.78574%0.742SS**  trans68.7159.8169.8-104.658.9000116.7
682Y30Very low31Very low189 Ų189140.2 Ų140.274%0.74174%0.742SS**  cis-141.6158.336.4-158.4-100.7000114.7L684Y682-L684 HydrophobicContact CE1-CD1 3.98Å; Y682-L684 HydrophobicContact CE1-CG 4.21Å
683Q35.7Very low31.3Very low175 Ų175134.9 Ų134.982%0.81873%0.731SS**  trans-155.4125.7178.9-179.7-175.219.900111.8
684L27.6Very low31.2Very low123 Ų123133.2 Ų133.264%0.64472%0.721SS**  trans-152.1123.8163.8-82.5175.5000106.9Y682Y682-L684 HydrophobicContact CE1-CD1 3.98Å; Y682-L684 HydrophobicContact CE1-CG 4.21Å
685C29.9Very low31.3Very low95 Ų95134.5 Ų134.564%0.64272%0.722SS**  63.3103.786.3-580000112.1
686D30.8Very low31.2Very low158 Ų158134.3 Ų134.385%0.84572%0.724SS**  84.3124.471.1-77.7-32.3000113.2
687L30.3Very low31Very low166 Ų166136.2 Ų136.287%0.86973%0.729SS**  163.8133.3117.9-173.762.3000113.5
688G28.1Very low30.7Very low62 Ų62136.3 Ų136.364%0.63973%0.729SS**  trans92154.8147.900000119.7
689D29.5Very low30.4Very low149 Ų149138.9 Ų138.980%0.79773%0.734SS**  cis-176.5165.8-30.1-112.4-42.1000109.6
690S27Very low30.3Very low103 Ų103134.8 Ų134.872%0.7273%0.728SS**  trans65111.7164.3-1180000118.1
691S30Very low30.4Very low94 Ų94136.2 Ų136.266%0.65773%0.728SS**  88.3146.975.778.20000113.8
692N29.4Very low30.1Very low134 Ų134136.9 Ų136.972%0.71773%0.725SS**  cis-158.8-176.89.1-142.543.1000113.2
693D31.9Very low30.1Very low121 Ų121133.4 Ų133.465%0.64772%0.723SS**  trans83.3136.3157.5-63.3-6.7000118.9
694M28.1Very low29.9Very low134 Ų134132.2 Ų132.266%0.6672%0.722SS**  cis-159145.3-7.1-102.5-77.2163.500110.3
695L34.3Very low29.9Very low137 Ų137131.9 Ų131.972%0.71773%0.73SS**  trans51.8147.2148.8-67.6167.5000120.7
696E29.5Very low29.9Very low163 Ų163138.3 Ų138.376%0.76274%0.741SS**  cis-151.5129.4-3.5-156.7155.9-143.700109.9
697E32.4Very low29.6Very low165 Ų165134.8 Ų134.877%0.77174%0.741SS**  23.2155.7128.9-89.5-168.1-145.400123.9
698N28.8Very low29.9Very low130 Ų130132 Ų13270%0.69574%0.735SS**  cis-152.8-174.4-3.6-146.8-28.4000113.2
699Y30.9Very low30.1Very low205 Ų205141.1 Ų141.180%0.80475%0.751SS**  trans-103165.7-166.6-110.5-106.5000116.6
700G28.4Very low30Very low68 Ų68137.2 Ų137.270%0.70175%0.745SS**  trans-167110.7146.700000108.4
701Q33.7Very low30.1Very low139 Ų139142.2 Ų142.265%0.6575%0.754SS**  cis61.212343.8-134.7177.413.900110.3
702F26.5Very low30.5Very low164 Ų164145.1 Ų145.172%0.71976%0.762SS**  -154.3179.652.7-75.6-88.3000111.3
703T29Very low30.8Very low117 Ų117150.9 Ų150.972%0.71877%0.773SS**  cis-152.4162.18.5-15.30000112.3
704L31.5Very low31Very low149 Ų149154.2 Ų154.278%0.7878%0.782SS**  trans-12.8159.3151.7-85.377.2000119.8
705S27.6Very low31.5Very low116 Ų116156.1 Ų156.181%0.81179%0.789SS**  cis-155165.444.2-159.60000117.6
706R29.9Very low31.4Very low231 Ų231158.5 Ų158.587%0.87280%0.796SS**  trans-113.8133.5-173.5176.417669.8-179.90.8110.6
707G25.8Very low32Very low83 Ų83162.2 Ų162.286%0.85680%0.803SS**  trans-146.7108175.600000113
708S35.9Very low32.5Very low107 Ų107157.7 Ų157.775%0.74880%0.801SS**  trans-127134.3176.261.40000111.8
709R31.1Very low33.2Very low255 Ų255163 Ų16396%0.96281%0.811SS**  trans179.6128.3151.6-102162.1-172.4-134.1-0.2108.1
710G29.3Very low33.9Very low66 Ų66159.2 Ų159.268%0.6881%0.809SS**  trans-96.5170.7172.600000111.8
711F28.7Very low34.7Very low209 Ų209166.7 Ų166.792%0.91782%0.818SS**  trans-164161.1142-123.4-86000111.2
712L38.4Very low35.8Very low155 Ų155163.1 Ų163.181%0.81280%0.803SS**  trans-61.9134.9-177.8-66.7153.6000113.4
713R35.6Very low37.1Very low254 Ų254161.8 Ų161.896%0.95880%0.802SS**  trans-138.6150.7149.9-89.3-156.7-90.9-136.3-0.6113.3
714K36.1Very low38.5Very low191 Ų191163 Ų16383%0.8380%0.804SS**  trans-74154.4-171.3-66.2172.3178.4171.50112.6
715H38.9Very low39.6Very low174 Ų174161.4 Ų161.481%0.80680%0.797SS**  trans35109154.8-57.3-54.7000118.8
716H31.6Very low41.1Very low187 Ų187161.5 Ų161.587%0.86679%0.787SS**  trans-117.8109.6139.2-110.6-72.4000110.6
717R42.7Very low42.2Very low241 Ų241156.5 Ų156.591%0.90978%0.782SS**  trans-68148.3152.1-78.5-175.7172.2-167.6-0.7107.7
718G42.5Very low43.4Very low71 Ų71158.7 Ų158.773%0.73277%0.772SS**  trans87.458.316600000115.5
719R42.5Very low43.7Very low241 Ų241158.3 Ų158.391%0.90977%0.768SS**  trans-91.2116.8133.8-76.7-170.5178.8-103.4-0.1107.1
720V45.8Very low44.3Very low125 Ų125152.3 Ų152.376%0.75876%0.759SS**  trans-68.1135.3168.4176.10000106.4N722V720-N722 PolarHBondContact O-N 3.43Å
721Y45.9Very low45.5Very low225 Ų225155.8 Ų155.888%0.88276%0.761SS**  trans-71.588.2162.4-67.5-73.8000107.2I723Y721-I723 PolarHBondContact O-N 2.84Å
722N55.7Low46.2Very low64 Ų64149.7 Ų149.734%0.34274%0.742SS.*  trans-68.2123.7167.5-173.825.2000107.1V720 D724 D725V720-N722 PolarHBondContact O-N 3.43Å; N722-D724 PolarHBondContact O-N 3.45Å; N722-D725 HydrophobicContact CB-CB 3.98Å; N722-D725 WeakPolarHBondContact CB-OD2 3.22Å; N722-D725 PolarHBondContact ND2-OD1 2.83Å; N722-D725 PolarHBondContact O-N 3.04Å; N722-D725 VanDerWaalsContact O-N 3.17Å
723I55.5Low46.8Very low136 Ų136148.7 Ų148.770%0.69774%0.744SS**G310 helixtrans-68.9-28.4-178.9-59.6172.5000109.4Y721 D725 I726Y721-I723 PolarHBondContact O-N 2.84Å; I723-D725 VanDerWaalsContact C-N 3.28Å; I723-D725 PolarHBondContact O-N 3.4Å; I723-I726 PolarHBondContact O-N 3.18Å
724D57.5Low47.3Very low142 Ų142144.2 Ų144.276%0.75974%0.739SS**G310 helixtrans-76.3-11176.8-46.1-36.9000113N722N722-D724 PolarHBondContact O-N 3.45Å
725D55.1Low47.7Very low116 Ų116139.5 Ų139.562%0.6273%0.73SS**G310 helixtrans-88.9-2.2173.6-68.31.4000112.3N722 I723 V727N722-D725 HydrophobicContact CB-CB 3.98Å; N722-D725 WeakPolarHBondContact CB-OD2 3.22Å; N722-D725 PolarHBondContact ND2-OD1 2.83Å; N722-D725 PolarHBondContact O-N 3.04Å; N722-D725 VanDerWaalsContact O-N 3.17Å; I723-D725 VanDerWaalsContact C-N 3.28Å; I723-D725 PolarHBondContact O-N 3.4Å; D725-V727 VanDerWaalsContact C-N 3.25Å; D725-V727 PolarHBondContact O-N 3.42Å
726I59.7Low48.3Very low118 Ų118140.4 Ų140.461%0.60573%0.732SS**  trans-78.181.8173.1-51.9179.7000108.3I723 I728I723-I726 PolarHBondContact O-N 3.18Å; I726-I728 HydrophobicContact CG2-CG1 4.12Å; I726-I728 PolarHBondContact O-N 2.85Å
