A0A087XC60_POEFO Loading...

Reticulon

AlphaFold DB , UniProt , Accession A0A087XC60, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 628 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
1S36.9Very low34Very low175 Ų175136.8 Ų136.8100%1.22482%0.818SS**  0148.30-156.50000107.6
2A43.1Very low33.6Very low102 Ų102139.6 Ų139.684%0.84381%0.811SS**  trans-18.5122.2-172.600000115.6
3G33.1Very low34.2Very low70 Ų70136.8 Ų136.872%0.72280%0.801SS**  cis10387.94300000107
4D31.7Very low33.8Very low158 Ų158137.5 Ų137.585%0.84580%0.795SS**  cis79.6151.341.4-131.832.8000111.8
5P51.7Low33.7Very low90 Ų90137.4 Ų137.458%0.58479%0.791SS**  -136.6-160.2-109.940.4-19.3000113.9
6M27.8Very low33.9Very low170 Ų170137.3 Ų137.384%0.83779%0.787SS**  trans62131.6171.4-74.7-179.3-121.500116.2
7S32.9Very low34Very low118 Ų118138.6 Ų138.683%0.82579%0.791SS**  179.7167.179-64.40000108.1
8G26.2Very low34.1Very low65 Ų65134.3 Ų134.367%0.6778%0.782SS**  cis121.1106.14.700000112.4
9L30.2Very low34.1Very low164 Ų164135.5 Ų135.586%0.85979%0.785SS**  trans67.8120.6163.7-63.9161.7000119.8
10F29.3Very low34.1Very low173 Ų173134.4 Ų134.476%0.75978%0.779SS**  167134.9113.7-102.4-101.8000106.8
11R31.1Very low33.6Very low220 Ų220138.4 Ų138.483%0.8378%0.783SS**  cis-157.2157.17.5-151.4-174.2-153.3151.73.7110.7
12K29.5Very low33.4Very low170 Ų170136.1 Ų136.174%0.73976%0.762SS**  trans-81.9172.1160.5-154.1156.3172.31790107.9
13P40.7Very low32.7Very low104 Ų104135.7 Ų135.768%0.67575%0.753SS**  cis-151.4168.523.246.4-25.3000121.9
14M29.4Very low32.5Very low146 Ų146140.1 Ų140.172%0.71976%0.759SS**  trans45.4116135.6-62.8156.862.700122.3
15N31.3Very low32.3Very low136 Ų136141 Ų14173%0.72776%0.761SS**  -177.9135.2107.5-86.512.6000107.4
16D37.1Very low31.3Very low136 Ų136140.4 Ų140.473%0.72776%0.758SS**  61.1129.876-73.1-25.4000113.5
17D36.3Very low31.2Very low160 Ų160138.9 Ų138.986%0.85675%0.754SS**  cis-134.1172.33.8-72.4-96.2000109.4
18G35.7Very low31Very low61 Ų61141 Ų14163%0.62975%0.751SS**  cis-179.8172.11.200000112.1
19D33.4Very low31.1Very low157 Ų157142 Ų14284%0.8475%0.753SS**  trans-70160.6-168.5-51-78.5000115.6
20V34.2Very low30.9Very low112 Ų112138.7 Ų138.768%0.67974%0.743SS**  cis86.9129.917.2-165.90000116.3
21Y24.8Very low30.8Very low219 Ų219141.2 Ų141.286%0.85975%0.749SS**  trans64.2157.5-177.4-68.6-70.1000116.4
22T32.1Very low30.8Very low127 Ų127138.1 Ų138.178%0.77975%0.748SS**  cis-121.2159-5.444.80000109.4
23S27.8Very low31.4Very low94 Ų94135.3 Ų135.366%0.65775%0.748SS**  cis87111.435.8-150.50000116.1
24L28.7Very low30.7Very low162 Ų162137.1 Ų137.185%0.84875%0.752SS**  trans85.6153.8156.4-66.4167000122.8
25M29Very low30.7Very low177 Ų177136.5 Ų136.587%0.87275%0.751SS**  trans75.8155.9170.4-53.9-16376.800118.7
26S29.1Very low30.6Very low77 Ų77136.5 Ų136.554%0.53875%0.751SS.*  cis177.8140.1-35-174.40000108.5
27N26.7Very low30.2Very low139 Ų139139.7 Ų139.774%0.74376%0.758SS**  trans60.5169.2157.9-77.6-0.8000118.4
28Q29.1Very low30.5Very low162 Ų162137.1 Ų137.176%0.75775%0.75SS**  cis-168.2134.8-31.7169.6175.362.900110.5
29A28.1Very low30.1Very low86 Ų86138.5 Ų138.571%0.71175%0.75SS**  trans55.2154.1153.900000123.6
30S26.2Very low29.7Very low95 Ų95138.5 Ų138.566%0.66475%0.75SS**  trans64122.4154.3-57.90000120.3
31Y27.5Very low29.5Very low226 Ų226137.7 Ų137.789%0.88676%0.755SS**  175.7138.996.1-94.8-73.4000112
32L30.8Very low29.7Very low154 Ų154135.6 Ų135.681%0.80676%0.758SS**  trans-85167.1155.8-86.3167.7000108.3
33P41.2Very low29.5Very low112 Ų112133.1 Ų133.173%0.72776%0.758SS**  cis-150.1174.531.547-27.5000119.1
34D26.9Very low29.5Very low142 Ų142135.5 Ų135.576%0.75976%0.763SS**  trans42.2177.9141.7-113.1-57.8000127
35D28.3Very low29.3Very low132 Ų132135.7 Ų135.771%0.70676%0.757SS**  trans88.883.8160.7-94-61.5000121
36L29.6Very low29.3Very low137 Ų137133.3 Ų133.372%0.71775%0.753SS**  36.4123.4117.3-73150.3000120.2
37K28.2Very low29.3Very low203 Ų203133.5 Ų133.588%0.88377%0.767SS**  -171.3165.5102.6-98.1-155.2171172.20113.2
38P42.2Very low29.4Very low105 Ų105134.8 Ų134.868%0.68277%0.774SS**  trans-135-157.3-147.944.7-26.8000114.7
39S27.3Very low29.4Very low91 Ų91131.1 Ų131.164%0.63677%0.771SS**  trans109.3145.6145.6780000118.8
40N27Very low29.5Very low156 Ų156136.9 Ų136.983%0.83478%0.776SS**  trans73.6139156.8-60.7-15.2000118.2
41A29.1Very low29.5Very low95 Ų95137.7 Ų137.779%0.78578%0.782SS**  cis-156.8170.9-10.400000112.6
42L29Very low29.4Very low176 Ų176135.2 Ų135.292%0.92178%0.776SS**  trans-54.8145.8176.4-168.274.5000114.1
43G27.4Very low29.2Very low75 Ų75133 Ų13377%0.77377%0.769SS**  trans-161.4143.1168.700000110.4
44D27.4Very low28.7Very low144 Ų144132.4 Ų132.477%0.7777%0.767SS**  trans-138.4178.1-161.1-165.37.4000112.1
45F26.4Very low28.8Very low165 Ų165134.1 Ų134.172%0.72477%0.768SS**  trans83.6108167.3-90.2-111.5000121.5
46T28.1Very low28.9Very low128 Ų128133.5 Ų133.579%0.78577%0.77SS**  46.5139.6126.664.70000123.6
47G28.6Very low28.8Very low81 Ų81135.7 Ų135.784%0.83577%0.773SS**  trans173.4136.2155.300000114.6
48D28.2Very low28.8Very low165 Ų165133.1 Ų133.188%0.88278%0.775SS**  trans-112.2161.2-169.3-99.7-57000116
49A30.6Very low28.2Very low86 Ų86131.9 Ų131.971%0.71177%0.774SS**  trans70.7166.6163.600000117.2
50Y30.3Very low28.3Very low206 Ų206133 Ų13381%0.80878%0.781SS**  cis-159.1164.221.227.4-104.4000114.9
51S24.8Very low28.3Very low113 Ų113131.5 Ų131.579%0.7977%0.773SS**  trans83.9157.7152810000121.8
52F25.2Very low28.3Very low173 Ų173135.7 Ų135.776%0.75977%0.774SS**  cis-170.5107.6-36.2179.1-103.2000113.6
53T27.1Very low29.5Very low108 Ų108132.4 Ų132.466%0.66376%0.763SS**  trans62.6171.8164.278.90000117.5
54S30.8Very low29.6Very low99 Ų99135.7 Ų135.769%0.69276%0.763SS**  cis-143.8171.114.6-91.30000109.7
55K28.4Very low29.6Very low178 Ų178135.4 Ų135.477%0.77476%0.762SS**  cis-161.7156.319.8-139.1165-174.1174.20111.5
56T30.6Very low29.9Very low120 Ų120133.2 Ų133.274%0.73676%0.762SS**  trans33.112215447.80000120.3
57K27.6Very low30.9Very low182 Ų182131.7 Ų131.779%0.79175%0.754SS**  cis67.7112.431.3-166.7-174.2177.9179.70117
58T29.3Very low31.1Very low149 Ų149137.1 Ų137.191%0.91476%0.755SS**  trans-147.9131139.510.80000109.7
59A29.7Very low31Very low80 Ų80134 Ų13466%0.66175%0.746SS**  trans-167132.6175.900000109.9
60S28.8Very low30.9Very low114 Ų114137.4 Ų137.480%0.79775%0.751SS**  trans175153.3166.348.20000112.3
61N27.6Very low31Very low125 Ų125135.8 Ų135.867%0.66876%0.756SS**  cis176.6131.6-37.7-107.910.6000110
62F28.8Very low31.2Very low182 Ų182133.9 Ų133.980%0.79875%0.754SS**  trans58.2169.8154-60.2-58.2000118.8
63P53.4Low31.7Very low107 Ų107130.9 Ų130.970%0.69576%0.755SS**  cis-116.5-149.7-6.137.9-17.3000110.7
64D30.5Very low31.9Very low145 Ų145132.7 Ų132.778%0.77576%0.76SS**  cis-160176.10.9-137.3-35000113.1
65D27.5Very low32.3Very low138 Ų138136.4 Ų136.474%0.73876%0.764SS**  trans68.9163.9155-118.5-37.9000123.3
66T32.3Very low32.5Very low118 Ų118134.2 Ų134.272%0.72477%0.765SS**  trans-145.2-167.8-149.465.90000112.9
67P49.1Very low32.5Very low96 Ų96137.6 Ų137.662%0.62377%0.773SS**  cis-141.8-177.5-5.244.6-26.9000117.7
68K32Very low32.8Very low195 Ų195133.9 Ų133.985%0.84877%0.77SS**  trans72.9147.9157.4-70.6165.6-175171.70119.2
69S26.6Very low32.8Very low100 Ų100136.9 Ų136.970%0.69977%0.766SS**  cis-173.6139.4-17.150.50000113
70L29.4Very low32.8Very low157 Ų157140.6 Ų140.682%0.82278%0.775SS**  trans162.7102.8144.4-90.2163.6000107.7
71L31.9Very low32.9Very low172 Ų172143.8 Ų143.890%0.90177%0.77SS**  72.6110.883.9-157.683.6000113
72G27.6Very low33.9Very low73 Ų73146 Ų14675%0.75378%0.779SS**  cis-175.5-178.5-1.500000115.4
73S36.1Very low34.2Very low111 Ų111141.7 Ų141.778%0.77676%0.764SS**  trans-41.9165.2171.5-810000118.5
74D31.1Very low33.5Very low145 Ų145143.6 Ų143.678%0.77577%0.767SS**  cis-157.2-168.9-4.1-128-64.7000113.9
75K39.1Very low33.7Very low178 Ų178140.9 Ų140.977%0.77476%0.76SS**  trans-84.6176174.7-76.9-179173.3176.40115.8
76T34.3Very low34Very low131 Ų131144 Ų14480%0.80477%0.769SS**  trans74.7136.2165.865.40000115
77E30.6Very low34Very low192 Ų192141.8 Ų141.890%0.89777%0.77SS**  -153.1-161.663.5-86.8-173.6135.900114.2
78S33.6Very low33.1Very low103 Ų103146.6 Ų146.672%0.7278%0.784SS**  trans-131.1160.8-173.360.30000112.6
79Y28.7Very low33Very low212 Ų212146.1 Ų146.183%0.83179%0.785SS**  trans59.8119.2176.6-92.9-100.2000116.9
80N30Very low33.3Very low159 Ų159152.9 Ų152.985%0.8580%0.795SS**  -162.2166.1103.9-113-72.8000114.7
81Y31.4Very low33.4Very low180 Ų180155.3 Ų155.371%0.70680%0.802SS**  trans-97.8141.5179.4164.3-90.6000109.7D83Y81-D83 HydrophobicContact CE1-CB 3.65Å
82M47.7Very low33.2Very low171 Ų171150.1 Ų150.184%0.84279%0.79SS**  trans-136.294.4168.4-88.6-68.1176.200109.4
83D35Very low33.2Very low93 Ų93152.6 Ų152.650%0.49780%0.796SS.*  trans-75.9140151.7175.728.3000108.3Y81Y81-D83 HydrophobicContact CE1-CB 3.65Å
84I39.1Very low32.8Very low146 Ų146158.1 Ų158.175%0.74980%0.8SS**  trans-129.6102.5169.4-63-176.3000107.2
85S34.7Very low32.6Very low89 Ų89155.5 Ų155.562%0.62280%0.798SS**  trans-73.8147.7-176.2-34.10000112
86H34Very low32.1Very low203 Ų203152.1 Ų152.194%0.9480%0.797SS**  trans-102.9128.4148.5-94.9-83.2000108.2