727V51.6Low49.3Very low127 Ų127138.5 Ų138.577%0.7773%0.733SS**  trans-68.483.7169.6-1750000108.8D725 P729D725-V727 VanDerWaalsContact C-N 3.25Å; D725-V727 PolarHBondContact O-N 3.42Å; V727-P729 WeakPolarHBondContact O-CD 3.39Å
728I52.1Low50.3Low128 Ų128135 Ų13566%0.65673%0.727SS**  trans-63.9121.6155.1-56.6176.3000105.3I726 V730I726-I728 HydrophobicContact CG2-CG1 4.12Å; I726-I728 PolarHBondContact O-N 2.85Å; I728-V730 PolarHBondContact O-N 2.82Å
729P41.3Very low51.3Low100 Ų100139.9 Ų139.965%0.64973%0.728SS**  trans-65.410117326.6-32.4000108.4V727 I731V727-P729 WeakPolarHBondContact O-CD 3.39Å; P729-I731 VanDerWaalsContact C-N 3.31Å; P729-I731 PolarHBondContact O-N 3.29Å
730V44.5Very low52.1Low128 Ų128135.6 Ų135.678%0.77672%0.722SS**  trans-68.495.8167.7177.80000106.3I728 P732I728-V730 PolarHBondContact O-N 2.82Å; V730-P732 WeakPolarHBondContact O-CD 3.4Å
731I52.9Low53Low140 Ų140138.2 Ų138.272%0.71873%0.726SS**  trans-63.6113.3172.8-62.1169.6000106.9P729P729-I731 VanDerWaalsContact C-N 3.31Å; P729-I731 PolarHBondContact O-N 3.29Å
732P43.8Very low53.7Low81 Ų81137.4 Ų137.453%0.52672%0.723SS.*  trans-68.3158170.2-11.529.3000108.9V730 L734V730-P732 WeakPolarHBondContact O-CD 3.4Å; P732-L734 PolarHBondContact O-N 2.86Å
733P51.6Low54.3Low133 Ų133143.3 Ų143.386%0.86475%0.746SS**SBendtrans-72.867.7175.132.1-35.8000111
734L46.2Very low54.7Low160 Ų160144 Ų14484%0.83875%0.751SS**  trans-137.922.6-177.1-112.8168.8000113P732P732-L734 PolarHBondContact O-N 2.86Å
735S44.7Very low55Low92 Ų92144.1 Ų144.164%0.64375%0.75SS**SBendtrans-97.1134.113654.10000108.1
736K52Low55.6Low194 Ų194146.3 Ų146.384%0.84376%0.761SS**  trans-56.1149.9150.1-76.4178.1175.4176.10106.7E738K736-E738 PolarHBondContact O-N 2.69Å
737V53.1Low55.4Low147 Ų147146.1 Ų146.189%0.89177%0.765SS**  trans-71.877156.3-1760000106.4K739V737-K739 PolarHBondContact O-N 2.8Å
738E63.6Low55.8Low168 Ų168145.1 Ų145.179%0.78576%0.761SS**  trans-59.6109.6164.3-177.5167.3-154.800105.7K736 L740K736-E738 PolarHBondContact O-N 2.69Å; E738-L740 PolarHBondContact O-N 3.11Å
739K62.6Low56.1Low172 Ų172150.2 Ų150.275%0.74877%0.772SS**  trans-55.5106.6172.4176-175.9178.5-177.20105.6V737 Q741V737-K739 PolarHBondContact O-N 2.8Å; K739-Q741 PolarHBondContact O-N 2.77Å
740L59.2Low57.2Low152 Ų152157.3 Ų157.380%0.79679%0.786SS**  trans-47.9107.4172.5-85.1165.2000106.5E738 Y742E738-L740 PolarHBondContact O-N 3.11Å; L740-Y742 PolarHBondContact O-N 2.78Å
741Q65.1Low58.2Low180 Ų180162 Ų16284%0.84179%0.79SS**  trans-63.3110.9171.1-70.1-170.7-400104.4K739 K743K739-Q741 PolarHBondContact O-N 2.77Å; Q741-K743 PolarHBondContact O-N 2.97Å
742Y60.9Low59Low207 Ų207161.8 Ų161.881%0.81280%0.795SS**  trans-53.4111.4168.3-73.6-94000105.2L740 D744L740-Y742 PolarHBondContact O-N 2.78Å; Y742-D744 PolarHBondContact O-N 3.42Å; Y742-D744 VanDerWaalsContact O-N 3.1Å
743K68.1Low59.7Low189 Ų189163.2 Ų163.282%0.82280%0.802SS**  trans-59.3119161.6-72.7-170.4174.6-171.90104.4Q741 I745Q741-K743 PolarHBondContact O-N 2.97Å; K743-I745 PolarHBondContact O-N 2.91Å
744D63.5Low59.8Low150 Ų150162.8 Ų162.880%0.80279%0.793SS**  trans-59.896167.4-83.4-30.7000107Y742 L746Y742-D744 PolarHBondContact O-N 3.42Å; Y742-D744 VanDerWaalsContact O-N 3.1Å; D744-L746 VanDerWaalsContact C-N 3.31Å; D744-L746 PolarHBondContact O-N 3.32Å
745I64.1Low60.3Low145 Ų145162.5 Ų162.574%0.74479%0.79SS**  trans-64.8104.6164.8-58.1176.7000103K743 T747K743-I745 PolarHBondContact O-N 2.91Å; I745-T747 PolarHBondContact O-N 2.93Å; I745-T747 PolarHBondContact O-OG1 3.48Å
746L66.4Low60.5Low161 Ų161166 Ų16684%0.84380%0.796SS**  trans-59.491.5174.8-77.2171.3000108.1D744 P748D744-L746 VanDerWaalsContact C-N 3.31Å; D744-L746 PolarHBondContact O-N 3.32Å; L746-P748 WeakPolarHBondContact O-CD 3.47Å
747T56.5Low60.5Low114 Ų114160.1 Ų160.170%0.69979%0.791SS**  trans-54.5115.3178.2-56.50000106.9I745 R749I745-T747 PolarHBondContact O-N 2.93Å; I745-T747 PolarHBondContact O-OG1 3.48Å; T747-R749 PolarHBondContact O-N 2.94Å
748P59.8Low59.8Low107 Ų107160.8 Ų160.870%0.69579%0.789SS**  trans-62.6111-173.423.7-32.8000108.2L746 W750L746-P748 WeakPolarHBondContact O-CD 3.47Å; P748-W750 PolarHBondContact O-N 3.41Å; P748-W750 VanDerWaalsContact O-N 3.1Å
749R58.3Low58.6Low235 Ų235158.7 Ų158.789%0.88779%0.787SS**  trans-59.4120177.9-68.4-177.573.5167.82.8107.5T747 R751T747-R749 PolarHBondContact O-N 2.94Å; R749-R751 PolarHBondContact O-N 3.22Å
750W63.5Low57.6Low248 Ų248156.5 Ų156.594%0.93979%0.791SS**  trans-52.4114.4176.6-62.596.6000109.1P748 V752P748-W750 PolarHBondContact O-N 3.41Å; P748-W750 VanDerWaalsContact O-N 3.1Å; W750-V752 PolarHBondContact O-N 3.23Å
751R67Low56.6Low226 Ų226158.5 Ų158.585%0.85379%0.793SS**  trans-75.7119.6169.2-69.5-170.7-70.6-165.9-1.8106.9R749 V753R749-R751 PolarHBondContact O-N 3.22Å; R751-V753 PolarHBondContact O-N 3.08Å; R751-V753 VanDerWaalsContact O-N 3.16Å
752V67.9Low55.5Low136 Ų136159.5 Ų159.582%0.82480%0.8SS**  trans-62.7116.4165.9-179.40000106.5W750W750-V752 PolarHBondContact O-N 3.23Å
753V59.9Low54.4Low112 Ų112152.8 Ų152.868%0.67979%0.794SS**  trans-100.1113.2172.9177.20000106.2R751 I755R751-V753 PolarHBondContact O-N 3.08Å; R751-V753 VanDerWaalsContact O-N 3.16Å; V753-I755 PolarHBondContact O-N 3.41Å
754D52.8Low53.5Low124 Ų124153.2 Ų153.266%0.66380%0.799SS**  trans-63.3107.8172.1-92.5-55.4000109.7Q756D754-Q756 HydrophobicContact CB-CG 4.47Å; D754-Q756 PolarHBondContact O-N 2.91Å
755I58Low52.6Low154 Ų154154.5 Ų154.579%0.7980%0.8SS**  trans-82.257.1173.2-46.1-176.6000109.2V753V753-I755 PolarHBondContact O-N 3.41Å
756Q47.7Very low51.9Low165 Ų165155.1 Ų155.177%0.77181%0.805SS**  trans-97.4105.5167.9-63.4-171.237.700108.3D754D754-Q756 HydrophobicContact CB-CG 4.47Å; D754-Q756 PolarHBondContact O-N 2.91Å
757G52.3Low50.9Low71 Ų71155.8 Ų155.873%0.73280%0.803SS**SBendtrans164.7-14177.600000117.7
758L39.4Very low50.8Low161 Ų161159.5 Ų159.584%0.84381%0.81SS**  trans-116.378.6178.4-71.4175.9000111.8P760L758-P760 WeakPolarHBondContact O-CD 3.39Å
759T38Very low50.9Low123 Ų123161.5 Ų161.576%0.75581%0.813SS**  trans-63.6123.1157.348.90000108.7K761T759-K761 PolarHBondContact O-N 2.97Å
760P41Very low51.2Low127 Ų127155.7 Ų155.783%0.82580%0.796SS**  trans-66.3109.9172.227.2-32.3000108.6L758L758-P760 WeakPolarHBondContact O-CD 3.39Å