87G31.2Very low32Very low72 Ų72150.3 Ų150.374%0.74280%0.795SS**  trans-171.192.1-177.300000115.1
88E31.9Very low31.9Very low197 Ų197148.3 Ų148.392%0.92179%0.791SS**  trans-150.2151.7145.2-101.9175.1130.300105.4
89E30.2Very low31.9Very low185 Ų185150.2 Ų150.286%0.86479%0.792SS**  cis-124.6179.522.7-55.9173139.500112.9
90R32.3Very low32.1Very low241 Ų241146.1 Ų146.191%0.90979%0.785SS**  trans-139.5112.3172.3-99.2-168.3175.4-167.11.9114.4
91H31.7Very low32.3Very low208 Ų208145.2 Ų145.296%0.96378%0.779SS**  trans-137.6145145.8-78.8-71.4000107.1
92G27Very low32.5Very low64 Ų64143.2 Ų143.266%0.6679%0.785SS**  cis158.3140.7-6.700000109.9
93S27.5Very low31.7Very low125 Ų125138.4 Ų138.487%0.87478%0.779SS**  trans66.1161.1-177.6-67.30000115.7
94R27.5Very low31.4Very low227 Ų227145.9 Ų145.986%0.85780%0.801SS**  cis177.7129.3-23.4167.2177.9173.9162.3-1.1108.1
95A28.2Very low31.1Very low89 Ų89149.3 Ų149.374%0.73681%0.806SS**  trans63.4172.6162.800000115.4
96S28.1Very low31.4Very low108 Ų108152 Ų15276%0.75581%0.812SS**  cis-172.2157-27.846.60000109.9
97A31.1Very low31.1Very low93 Ų93149.2 Ų149.277%0.76980%0.804SS**  trans67.6145.6176.900000114.4
98D29.9Very low31.3Very low149 Ų149152.7 Ų152.780%0.79781%0.805SS**  cis82.1146.720.1-156.918.3000115.2
99L33.8Very low31.7Very low144 Ų144150.6 Ų150.675%0.75480%0.801SS**  trans69146.7-175.4-58.8170.8000117.6
100D32.1Very low32.5Very low125 Ų125147.5 Ų147.567%0.66880%0.796SS**  cis-166.6162.8-30.6-153.7-1.8000112.1
101L34.9Very low32.4Very low141 Ų141139.7 Ų139.774%0.73879%0.791SS**  trans64.8158.9139.7-136.467.8000124.6
102V34.7Very low32.3Very low137 Ų137132.8 Ų132.883%0.8378%0.776SS**  trans84123.5159.9-166.10000118.6
103G30.4Very low32.8Very low70 Ų70137.3 Ų137.372%0.72279%0.785SS**  trans-151.8160.2157.500000110.8
104R29.7Very low33.4Very low250 Ų250140.1 Ų140.194%0.94378%0.784SS**  trans-160.5135.1169.5-150.8173.7-170178.32.1114.7
105Y33.2Very low33.8Very low218 Ų218138.3 Ų138.386%0.85579%0.786SS**  trans-46.1173168.5-83.3-102.4000119.4
106I40.2Very low34.1Very low147 Ų147141.1 Ų141.175%0.75479%0.788SS**  trans89.9142.4158.7-50.5-154.7000113.8
107D27.6Very low34.6Very low144 Ų144144.7 Ų144.777%0.7779%0.793SS**  cis-145-171.213.5-138.2-32.5000115.7
108N36.4Very low34.9Very low145 Ų145148 Ų14878%0.77579%0.793SS**  trans-105.1152172.8-69.1-48.9000115.2
109N39.4Very low35.2Very low153 Ų153150.1 Ų150.182%0.81880%0.798SS**  trans42.7138.1146.2-139.546.1000121.8
110P47.3Very low35.5Very low119 Ų119150.2 Ų150.277%0.77380%0.795SS**  -158.5161.49340.7-21.9000119
111G29Very low35.8Very low77 Ų77153.3 Ų153.379%0.79481%0.805SS**  trans70.7161.3154.100000118.9
112G31.1Very low35.9Very low64 Ų64153 Ų15366%0.6680%0.8SS**  cis158.7129.9-10.100000112.8
113D36.2Very low35.5Very low159 Ų159153.7 Ų153.785%0.8580%0.799SS**  trans63160.4166.7-39.8-36.3000116.5
114E40Very low35.8Very low183 Ų183157.4 Ų157.486%0.85580%0.801SS**  cis-81.4-126.8-1-61.386.7177.600115.4
115E35.9Very low35.8Very low189 Ų189149.2 Ų149.288%0.88379%0.794SS**  cis-156153.720.7-176.7174.1-13900110.6
116D35.8Very low36.2Very low148 Ų148144.9 Ų144.979%0.79179%0.793SS**  trans-86.5173.9-171.1-47.6-57.5000114.4
117E37.8Very low35.7Very low183 Ų183142.2 Ų142.286%0.85579%0.793SS**  cis-153.9162.811.3-148.1166.9-136.700111.1
118E37.3Very low36Very low163 Ų163144 Ų14476%0.76280%0.801SS**  trans-66179.9-171.4-70.1153.9179.100115.8
119E37.1Very low35.7Very low194 Ų194140.5 Ų140.591%0.90780%0.8SS**  cis-149.9-179.842.6-59.2172.5157.600112.3
120E40.3Very low35.4Very low146 Ų146138.7 Ų138.768%0.68280%0.799SS**  -163.5-157-60.2-142.5-169.6-151.900110.4E122E120-E122 HydrophobicContact CG-CG 4.27Å
121E36.9Very low35.1Very low190 Ų190141.6 Ų141.689%0.88880%0.802SS**  trans73.994.1-169.5-64.4-159.2164.400115.7
122E37Very low35.2Very low135 Ų135143.2 Ų143.263%0.63180%0.801SS**  cis76.7101.234-70.1-94.6107.200117.4E120E120-E122 HydrophobicContact CG-CG 4.27Å
123N27.8Very low35.4Very low150 Ų150149.3 Ų149.380%0.80281%0.81SS**  -169.4166.8113.4-131.2-88.9000114.3
124L35.1Very low35.5Very low149 Ų149147.5 Ų147.578%0.7881%0.807SS**  trans-138.6124.6-161-67.4172.2000117.6
125G31.1Very low35.2Very low77 Ų77146.7 Ų146.779%0.79480%0.797SS**  trans70.8-172.615100000119.1
126P40.1Very low35.6Very low128 Ų128143.6 Ų143.683%0.83179%0.791SS**  cis-137176.2-11.642.2-26.1000116.2
127A29.5Very low35.8Very low91 Ų91144.9 Ų144.975%0.75279%0.792SS**  trans77.7129.6150.400000123.6
128L35Very low36.1Very low180 Ų180142.1 Ų142.194%0.94278%0.783SS**  trans34114.5143.7-63.5170.3000121.2
129G29Very low36.4Very low73 Ų73140.2 Ų140.275%0.75379%0.785SS**  trans-177.1114.7161.900000117.6
130S34.7Very low36.4Very low114 Ų114136.3 Ų136.380%0.79778%0.779SS**  trans13112152.254.40000122.4
131H39.6Very low36.5Very low181 Ų181136.5 Ų136.584%0.83879%0.785SS**  51.490.9117.2-162.6-66.8000119.9
132S32.4Very low37.2Very low111 Ų111135.5 Ų135.578%0.77678%0.78SS**  trans-156.7149.8150.351.60000112.6
133F35.1Very low37.6Very low191 Ų191138.5 Ų138.584%0.83879%0.794SS**  trans-111.8132.1166-67.8-97.7000108Y135F133-Y135 PolarHBondContact O-N 3.13Å
134P37.1Very low38.4Very low121 Ų121137.1 Ų137.179%0.78679%0.786SS**  trans-78.3101.5156.831.2-27.6000107.3
135Y35.5Very low38.5Very low167 Ų167136 Ų13666%0.65578%0.781SS**  58.7115.192.2-162.6-108.5000113.4F133 D138F133-Y135 PolarHBondContact O-N 3.13Å; Y135-D138 WeakPolarHBondContact CE2-OD2 3.45Å; Y135-D138 PolarHBondContact OH-OD2 3.48Å
136V42.5Very low39.1Very low123 Ų123139.7 Ų139.775%0.74578%0.782SS**PPolyproline II helixtrans-103.6140.2169.2175.50000106.1D138V136-D138 PolarHBondContact O-N 2.95Å
137E41.3Very low39.1Very low176 Ų176144.8 Ų144.882%0.82279%0.787SS**PPolyproline II helixtrans-67.8122.7-179.4-68170.1116.500111.1
138D44Very low39.7Very low124 Ų124149.5 Ų149.566%0.66379%0.785SS**PPolyproline II helixtrans-75.3125.8178.7-64.6-70000110.9Y135 V136Y135-D138 WeakPolarHBondContact CE2-OD2 3.45Å; Y135-D138 PolarHBondContact OH-OD2 3.48Å; V136-D138 PolarHBondContact O-N 2.95Å
139P42.4Very low39.9Very low123 Ų123145.5 Ų145.580%0.79977%0.772SS**PPolyproline II helixtrans-71.4146.6171.129.5-33.6000111.6
140S36.8Very low40.4Very low113 Ų113153 Ų15379%0.7978%0.78SS**PPolyproline II helixtrans-70.7143.2-167.550.80000116E142S140-E142 PolarHBondContact O-N 2.9Å; S140-E142 VanDerWaalsContact O-N 3.1Å
141D44.2Very low40.7Very low150 Ų150157.8 Ų157.880%0.80278%0.78SS**THydrogen-bonded Turntrans-85.940.9-163.6-163.226.7000115.8
142E50.1Low40.3Very low168 Ų168156.3 Ų156.379%0.78578%0.778SS**THydrogen-bonded Turntrans-105.7-30-170.8-149.479.8-13200114.9S140S140-E142 PolarHBondContact O-N 2.9Å; S140-E142 VanDerWaalsContact O-N 3.1Å
143E46Very low40.4Very low198 Ų198159.5 Ų159.593%0.92579%0.786SS**SBendtrans-91.9-1.6-170.9-78.9-151.6113.600116.7N145E143-N145 PolarHBondContact O-N 3.29Å
144L44.3Very low40.3Very low121 Ų121154.3 Ų154.363%0.63479%0.786SS**SBendtrans-91.35.1-168.2-151.6113.9000116.2
145N37.8Very low40Very low127 Ų127151.6 Ų151.668%0.67978%0.78SS**SBendtrans-86.1-34.5-168.2-82-58.3000115.7E143 Y147E143-N145 PolarHBondContact O-N 3.29Å; N145-Y147 PolarHBondContact O-N 2.78Å
146D43.3Very low40.1Very low153 Ų153150.4 Ų150.482%0.81879%0.79SS**THydrogen-bonded Turntrans-74.8-20.4-168.9-84.5-6.6000114.9
147Y41.2Very low40.1Very low236 Ų236149.5 Ų149.593%0.92579%0.787SS**THydrogen-bonded Turntrans-91.43.8-174.9-130-93000115.5N145N145-Y147 PolarHBondContact O-N 2.78Å
148R40.9Very low39.8Very low190 Ų190149.5 Ų149.572%0.71779%0.787SS**SBendtrans-105.9-6-171.4-140.6171.3-168.91390.8115.4Y150R148-Y150 PolarHBondContact O-N 2.86Å
149S39Very low39.2Very low96 Ų96149.9 Ų149.967%0.67179%0.794SS**THydrogen-bonded Turntrans-75.1-14.3-166.654.70000116.6
150Y39.7Very low38.7Very low231 Ų231148.3 Ų148.391%0.90679%0.791SS**THydrogen-bonded Turntrans-106.614.9-175.8-94.8-81.2000115.9R148R148-Y150 PolarHBondContact O-N 2.86Å
151R41.2Very low38.5Very low214 Ų214148.7 Ų148.781%0.80879%0.794SS**SBendtrans-126.6120.5178-149.5170.2-168.2157.53.2111.7
152N30.9Very low38.4Very low149 Ų149147.2 Ų147.280%0.79779%0.793SS**  trans85.981.5179.4-47.2-71.7000116.9
153L35.3Very low37.5Very low179 Ų179146 Ų14694%0.93780%0.796SS**  -96.2139.5126.7-11270.1000107.8
154G31.8Very low36.6Very low82 Ų82144.6 Ų144.685%0.84579%0.787SS**  trans-82.8-180174.200000112.9
155G31.6Very low36.4Very low63 Ų63147.2 Ų147.265%0.64980%0.8SS**  cis161.993.5-4.200000113.3
156T38.2Very low36.1Very low142 Ų142145.3 Ų145.387%0.87179%0.793SS**  trans68.5166.2173.679.10000114.9
157P42.4Very low35.7Very low104 Ų104146.1 Ų146.168%0.67580%0.796SS**  cis-135.2163.35.742.2-25.3000118.7
158Q34Very low35.3Very low176 Ų176141.6 Ų141.682%0.82279%0.794SS**  trans76.2144.9148.8-79.4-173.377.200123.6
159T31.3Very low34.9Very low132 Ų132140.1 Ų140.181%0.8180%0.795SS**  trans98.6130.8155.972.10000121.7
160A33.6Very low34.5Very low90 Ų90141.5 Ų141.574%0.74480%0.804SS**  trans69.8100.8142.600000123.4
161S31.6Very low34Very low122 Ų122134.8 Ų134.885%0.85379%0.791SS**  trans71151132.2-102.30000122.1
162P41.4Very low33.4Very low119 Ų119133.5 Ų133.577%0.77379%0.792SS**  trans-94.6153.6-176.337.6-34.7000113.8
163V31.3Very low33.3Very low142 Ų142131.1 Ų131.186%0.86179%0.792SS**  trans-110.4128166.2178.20000110.3
164K28.6Very low33.1Very low169 Ų169130.2 Ų130.274%0.73578%0.783SS**  trans-87.6109.8-176.7174.7-165.5172.3-173.50110.5T166K164-T166 WeakPolarHBondContact CE-OG1 3.28Å; K164-T166 PolarHBondContact O-N 3.24Å; K164-T166 PolarHBondContact O-OG1 3.43Å
165I38.6Very low33.5Very low175 Ų175131.9 Ų131.990%0.89778%0.779SS**  trans-68.1122.4169.1-57.1176.7000108.3
166T32.2Very low33.4Very low87 Ų87137.6 Ų137.653%0.53479%0.789SS.*  trans-133148.8175.9-35.40000108.1K164K164-T166 WeakPolarHBondContact CE-OG1 3.28Å; K164-T166 PolarHBondContact O-N 3.24Å; K164-T166 PolarHBondContact O-OG1 3.43Å
167L35.9Very low33Very low170 Ų170139.4 Ų139.489%0.8979%0.788SS**  trans-59.2140.5-176.2-73.968.8000111.8
168T31.7Very low32.3Very low142 Ų142141.9 Ų141.987%0.87179%0.794SS**  trans-99.1103.5162.347.40000110.2
169E32.5Very low33Very low158 Ų158138.6 Ų138.674%0.73879%0.788SS**  trans-55.9146.8159.7-178.7-167.3122.800110.9S171E169-S171 VanDerWaalsContact OE1-CB 3.25Å; E169-S171 WeakPolarHBondContact OE1-CB 3.33Å; E169-S171 PolarHBondContact OE1-OG 2.87Å
170S30.6Very low33.7Very low125 Ų125137.6 Ų137.687%0.87478%0.784SS**  trans-111.181.5175.362.30000111.6
171S28.7Very low34.4Very low91 Ų91138.7 Ų138.764%0.63678%0.784SS**  trans-107149.8173.648.40000112.4E169E169-S171 VanDerWaalsContact OE1-CB 3.25Å; E169-S171 WeakPolarHBondContact OE1-CB 3.33Å; E169-S171 PolarHBondContact OE1-OG 2.87Å
172K28.9Very low34.3Very low187 Ų187139.7 Ų139.781%0.81378%0.784SS**  trans-80.6144-168.9177.6-169.7172.6-162.40112
173A28.3Very low33.7Very low98 Ų98138 Ų13881%0.8178%0.781SS**  trans-132.9156.2169.500000112.9
174E31.2Very low33.5Very low160 Ų160137.6 Ų137.675%0.74878%0.778SS**  trans-141.7147.1-174.2-173.6175.1107.800108.8
175P40.2Very low33.6Very low117 Ų117135.2 Ų135.276%0.7678%0.783SS**  trans-88.7115.2-173.732.2-32.7000114.3
176Q29.3Very low33.3Very low183 Ų183133.3 Ų133.386%0.85577%0.77SS**  trans25.9133.3140.7-55.9175.4-10.300118.4
177Q30.1Very low33.3Very low181 Ų181137.5 Ų137.585%0.84678%0.776SS**  -170.8170.453.2-165.2162.3-22.900112.9
178L28.6Very low33.2Very low155 Ų155136.7 Ų136.781%0.81277%0.768SS**  trans-96.3178.6-173.1-101.272.3000114.4
179P48.3Very low33Very low107 Ų107136 Ų13670%0.69576%0.759SS**  cis-136-139.3-34.235.2-11.1000112.1
180P46.9Very low33.1Very low112 Ų112135.1 Ų135.173%0.72776%0.764SS**  -117.6-150.7-87.836.1-13.4000112.9
181P47.9Very low32.9Very low112 Ų112136.2 Ų136.273%0.72776%0.759SS**  -119.2178.8-80.340.3-25.4000113.1
182V29Very low33Very low143 Ų143136.7 Ų136.787%0.86776%0.762SS**  trans174.5158.6137.6145.80000109.6
183A28.2Very low33.1Very low85 Ų85135 Ų13570%0.70277%0.767SS**  trans-107.2-161.7-177.100000112.8
184V28.1Very low33.1Very low132 Ų132134 Ų13480%0.877%0.766SS**  trans97.8130.5174.4-174.60000115.3E186V184-E186 HydrophobicContact CG1-CG 4.02Å
185S31.2Very low33.3Very low120 Ų120135 Ų13584%0.83977%0.771SS**  trans-104.1113.4174157.60000109.5
186E30.4Very low32.9Very low135 Ų135138.6 Ų138.663%0.63178%0.778SS**  trans-157.3134.9177.6-86.8-140.2-46.500108.9V184V184-E186 HydrophobicContact CG1-CG 4.02Å
187R33.7Very low33Very low174 Ų174133.3 Ų133.366%0.65777%0.773SS**  cis-150.3-152-15-41.2-177.6-156.580.522106.7
188E32.5Very low33.3Very low154 Ų154130.9 Ų130.972%0.7277%0.77SS**  cis-149.5-102.1-930.2-157.791.400110.8
189N28.3Very low33.8Very low126 Ų126129.4 Ų129.467%0.67477%0.769SS**  trans-170.6126.4-158.8165.237.3000111.2
190V33.8Very low33Very low140 Ų140130 Ų13085%0.84877%0.771SS**  trans-160.8151.3145-105.50000112.3
191L27.9Very low32.6Very low149 Ų149130.6 Ų130.678%0.7877%0.773SS**  trans-79.5179.2170.2-50104.6000109.7
192S30.1Very low32Very low100 Ų100131 Ų13170%0.69977%0.774SS**  cis-167.9164.820.6-13.50000111.5
193V31Very low32.3Very low151 Ų151131.1 Ų131.192%0.91577%0.768SS**  trans42122.4140.3-177.50000119.9
194G28.7Very low32.6Very low77 Ų77132 Ų13279%0.79477%0.769SS**  trans-177.2128.2160.300000113.6
195Q34.8Very low33.4Very low181 Ų181133.9 Ų133.985%0.84677%0.77SS**  trans-94.2153.2179.5-68.7176.3-26.500112.3
196Q33.1Very low34.5Very low193 Ų193133.7 Ų133.790%0.90277%0.765SS**  trans67.9138.5137.5-177.517681.200119.7
197G30.4Very low34.7Very low72 Ų72136.1 Ų136.174%0.74278%0.777SS**  trans150.7127.2164.100000114.8
198V36.6Very low34.7Very low131 Ų131135.3 Ų135.379%0.79479%0.785SS**  trans-115.3147.1168.7-178.40000107.8
199P39.3Very low34.8Very low123 Ų123134.5 Ų134.580%0.79979%0.786SS**  trans-110.7143.2155.434.9-26.8000112.7
200T31.4Very low35.5Very low120 Ų120133.6 Ų133.674%0.73679%0.79SS**  trans-125.7-167.3-179-48.60000108.4
201V38Very low36.6Very low125 Ų125133 Ų13376%0.75879%0.788SS**  trans79.7130.8158.7167.30000115.2
202T35.7Very low36.9Very low121 Ų121130.3 Ų130.374%0.74279%0.788SS**  cis-162.5178.1-4.523.50000108.7
203L36.1Very low37Very low144 Ų144131.7 Ų131.775%0.75479%0.792SS**  cis-128.6-103.86.4-147.5176.1000112.6
204S34.1Very low37.3Very low104 Ų104130.3 Ų130.373%0.72778%0.784SS**  cis-162.6150.6-0.252.10000112.3
205E43.8Very low38.2Very low172 Ų172131.9 Ų131.980%0.80478%0.78SS**  trans-149.9170.4-166.6-93.4175.8120.200110.8
206P54.8Low38.1Very low115 Ų115130.8 Ų130.875%0.74778%0.78SS**  cis-116.7-150.926.222.83.7000113.6
207E35.2Very low38.1Very low187 Ų187125.4 Ų125.487%0.87477%0.769SS**  cis-150.8179.525.9-67.9179.1109.600114.2
208D34.3Very low38.2Very low157 Ų157127.2 Ų127.284%0.8477%0.771SS**  trans-65.4172.3178.7-95.9-42.5000114.8
209D32.9Very low39Very low136 Ų136126.3 Ų126.373%0.72777%0.767SS**  cis-146.3170.919.4-162.1-22.7000110.8
210S44.3Very low38.6Very low108 Ų108126.5 Ų126.576%0.75577%0.766SS**  trans-159.6135.4174.9-770000113.8
211P56.5Low38.6Very low126 Ų126130.6 Ų130.682%0.81877%0.768SS**  -146.9160.1108.337.9-23000112.9
212A34.6Very low38.2Very low94 Ų94132.8 Ų132.878%0.77777%0.768SS**  cis-146.5-161.69.100000108.5
213T32Very low37.8Very low128 Ų128135.1 Ų135.179%0.78577%0.77SS**  cis-156.5-17711-161.60000112.2
214T36.4Very low37.5Very low122 Ų122137.8 Ų137.875%0.74878%0.776SS**  trans-149.8-175.8-172.361.60000109.9
215P48.8Very low37.1Very low110 Ų110138.7 Ų138.771%0.71478%0.782SS**  cis-114.2162.6-9.6917.3000113.3
216N32.3Very low36.5Very low158 Ų158134.9 Ų134.985%0.84577%0.774SS**  7113857.7-141.922.4000112.3
217A32.4Very low35.3Very low80 Ų80137.6 Ų137.666%0.66178%0.777SS**  cis-153.81739.600000113.4
218S32.3Very low35Very low111 Ų111135 Ų13578%0.77677%0.769SS**  trans-83.9-148.3166-43.30000110.1
219P53.1Low34.8Very low112 Ų112134.5 Ų134.573%0.72776%0.764SS**  cis-142-155.4-2.936.5-11.2000115.2
220T31.8Very low34.6Very low127 Ų127137.4 Ų137.478%0.77977%0.77SS**  trans99143.3151.3-45.20000117.3
221R30.3Very low33.9Very low205 Ų205141.1 Ų141.177%0.77477%0.773SS**  cis-169.3152.9-33.4-179.4174.3-178.5-119.410.5109.1
222K30Very low32.6Very low172 Ų172140.7 Ų140.775%0.74877%0.767SS**  trans-22.6142.2168.9-44.8175.4180-173.90117.2
223Q28.3Very low32.2Very low169 Ų169143.9 Ų143.979%0.7977%0.767SS**  172.6179.695.1-124.7160.8-49.900113.4
224F29Very low32Very low201 Ų201143.6 Ų143.688%0.88277%0.77SS**  trans-79.7152.8-174.7-56.9-101.4000114.5
225S25.1Very low31.6Very low123 Ų123141.9 Ų141.986%0.8678%0.776SS**  -167.4175.9119.1-152.80000112.1
226S32Very low30.7Very low91 Ų91146.2 Ų146.264%0.63678%0.784SS**  trans-95.4173.2-163.3-52.50000117.2
227E29.6Very low31.3Very low173 Ų173144 Ų14481%0.80878%0.778SS**  trans88.7142.3140.9-81.7151.9125.100123.4
228D28Very low31.3Very low131 Ų131144.6 Ų144.670%0.70178%0.783SS**  trans62.396.6157.9-73-17.3000125.9
229M30.3Very low31.1Very low148 Ų148144.5 Ų144.573%0.72979%0.789SS**  67.2105.499.5-170.1161.954.800121.7
230F30.3Very low30.1Very low196 Ų196145.1 Ų145.186%0.8680%0.795SS**  trans49.7114.6141.2-86.8-97.2000122.2
231K29Very low30.1Very low187 Ų187150.5 Ų150.581%0.81380%0.801SS**  -171.3136.4116.7-105.8-176.9175177.30111.2
232V28.8Very low30.4Very low116 Ų116145.5 Ų145.570%0.70380%0.798SS**  60.9131.493.1163.70000113.4
233E25.5Very low30.6Very low162 Ų162144.5 Ų144.576%0.75780%0.801SS**  cis-172.5165.2-7.8177.6174.7155.500110.2
234S28.1Very low30.8Very low122 Ų122142.6 Ų142.685%0.85380%0.801SS**  trans74.1144.5163.577.90000119.2
235G28.5Very low30.8Very low85 Ų85135.8 Ų135.888%0.87679%0.788SS**  trans153.956.4179.800000116.9
236K29.8Very low31.9Very low202 Ų202136.2 Ų136.288%0.87879%0.788SS**  trans-101.4179.6177.6-129.4-172.4174.3176.80109.8
237P45.9Very low31.9Very low111 Ų111141.4 Ų141.472%0.72180%0.799SS**  cis-134.9-147.7-8.547.1-27.7000111.8
238A31Very low32.8Very low93 Ų93139.5 Ų139.577%0.76980%0.801SS**  cis-158112.4-400000112.5
239A29.9Very low32.9Very low109 Ų109136.6 Ų136.690%0.90180%0.803SS**  trans-166138.215300000109.4
240S31.1Very low32.8Very low124 Ų124135.5 Ų135.587%0.86781%0.81SS**  cis-130.4-165.3-1.260.40000111.9
241R32.7Very low33.3Very low240 Ų240137.1 Ų137.191%0.90681%0.81SS**  trans-125.2168.4-166-90.9-178.4167.7179.8-5111
242S35Very low33.4Very low101 Ų101135.9 Ų135.971%0.70681%0.812SS**  cis179.8170.9-20.258.10000107.9
243N34.7Very low34Very low151 Ų151139.2 Ų139.281%0.80782%0.82SS**  cis-132.5-91.19.4-173.933.9000113.2