761K38.9Very low51.4Low194 Ų194149.1 Ų149.184%0.84378%0.779SS**  trans-61.3138.8166.8-74.1-176.2176.1179.80108.3T759 G763T759-K761 PolarHBondContact O-N 2.97Å; K761-G763 PolarHBondContact O-N 2.78Å; K761-G763 VanDerWaalsContact O-N 3.17Å
762M41.8Very low51.8Low201 Ų201145.5 Ų145.599%0.9978%0.776SS**SBendtrans-52.2121.4167.5-79.5-71.9-17300109.7
763G37.5Very low52.2Low65 Ų65143 Ų14367%0.6776%0.764SS**  trans-173119.8-178.400000109.9K761 E765K761-G763 PolarHBondContact O-N 2.78Å; K761-G763 VanDerWaalsContact O-N 3.17Å; G763-E765 PolarHBondContact O-N 2.99Å
764E49.5Very low53Low199 Ų199143.7 Ų143.793%0.9376%0.764SS**  trans-81.480.3-172.8-62.7179.2122.500112.2
765E44.4Very low54.3Low177 Ų177143.8 Ų143.883%0.82776%0.76SS**  trans-117.6121162.8-71.4-162.3-18000111.5G763 Q767G763-E765 PolarHBondContact O-N 2.99Å; E765-Q767 VanDerWaalsContact C-N 3.27Å; E765-Q767 PolarHBondContact O-N 3.3Å
766N49Very low55.4Low158 Ų158138.2 Ų138.285%0.84573%0.733SS**  trans-72.678.3-178-74.7-87.7000110.7K768N766-K768 PolarHBondContact O-N 3.31Å
767Q44.8Very low57Low174 Ų174136 Ų13681%0.81372%0.721SS**  trans-61.3102.9164.3-70.1-167.84.800108.6E765 I769E765-Q767 VanDerWaalsContact C-N 3.27Å; E765-Q767 PolarHBondContact O-N 3.3Å; Q767-I769 PolarHBondContact O-N 2.86Å
768K55.4Low58.5Low192 Ų192135.4 Ų135.484%0.83571%0.71SS**  trans-67.187.7169.3-70.9178.6-179.8173.30108.4N766 E770N766-K768 PolarHBondContact O-N 3.31Å; K768-E770 PolarHBondContact O-N 3.42Å
769I61.3Low60.7Low149 Ų149135.8 Ų135.876%0.76470%0.7SS**  trans-55.4107.7154.5-58.5174000104.8Q767 D771Q767-I769 PolarHBondContact O-N 2.86Å; I769-D771 PolarHBondContact O-N 3.17Å
770E64.3Low62.9Low114 Ų114136.3 Ų136.353%0.53369%0.688SS.*  trans-67123.1173.3-74.6-162.1-159.900107.9K768 L772 R780K768-E770 PolarHBondContact O-N 3.42Å; E770-L772 WeakPolarHBondContact O-CG 3.46Å; E770-L772 PolarHBondContact O-N 3.45Å; E770-R780 IonicContact OE2-CZ 2.69Å; E770-R780 IonicContact OE2-NH1 3.28Å; E770-R780 PolarHBondContact OE2-NH1 2.91Å; E770-R780 IonicContact OE2-NH2 3.19Å; E770-R780 PolarHBondContact OE2-NH2 3.38Å
771D69.4Low65.1Low109 Ų109134 Ų13458%0.58367%0.666SS**  trans-54.8108.3174.9-72.7-50.4000110.1I769 C773 V776I769-D771 PolarHBondContact O-N 3.17Å; D771-C773 VanDerWaalsContact C-N 3.3Å; D771-V776 HydrophobicContact CB-CB 4.32Å; D771-V776 HydrophobicContact CB-CG1 4.44Å; D771-V776 HydrophobicContact CB-CG2 3.79Å; D771-V776 WeakPolarHBondContact O-CB 3.43Å; D771-V776 WeakPolarHBondContact O-CG1 3.33Å
772L73.8Confident67.6Low151 Ų151130.8 Ų130.879%0.79165%0.654SS**  trans-85.2-4.3177.7-62.1-175.1000112.7E770E770-L772 WeakPolarHBondContact O-CG 3.46Å; E770-L772 PolarHBondContact O-N 3.45Å
773C77.8Confident69.8Low83 Ų83123.9 Ų123.956%0.56163%0.629SS**SBendtrans-53.5141.7178.9-61.90000112D771 E775 V776 F777D771-C773 VanDerWaalsContact C-N 3.3Å; C773-E775 PolarHBondContact O-N 3.02Å; C773-V776 PolarHBondContact O-N 3.27Å; C773-F777 PolarHBondContact O-N 2.88Å
774D76.3Confident72.1Confident127 Ų127125.7 Ų125.768%0.67962%0.623SS**Hα-helixtrans-57.7-29.1-173.6-69.1-51.2000113.7V776 F777 A778D774-V776 VanDerWaalsContact C-N 3.32Å; D774-V776 PolarHBondContact O-N 3.2Å; D774-F777 PolarHBondContact O-N 2.9Å; D774-A778 WeakPolarHBondContact O-CB 3.35Å; D774-A778 PolarHBondContact O-N 3.27Å
775E79.8Confident73.9Confident126 Ų126120.1 Ų120.159%0.58960%0.597SS**Hα-helixtrans-55.5-44.8170.1-82.8-148.9-132.900113C773 R779C773-E775 PolarHBondContact O-N 3.02Å; E775-R779 WeakPolarHBondContact O-CB 3.35Å; E775-R779 WeakPolarHBondContact O-CD 3.33Å; E775-R779 WeakPolarHBondContact O-CG 3.23Å; E775-R779 PolarHBondContact O-N 3.43Å; E775-R779 IonicContact OE2-CZ 3.1Å; E775-R779 IonicContact OE2-NE 3.22Å; E775-R779 IonicContact OE2-NH2 2.64Å; E775-R779 PolarHBondContact OE2-NH2 3.46Å
776V81.8Confident76Confident37 Ų37115.5 Ų115.522%0.22458%0.575CS.*Hα-helixtrans-74.2-38.9-179.1176.50000109.9D771 C773 D774 R779 R780D771-V776 HydrophobicContact CB-CB 4.32Å; D771-V776 HydrophobicContact CB-CG1 4.44Å; D771-V776 HydrophobicContact CB-CG2 3.79Å; D771-V776 WeakPolarHBondContact O-CB 3.43Å; D771-V776 WeakPolarHBondContact O-CG1 3.33Å; C773-V776 PolarHBondContact O-N 3.27Å; D774-V776 VanDerWaalsContact C-N 3.32Å; D774-V776 PolarHBondContact O-N 3.2Å; V776-R779 PolarHBondContact O-N 3.48Å; V776-R780 VanDerWaalsContact O-CG 3.31Å; V776-R780 WeakPolarHBondContact O-CG 3.45Å; V776-R780 PolarHBondContact O-N 2.97Å
777F80.4Confident77.7Confident118 Ų118114.2 Ų114.252%0.51856%0.562SS.*Hα-helixtrans-62-44.9173.1-165.1-94.7000111.9C773 D774 R780 H781C773-F777 PolarHBondContact O-N 2.88Å; D774-F777 PolarHBondContact O-N 2.9Å; F777-R780 PolarHBondContact O-N 2.79Å; F777-H781 AromaticContact CD1-CE1 3.85Å; F777-H781 AromaticContact CD1-ND1 3.48Å; F777-H781 WeakPolarHBondContact CD1-ND1 3.4Å; F777-H781 AromaticContact CD2-CE1 3.97Å; F777-H781 AromaticContact CE1-CE1 3.36Å; F777-H781 WeakPolarHBondContact CE1-CE1 3.16Å; F777-H781 AromaticContact CE1-ND1 3.39Å; F777-H781 WeakPolarHBondContact CE1-ND1 3.46Å; F777-H781 AromaticContact CE2-CE1 3.5Å; F777-H781 AromaticContact CG-ND1 3.87Å; F777-H781 AromaticContact CZ-CE1 3.17Å; F777-H781 WeakPolarHBondContact CZ-CE1 3.26Å; F777-H781 AromaticContact CZ-ND1 3.7Å; F777-H781 AromaticContact CZ-NE2 3.89Å; F777-H781 WeakPolarHBondContact O-CB 3.35Å; F777-H781 PolarHBondContact O-N 3.03Å; F777-H781 PolarHBondContact O-ND1 2.92Å
778A84.3Confident79.3Confident59 Ų59111 Ų11149%0.48855%0.547SS..Hα-helixtrans-63.8-43175.800000111.8D774 R780 H781 Q782D774-A778 WeakPolarHBondContact O-CB 3.35Å; D774-A778 PolarHBondContact O-N 3.27Å; A778-R780 PolarHBondContact O-N 2.92Å; A778-H781 PolarHBondContact O-N 2.98Å; A778-H781 VanDerWaalsContact O-N 3.17Å; A778-Q782 WeakPolarHBondContact O-CB 3.34Å; A778-Q782 PolarHBondContact O-N 3.43Å
779R85.3Confident80.8Confident169 Ų169106.7 Ų106.764%0.63853%0.528SS*.Hα-helixtrans-60.7-41.7173.7-72.2165.1-166.6-153.88.1111.8E775 V776E775-R779 WeakPolarHBondContact O-CB 3.35Å; E775-R779 WeakPolarHBondContact O-CD 3.33Å; E775-R779 WeakPolarHBondContact O-CG 3.23Å; E775-R779 PolarHBondContact O-N 3.43Å; E775-R779 IonicContact OE2-CZ 3.1Å; E775-R779 IonicContact OE2-NE 3.22Å; E775-R779 IonicContact OE2-NH2 2.64Å; E775-R779 PolarHBondContact OE2-NH2 3.46Å; V776-R779 PolarHBondContact O-N 3.48Å