244T33.3Very low34.4Very low128 Ų128139.8 Ų139.879%0.78582%0.823SS**  cis-157.8171.5-0.6-51.60000109.9
245G27.9Very low34.6Very low59 Ų59136.8 Ų136.861%0.60881%0.81SS**  trans-177.5-157.5179.200000111.6
246P48.8Very low34.9Very low132 Ų132138 Ų13886%0.85781%0.805SS**  cis-144.1-169.812.843.3-22.5000118.1
247K31.3Very low35.2Very low199 Ų199133.6 Ų133.687%0.86580%0.8SS**  trans-49.6167.1171.1-69.2175.2174.5-179.80115.6
248P48.4Very low34.7Very low133 Ų133132.9 Ų132.986%0.86480%0.804SS**  cis-136.8-162.629.142.8-22.9000114.7
249G30.3Very low34.8Very low71 Ų71137.4 Ų137.473%0.73281%0.809SS**  cis153.6164.5-16.200000115.9
250S29.6Very low35.3Very low125 Ų125138.2 Ų138.287%0.87481%0.808SS**  trans76.2159.4176.8-1450000120.2
251R40.4Very low35.5Very low229 Ų229135.6 Ų135.686%0.86480%0.8SS**  trans-170.9132.1-167.4169.2-171.6-177.7166.62.3111.5
252D31.7Very low35.5Very low161 Ų161131.7 Ų131.786%0.86180%0.798SS**  trans-151.5175170-87.8-54.8000112.7
253H40Very low35.8Very low186 Ų186131.9 Ų131.986%0.86180%0.799SS**  trans-148.5132.9-162-163-26.1000113.9
254E35.2Very low35.7Very low175 Ų175133.5 Ų133.582%0.81880%0.801SS**  trans-136.9-165.1168.7-132.3-151.796.700109.5
255G30.5Very low35.9Very low58 Ų58134.4 Ų134.460%0.59880%0.8SS**  cis-179.4-179.26.600000111.5
256S35.2Very low36.1Very low110 Ų110139.2 Ų139.277%0.76981%0.807SS**  trans-161151.4-178.7-1580000118.9
257S37.5Very low35.3Very low111 Ų111140.4 Ų140.478%0.77681%0.805SS**  trans75.1118.6156.3-56.40000121.8
258A34.9Very low35.2Very low96 Ų96136.9 Ų136.979%0.79380%0.8SS**  165.4130102.800000117.1
259E33.6Very low34.4Very low188 Ų188135.5 Ų135.588%0.87979%0.794SS**  trans72143.7141.7-146.9145.8108.700125.1
260S39.4Very low34.5Very low126 Ų126141.6 Ų141.688%0.88180%0.803SS**  trans64.1149.8-176.6700000116.7
261G34.4Very low34.6Very low68 Ų68143.9 Ų143.970%0.70180%0.8SS**  cis146.7146.8-4.100000110.7
262D32.7Very low34.4Very low159 Ų159138.6 Ų138.685%0.8580%0.795SS**  cis-167.5-177.4-8.5-139.5-63000111.3
263S42.9Very low34.6Very low105 Ų105136.9 Ų136.973%0.73479%0.793SS**  trans84.6129.6-173.5-35.90000115.3
264E32.2Very low34.5Very low184 Ų184137.7 Ų137.786%0.8679%0.794SS**  61.2129.671.2-101.8-165.899.500114
265I36.9Very low34.5Very low147 Ų147135 Ų13575%0.75479%0.792SS**  cis-140.4172.320.851.2171.6000114.8
266E31.5Very low34.5Very low160 Ų160143.8 Ų143.875%0.74881%0.807SS**  trans-75.9152.1171175.6-176.7-146.400113.9
267L32.7Very low34.2Very low158 Ų158144.1 Ų144.183%0.82781%0.809SS**  173170.7127.1-92.4169.2000116.1
268V30Very low34Very low124 Ų124146.4 Ų146.475%0.75281%0.813SS**  trans-102.1168-163.2167.50000113.3
269S32Very low34.5Very low105 Ų105147.5 Ų147.573%0.73481%0.812SS**  trans-27.1152.8169.8-440000118.8
270E30.7Very low34.1Very low199 Ų199147.8 Ų147.893%0.9381%0.81SS**  -170.7-167110.9-153.2146.6104.900112.6
271E32Very low33.8Very low172 Ų172145.8 Ų145.880%0.80479%0.793SS**PPolyproline II helixtrans-93.2154.7-163-168.2174.1132.500114.1
272P37.5Very low33.7Very low119 Ų119151 Ų15177%0.77380%0.799SS**PPolyproline II helixtrans-89.9135.5-169.432.9-36.1000116.7
273P34.7Very low34.2Very low125 Ų125148.7 Ų148.781%0.81279%0.793SS**PPolyproline II helixtrans-100.2171.4173.537.6-34.5000115.4
274K38.4Very low34.4Very low203 Ų203148.4 Ų148.488%0.88379%0.789SS**PPolyproline II helixtrans-96.2152.2-173.6-52.5167.9-175.9171.10114.4
275P35.6Very low34.2Very low119 Ų119147.9 Ų147.977%0.77378%0.784SS**  trans-123.4136141.934.7-24000111.5
276R29.3Very low33.6Very low241 Ų241148 Ų14891%0.90979%0.785SS**  cis81.5105.949.7-87.1-166.4168.5-167.5-0.1115.9
277S30.4Very low33.4Very low117 Ų117148.6 Ų148.682%0.81879%0.786SS**  trans-174.4143.9134.2410000113
278N32.1Very low33.2Very low160 Ų160146.8 Ų146.886%0.85678%0.781SS**  trans-116-165.7172.8-67.312.3000107.5
279P45.1Very low33.1Very low119 Ų119146 Ų14677%0.77378%0.776SS**  cis-141.4174.3-2.343.8-26.5000117.3
280F26.3Very low32.8Very low193 Ų193145 Ų14585%0.84677%0.77SS**  -172.3173.1124.8-153.7-132.5000112.7
281T32Very low32.8Very low85 Ų85142.9 Ų142.952%0.52177%0.765SS.*  trans-60.5168.4-174.653.30000116.8
282E33.4Very low33.4Very low176 Ų176140.5 Ų140.582%0.82276%0.764SS**  cis-162.6178.2-3.6-114.5177.6164.300110.2
283P41.7Very low32.9Very low111 Ų111143.4 Ų143.472%0.72177%0.765SS**  trans-105.4-154.9-172.246.6-40.6000112.4
284P48.4Very low32.6Very low100 Ų100143.8 Ų143.865%0.64976%0.76SS**  cis-136.8-166.4-11.633.8-10.2000115.4
285K26.8Very low32.1Very low173 Ų173141.4 Ų141.475%0.75276%0.757SS**  trans92.5132.2150.5-70.3166.5-178.4174.80122.2
286N25.9Very low31.6Very low148 Ų148140 Ų14079%0.79176%0.756SS**  trans68.2162.5138.1-68.16.1000119.8
287K26.7Very low32.2Very low173 Ų173134.2 Ų134.275%0.75275%0.749SS**  cis-176.4142.4-29.8171.6-179.3174.7-173.20107.3
288V27.9Very low32Very low120 Ų120133.3 Ų133.373%0.72775%0.749SS**  trans67165.4165.5152.70000115.7
289T27.4Very low31.8Very low107 Ų107129.9 Ų129.966%0.65674%0.743SS**  -168.3158.4-55.4-530000105.4
290S25.9Very low30.9Very low85 Ų85134.1 Ų134.159%0.59475%0.749SS**  trans46.5121149.455.70000121.8
291N31.1Very low31Very low154 Ų154129.9 Ų129.982%0.82475%0.749SS**  46.6169104.4-51.910.3000119.9
292P44.1Very low30.7Very low123 Ų123129.1 Ų129.180%0.79976%0.758SS**  cis-130.7-160.30.832.1-7.9000114.6
293F27.8Very low30.8Very low180 Ų180127.2 Ų127.279%0.78976%0.761SS**  trans-39.8164.6162.9-88.9-130.8000114.7
294D28Very low30.1Very low132 Ų132125.1 Ų125.171%0.70676%0.76SS**  cis-168.2-177.346.2-140.1-40.6000115.4
295N27.6Very low29.1Very low154 Ų154129 Ų12982%0.82477%0.774SS**  trans88.3151.1160.7-83.1-65.1000122
296A26.1Very low29.2Very low89 Ų89125.3 Ų125.374%0.73678%0.777SS**  trans-128.2-156.9-166.600000110.2
297P42Very low29.5Very low119 Ų119123.3 Ų123.377%0.77378%0.78SS**  cis-139.7-176.1-542.9-24.3000117
298A26.4Very low29.6Very low98 Ų98118.6 Ų118.681%0.8178%0.781SS**  trans68137.9158.200000118.5
299A27.1Very low30.3Very low89 Ų89118.9 Ų118.974%0.73679%0.785SS**  cis-170.8152.733.200000114.5
300K26.6Very low30.5Very low208 Ų208118.5 Ų118.590%0.90479%0.793SS**  trans66.8144.2151.7-73.1-176.3176.2-179.40122.6
301A28.4Very low30.8Very low103 Ų103118.4 Ų118.485%0.85180%0.797SS**  trans81.1121.6153.900000119.9
302G25.5Very low30.8Very low69 Ų69121.9 Ų121.971%0.71180%0.801SS**  trans-91.3-152.1151.800000110.8
303P36Very low30.5Very low136 Ų136121.4 Ų121.488%0.88380%0.8SS**  cis-109.1174.413.640.8-33.7000113.9
304G26.1Very low31.4Very low68 Ų68120.6 Ų120.670%0.70180%0.803SS**  trans-114.1168.4163.300000111.8
305L28.7Very low31.8Very low180 Ų180122.7 Ų122.794%0.94281%0.813SS**  trans-170.4170.1162.3-112.1170.4000111.5
306A28.8Very low32.5Very low97 Ų97126.8 Ų126.880%0.80282%0.817SS**  trans70.897.2170.600000117.8
307A30.5Very low33.3Very low105 Ų105131 Ų13187%0.86882%0.821SS**  trans-78.7173.6174.500000114.4
308G29.7Very low33.6Very low75 Ų75133.7 Ų133.777%0.77382%0.824SS**  trans-160.2104.816600000112.5
309P43.6Very low34.4Very low125 Ų125139.2 Ų139.281%0.81282%0.823SS**  trans-109.8136.6-176.936.7-28.9000114.1
310A30.4Very low34.9Very low100 Ų100142.1 Ų142.183%0.82682%0.822SS**  trans-166.9140.215700000111.3
311A32.8Very low35.2Very low82 Ų82137.2 Ų137.268%0.67882%0.82SS**  trans62139.2-17600000115.1
312Y31.5Very low35.7Very low227 Ų227141.2 Ų141.289%0.8982%0.821SS**  cis-123.6145.610.3-72.9-101000112
313S36.9Very low36.3Very low113 Ų113145.4 Ų145.479%0.7983%0.826SS**  trans-113.3171.8166.1-54.60000109.6
314I46.4Very low36.2Very low164 Ų164145.3 Ų145.384%0.84182%0.818SS**SBendtrans71.557.5177.4-38.3175.4000113.9
315L36Very low36.4Very low175 Ų175145.7 Ų145.792%0.91681%0.81SS**SBendtrans-178.1135.3143.3-100.5158.7000108.9
316R42.3Very low36.7Very low240 Ų240144.1 Ų144.191%0.90680%0.803SS**  trans83.640.2179.9-156174-70.8159-0.4117.6
317E43.9Very low36.9Very low179 Ų179146.6 Ų146.684%0.83680%0.802SS**  -97.3145.5129.5-83165.5137.400106.4
318E47.5Very low37.1Very low175 Ų175148 Ų14882%0.81879%0.793SS**  cis-151.4139.1-544.7-168.590.900109.3
319R43.9Very low37.6Very low213 Ų213152.5 Ų152.580%0.80480%0.798SS**  trans-155.5143.9-178.8-107.4-67.2-158.999.8-2.3108.1
320E36.5Very low37.2Very low151 Ų151155.1 Ų155.171%0.70680%0.799SS**  trans60.8105.3168.7-70.9133.1-116.600117.2
321A34.7Very low37.4Very low104 Ų104155.8 Ų155.886%0.8680%0.798SS**  trans-14288155.900000108.1
322E38.3Very low37.2Very low187 Ų187156 Ų15687%0.87480%0.799SS**  trans-93.2166.5164-64.4-171.214900109.3
323L36.9Very low37.1Very low157 Ų157149.9 Ų149.982%0.82279%0.79SS**  trans-74.4171.6178.6-60.969.5000109.7
324D35.9Very low37Very low134 Ų134152.5 Ų152.572%0.71779%0.79SS**  cis-158.4-179.510.3-147.435.8000107.9
325S29Very low36.4Very low77 Ų77152.2 Ų152.254%0.53879%0.785SS.*  cis-152.5175.410.1-54.30000110.8
326D34.5Very low36Very low146 Ų146149.6 Ų149.678%0.78178%0.781SS**  trans76.2155.1137.9-77.4-21.6000125.3
327L33.1Very low36Very low150 Ų150142.6 Ų142.679%0.78577%0.767SS**  trans62.8101.2157.2-74.8159.4000117.1
328I36.2Very low35.3Very low134 Ų134143.5 Ų143.569%0.68777%0.768SS**  -168145.251.4-88.1144.3000110.2E330I328-E330 HydrophobicContact CG2-CB 3.98Å