780R84.4Confident81.7Confident133 Ų133108.1 Ų108.150%0.50252%0.524SS..Hα-helixtrans-61.8-41.2172.7-69177.2-158.9-1479.9111.6E770 V776 F777 A778E770-R780 IonicContact OE2-CZ 2.69Å; E770-R780 IonicContact OE2-NH1 3.28Å; E770-R780 PolarHBondContact OE2-NH1 2.91Å; E770-R780 IonicContact OE2-NH2 3.19Å; E770-R780 PolarHBondContact OE2-NH2 3.38Å; V776-R780 VanDerWaalsContact O-CG 3.31Å; V776-R780 WeakPolarHBondContact O-CG 3.45Å; V776-R780 PolarHBondContact O-N 2.97Å; F777-R780 PolarHBondContact O-N 2.79Å; A778-R780 PolarHBondContact O-N 2.92Å
781H87.1Confident82.3Confident80 Ų80111.6 Ų111.637%0.3753%0.532SS..Hα-helixtrans-82.9-25.1-175.8-75.783.8000115.3F777 A778 A783 L784 E785F777-H781 AromaticContact CD1-CE1 3.85Å; F777-H781 AromaticContact CD1-ND1 3.48Å; F777-H781 WeakPolarHBondContact CD1-ND1 3.4Å; F777-H781 AromaticContact CD2-CE1 3.97Å; F777-H781 AromaticContact CE1-CE1 3.36Å; F777-H781 WeakPolarHBondContact CE1-CE1 3.16Å; F777-H781 AromaticContact CE1-ND1 3.39Å; F777-H781 WeakPolarHBondContact CE1-ND1 3.46Å; F777-H781 AromaticContact CE2-CE1 3.5Å; F777-H781 AromaticContact CG-ND1 3.87Å; F777-H781 AromaticContact CZ-CE1 3.17Å; F777-H781 WeakPolarHBondContact CZ-CE1 3.26Å; F777-H781 AromaticContact CZ-ND1 3.7Å; F777-H781 AromaticContact CZ-NE2 3.89Å; F777-H781 WeakPolarHBondContact O-CB 3.35Å; F777-H781 PolarHBondContact O-N 3.03Å; F777-H781 PolarHBondContact O-ND1 2.92Å; A778-H781 PolarHBondContact O-N 2.98Å; A778-H781 VanDerWaalsContact O-N 3.17Å; H781-A783 PolarHBondContact O-N 3.29Å; H781-A783 VanDerWaalsContact O-N 3.12Å; H781-L784 WeakPolarHBondContact O-CA 3.41Å; H781-L784 WeakPolarHBondContact O-CB 3.47Å; H781-L784 PolarHBondContact O-N 3.36Å; H781-E785 PolarHBondContact O-N 2.98Å
782Q91.5Very high82.2Confident126 Ų126114.1 Ų114.159%0.58953%0.534SS*.Hα-helixtrans-52.9-39.1-177.6-169.9-172.46200112.3A778 L784 E785 Q786A778-Q782 WeakPolarHBondContact O-CB 3.34Å; A778-Q782 PolarHBondContact O-N 3.43Å; Q782-L784 VanDerWaalsContact C-N 3.29Å; Q782-L784 PolarHBondContact O-N 2.89Å; Q782-E785 PolarHBondContact O-N 2.77Å; Q782-Q786 HydrophobicContact CG-CG 4.33Å; Q782-Q786 VanDerWaalsContact O-CB 3.31Å; Q782-Q786 WeakPolarHBondContact O-CB 3.46Å; Q782-Q786 WeakPolarHBondContact O-CG 3.42Å; Q782-Q786 PolarHBondContact O-N 3.04Å
783A87.8Confident82Confident56 Ų56110 Ų11046%0.46351%0.514SS..Hα-helixtrans-69-23.3178.500000114H781 K787H781-A783 PolarHBondContact O-N 3.29Å; H781-A783 VanDerWaalsContact O-N 3.12Å; A783-K787 WeakPolarHBondContact O-CD 3.4Å; A783-K787 VanDerWaalsContact O-CE 3.23Å; A783-K787 WeakPolarHBondContact O-CE 3.5Å; A783-K787 WeakPolarHBondContact O-CG 3.22Å
784L85.6Confident81.2Confident102 Ų102108.1 Ų108.153%0.53450%0.503SS..Hα-helixtrans-85.9-45.7172.5-65.3174.9000110.5H781 Q782 Q786 K787 E788H781-L784 WeakPolarHBondContact O-CA 3.41Å; H781-L784 WeakPolarHBondContact O-CB 3.47Å; H781-L784 PolarHBondContact O-N 3.36Å; Q782-L784 VanDerWaalsContact C-N 3.29Å; Q782-L784 PolarHBondContact O-N 2.89Å; L784-Q786 VanDerWaalsContact C-N 3.29Å; L784-Q786 PolarHBondContact O-N 3.13Å; L784-K787 HydrophobicContact CD2-CD 4.47Å; L784-K787 CarbonylContact O-C 3.57Å; L784-K787 WeakPolarHBondContact O-CA 3.36Å; L784-K787 WeakPolarHBondContact O-CB 3.46Å; L784-K787 PolarHBondContact O-N 2.91Å; L784-E788 PolarHBondContact O-N 2.96Å
785E88.3Confident80.5Confident82 Ų82107.8 Ų107.838%0.38349%0.492SS..Hα-helixtrans-57-41.1177.1-164.6-131.4-14900111.8H781 Q782 E788 K789H781-E785 PolarHBondContact O-N 2.98Å; Q782-E785 PolarHBondContact O-N 2.77Å; E785-E788 CarbonylContact O-C 3.56Å; E785-E788 PolarHBondContact O-N 2.66Å; E785-K789 HydrophobicContact CG-CD 4.48Å; E785-K789 WeakPolarHBondContact O-CG 3.44Å; E785-K789 PolarHBondContact O-N 3.41Å; E785-K789 WeakPolarHBondContact OE1-CE 3.33Å; E785-K789 IonicContact OE1-NZ 2.91Å; E785-K789 PolarHBondContact OE1-NZ 3.02Å; E785-K789 VanDerWaalsContact OE2-CE 3.29Å; E785-K789 WeakPolarHBondContact OE2-CE 3.44Å; E785-K789 IonicContact OE2-NZ 3.97Å; E785-K789 PolarHBondContact OE2-NZ 3.39Å
786Q87.7Confident79.4Confident80 Ų80107.6 Ų107.637%0.37449%0.491SS..Hα-helixtrans-70.3-31.6174.8-70.5-67.1-31.300113.4Q782 L784 E788 R790Q782-Q786 HydrophobicContact CG-CG 4.33Å; Q782-Q786 VanDerWaalsContact O-CB 3.31Å; Q782-Q786 WeakPolarHBondContact O-CB 3.46Å; Q782-Q786 WeakPolarHBondContact O-CG 3.42Å; Q782-Q786 PolarHBondContact O-N 3.04Å; L784-Q786 VanDerWaalsContact C-N 3.29Å; L784-Q786 PolarHBondContact O-N 3.13Å; Q786-E788 VanDerWaalsContact C-N 3.3Å; Q786-R790 WeakPolarHBondContact O-CB 3.28Å; Q786-R790 VanDerWaalsContact O-CD 3.32Å; Q786-R790 WeakPolarHBondContact O-CD 3.14Å; Q786-R790 WeakPolarHBondContact O-CG 3.45Å; Q786-R790 PolarHBondContact O-N 2.91Å
787K84.6Confident78.2Confident132 Ų132111.9 Ų111.957%0.57451%0.507SS*.Hα-helixtrans-68.2-35169.8-70.8164.1-167.7163.90110.4A783 L784 R791A783-K787 WeakPolarHBondContact O-CD 3.4Å; A783-K787 VanDerWaalsContact O-CE 3.23Å; A783-K787 WeakPolarHBondContact O-CE 3.5Å; A783-K787 WeakPolarHBondContact O-CG 3.22Å; L784-K787 HydrophobicContact CD2-CD 4.47Å; L784-K787 CarbonylContact O-C 3.57Å; L784-K787 WeakPolarHBondContact O-CA 3.36Å; L784-K787 WeakPolarHBondContact O-CB 3.46Å; L784-K787 PolarHBondContact O-N 2.91Å; K787-R791 PolarHBondContact O-N 3.3Å
788E79.5Confident77Confident105 Ų105112.2 Ų112.249%0.49151%0.505SS..Hα-helixtrans-71.5-50.7176.8-175148.3-154.100112.2L784 E785 Q786 R790 R791 W792L784-E788 PolarHBondContact O-N 2.96Å; E785-E788 CarbonylContact O-C 3.56Å; E785-E788 PolarHBondContact O-N 2.66Å; Q786-E788 VanDerWaalsContact C-N 3.3Å; E788-R790 PolarHBondContact O-N 3.12Å; E788-R790 VanDerWaalsContact O-N 3.11Å; E788-R791 CarbonylContact O-C 3.56Å; E788-R791 VanDerWaalsContact O-CA 3.3Å; E788-R791 WeakPolarHBondContact O-CA 3.3Å; E788-R791 VanDerWaalsContact O-CB 3.32Å; E788-R791 WeakPolarHBondContact O-CB 3.46Å; E788-R791 PolarHBondContact O-N 3.48Å; E788-W792 PolarHBondContact O-N 3.01Å; E788-W792 PolarHBondContact OE1-NE1 3.41Å
789K85.5Confident75.6Confident102 Ų102115.6 Ų115.644%0.44351%0.508SS..Hα-helixtrans-52.8-35.5172.9-73.1172.6176.3169.40112E785 T793E785-K789 HydrophobicContact CG-CD 4.48Å; E785-K789 WeakPolarHBondContact O-CG 3.44Å; E785-K789 PolarHBondContact O-N 3.41Å; E785-K789 WeakPolarHBondContact OE1-CE 3.33Å; E785-K789 IonicContact OE1-NZ 2.91Å; E785-K789 PolarHBondContact OE1-NZ 3.02Å; E785-K789 VanDerWaalsContact OE2-CE 3.29Å; E785-K789 WeakPolarHBondContact OE2-CE 3.44Å; E785-K789 IonicContact OE2-NZ 3.97Å; E785-K789 PolarHBondContact OE2-NZ 3.39Å; K789-T793 WeakPolarHBondContact O-CB 3.5Å; K789-T793 WeakPolarHBondContact O-CG2 3.47Å; K789-T793 PolarHBondContact O-N 3.31Å; K789-T793 PolarHBondContact O-OG1 3.35Å
790R80.3Confident73.9Confident179 Ų179111.7 Ų111.768%0.67551%0.506SS*.Hα-helixtrans-70.2-36.7170.8-70168.7-169.3-115.80.4113.5Q786 E788 T793 S794Q786-R790 WeakPolarHBondContact O-CB 3.28Å; Q786-R790 VanDerWaalsContact O-CD 3.32Å; Q786-R790 WeakPolarHBondContact O-CD 3.14Å; Q786-R790 WeakPolarHBondContact O-CG 3.45Å; Q786-R790 PolarHBondContact O-N 2.91Å; E788-R790 PolarHBondContact O-N 3.12Å; E788-R790 VanDerWaalsContact O-N 3.11Å; R790-T793 PolarHBondContact O-OG1 3.49Å; R790-S794 WeakPolarHBondContact O-CB 3.23Å; R790-S794 PolarHBondContact O-N 2.88Å
791R77.5Confident71.9Confident188 Ų188115.5 Ų115.571%0.70952%0.52SS*.Hα-helixtrans-64.3-47.4169.8-80-175.9168.4-156.40.4111.9K787 E788 S794 W795K787-R791 PolarHBondContact O-N 3.3Å; E788-R791 CarbonylContact O-C 3.56Å; E788-R791 VanDerWaalsContact O-CA 3.3Å; E788-R791 WeakPolarHBondContact O-CA 3.3Å; E788-R791 VanDerWaalsContact O-CB 3.32Å; E788-R791 WeakPolarHBondContact O-CB 3.46Å; E788-R791 PolarHBondContact O-N 3.48Å; R791-S794 CarbonylContact O-C 3.56Å; R791-S794 WeakPolarHBondContact O-CB 3.23Å; R791-S794 PolarHBondContact O-N 3.43Å; R791-S794 PolarHBondContact O-OG 3.33Å; R791-W795 PolarHBondContact O-N 3.3Å
792W66.4Low69.8Low162 Ų162121.4 Ų121.461%0.61454%0.539SS*.Hα-helixtrans-66.6-46.7-177.5-79.474.2000112.5E788 S794 W795 E796E788-W792 PolarHBondContact O-N 3.01Å; E788-W792 PolarHBondContact OE1-NE1 3.41Å; W792-S794 PolarHBondContact O-N 3.46Å; W792-W795 WeakPolarHBondContact O-CA 3.27Å; W792-W795 WeakPolarHBondContact O-CB 3.35Å; W792-W795 PolarHBondContact O-N 3.42Å; W792-E796 PolarHBondContact O-N 2.64Å
793T69.7Low67.5Low63 Ų63126.4 Ų126.439%0.38755%0.553SS.*Hα-helixtrans-61.1-29.117352.20000112.6K789 R790 K797K789-T793 WeakPolarHBondContact O-CB 3.5Å; K789-T793 WeakPolarHBondContact O-CG2 3.47Å; K789-T793 PolarHBondContact O-N 3.31Å; K789-T793 PolarHBondContact O-OG1 3.35Å; R790-T793 PolarHBondContact O-OG1 3.49Å; T793-K797 WeakPolarHBondContact O-CB 3.39Å; T793-K797 VanDerWaalsContact O-CD 3.27Å; T793-K797 WeakPolarHBondContact O-CD 3.44Å; T793-K797 WeakPolarHBondContact O-CG 3.49Å; T793-K797 PolarHBondContact O-N 2.84Å
794S61.2Low65.5Low45 Ų45128.4 Ų128.432%0.31556%0.563SS.*Hα-helixtrans-74.3-26.7170.386.50000113.8R790 R791 W792 R798R790-S794 WeakPolarHBondContact O-CB 3.23Å; R790-S794 PolarHBondContact O-N 2.88Å; R791-S794 CarbonylContact O-C 3.56Å; R791-S794 WeakPolarHBondContact O-CB 3.23Å; R791-S794 PolarHBondContact O-N 3.43Å; R791-S794 PolarHBondContact O-OG 3.33Å; W792-S794 PolarHBondContact O-N 3.46Å; S794-R798 WeakPolarHBondContact O-CB 3.3Å; S794-R798 VanDerWaalsContact O-CG 3.24Å; S794-R798 WeakPolarHBondContact O-CG 3.3Å; S794-R798 PolarHBondContact O-N 2.9Å; S794-R798 VanDerWaalsContact O-N 3.17Å; S794-R798 PolarHBondContact O-NE 3.49Å; S794-R798 PolarHBondContact OG-NH2 2.9Å
795W61.8Low63.2Low120 Ų120130 Ų13046%0.45558%0.577SS.*Hα-helixtrans-78.4-43.7179.8174.8-112.3000111.2R791 W792 R798 K799R791-W795 PolarHBondContact O-N 3.3Å; W792-W795 WeakPolarHBondContact O-CA 3.27Å; W792-W795 WeakPolarHBondContact O-CB 3.35Å; W792-W795 PolarHBondContact O-N 3.42Å; W795-R798 CarbonylContact O-C 3.55Å; W795-R798 WeakPolarHBondContact O-CA 3.34Å; W795-R798 WeakPolarHBondContact O-CB 3.47Å; W795-R798 PolarHBondContact O-N 3.08Å; W795-R798 VanDerWaalsContact O-N 3.14Å; W795-K799 PolarHBondContact O-N 3.15Å
796E56.5Low60.7Low122 Ų122137.8 Ų137.857%0.5760%0.603SS**Hα-helixtrans-60.3-49.9172.6-178.5170.5-115.800111.8W792 R798 K799 C800W792-E796 PolarHBondContact O-N 2.64Å; E796-R798 PolarHBondContact O-N 3.42Å; E796-K799 WeakPolarHBondContact O-CA 3.43Å; E796-K799 WeakPolarHBondContact O-CB 3.48Å; E796-K799 PolarHBondContact O-N 3.37Å; E796-C800 PolarHBondContact O-N 2.93Å; E796-C800 VanDerWaalsContact O-N 3.13Å
797K57.3Low58.1Low127 Ų127140.3 Ų140.355%0.55263%0.63SS**Hα-helixtrans-56-39.4172.4-70.2167.8-170.7173.40111.1T793 K799 C800 W801T793-K797 WeakPolarHBondContact O-CB 3.39Å; T793-K797 VanDerWaalsContact O-CD 3.27Å; T793-K797 WeakPolarHBondContact O-CD 3.44Å; T793-K797 WeakPolarHBondContact O-CG 3.49Å; T793-K797 PolarHBondContact O-N 2.84Å; K797-K799 VanDerWaalsContact C-N 3.35Å; K797-K799 PolarHBondContact O-N 2.75Å; K797-C800 PolarHBondContact O-N 3.38Å; K797-W801 PolarHBondContact O-N 3.2Å
798R55.2Low55.5Low125 Ų125138 Ų13847%0.47264%0.643SS.*Hα-helixtrans-66.6-25.6173.1-81.8177.7-74160.6-4.4114.3S794 W795 E796 R802S794-R798 WeakPolarHBondContact O-CB 3.3Å; S794-R798 VanDerWaalsContact O-CG 3.24Å; S794-R798 WeakPolarHBondContact O-CG 3.3Å; S794-R798 PolarHBondContact O-N 2.9Å; S794-R798 VanDerWaalsContact O-N 3.17Å; S794-R798 PolarHBondContact O-NE 3.49Å; S794-R798 PolarHBondContact OG-NH2 2.9Å; W795-R798 CarbonylContact O-C 3.55Å; W795-R798 WeakPolarHBondContact O-CA 3.34Å; W795-R798 WeakPolarHBondContact O-CB 3.47Å; W795-R798 PolarHBondContact O-N 3.08Å; W795-R798 VanDerWaalsContact O-N 3.14Å; E796-R798 PolarHBondContact O-N 3.42Å; R798-R802 WeakPolarHBondContact O-CB 3.45Å; R798-R802 WeakPolarHBondContact O-CG 3.41Å; R798-R802 PolarHBondContact O-N 3.36Å
799K54.4Low53Low130 Ų130138.6 Ų138.657%0.56566%0.659SS**Hα-helixtrans-69-44.7169.2-71.8-178.1177177.70110.7W795 E796 K797 R802 R803W795-K799 PolarHBondContact O-N 3.15Å; E796-K799 WeakPolarHBondContact O-CA 3.43Å; E796-K799 WeakPolarHBondContact O-CB 3.48Å; E796-K799 PolarHBondContact O-N 3.37Å; K797-K799 VanDerWaalsContact C-N 3.35Å; K797-K799 PolarHBondContact O-N 2.75Å; K799-R802 PolarHBondContact O-N 2.97Å; K799-R803 PolarHBondContact O-N 3.47Å