329I40.1Very low34.5Very low169 Ų169144.7 Ų144.787%0.86777%0.765SS**  trans-97.4120.9158.3-60.3171.5000107.5
330E35.5Very low33.8Very low181 Ų181140.4 Ų140.485%0.84675%0.754SS**  trans-135146166.5-168.6160.9-15900111.1I328I328-E330 HydrophobicContact CG2-CB 3.98Å
331S33.2Very low33.6Very low113 Ų113141.8 Ų141.879%0.7976%0.76SS**  trans-103.6137.6-162.5-60.90000113.9
332A29.2Very low33.4Very low86 Ų86140.3 Ų140.371%0.71176%0.756SS**  trans-147.5117.715900000106.6
333S28.6Very low33.1Very low99 Ų99140 Ų14069%0.69276%0.758SS**  51.1135.790.772.60000114.1
334E35Very low32.9Very low169 Ų169136.3 Ų136.379%0.7976%0.758SS**  cis-155.6145.924.7-142.3155.3102.500114.1
335E33.2Very low32.6Very low157 Ų157133.4 Ų133.473%0.73476%0.76SS**  trans45.4136.5143.2-165.6161.5126.800124.3
336S28.6Very low33.5Very low121 Ų121135.3 Ų135.385%0.84677%0.77SS**  trans-147.8130.5146.4-80.40000110.6
337P42Very low33.3Very low92 Ų92136.3 Ų136.360%0.59777%0.768SS**  trans-103.3166.6-16438.4-37.9000116.1
338K29.6Very low33.1Very low198 Ų198137.5 Ų137.586%0.86177%0.769SS**  trans101.3140.1170.9-65.5167.3-176.81650115.7
339R30.3Very low32.7Very low201 Ų201134.6 Ų134.676%0.75877%0.773SS**  cis-168.2130.5-7.3165.1173.2-172.4174.75.9113.2
340E30.1Very low32.2Very low122 Ų122132.1 Ų132.157%0.5778%0.777SS**  trans66.5148.2153.7-81.3-173.775.200124.7
341Q31.9Very low31.8Very low180 Ų180127.9 Ų127.984%0.84177%0.774SS**  trans72.7134.3153.4-70.7164.543.600119.9
342G29.7Very low32.8Very low74 Ų74128.5 Ų128.576%0.76378%0.775SS**  trans166.4-2.4174.600000121.9
343I33.3Very low33.8Very low179 Ų179129.6 Ų129.692%0.91878%0.775SS**  trans18.2116167.5-51.6173.9000118.9
344G32.3Very low33.9Very low81 Ų81130.3 Ų130.384%0.83578%0.78SS**  trans138.6130.8144.900000118.6
345G29.6Very low34.5Very low73 Ų73127.6 Ų127.675%0.75378%0.777SS**  trans-145-153.1161.600000108.7
346P47.8Very low34.3Very low116 Ų116127.6 Ų127.675%0.75378%0.781SS**  cis-144.7-165.8-5.342.3-22.7000114.8
347K31.1Very low34.3Very low168 Ų168127 Ų12773%0.7377%0.772SS**  trans80.9124.3154.7-72.4-174.5174.9-1720119.4
348Q28.3Very low33.8Very low174 Ų174133.4 Ų133.481%0.81379%0.786SS**  69.714084.9-64.9174.6-37.100114.3
349G26.6Very low33.8Very low74 Ų74128.3 Ų128.376%0.76378%0.781SS**  cis160.2175.3-3.800000113
350A29.6Very low33.8Very low116 Ų116123.1 Ų123.196%0.95978%0.781SS**  trans77.9163.8170.800000120.5
351A27.6Very low33.9Very low93 Ų93122.9 Ų122.977%0.76979%0.793SS**  trans-147.6-178-167.700000110.6
352P55.3Low35Very low125 Ų125120.1 Ų120.181%0.81279%0.791SS**  cis-109.4-105.80.623.11.9000114.4
353P48.6Very low36.2Very low110 Ų110122.3 Ų122.371%0.71479%0.791SS**  cis-131.9-146.917.345-24.7000115.5
354S31.3Very low35.9Very low114 Ų114125.4 Ų125.480%0.79779%0.791SS**  trans-158.9176.3173.1-70.70000108.5
355P47.2Very low35.7Very low112 Ų112126.4 Ų126.473%0.72779%0.785SS**  cis-149.3-150.323.840.6-14.5000117
356L28.8Very low35.6Very low156 Ų156131.8 Ų131.882%0.81779%0.79SS**  trans94.9162.7164.7-51.9-176.9000119.9
357V30.2Very low35.7Very low110 Ų110131.3 Ų131.367%0.66779%0.787SS**  -166.9166.4-76.9153.20000111.7
358Y30.3Very low35.5Very low225 Ų225131 Ų13188%0.88279%0.788SS**  trans79.3158.3178.2-61.8-72.8000117.9
359A29.4Very low35.4Very low91 Ų91127 Ų12775%0.75279%0.785SS**  cis178.2171.2-24.500000110
360A30.8Very low35.8Very low92 Ų92127.9 Ų127.976%0.7679%0.785SS**  cis-172.6179.8-32.400000112.4
361S33.1Very low36.9Very low117 Ų117128 Ų12882%0.81878%0.777SS**  trans75.6118.9159.954.40000125.1
362P54.8Low37Very low123 Ų123130.4 Ų130.480%0.79978%0.781SS**  trans-123.5-148.7162.444.8-31.3000111.8
363P53.4Low35.8Very low119 Ų119133 Ų13377%0.77378%0.783SS**  cis-137.3-174-17.543.3-24.6000116.8
364R28.1Very low36.1Very low245 Ų245133.3 Ų133.393%0.92579%0.785SS**  trans-166.5155.6160.6-103-165.4164.8129-3110.6
365S28.6Very low36.9Very low101 Ų101133.7 Ų133.771%0.70678%0.784SS**  cis-166.3158.6-11.841.50000112.7
366H26.3Very low35.9Very low186 Ų186132.7 Ų132.786%0.86179%0.786SS**  trans-98-168.4179.2-77.6-93000113.2
367P49.9Very low35.9Very low106 Ų106130 Ų13069%0.68879%0.785SS**  cis-127.2-137.30.727.61.1000113.8
368E26.6Very low35.8Very low161 Ų161132 Ų13275%0.75279%0.787SS**  cis-168.6153.610.7-160.843.493.300116.9
369A27.9Very low35.6Very low90 Ų90128.7 Ų128.774%0.74478%0.778SS**  trans53.5167.5153.400000126.9
370A34.5Very low35.6Very low93 Ų93128.6 Ų128.677%0.76978%0.777SS**  trans-141.7-157.8-177.400000110.6
371P52.1Low35.4Very low120 Ų120134.1 Ų134.178%0.77978%0.784SS**  cis-134.3-145.4-16.642.2-21.3000113.9
372V30.1Very low35Very low142 Ų142133.3 Ų133.386%0.86178%0.778SS**  trans120.9162.7161.8-178.80000117.4
373Q29.4Very low34.4Very low181 Ų181133.1 Ų133.185%0.84678%0.777SS**  trans-113.2163.2-157.9-79.9-178.10.100118
374P54.6Low33.2Very low116 Ų116133.1 Ų133.175%0.75378%0.775SS**  trans-91.5-155.4172.842.7-40.3000112.5
375P48.5Very low33.1Very low121 Ų121131.2 Ų131.279%0.78677%0.767SS**  cis-145.5-157.4344.5-21.6000117.6
376A26.7Very low33.3Very low92 Ų92130 Ų13076%0.7676%0.763SS**  trans107.3132.9147.900000123.6
377A29.5Very low33.4Very low98 Ų98127.7 Ų127.781%0.8175%0.753SS**  trans56.7162.5146.400000122.2
378E26.4Very low32.3Very low152 Ų152131.4 Ų131.471%0.7176%0.761SS**  cis-124.8-110.30.1-60158.646.500112.3
379K27.5Very low32.3Very low157 Ų157131.1 Ų131.168%0.68377%0.765SS**  cis-165.3121.6-5.5-148.7154.6-176.473.80115.5
380A28.5Very low33.3Very low89 Ų89131.5 Ų131.574%0.73676%0.76SS**  trans62.8163.7150.300000121
381K27.7Very low34Very low207 Ų207132.2 Ų132.290%0.976%0.757SS**  cis-163.4169.8-18.4-111.6176.1-179.6-179.50112
382S25.1Very low32.8Very low101 Ų101132.3 Ų132.371%0.70676%0.76SS**  trans-83.7162.4176.354.20000115.6
383P42.3Very low32.6Very low118 Ų118135 Ų13577%0.76676%0.76SS**  -134.3161.198.212.311.6000113.5
384V27.9Very low33.2Very low120 Ų120131.2 Ų131.273%0.72775%0.752SS**  cis78.2127.346179.20000111.5
385R26.1Very low31.9Very low204 Ų204135.2 Ų135.277%0.7776%0.757SS**  cis-164.5174.136.2-150.6-176.9-171.6121.54.3114.2E387R385-E387 WeakPolarHBondContact CG-OE2 3.24Å; R385-E387 IonicContact NE-OE1 2.71Å; R385-E387 IonicContact NE-OE2 3.17Å
386A31.6Very low31.9Very low75 Ų75134.7 Ų134.762%0.6275%0.753SS**  trans77.3150139.400000124
387E27.8Very low33.5Very low138 Ų138135.5 Ų135.565%0.64575%0.751SS**  cis163.3129.6-24.2-97.8129.253.800106.6R385R385-E387 WeakPolarHBondContact CG-OE2 3.24Å; R385-E387 IonicContact NE-OE1 2.71Å; R385-E387 IonicContact NE-OE2 3.17Å
388E26.9Very low33.3Very low184 Ų184137.4 Ų137.486%0.8675%0.753SS**  cis-159.3163.2-10.8-53.6-169.895.400112.7
389D28.3Very low33.7Very low156 Ų156134.2 Ų134.283%0.83475%0.752SS**  trans80.2-177.7146.3-130.624.6000124.1
390P47.2Very low33.7Very low97 Ų97133 Ų13363%0.6376%0.759SS**  -135.8-141.5-115.349.6-28.9000114.7
391P49.6Very low34Very low109 Ų109135.1 Ų135.171%0.70876%0.762SS**  cis-132-172.2-29.739.4-21.6000115.6
392S27.6Very low35.3Very low122 Ų122130.5 Ų130.585%0.85375%0.753SS**  trans107.8176141.784.50000122.7
393K25.7Very low36.4Very low197 Ų197130.7 Ų130.786%0.85775%0.752SS**  trans-136.7-175.5-155.8-128.6177.4-173.9169.90107.8
394P41.9Very low35.7Very low103 Ų103133.4 Ų133.467%0.66975%0.754SS**  cis-144.5179.6-11.642-22.5000118
395K27.1Very low35.8Very low199 Ų199133.4 Ų133.487%0.86575%0.754SS**  trans84.9154.9139.7-90.8-177.9174.2-175.90124.3
396P49.3Very low35.9Very low110 Ų110134.6 Ų134.671%0.71476%0.759SS**  trans-110.4-145.2-179.147.4-35.8000110.9
397P59.6Low35.7Very low110 Ų110136 Ų13671%0.71476%0.764SS**  cis-135.3-158.1-13.242.2-22.3000113.6
398T26.1Very low35.6Very low138 Ų138138.4 Ų138.485%0.84778%0.775SS**  trans179.4158.7133.7-76.50000112.3
399A33.9Very low35.6Very low84 Ų84138.4 Ų138.469%0.69477%0.772SS**  trans-140.2171.9175.700000111.3
400T27.4Very low36Very low133 Ų133135.6 Ų135.682%0.81676%0.763SS**  trans155.7105.9150-73.40000113.3
401V34.4Very low35Very low132 Ų132139.2 Ų139.280%0.877%0.772SS**  85-162.4100.9-141.10000116
402P55.1Low34Very low110 Ų110141.5 Ų141.571%0.71477%0.773SS**  trans-118-154.2-131.646.3-28.5000114.8
403P47.8Very low33.9Very low106 Ų106139.2 Ų139.269%0.68877%0.768SS**  cis-144.7-173.8-2.642.4-20.2000119.5
404E28.9Very low34.2Very low175 Ų175135.6 Ų135.682%0.81876%0.758SS**  trans87.8121.2137.4-135.6162.8120.600126.5
405V30.5Very low33.5Very low120 Ų120137.6 Ų137.673%0.72777%0.769SS**  trans43.6124.8141.8177.60000123.7
406R26.2Very low34.1Very low229 Ų229133.4 Ų133.486%0.86476%0.762SS**  171.6129.3105.3-161.6160.5-176.4101.50.4117.8
407S28.7Very low33.5Very low105 Ų105134.4 Ų134.473%0.73477%0.769SS**  trans-11.4142.4155.2170.20000123.5
408E25.8Very low32.2Very low187 Ų187138 Ų13887%0.87478%0.776SS**  -160.6165.1126-122.5-171.7162.600115.6
409K26.3Very low32.7Very low184 Ų184139.1 Ų139.180%0.877%0.771SS**  trans-153.4121.9173.5174.5-177.4172.3179.70113.3
410P36.3Very low32.7Very low98 Ų98138.2 Ų138.264%0.63677%0.771SS**  trans-122.5177.9133.839.7-30.4000109.6
411Q26.6Very low33.5Very low173 Ų173141.1 Ų141.181%0.80877%0.772SS**  cis-145.5-152.6-7.4-154.263.4-22.800109
412Q29.8Very low33.8Very low156 Ų156137.7 Ų137.773%0.72976%0.763SS**  trans-158.8158.6176.6173.9173.2-17.200109.4D414Q412-D414 PolarHBondContact NE2-OD2 2.81Å
413G24.9Very low33.2Very low74 Ų74139.5 Ų139.576%0.76376%0.762SS**  trans-166.1125.1168.100000112
414D31.6Very low33Very low121 Ų121141.8 Ų141.865%0.64777%0.768SS**  trans-110.8142.4-167.4-62.7-80.7000113.6Q412Q412-D414 PolarHBondContact NE2-OD2 2.81Å
415T28Very low33.8Very low145 Ų145135.4 Ų135.489%0.8975%0.748SS**  trans-171.9155.1143.312.30000111
416P39.6Very low34.5Very low112 Ų112133.5 Ų133.573%0.72773%0.73SS**  trans-102.6153.3-162.338-35000115.7
417P36Very low35.4Very low131 Ų131125.3 Ų125.385%0.85171%0.711SS**  trans-83.4139.5165.933.5-32.6000112.1
418Q31.6Very low36.2Very low185 Ų185123 Ų12386%0.86470%0.699SS**  trans-99112.7-173.3-160.7176.820.600112.8G420Q418-G420 PolarHBondContact O-N 3.48Å
419Q38.4Very low37.2Very low161 Ų161118.4 Ų118.475%0.75268%0.683SS**  trans46.661.4146.2-160.8168.9-33.500119.2K421Q419-K421 VanDerWaalsContact C-N 3.29Å; Q419-K421 HydrophobicContact CG-CB 4.46Å; Q419-K421 PolarHBondContact O-N 2.71Å
420G32.3Very low38.1Very low66 Ų66112 Ų11268%0.6866%0.664SS**  trans-73.164.7168.300000114.7Q418 G422Q418-G420 PolarHBondContact O-N 3.48Å; G420-G422 PolarHBondContact O-N 3.28Å
421K45.9Very low38.7Very low194 Ų194110.3 Ų110.384%0.84366%0.659SS**THydrogen-bonded Turntrans-79.152-173.7-157.2176.8-177177.90114Q419Q419-K421 VanDerWaalsContact C-N 3.29Å; Q419-K421 HydrophobicContact CG-CB 4.46Å; Q419-K421 PolarHBondContact O-N 2.71Å
422G40.5Very low39.7Very low59 Ų59107.7 Ų107.761%0.60865%0.65SS**THydrogen-bonded Turntrans-138.1-29.6-177.800000116.2G420 L424G420-G422 PolarHBondContact O-N 3.28Å; G422-L424 PolarHBondContact O-N 2.79Å
423E41Very low40.5Very low149 Ų149106.7 Ų106.770%0.69665%0.649SS**THydrogen-bonded Turntrans-78.7-17.3-171.7-66.1-176.591.100114.7G425 K426 A427E423-G425 PolarHBondContact O-N 3.36Å; E423-K426 PolarHBondContact O-N 3.44Å; E423-A427 WeakPolarHBondContact O-CB 3.35Å; E423-A427 PolarHBondContact O-N 2.91Å
424L45.1Very low41.5Very low154 Ų154110.5 Ų110.581%0.80665%0.647SS**Hα-helixtrans-53.2-34.8-169.8-152.185.6000113.6G422 A428G422-L424 PolarHBondContact O-N 2.79Å; L424-A428 WeakPolarHBondContact O-CB 3.16Å; L424-A428 PolarHBondContact O-N 2.84Å
425G45.7Very low42.1Very low40 Ų40105.8 Ų105.841%0.41263%0.627SS.*Hα-helixtrans-70-49.8177.500000112.9E423 A428 V429E423-G425 PolarHBondContact O-N 3.36Å; G425-A428 PolarHBondContact O-N 2.77Å; G425-V429 WeakPolarHBondContact O-CG2 3.31Å; G425-V429 PolarHBondContact O-N 3.43Å
426K43.9Very low43.3Very low81 Ų81104.3 Ų104.335%0.35261%0.609SS.*Hα-helixtrans-67.5-43.5-177.3-64.1178177.4-171.50110.6E423 A428 A430 A511 M515E423-K426 PolarHBondContact O-N 3.44Å; K426-A428 VanDerWaalsContact C-N 3.33Å; K426-A428 PolarHBondContact O-N 2.75Å; K426-A430 WeakPolarHBondContact O-CB 3.35Å; K426-A430 PolarHBondContact O-N 3.22Å; K426-A511 PolarHBondContact NZ-O 2.61Å; K426-A511 VanDerWaalsContact NZ-O 3.12Å; K426-M515 HydrophobicContact CD-CE 4.16Å; K426-M515 HydrophobicContact CD-SD 3.52Å; K426-M515 VanDerWaalsContact CD-SD 3.52Å; K426-M515 WeakPolarHBondContact CE-SD 3.38Å; K426-M515 HydrophobicContact CG-CE 4.43Å; K426-M515 HydrophobicContact CG-SD 4.36Å; K426-M515 PolarHBondContact NZ-SD 2.98Å
427A45Very low44.1Very low56 Ų56101.3 Ų101.346%0.46359%0.59SS.*Hα-helixtrans-62-37172.900000112.6E423 A431E423-A427 WeakPolarHBondContact O-CB 3.35Å; E423-A427 PolarHBondContact O-N 2.91Å; A427-A431 WeakPolarHBondContact O-CB 3.3Å; A427-A431 PolarHBondContact O-N 3.46Å
428A47.1Very low45.5Very low57 Ų57102.9 Ų102.947%0.47158%0.584SS.*Hα-helixtrans-66.3-45.1178.700000113.1L424 G425 K426 A431 L432L424-A428 WeakPolarHBondContact O-CB 3.16Å; L424-A428 PolarHBondContact O-N 2.84Å; G425-A428 PolarHBondContact O-N 2.77Å; K426-A428 VanDerWaalsContact C-N 3.33Å; K426-A428 PolarHBondContact O-N 2.75Å; A428-A431 PolarHBondContact O-N 2.82Å; A428-L432 WeakPolarHBondContact O-CB 3.28Å; A428-L432 PolarHBondContact O-N 3.42Å
429V44.9Very low47.2Very low91 Ų91100.5 Ų100.555%0.55257%0.572SS**Hα-helixtrans-69.7-39.4179.2-1560000111.3G425 L432 L433G425-V429 WeakPolarHBondContact O-CG2 3.31Å; G425-V429 PolarHBondContact O-N 3.43Å; V429-L432 WeakPolarHBondContact O-CB 3.26Å; V429-L432 PolarHBondContact O-N 2.82Å; V429-L433 PolarHBondContact O-N 3.28Å; V429-L433 VanDerWaalsContact O-N 3.15Å
430A46.9Very low48.6Very low48 Ų4898 Ų9840%0.39756%0.559SS.*Hα-helixtrans-59.6-50.4173.300000111.1K426 L432 L433 E434K426-A430 WeakPolarHBondContact O-CB 3.35Å; K426-A430 PolarHBondContact O-N 3.22Å; A430-L432 PolarHBondContact O-N 3.45Å; A430-L433 PolarHBondContact O-N 2.8Å; A430-E434 VanDerWaalsContact O-CB 3.24Å; A430-E434 WeakPolarHBondContact O-CB 3.27Å; A430-E434 PolarHBondContact O-N 3.35Å
431A47.7Very low50.4Low64 Ų6497 Ų9753%0.52955%0.545SS..Hα-helixtrans-66.2-19.4177.100000114A427 A428 G435A427-A431 WeakPolarHBondContact O-CB 3.3Å; A427-A431 PolarHBondContact O-N 3.46Å; A428-A431 PolarHBondContact O-N 2.82Å; A431-G435 WeakPolarHBondContact O-CA 3.26Å; A431-G435 PolarHBondContact O-N 2.75Å
432L47.5Very low51.8Low118 Ų11891.2 Ų91.262%0.61852%0.522SS*.Hα-helixtrans-74.2-44.6172-135.3166.6000110.9A428 V429 A430 F436A428-L432 WeakPolarHBondContact O-CB 3.28Å; A428-L432 PolarHBondContact O-N 3.42Å; V429-L432 WeakPolarHBondContact O-CB 3.26Å; V429-L432 PolarHBondContact O-N 2.82Å; A430-L432 PolarHBondContact O-N 3.45Å; L432-F436 PolarHBondContact O-N 3.31Å
433L46.8Very low53.4Low134 Ų13490 Ų9070%0.70250%0.502SS*.Hα-helixtrans-75-46178.7-74.1162.4000112.4V429 A430 G435 F436V429-L433 PolarHBondContact O-N 3.28Å; V429-L433 VanDerWaalsContact O-N 3.15Å; A430-L433 PolarHBondContact O-N 2.8Å; L433-G435 VanDerWaalsContact C-N 3.28Å; L433-F436 WeakPolarHBondContact O-CB 3.21Å; L433-F436 PolarHBondContact O-N 3.45Å; L433-F436 VanDerWaalsContact O-N 3.14Å
434E45.7Very low54.9Low154 Ų15483.9 Ų83.972%0.7247%0.474SS*.Hα-helixtrans-75.5-22177.3-163.1155.7-146.100111.9A430 F436 S437A430-E434 VanDerWaalsContact O-CB 3.24Å; A430-E434 WeakPolarHBondContact O-CB 3.27Å; A430-E434 PolarHBondContact O-N 3.35Å; E434-F436 PolarHBondContact O-N 3.47Å; E434-S437 WeakPolarHBondContact O-CA 3.36Å; E434-S437 PolarHBondContact O-N 2.82Å; E434-S437 PolarHBondContact O-OG 3.44Å
435G45.2Very low56.3Low23 Ų2378.3 Ų78.324%0.23745%0.445CS..THydrogen-bonded Turntrans-66.6-19.8166.300000114A431 L433 S437 K440A431-G435 WeakPolarHBondContact O-CA 3.26Å; A431-G435 PolarHBondContact O-N 2.75Å; L433-G435 VanDerWaalsContact C-N 3.28Å; G435-S437 PolarHBondContact O-N 3.19Å; G435-S437 VanDerWaalsContact O-N 3.09Å; G435-S437 PolarHBondContact O-OG 2.83Å; G435-K440 WeakPolarHBondContact O-CD 3.29Å; G435-K440 WeakPolarHBondContact O-CE 3.37Å; G435-K440 PolarHBondContact O-NZ 3.23Å
436F53Low57.6Low114 Ų11481.3 Ų81.350%0.544%0.444SS..SBendtrans-80.345.9161.6-94.1-90000111L432 L433 E434 L444L432-F436 PolarHBondContact O-N 3.31Å; L433-F436 WeakPolarHBondContact O-CB 3.21Å; L433-F436 PolarHBondContact O-N 3.45Å; L433-F436 VanDerWaalsContact O-N 3.14Å; E434-F436 PolarHBondContact O-N 3.47Å; F436-L444 HydrophobicContact CE1-CD2 4.45Å
437S55.3Low59.1Low49 Ų4981 Ų8134%0.34344%0.441SS..  trans-50.7143-175-36.30000111.4E434 G435 Q439 K440 A441E434-S437 WeakPolarHBondContact O-CA 3.36Å; E434-S437 PolarHBondContact O-N 2.82Å; E434-S437 PolarHBondContact O-OG 3.44Å; G435-S437 PolarHBondContact O-N 3.19Å; G435-S437 VanDerWaalsContact O-N 3.09Å; G435-S437 PolarHBondContact O-OG 2.83Å; S437-Q439 CarbonylContact O-C 3.5Å; S437-Q439 PolarHBondContact O-N 2.78Å; S437-K440 WeakPolarHBondContact O-CA 3.5Å; S437-K440 WeakPolarHBondContact O-CB 3.24Å; S437-K440 PolarHBondContact O-N 2.83Å; S437-A441 PolarHBondContact O-N 3.41Å
438K65.6Low60.5Low164 Ų16487 Ų8771%0.71345%0.452SS*.Hα-helixtrans-49-40.9-173.4-169.5-179.1179.2-175.10113.4A441 I442K438-A441 PolarHBondContact O-N 3.48Å; K438-I442 HydrophobicContact CG-CD1 4.11Å; K438-I442 VanDerWaalsContact O-CG1 3.29Å; K438-I442 WeakPolarHBondContact O-CG1 3.13Å; K438-I442 PolarHBondContact O-N 2.83Å
439Q66.4Low61.9Low134 Ų13488.4 Ų88.463%0.62645%0.451SS*.Hα-helixtrans-56.7-51.6171-95.970.5-4.200112.6S437 A441 I442 D443S437-Q439 CarbonylContact O-C 3.5Å; S437-Q439 PolarHBondContact O-N 2.78Å; Q439-A441 VanDerWaalsContact C-N 3.35Å; Q439-A441 PolarHBondContact O-N 2.99Å; Q439-I442 CarbonylContact O-C 3.51Å; Q439-I442 WeakPolarHBondContact O-CB 3.35Å; Q439-I442 PolarHBondContact O-N 3.25Å; Q439-D443 WeakPolarHBondContact O-CB 3.25Å; Q439-D443 PolarHBondContact O-N 2.76Å
440K68.3Low63.4Low108 Ų10888.4 Ų88.447%0.4745%0.451SS..Hα-helixtrans-62-40.8176.8-61.8-170.2-158.8162.10112.2G435 S437 I442 D443 L444G435-K440 WeakPolarHBondContact O-CD 3.29Å; G435-K440 WeakPolarHBondContact O-CE 3.37Å; G435-K440 PolarHBondContact O-NZ 3.23Å; S437-K440 WeakPolarHBondContact O-CA 3.5Å; S437-K440 WeakPolarHBondContact O-CB 3.24Å; S437-K440 PolarHBondContact O-N 2.83Å; K440-I442 VanDerWaalsContact C-N 3.28Å; K440-I442 PolarHBondContact O-N 2.72Å; K440-D443 PolarHBondContact O-N 2.88Å; K440-L444 HydrophobicContact CB-CD1 4.46Å; K440-L444 WeakPolarHBondContact O-CB 3.48Å; K440-L444 WeakPolarHBondContact O-CD1 3.33Å; K440-L444 PolarHBondContact O-N 2.91Å