800C49.5Very low50.5Low87 Ų87144.4 Ų144.459%0.58868%0.678SS**Hα-helixtrans-61.9-49.8177.7-60.30000112E796 K797 R802 R803E796-C800 PolarHBondContact O-N 2.93Å; E796-C800 VanDerWaalsContact O-N 3.13Å; K797-C800 PolarHBondContact O-N 3.38Å; C800-R802 PolarHBondContact O-N 2.66Å; C800-R803 PolarHBondContact O-N 2.89Å; C800-R803 VanDerWaalsContact O-N 3.1Å
801W42Very low48.6Very low212 Ų212143.2 Ų143.280%0.80369%0.685SS**Hα-helixtrans-66.5-16.9178.9-69.9110.3000114.4K797K797-W801 PolarHBondContact O-N 3.2Å
802R42.9Very low46.6Very low204 Ų204139.7 Ų139.777%0.7769%0.689SS**THydrogen-bonded Turntrans-93.75.4173.2-72-154.4-66.5-158.12.1115R798 K799 C800R798-R802 WeakPolarHBondContact O-CB 3.45Å; R798-R802 WeakPolarHBondContact O-CG 3.41Å; R798-R802 PolarHBondContact O-N 3.36Å; K799-R802 PolarHBondContact O-N 2.97Å; C800-R802 PolarHBondContact O-N 2.66Å
803R43.7Very low45.2Very low231 Ų231137.2 Ų137.287%0.87270%0.696SS**SBendtrans-106.412173.3-136.2-170.8-70-170.21.3114.8K799 C800K799-R803 PolarHBondContact O-N 3.47Å; C800-R803 PolarHBondContact O-N 2.89Å; C800-R803 VanDerWaalsContact O-N 3.1Å
804S45Very low43.5Very low98 Ų98140 Ų14069%0.68572%0.718SS**SBendtrans-138.170.6179.1-166.40000113.9
805T39.2Very low42Very low135 Ų135141.6 Ų141.683%0.82874%0.741SS**SBendtrans-159.530.3161.4-70000116
806R35.7Very low40.6Very low247 Ų247139.5 Ų139.593%0.93276%0.757SS**  trans-144.626.2171.2-132.9178.8-171.9-168.91118.4G808R806-G808 PolarHBondContact O-N 3.27Å
807S32.7Very low39.3Very low133 Ų133136.8 Ų136.893%0.9376%0.762SS**  trans-88.197.2159.5-65.50000109.6
808G29Very low38Very low83 Ų83137.7 Ų137.786%0.85677%0.77SS**  trans-100.692.9178.900000112.2R806R806-G808 PolarHBondContact O-N 3.27Å
809S28.4Very low37Very low118 Ų118134.2 Ų134.283%0.82576%0.764SS**  trans-144.7135.2161.9-177.20000108.9
810R31.7Very low36Very low224 Ų224132.2 Ų132.285%0.84576%0.763SS**  trans-142.2115.4-178.9-91.7-164.2178.5-1572111.6
811L41.2Very low35.2Very low154 Ų154133.6 Ų133.681%0.80677%0.774SS**  trans69.7154.2152.9-49.1173.8000113.8
812S35.4Very low34.6Very low113 Ų113126.4 Ų126.479%0.7977%0.765SS**  cis-150.9167.228.9-106.30000110.3
813S36.5Very low34.2Very low111 Ų111124.3 Ų124.378%0.77677%0.769SS**  cis-165.1171.4-3.4-173.90000110.7
814S33.4Very low33.7Very low121 Ų121121.7 Ų121.785%0.84677%0.767SS**  trans72.8138.4166.6-1530000117.7
815G30.5Very low33.1Very low78 Ų78122 Ų12280%0.80477%0.769SS**  cis-104.7-132.6-6.600000113
816G32Very low32.9Very low76 Ų76120 Ų12078%0.78476%0.76SS**  cis171.9161.2-4.100000111.6
817G29Very low32.8Very low65 Ų65114.3 Ų114.367%0.6775%0.753SS**  trans75.9154.6177.900000115.9
818M30.7Very low32.9Very low146 Ų146115.7 Ų115.772%0.71975%0.745SS**  cis73.9132.67.1-50.917376.900117.1Q656Q656-M818 VanDerWaalsContact NE2-CA 3.28Å; Q656-M818 VanDerWaalsContact NE2-N 3.14Å
819C33.1Very low32.9Very low53 Ų53123.6 Ų123.636%0.35875%0.749SS.*  cis-159.6163.8-13.3-117.70000116.2S655S655-C819 CarbonylContact C-O 3.6Å; S655-C819 PolarHBondContact N-O 2.96Å; S655-C819 VanDerWaalsContact N-O 3.12Å; S655-C819 CarbonylContact O-C 3.48Å
820T33.6Very low32.9Very low87 Ų87121.4 Ų121.453%0.53475%0.746SS.*  trans50.5139.4149.948.80000124.6
821S32.9Very low32.8Very low117 Ų117116.7 Ų116.782%0.81875%0.745SS**  trans38.8144.4148.554.20000122.3
822G30.2Very low32.5Very low60 Ų60113.2 Ų113.262%0.61974%0.739SS**  cis171.2159.5-2.400000110.9
823D34.8Very low32.4Very low161 Ų161115.5 Ų115.586%0.86174%0.737SS**  trans55155.3158.5-52-38.4000118.6
824E31.6Very low32.3Very low175 Ų175116.6 Ų116.682%0.81873%0.733SS**  cis-152.3161.44.246.9-154.391.900112.9
825S33.8Very low32.3Very low104 Ų104117 Ų11773%0.72773%0.726SS**  trans22.9148.2138.1-141.60000122.4
826S34.8Very low32.3Very low93 Ų93117.8 Ų117.865%0.6572%0.719SS**  cis-179.6159.9-16-86.50000110
827V33.8Very low32.3Very low129 Ų129121.3 Ų121.378%0.78272%0.72SS**  trans65.2145.7148.2162.90000118.2
828E33.8Very low32.4Very low161 Ų161127 Ų12775%0.75273%0.729SS**  cis-156.8157.1-17.9-106.6-175.6142.500112.3
829W30.3Very low32.6Very low249 Ų249128.2 Ų128.294%0.94373%0.733SS**  trans-9.7149.3156.1-6159.1000122.4
830G28.5Very low32.8Very low73 Ų73130.8 Ų130.875%0.75375%0.749SS**  trans166146.3158.900000114.5
831C28.5Very low32.4Very low125 Ų125138 Ų13885%0.84577%0.766SS**  trans-132.9153.3-171.9-62.90000115.5
832A34.2Very low32.3Very low80 Ų80138.6 Ų138.666%0.66177%0.765SS**  trans67.5162.8156.200000118.3
833Q33.6Very low32.4Very low161 Ų161144.4 Ų144.475%0.75278%0.776SS**  cis-163.1139.57.7-165.5144.6-20.700112.2
834L34.3Very low32.3Very low134 Ų134145.4 Ų145.470%0.70278%0.776SS**  trans53.9148159.5-59.8172.4000119.3
835D33.5Very low32.3Very low130 Ų130148 Ų14870%0.69578%0.778SS**  cis-157.7-169.8-10.4-84.1-28.2000107.5
836S32Very low32.7Very low94 Ų94150 Ų15066%0.65778%0.78SS**  cis-156.1-177.914.3-37.60000112.3
837D32.3Very low32.8Very low151 Ų151151.2 Ų151.281%0.80779%0.785SS**  trans33.4127.4148.3-45.8-23.7000120.6
838E30.7Very low33.2Very low183 Ų183151.6 Ų151.686%0.85578%0.779SS**  cis-135.8171.23.3-64.7-172.6105.800112.2
839Q34.5Very low33.6Very low173 Ų173146.5 Ų146.581%0.80876%0.764SS**  trans-50169.8177.6-94.288.5-21.800117.3
840P36.3Very low34.5Very low106 Ų106140.7 Ų140.769%0.68876%0.758SS**  cis-143.717023.844.6-26.7000119.5
841R25.8Very low35.7Very low238 Ų238146 Ų14690%0.89876%0.756SS**  trans67.1155.9167.2-49.8-173.6176.7-177.9-2.7115.8
842V30.4Very low36.8Very low131 Ų131147.2 Ų147.279%0.79475%0.749SS**  cis-128.6140-0.4177.70000107.6
843E32.4Very low37.2Very low182 Ų182148.2 Ų148.285%0.8575%0.751SS**  trans-121159.1166.6-111.3172.715900112.9
844E34.3Very low38.5Very low182 Ų182148.9 Ų148.985%0.8575%0.747SS**  trans-89.4110.3-157.3-167.7172.916900111.5L846E844-L846 PolarHBondContact O-N 3.42Å
845W31.6Very low39.9Very low229 Ų229148 Ų14887%0.86775%0.747SS**  trans-59.999.1-176.5-80.384.5000113
846L40.4Very low40.8Very low146 Ų146149.1 Ų149.176%0.76475%0.746SS**PPolyproline II helixtrans-87.6141.2156.9-67.5173.8000108.9E844 Q848E844-L846 PolarHBondContact O-N 3.42Å; L846-Q848 PolarHBondContact O-N 2.92Å; L846-Q848 VanDerWaalsContact O-N 3.11Å