441A70.1Confident64.9Low46 Ų4695.5 Ų95.538%0.3847%0.473SS..Hα-helixtrans-59-43.2176.400000111S437 K438 Q439 L445S437-A441 PolarHBondContact O-N 3.41Å; K438-A441 PolarHBondContact O-N 3.48Å; Q439-A441 VanDerWaalsContact C-N 3.35Å; Q439-A441 PolarHBondContact O-N 2.99Å; A441-L445 WeakPolarHBondContact O-CB 3.22Å; A441-L445 PolarHBondContact O-N 2.85Å
442I75.1Confident66.3Low72 Ų7298.2 Ų98.237%0.36948%0.475SS..Hα-helixtrans-65.8-45.9173.2-67.9165.5000111.2K438 Q439 K440 L444 L445 Y446K438-I442 HydrophobicContact CG-CD1 4.11Å; K438-I442 VanDerWaalsContact O-CG1 3.29Å; K438-I442 WeakPolarHBondContact O-CG1 3.13Å; K438-I442 PolarHBondContact O-N 2.83Å; Q439-I442 CarbonylContact O-C 3.51Å; Q439-I442 WeakPolarHBondContact O-CB 3.35Å; Q439-I442 PolarHBondContact O-N 3.25Å; K440-I442 VanDerWaalsContact C-N 3.28Å; K440-I442 PolarHBondContact O-N 2.72Å; I442-L444 VanDerWaalsContact C-N 3.28Å; I442-L444 PolarHBondContact O-N 2.96Å; I442-L445 WeakPolarHBondContact O-CB 3.28Å; I442-L445 PolarHBondContact O-N 3.41Å; I442-Y446 HydrophobicContact CG2-CD2 3.76Å; I442-Y446 HydrophobicContact CG2-CE2 4.07Å; I442-Y446 WeakPolarHBondContact O-CD2 3.21Å; I442-Y446 PolarHBondContact O-N 2.82Å
443D74.3Confident68Low35 Ų3592.6 Ų92.619%0.18745%0.445CS..Hα-helixtrans-66.6-27.3-179.9-67.7-31.2000112.8Q439 K440 W447 R448Q439-D443 WeakPolarHBondContact O-CB 3.25Å; Q439-D443 PolarHBondContact O-N 2.76Å; K440-D443 PolarHBondContact O-N 2.88Å; D443-W447 PolarHBondContact O-N 3.12Å; D443-R448 HydrophobicContact CB-CB 3.98Å; D443-R448 VanDerWaalsContact O-CB 3.26Å; D443-R448 WeakPolarHBondContact O-CB 3.46Å; D443-R448 PolarHBondContact O-N 3.48Å; D443-R448 WeakPolarHBondContact OD1-CD 3.19Å; D443-R448 IonicContact OD1-CZ 3.62Å; D443-R448 IonicContact OD1-NE 3.73Å; D443-R448 IonicContact OD1-NH1 2.73Å; D443-R448 PolarHBondContact OD1-NH1 3.46Å
444L72.4Confident69.8Low20 Ų2086.9 Ų86.911%0.10542%0.419CS..Hα-helixtrans-72.6-44167.7-92.679.8000111F436 K440 I442 Y446 W447 S453 V456 F585F436-L444 HydrophobicContact CE1-CD2 4.45Å; K440-L444 HydrophobicContact CB-CD1 4.46Å; K440-L444 WeakPolarHBondContact O-CB 3.48Å; K440-L444 WeakPolarHBondContact O-CD1 3.33Å; K440-L444 PolarHBondContact O-N 2.91Å; I442-L444 VanDerWaalsContact C-N 3.28Å; I442-L444 PolarHBondContact O-N 2.96Å; L444-Y446 VanDerWaalsContact C-N 3.35Å; L444-Y446 PolarHBondContact O-N 3.4Å; L444-W447 PolarHBondContact O-N 3.28Å; L444-S453 VanDerWaalsContact O-CB 3.23Å; L444-S453 WeakPolarHBondContact O-CB 3.43Å; L444-V456 HydrophobicContact CD2-CB 3.8Å; L444-V456 HydrophobicContact CD2-CG1 3.8Å; L444-V456 HydrophobicContact CD2-CG2 4Å; L444-F585 HydrophobicContact CB-CE1 4.35Å
445L74.4Confident71.8Confident37 Ų3782.3 Ų82.319%0.19441%0.407CS..Hα-helixtrans-64.8-37.2-179.5-150.477.2000112.9A441 I442 W447 M584 F585 P588 V589A441-L445 WeakPolarHBondContact O-CB 3.22Å; A441-L445 PolarHBondContact O-N 2.85Å; I442-L445 WeakPolarHBondContact O-CB 3.28Å; I442-L445 PolarHBondContact O-N 3.41Å; L445-W447 VanDerWaalsContact C-N 3.28Å; L445-M584 HydrophobicContact CD1-CG 4.06Å; L445-M584 VanDerWaalsContact CD1-O 3.3Å; L445-M584 WeakPolarHBondContact CD1-O 3.47Å; L445-M584 WeakPolarHBondContact CG-O 3.49Å; L445-F585 HydrophobicContact CD1-CD1 4.06Å; L445-F585 HydrophobicContact CD1-CD2 3.84Å; L445-F585 HydrophobicContact CD1-CE1 4.1Å; L445-F585 HydrophobicContact CD1-CE2 3.88Å; L445-F585 HydrophobicContact CD1-CG 3.94Å; L445-F585 HydrophobicContact CD1-CZ 4.02Å; L445-P588 HydrophobicContact CD2-CG 4.26Å; L445-P588 HydrophobicContact CG-CG 4.11Å; L445-V589 WeakPolarHBondContact O-CG2 3.48Å
446Y73.8Confident73.7Confident103 Ų10383.3 Ų83.340%0.40441%0.409SS..THydrogen-bonded Turntrans-87.711.3173.3-77.7-95.6000113I442 L444 R448 P588 E592I442-Y446 HydrophobicContact CG2-CD2 3.76Å; I442-Y446 HydrophobicContact CG2-CE2 4.07Å; I442-Y446 WeakPolarHBondContact O-CD2 3.21Å; I442-Y446 PolarHBondContact O-N 2.82Å; L444-Y446 VanDerWaalsContact C-N 3.35Å; L444-Y446 PolarHBondContact O-N 3.4Å; Y446-R448 PolarHBondContact O-N 2.9Å; Y446-P588 HydrophobicContact CE1-CB 4.33Å; Y446-E592 VanDerWaalsContact CD1-CD 3.49Å; Y446-E592 HydrophobicContact CD1-CG 4.3Å; Y446-E592 WeakPolarHBondContact CD1-OE1 3.2Å; Y446-E592 HydrophobicContact CE1-CG 4.09Å; Y446-E592 WeakPolarHBondContact CE1-OE1 3.5Å
447W75.5Confident75.3Confident73 Ų7379 Ų7928%0.27739%0.39SS..THydrogen-bonded Turntrans53.926.2174.9-77.355.1000115.7D443 L444 L445 N449 V450 S453 F457 F585 V589D443-W447 PolarHBondContact O-N 3.12Å; L444-W447 PolarHBondContact O-N 3.28Å; L445-W447 VanDerWaalsContact C-N 3.28Å; W447-N449 PolarHBondContact O-N 2.86Å; W447-N449 VanDerWaalsContact O-N 3.07Å; W447-V450 HydrophobicContact CE3-CG1 4.05Å; W447-V450 HydrophobicContact CZ3-CG1 4.24Å; W447-V450 VanDerWaalsContact O-CG2 3.28Å; W447-V450 WeakPolarHBondContact O-CG2 3.33Å; W447-V450 PolarHBondContact O-N 3.48Å; W447-V450 VanDerWaalsContact O-N 3.11Å; W447-S453 WeakPolarHBondContact CA-OG 3.41Å; W447-F457 HydrophobicContact CZ2-CD1 4.13Å; W447-F585 AromaticContact NE1-CD1 3.95Å; W447-V589 HydrophobicContact CB-CG2 4.05Å; W447-V589 VanDerWaalsContact CD1-CG2 3.47Å; W447-V589 HydrophobicContact CG-CG2 3.88Å
448R74.3Confident76.8Confident183 Ų18379.8 Ų79.869%0.69140%0.396SS*.THydrogen-bonded Turntrans-58.7-27.5-176.6-145.2172.1-157.4147.310.8112.9D443 Y446D443-R448 HydrophobicContact CB-CB 3.98Å; D443-R448 VanDerWaalsContact O-CB 3.26Å; D443-R448 WeakPolarHBondContact O-CB 3.46Å; D443-R448 PolarHBondContact O-N 3.48Å; D443-R448 WeakPolarHBondContact OD1-CD 3.19Å; D443-R448 IonicContact OD1-CZ 3.62Å; D443-R448 IonicContact OD1-NE 3.73Å; D443-R448 IonicContact OD1-NH1 2.73Å; D443-R448 PolarHBondContact OD1-NH1 3.46Å; Y446-R448 PolarHBondContact O-N 2.9Å
449N76.7Confident77.8Confident86 Ų8675.3 Ų75.346%0.4639%0.385SS..THydrogen-bonded Turntrans-119.268.8169.9-72.9-65.3000110.4W447 K451 Q452 S453W447-N449 PolarHBondContact O-N 2.86Å; W447-N449 VanDerWaalsContact O-N 3.07Å; N449-K451 PolarHBondContact O-N 3.28Å; N449-Q452 HydrophobicContact CB-CB 4.18Å; N449-Q452 WeakPolarHBondContact O-CA 3.49Å; N449-Q452 PolarHBondContact O-N 2.94Å; N449-S453 PolarHBondContact O-N 2.98Å; N449-S453 PolarHBondContact O-OG 2.82Å
450V75.9Confident78.9Confident91 Ų9171.5 Ų71.555%0.55237%0.37SS*.Hα-helixtrans-36.5-43.1-175.9178.60000114.9W447 S453 G454W447-V450 HydrophobicContact CE3-CG1 4.05Å; W447-V450 HydrophobicContact CZ3-CG1 4.24Å; W447-V450 VanDerWaalsContact O-CG2 3.28Å; W447-V450 WeakPolarHBondContact O-CG2 3.33Å; W447-V450 PolarHBondContact O-N 3.48Å; W447-V450 VanDerWaalsContact O-N 3.11Å; V450-S453 WeakPolarHBondContact CA-OG 3.26Å; V450-S453 PolarHBondContact O-OG 2.93Å; V450-G454 WeakPolarHBondContact O-CA 3.26Å; V450-G454 PolarHBondContact O-N 3.36Å
451K79.7Confident79.7Confident197 Ų19768.6 Ų68.686%0.85736%0.36SS*.Hα-helixtrans-68.6-35179.5-65.6-175.5178.2-178.10113.5N449 A455N449-K451 PolarHBondContact O-N 3.28Å; K451-A455 WeakPolarHBondContact O-CB 3.41Å; K451-A455 PolarHBondContact O-N 3.39Å
452Q76Confident80.4Confident122 Ų12272.2 Ų72.257%0.5737%0.372SS*.Hα-helixtrans-87.6-42.7177.6-69.7-177.6-15.800112N449 A455 V456N449-Q452 HydrophobicContact CB-CB 4.18Å; N449-Q452 WeakPolarHBondContact O-CA 3.49Å; N449-Q452 PolarHBondContact O-N 2.94Å; Q452-A455 PolarHBondContact O-N 2.92Å; Q452-V456 WeakPolarHBondContact O-CB 3.26Å; Q452-V456 WeakPolarHBondContact O-CG2 3.33Å; Q452-V456 PolarHBondContact O-N 3.39Å
453S82.6Confident80.9Confident0 Ų073.6 Ų73.60%038%0.38CS..Hα-helixtrans-62.4-46.4174.460.50000110.7L444 W447 N449 V450 A455 V456 F457L444-S453 VanDerWaalsContact O-CB 3.23Å; L444-S453 WeakPolarHBondContact O-CB 3.43Å; W447-S453 WeakPolarHBondContact CA-OG 3.41Å; N449-S453 PolarHBondContact O-N 2.98Å; N449-S453 PolarHBondContact O-OG 2.82Å; V450-S453 WeakPolarHBondContact CA-OG 3.26Å; V450-S453 PolarHBondContact O-OG 2.93Å; S453-A455 PolarHBondContact O-N 3.45Å; S453-V456 PolarHBondContact O-N 2.87Å; S453-F457 WeakPolarHBondContact O-CB 2.95Å; S453-F457 PolarHBondContact O-N 3.49Å
454G86.2Confident81.3Confident14 Ų1472.9 Ų72.914%0.14438%0.376CS..Hα-helixtrans-61.2-40.9174.800000113V450 S458V450-G454 WeakPolarHBondContact O-CA 3.26Å; V450-G454 PolarHBondContact O-N 3.36Å; G454-S458 WeakPolarHBondContact O-CB 3.43Å; G454-S458 PolarHBondContact O-N 3.37Å; G454-S458 PolarHBondContact O-OG 3.36Å
455A87Confident81.8Confident58 Ų5877.7 Ų77.748%0.47940%0.396SS..Hα-helixtrans-68.1-42.7176.400000113.3K451 Q452 S453 S459K451-A455 WeakPolarHBondContact O-CB 3.41Å; K451-A455 PolarHBondContact O-N 3.39Å; Q452-A455 PolarHBondContact O-N 2.92Å; S453-A455 PolarHBondContact O-N 3.45Å; A455-S459 WeakPolarHBondContact O-CB 3.37Å; A455-S459 PolarHBondContact O-N 2.91Å; A455-S459 PolarHBondContact O-OG 3.37Å
456V86.3Confident81.8Confident44 Ų4478.1 Ų78.127%0.26740%0.402SS..Hα-helixtrans-72.3-41.1178.1172.70000111.4L444 Q452 S453 S459 V460L444-V456 HydrophobicContact CD2-CB 3.8Å; L444-V456 HydrophobicContact CD2-CG1 3.8Å; L444-V456 HydrophobicContact CD2-CG2 4Å; Q452-V456 WeakPolarHBondContact O-CB 3.26Å; Q452-V456 WeakPolarHBondContact O-CG2 3.33Å; Q452-V456 PolarHBondContact O-N 3.39Å; S453-V456 PolarHBondContact O-N 2.87Å; V456-S459 PolarHBondContact O-N 2.82Å; V456-S459 PolarHBondContact O-OG 3.35Å; V456-V460 HydrophobicContact CG1-CG2 4.46Å; V456-V460 WeakPolarHBondContact O-CB 3.4Å; V456-V460 VanDerWaalsContact O-CG2 3.29Å; V456-V460 WeakPolarHBondContact O-CG2 3.26Å; V456-V460 PolarHBondContact O-N 2.86Å