847P38.9Very low42.2Very low118 Ų118150.1 Ų150.177%0.76675%0.75SS**PPolyproline II helixtrans-61.3116.4178.7-24.234.7000112
848Q41.4Very low43.8Very low138 Ų138145.1 Ų145.165%0.64572%0.723SS**PPolyproline II helixtrans-65.9143.4176-159.1169.75.800109.7L846 E852L846-Q848 PolarHBondContact O-N 2.92Å; L846-Q848 VanDerWaalsContact O-N 3.11Å; Q848-E852 PolarHBondContact NE2-OE1 3.48Å
849A41.9Very low45.9Very low53 Ų53140 Ų14044%0.43870%0.702SS.*PPolyproline II helixtrans-77.915217600000110.3W851A849-W851 PolarHBondContact O-N 3.12Å
850P50.1Low47.6Very low127 Ų127139.8 Ų139.883%0.82570%0.7SS**SBendtrans-66.511.3175.9-20.333.3000115.4
851W52.7Low49.2Very low186 Ų186144 Ų14471%0.70570%0.703SS**SBendtrans-152.2136.2172.657.889.3000107.7A849A849-W851 PolarHBondContact O-N 3.12Å
852E52.8Low51.4Low149 Ų149137.6 Ų137.670%0.69668%0.683SS**  trans-84.3135.9170.2-59.3-155.9131.900109.9Q848 R854Q848-E852 PolarHBondContact NE2-OE1 3.48Å; E852-R854 PolarHBondContact O-N 3.13Å
853S41Very low53.3Low102 Ų102136.6 Ų136.671%0.71367%0.67SS**  trans-76.494.3179.2179.70000109.2V855S853-V855 PolarHBondContact O-N 3.47Å
854R61.7Low55.1Low174 Ų174130.2 Ų130.266%0.65765%0.648SS**  trans-43.8123.7173.4-65.4-171-178.1-154.9-0.5110.4E852 F856E852-R854 PolarHBondContact O-N 3.13Å; R854-F856 HydrophobicContact CB-CE2 4.45Å
855V63.7Low56.7Low115 Ų115125.5 Ų125.570%0.69763%0.632SS**  trans-91.7139.2175.6-1760000107.4S853S853-V855 PolarHBondContact O-N 3.47Å
856F52.2Low58.2Low154 Ų154118.9 Ų118.968%0.67561%0.613SS**SBendtrans-112.9144.3175.4-80.5-88.4000110.3R854 L858R854-F856 HydrophobicContact CB-CE2 4.45Å; F856-L858 HydrophobicContact CD1-CG 4.37Å; F856-L858 HydrophobicContact CE1-CD1 4.48Å; F856-L858 HydrophobicContact CE1-CD2 4.49Å; F856-L858 HydrophobicContact CE1-CG 4.15Å
857P60.9Low59.1Low115 Ų115117.2 Ų117.275%0.74760%0.604SS**SBendcis-64.2158.6-4.9-20.234.1000113.5
858L65.8Low59.8Low46 Ų46115.5 Ų115.524%0.24160%0.595CS.*PPolyproline II helixtrans-70.3163.4170.1-61.3175.1000109.9F856 E862 L866F856-L858 HydrophobicContact CD1-CG 4.37Å; F856-L858 HydrophobicContact CE1-CD1 4.48Å; F856-L858 HydrophobicContact CE1-CD2 4.49Å; F856-L858 HydrophobicContact CE1-CG 4.15Å; L858-E862 HydrophobicContact CB-CB 4.49Å; L858-L866 HydrophobicContact CD1-CD1 4.12Å
859D76.3Confident60.4Low76 Ų76115.7 Ų115.741%0.40660%0.6SS.*PPolyproline II helixtrans-79.9152170.4135.9-58.7000110.7R861 E862 E863D859-R861 PolarHBondContact O-N 3.06Å; D859-R861 VanDerWaalsContact OD1-CA 3.26Å; D859-R861 WeakPolarHBondContact OD1-CA 3.18Å; D859-R861 WeakPolarHBondContact OD1-CB 3.36Å; D859-R861 PolarHBondContact OD1-N 3.29Å; D859-E862 PolarHBondContact O-N 2.94Å; D859-E862 PolarHBondContact OD1-N 3.3Å; D859-E863 PolarHBondContact O-N 2.96Å
860E69.5Low60.7Low168 Ų168120.7 Ų120.779%0.78562%0.615SS**Hα-helixtrans-60.3-18.2-175.5-63.3179.2161.600113.5A864E860-A864 WeakPolarHBondContact O-CB 3.33Å; E860-A864 PolarHBondContact O-N 3.49Å; E860-A864 VanDerWaalsContact O-N 3.08Å
861R70Confident60.8Low194 Ų194120.6 Ų120.673%0.73261%0.611SS**Hα-helixtrans-91.8-38.6-179.4-53.2155.1177.5-99.1-8.3110.6D859 E863 A864 T865D859-R861 PolarHBondContact O-N 3.06Å; D859-R861 VanDerWaalsContact OD1-CA 3.26Å; D859-R861 WeakPolarHBondContact OD1-CA 3.18Å; D859-R861 WeakPolarHBondContact OD1-CB 3.36Å; D859-R861 PolarHBondContact OD1-N 3.29Å; R861-E863 VanDerWaalsContact C-N 3.32Å; R861-A864 PolarHBondContact O-N 3.44Å; R861-T865 WeakPolarHBondContact O-CG2 3.36Å; R861-T865 PolarHBondContact O-N 2.94Å; R861-T865 PolarHBondContact O-OG1 3.2Å; R861-T865 VanDerWaalsContact O-OG1 3.1Å
862E71.7Confident60.4Low104 Ų104121 Ų12149%0.48662%0.618SS.*Hα-helixtrans-62.3-40.2167.6-66.8-174.1166.600111.3L858 D859 T865 L866L858-E862 HydrophobicContact CB-CB 4.49Å; D859-E862 PolarHBondContact O-N 2.94Å; D859-E862 PolarHBondContact OD1-N 3.3Å; E862-T865 PolarHBondContact O-OG1 3.02Å; E862-T865 VanDerWaalsContact O-OG1 3.04Å; E862-L866 WeakPolarHBondContact O-CG 3.31Å; E862-L866 PolarHBondContact O-N 2.87Å
863E70.6Confident59.8Low111 Ų111121.3 Ų121.352%0.51962%0.623SS.*Hα-helixtrans-66.3-45.2173.2-172.2167.8-148.200111.4D859 R861 T865 L866 L867D859-E863 PolarHBondContact O-N 2.96Å; R861-E863 VanDerWaalsContact C-N 3.32Å; E863-T865 PolarHBondContact O-N 2.99Å; E863-L866 PolarHBondContact O-N 2.67Å; E863-L867 HydrophobicContact CG-CD1 4.14Å; E863-L867 WeakPolarHBondContact O-CG 3.39Å; E863-L867 PolarHBondContact O-N 3.36Å
864A68.9Low59.4Low48 Ų48122.3 Ų122.340%0.39763%0.627SS.*Hα-helixtrans-66.2-32.2177.500000114.2E860 R861 S868E860-A864 WeakPolarHBondContact O-CB 3.33Å; E860-A864 PolarHBondContact O-N 3.49Å; E860-A864 VanDerWaalsContact O-N 3.08Å; R861-A864 PolarHBondContact O-N 3.44Å; A864-S868 WeakPolarHBondContact O-CB 3.28Å; A864-S868 PolarHBondContact O-N 3.4Å; A864-S868 PolarHBondContact O-OG 2.92Å
865T69.3Low58Low82 Ų82120.1 Ų120.150%0.50364%0.638SS.*Hα-helixtrans-70.6-41.9174.848.90000111.7R861 E862 E863 L867 S868 D869R861-T865 WeakPolarHBondContact O-CG2 3.36Å; R861-T865 PolarHBondContact O-N 2.94Å; R861-T865 PolarHBondContact O-OG1 3.2Å; R861-T865 VanDerWaalsContact O-OG1 3.1Å; E862-T865 PolarHBondContact O-OG1 3.02Å; E862-T865 VanDerWaalsContact O-OG1 3.04Å; E863-T865 PolarHBondContact O-N 2.99Å; T865-L867 VanDerWaalsContact C-N 3.31Å; T865-L867 PolarHBondContact O-N 2.65Å; T865-S868 WeakPolarHBondContact O-CB 3.38Å; T865-S868 PolarHBondContact O-N 3.43Å; T865-D869 PolarHBondContact O-N 3.43Å
866L62.3Low56.8Low90 Ų90117.7 Ų117.747%0.47164%0.637SS.*Hα-helixtrans-61.2-39.1174-68.6171.1000112.1L858 E862 E863 S868L858-L866 HydrophobicContact CD1-CD1 4.12Å; E862-L866 WeakPolarHBondContact O-CG 3.31Å; E862-L866 PolarHBondContact O-N 2.87Å; E863-L866 PolarHBondContact O-N 2.67Å; L866-S868 VanDerWaalsContact C-N 3.29Å; L866-S868 PolarHBondContact O-N 3Å
867L58.8Low55.8Low111 Ų111123 Ų12358%0.58165%0.652SS**Hα-helixtrans-71.6-18.4173.8-70.4168.8000114E863 T865E863-L867 HydrophobicContact CG-CD1 4.14Å; E863-L867 WeakPolarHBondContact O-CG 3.39Å; E863-L867 PolarHBondContact O-N 3.36Å; T865-L867 VanDerWaalsContact C-N 3.31Å; T865-L867 PolarHBondContact O-N 2.65Å
868S55.2Low54.4Low82 Ų82123.1 Ų123.157%0.57365%0.652SS**Hα-helixtrans-83.6-33.9178.7-62.90000112.7A864 T865 L866A864-S868 WeakPolarHBondContact O-CB 3.28Å; A864-S868 PolarHBondContact O-N 3.4Å; A864-S868 PolarHBondContact O-OG 2.92Å; T865-S868 WeakPolarHBondContact O-CB 3.38Å; T865-S868 PolarHBondContact O-N 3.43Å; L866-S868 VanDerWaalsContact C-N 3.29Å; L866-S868 PolarHBondContact O-N 3Å
869D53Low52.7Low142 Ų142129.2 Ų129.276%0.75968%0.679SS**Hα-helixtrans-77.9-17-176.7-83.1-17.4000114T865 V871T865-D869 PolarHBondContact O-N 3.43Å; D869-V871 VanDerWaalsContact C-N 3.25Å; D869-V871 PolarHBondContact O-N 3.08Å
870E48.4Very low50.4Low158 Ų158130.1 Ų130.174%0.73869%0.691SS**THydrogen-bonded Turntrans-70.8-15.5177.2-72.3-160.8135.700113.9K872E870-K872 VanDerWaalsContact C-N 3.28Å; E870-K872 PolarHBondContact O-N 3.31Å
871V51.1Low48.6Very low125 Ų125127.1 Ų127.176%0.75869%0.688SS**SBendtrans-88.153.2-174.9-163.30000112.5D869D869-V871 VanDerWaalsContact C-N 3.25Å; D869-V871 PolarHBondContact O-N 3.08Å
872K46.2Very low46.5Very low194 Ų194123 Ų12384%0.84369%0.688SS**  trans-156.453.6172.4-125.2168.4-168.7172.80116.8E870E870-K872 VanDerWaalsContact C-N 3.28Å; E870-K872 PolarHBondContact O-N 3.31Å
873I38.8Very low44.4Very low157 Ų157125.9 Ų125.981%0.80571%0.706SS**  trans-102.5132.8163.6-60.4-179.1000109.5S875I873-S875 PolarHBondContact O-N 3.47Å
874P33.7Very low42.4Very low123 Ų123124.8 Ų124.880%0.79971%0.711SS**  trans-65.9131.3-175.2-23.134.3000114.4G876P874-G876 PolarHBondContact O-N 3.41Å
875S32.1Very low40.4Very low127 Ų127132.4 Ų132.489%0.88874%0.736SS**  trans-75.2112.6171.9550000111.2I873I873-S875 PolarHBondContact O-N 3.47Å
876G38Very low38.3Very low65 Ų65133.3 Ų133.367%0.6775%0.745SS**  trans-148.17.8-17600000116.6P874P874-G876 PolarHBondContact O-N 3.41Å
877W30.7Very low36.7Very low264 Ų264133.5 Ų133.5100%175%0.754SS**  trans-129.8132.2172-80.265.2000109
878T32.1Very low35.4Very low119 Ų119137.9 Ų137.973%0.7377%0.768SS**  trans-113.4154.6-167-37.30000110.9
879E31.1Very low34.8Very low174 Ų174139.3 Ų139.381%0.81378%0.776SS**  trans68.4149163.5-84.9155.4-13600117.4
880S26.8Very low33.5Very low94 Ų94137.9 Ų137.966%0.65778%0.777SS**  cis-141.9156.28.3-109.60000112.8
881S31.8Very low32.6Very low105 Ų105137.5 Ų137.573%0.73478%0.78SS**  trans23.5143.1142.6-59.50000121.3
882C26.1Very low31.7Very low108 Ų108137.2 Ų137.273%0.7378%0.783SS**  cis-162.3162.80.9-105.40000106.3
883L28.1Very low31.1Very low164 Ų164136 Ų13686%0.85978%0.781SS**  -15515160.7-81.8163.6000112.1
884S27.6Very low30.7Very low89 Ų89137.2 Ų137.262%0.62279%0.788SS**  trans-65.3147.5173.252.80000113.9
885F26.8Very low30.7Very low208 Ų208135.9 Ų135.991%0.91278%0.782SS**  -152.3121.3116.5-106.2-70.4000112.5
886S25.9Very low31.9Very low100 Ų100135.2 Ų135.270%0.69977%0.774SS**  trans-84.5161.6157.8-134.60000108.3
887S27.5Very low31.7Very low95 Ų95138.3 Ų138.366%0.66478%0.78SS**  cis-161.5123.616.352.90000113.3
888K32.8Very low32Very low202 Ų202134.3 Ų134.388%0.87877%0.773SS**  trans51.9-162.8150.2-37.6-171.4173.6-176.70116.2
889P42.1Very low32.2Very low113 Ų113133.8 Ų133.873%0.73477%0.774SS**  trans-127.8168-135.329.4-4.2000116.2
890S24.8Very low32.3Very low111 Ų111130.4 Ų130.478%0.77678%0.775SS**  175.8134.7128.2-80.40000114
891N31Very low32.6Very low151 Ų151131.2 Ų131.281%0.80778%0.78SS**  trans19.3135.2145.9-59.9-7.8000121.8
892S31.5Very low32.7Very low118 Ų118132.2 Ų132.283%0.82578%0.782SS**  trans-42.5141.315652.60000115
893Q33.9Very low33Very low169 Ų169132.5 Ų132.579%0.7978%0.78SS**  trans-96.5131.7164.4-71.3-172.1-600112.3
894L29.9Very low33.1Very low182 Ų182132.3 Ų132.395%0.95378%0.779SS**  trans-133.2137.2133.9-75.4178.6000107.3
895S34.7Very low34.7Very low96 Ų96133.4 Ų133.467%0.67178%0.784SS**  trans-103.6-174.7-166-43.10000111.4
896P57Low36.1Very low112 Ų112129.1 Ų129.173%0.72778%0.777SS**  cis-138.6168.6-5.740.7-24.5000116.4
897T32.7Very low36.4Very low130 Ų130130.8 Ų130.880%0.79879%0.788SS**  180113.6127.422.80000116.2
898Q38.2Very low36.7Very low181 Ų181129.7 Ų129.785%0.84679%0.791SS**  trans51.9122.1145.6-51.6-168.817.200126.3
899S36.4Very low36.8Very low108 Ų108128.8 Ų128.876%0.75579%0.79SS**  trans77.6116.1135.461.40000127.2
900A33.6Very low36.2Very low102 Ų102130.6 Ų130.684%0.84379%0.792SS**  trans74.3167.5137.200000123.4
901C31.9Very low36.5Very low111 Ų111134.5 Ų134.575%0.7580%0.795SS**  -169.5157.9-56.2-140.40000114.5
902T35.1Very low36.3Very low126 Ų126132.6 Ų132.677%0.77379%0.793SS**  trans57151.8160.953.30000121.6
903T31.9Very low36.1Very low115 Ų115132.7 Ų132.771%0.70679%0.792SS**  cis-167.2126.9-18.4-87.10000113.7
904L29.2Very low36Very low160 Ų160129.3 Ų129.384%0.83879%0.794SS**  trans46.4140148.6-60.4175.6000127.4
905P61.4Low36.1Very low112 Ų112125.6 Ų125.673%0.72778%0.783SS**  trans-111.4179.4155.842.7-33.1000113.5
906P56.5Low36.1Very low117 Ų117126.5 Ų126.576%0.7679%0.789SS**  -162.2-176.3106.943-23000119
907C33.3Very low35.2Very low136 Ų136124.5 Ų124.592%0.91979%0.789SS**  trans71.9153.7160.1-70.60000121.3
908G32.8Very low35.5Very low71 Ų71128 Ų12873%0.73282%0.819SS**  cis168.6132-12.900000117.7
909Q34.7Very low35.4Very low184 Ų184125.4 Ų125.486%0.8682%0.818SS**  trans67.8145.2153-91.7-167.420.300125.7
910I29.4Very low35.3Very low151 Ų151126.3 Ų126.377%0.77482%0.821SS**  trans89.2145.7151.8-70.3163000120.6
911K30.9Very low35.4Very low193 Ų193127.7 Ų127.784%0.83982%0.82SS**  trans-81.7151.6-164.9-50163.4-179.9174.50113.7
912S27.5Very low35.6Very low111 Ų111128.6 Ų128.678%0.77682%0.824SS**  175.3165.3115.251.50000113.7
913C28.1Very low35.7Very low119 Ų119128.8 Ų128.880%0.80483%0.827SS**  trans70.8125.4161.9-63.50000120.5
914A31Very low35.9Very low99 Ų99129.7 Ų129.782%0.81884%0.835SS**  trans28.1141136.100000120.2
915S32.3Very low36.4Very low104 Ų104127.6 Ų127.673%0.72784%0.835SS**  cis-166.4169.23950.20000113.1
916S33.6Very low34.5Very low114 Ų114128.8 Ų128.880%0.79784%0.843SS**  trans35.1128.2146.960.80000121.2
917G39Very low32.6Very low71 Ų71129.8 Ų129.873%0.73285%0.85SS**  trans150.770.5147.100000117.6
918S39.2Very low32.6Very low204 Ų204129.2 Ų129.2100%1.42784%0.844SS**  trans63.90161-55.50000118.6

Retrieved 918 of 918 residues in 773.7 ms (Link to these results)