457F86.2Confident81.9Confident23 Ų2375 Ų7510%0.10139%0.392CS..Hα-helixtrans-59.2-48.4171.8177-109.5000110.6W447 S453 S459 V460 L461 V581 V582 F585W447-F457 HydrophobicContact CZ2-CD1 4.13Å; S453-F457 WeakPolarHBondContact O-CB 2.95Å; S453-F457 PolarHBondContact O-N 3.49Å; F457-S459 PolarHBondContact O-N 2.83Å; F457-V460 PolarHBondContact O-N 3.43Å; F457-L461 HydrophobicContact CE1-CD2 3.96Å; F457-L461 HydrophobicContact CZ-CD2 4.06Å; F457-L461 WeakPolarHBondContact O-CB 3.25Å; F457-L461 PolarHBondContact O-N 2.93Å; F457-V581 HydrophobicContact CE2-CG1 4.38Å; F457-V582 HydrophobicContact CZ-CG2 4.15Å; F457-F585 HydrophobicContact CB-CD1 4.3Å; F457-F585 HydrophobicContact CB-CE1 4.49Å; F457-F585 HydrophobicContact CD2-CB 3.61Å; F457-F585 HydrophobicContact CD2-CD1 4.02Å; F457-F585 AromaticContact CD2-CD2 3.78Å; F457-F585 HydrophobicContact CD2-CD2 3.78Å; F457-F585 HydrophobicContact CD2-CE2 4.44Å; F457-F585 AromaticContact CD2-CG 3.53Å; F457-F585 HydrophobicContact CD2-CG 3.53Å; F457-F585 HydrophobicContact CE2-CB 3.64Å; F457-F585 HydrophobicContact CE2-CD2 4.22Å; F457-F585 HydrophobicContact CE2-CG 4.03Å; F457-F585 HydrophobicContact CG-CB 4.45Å; F457-F585 HydrophobicContact CG-CD1 4.45Å; F457-F585 HydrophobicContact CG-CG 4.37Å
458S86Confident81.8Confident66 Ų6673.3 Ų73.346%0.46239%0.39SS..Hα-helixtrans-67.3-35.2179.7-560000112.9G454 L462G454-S458 WeakPolarHBondContact O-CB 3.43Å; G454-S458 PolarHBondContact O-N 3.37Å; G454-S458 PolarHBondContact O-OG 3.36Å; S458-L462 WeakPolarHBondContact O-CB 3.3Å; S458-L462 PolarHBondContact O-N 3.46Å
459S87.4Confident81.5Confident69 Ų6970.9 Ų70.948%0.48339%0.387SS..Hα-helixtrans-73.4-37.917868.40000112.4A455 V456 F457 L463A455-S459 WeakPolarHBondContact O-CB 3.37Å; A455-S459 PolarHBondContact O-N 2.91Å; A455-S459 PolarHBondContact O-OG 3.37Å; V456-S459 PolarHBondContact O-N 2.82Å; V456-S459 PolarHBondContact O-OG 3.35Å; F457-S459 PolarHBondContact O-N 2.83Å; S459-L463 VanDerWaalsContact O-CB 3.24Å; S459-L463 WeakPolarHBondContact O-CB 3.42Å; S459-L463 PolarHBondContact O-N 2.84Å
460V88.3Confident81Confident54 Ų5473.1 Ų73.133%0.32739%0.392SS..Hα-helixtrans-66.4-45.6171.1173.20000110.5V456 F457 L462 L463 L464 V581V456-V460 HydrophobicContact CG1-CG2 4.46Å; V456-V460 WeakPolarHBondContact O-CB 3.4Å; V456-V460 VanDerWaalsContact O-CG2 3.29Å; V456-V460 WeakPolarHBondContact O-CG2 3.26Å; V456-V460 PolarHBondContact O-N 2.86Å; F457-V460 PolarHBondContact O-N 3.43Å; V460-L462 PolarHBondContact O-N 3.31Å; V460-L463 PolarHBondContact O-N 3.45Å; V460-L464 HydrophobicContact CG1-CD1 4.16Å; V460-L464 WeakPolarHBondContact O-CD1 3.47Å; V460-L464 PolarHBondContact O-N 2.97Å; V460-V581 HydrophobicContact CG1-CG1 4.15Å
461L86.2Confident80.7Confident47 Ų4772.2 Ų72.225%0.24639%0.39CS..Hα-helixtrans-64.6-40178.9-167.770.9000111.8F457 F465 I578 V582F457-L461 HydrophobicContact CE1-CD2 3.96Å; F457-L461 HydrophobicContact CZ-CD2 4.06Å; F457-L461 WeakPolarHBondContact O-CB 3.25Å; F457-L461 PolarHBondContact O-N 2.93Å; L461-F465 WeakPolarHBondContact O-CB 3.24Å; L461-F465 PolarHBondContact O-N 2.67Å; L461-I578 HydrophobicContact CD1-CG2 3.92Å; L461-V582 HydrophobicContact CD1-CG2 3.61Å
462L85.4Confident80Confident122 Ų12266.3 Ų66.364%0.63937%0.371SS*.Hα-helixtrans-70.3-34.7175.3-175.8149000112S458 V460 S466S458-L462 WeakPolarHBondContact O-CB 3.3Å; S458-L462 PolarHBondContact O-N 3.46Å; V460-L462 PolarHBondContact O-N 3.31Å; L462-S466 WeakPolarHBondContact O-CB 3.34Å; L462-S466 PolarHBondContact O-N 3.31Å
463L85.3Confident79.6Confident101 Ų10166.1 Ų66.153%0.52938%0.377SS..Hα-helixtrans-64.5-49172176.461.7000111.2S459 V460 S466 L467S459-L463 VanDerWaalsContact O-CB 3.24Å; S459-L463 WeakPolarHBondContact O-CB 3.42Å; S459-L463 PolarHBondContact O-N 2.84Å; V460-L463 PolarHBondContact O-N 3.45Å; L463-S466 WeakPolarHBondContact O-CB 3.31Å; L463-S466 PolarHBondContact O-N 3.1Å; L463-L467 HydrophobicContact CD1-CD1 4.4Å; L463-L467 HydrophobicContact CG-CD1 4.28Å; L463-L467 VanDerWaalsContact O-CG 3.31Å; L463-L467 WeakPolarHBondContact O-CG 3.3Å; L463-L467 PolarHBondContact O-N 2.88Å
464L82.7Confident78.9Confident21 Ų2168.3 Ų68.311%0.1139%0.392CS..Hα-helixtrans-63.4-40175.8-91.658.6000111.7V460 L467 T468 L574 L577 I578 V581V460-L464 HydrophobicContact CG1-CD1 4.16Å; V460-L464 WeakPolarHBondContact O-CD1 3.47Å; V460-L464 PolarHBondContact O-N 2.97Å; L464-L467 WeakPolarHBondContact O-CB 3.46Å; L464-L467 PolarHBondContact O-N 3.35Å; L464-T468 PolarHBondContact O-N 3.1Å; L464-L574 HydrophobicContact CB-CD2 4.27Å; L464-L574 HydrophobicContact CG-CD2 4.38Å; L464-L574 WeakPolarHBondContact O-CD2 3.12Å; L464-L577 HydrophobicContact CD2-CD2 4.14Å; L464-L577 HydrophobicContact CD2-CG 3.94Å; L464-L577 HydrophobicContact CG-CD2 4.37Å; L464-I578 HydrophobicContact CB-CD1 4.31Å; L464-I578 HydrophobicContact CB-CG1 3.78Å; L464-I578 HydrophobicContact CD2-CG1 4.21Å; L464-I578 HydrophobicContact CG-CG1 4.5Å; L464-V581 HydrophobicContact CD2-CB 4.38Å; L464-V581 HydrophobicContact CD2-CG2 3.89Å
465F81.6Confident78.1Confident121 Ų12170.2 Ų70.253%0.53140%0.401SS..Hα-helixtrans-65.4-42.4175-177.2-100.4000111.8L461 L467 T468 Q469L461-F465 WeakPolarHBondContact O-CB 3.24Å; L461-F465 PolarHBondContact O-N 2.67Å; F465-L467 VanDerWaalsContact C-N 3.26Å; F465-L467 PolarHBondContact O-N 2.86Å; F465-T468 WeakPolarHBondContact O-CA 3.37Å; F465-T468 WeakPolarHBondContact O-CB 3.33Å; F465-T468 PolarHBondContact O-N 3.06Å; F465-T468 PolarHBondContact O-OG1 2.96Å; F465-Q469 HydrophobicContact CE1-CG 4.37Å; F465-Q469 PolarHBondContact O-N 3.34Å
466S75.6Confident77.2Confident46 Ų4669.4 Ų69.432%0.32240%0.398SS..Hα-helixtrans-58.1-40.1172.8-173.10000111.5L462 L463 T468 Q469 F470L462-S466 WeakPolarHBondContact O-CB 3.34Å; L462-S466 PolarHBondContact O-N 3.31Å; L463-S466 WeakPolarHBondContact O-CB 3.31Å; L463-S466 PolarHBondContact O-N 3.1Å; S466-T468 PolarHBondContact O-N 2.66Å; S466-Q469 PolarHBondContact O-N 2.94Å; S466-F470 PolarHBondContact O-N 3.28Å
467L76Confident76.5Confident37 Ų3769.5 Ų69.519%0.19440%0.404CS..Hα-helixtrans-67.1-14.4173-69.3163.1000114.1L463 L464 F465 F470 V472 V475 L574L463-L467 HydrophobicContact CD1-CD1 4.4Å; L463-L467 HydrophobicContact CG-CD1 4.28Å; L463-L467 VanDerWaalsContact O-CG 3.31Å; L463-L467 WeakPolarHBondContact O-CG 3.3Å; L463-L467 PolarHBondContact O-N 2.88Å; L464-L467 WeakPolarHBondContact O-CB 3.46Å; L464-L467 PolarHBondContact O-N 3.35Å; F465-L467 VanDerWaalsContact C-N 3.26Å; F465-L467 PolarHBondContact O-N 2.86Å; L467-F470 CarbonylContact C-O 3.28Å; L467-V472 HydrophobicContact CB-CG2 4.39Å; L467-V472 WeakPolarHBondContact O-CG2 3.47Å; L467-V475 HydrophobicContact CD2-CB 3.67Å; L467-V475 HydrophobicContact CD2-CG1 3.64Å; L467-V475 HydrophobicContact CD2-CG2 4.01Å; L467-L574 HydrophobicContact CB-CD1 3.83Å; L467-L574 WeakPolarHBondContact O-CD1 3.28Å
468T71.6Confident75.7Confident37 Ų3776.1 Ų76.123%0.22743%0.429CS..Hα-helixtrans-78.2-27.4167.970.30000112.7L464 F465 S466 L574 T575 I578L464-T468 PolarHBondContact O-N 3.1Å; F465-T468 WeakPolarHBondContact O-CA 3.37Å; F465-T468 WeakPolarHBondContact O-CB 3.33Å; F465-T468 PolarHBondContact O-N 3.06Å; F465-T468 PolarHBondContact O-OG1 2.96Å; S466-T468 PolarHBondContact O-N 2.66Å; T468-L574 HydrophobicContact CG2-CD1 3.91Å; T468-L574 HydrophobicContact CG2-CD2 4.03Å; T468-L574 HydrophobicContact CG2-CG 4.39Å; T468-T575 HydrophobicContact CG2-CG2 4.47Å; T468-I578 HydrophobicContact CG2-CD1 3.51Å
469Q68.4Low75Confident133 Ų13379.1 Ų79.162%0.62144%0.44SS*.Hα-helixtrans-93.5-38.1-176.6-55.4-57.2-60.500111.4F465 S466F465-Q469 HydrophobicContact CE1-CG 4.37Å; F465-Q469 PolarHBondContact O-N 3.34Å; S466-Q469 PolarHBondContact O-N 2.94Å
470F67.3Low74.1Confident132 Ų13278.3 Ų78.358%0.57944%0.437SS*.SBendtrans-102.9119.8173-63.1-78.7000109.7S466 L467 V472 V475S466-F470 PolarHBondContact O-N 3.28Å; L467-F470 CarbonylContact C-O 3.28Å; F470-V472 PolarHBondContact O-N 3.12Å; F470-V475 HydrophobicContact CB-CG2 3.72Å
471S68.7Low73.5Confident72 Ų7280.4 Ų80.450%0.50345%0.446SS..  trans-43.9121-176.1176.90000112.8V473 S474 V475S471-V473 PolarHBondContact O-N 2.82Å; S471-V473 VanDerWaalsContact O-N 3.07Å; S471-S474 PolarHBondContact O-N 2.66Å; S471-S474 PolarHBondContact O-OG 3.3Å; S471-V475 PolarHBondContact O-N 3.07Å
472V65.9Low72.6Confident74 Ų7480.5 Ų80.545%0.44845%0.454SS..Hα-helixtrans-51.5-36.4179.2-174.30000111.7L467 F470 G476 L574L467-V472 HydrophobicContact CB-CG2 4.39Å; L467-V472 WeakPolarHBondContact O-CG2 3.47Å; F470-V472 PolarHBondContact O-N 3.12Å; V472-G476 PolarHBondContact O-N 3.11Å; V472-L574 HydrophobicContact CG2-CD1 3.39Å; V472-L574 HydrophobicContact CG2-CG 4.26Å
473V67.8Low71.7Confident118 Ų11877.5 Ų77.572%0.71545%0.446SS*.Hα-helixtrans-65.1-43.4178.3-175.10000111.1S471 A477S471-V473 PolarHBondContact O-N 2.82Å; S471-V473 VanDerWaalsContact O-N 3.07Å; V473-A477 WeakPolarHBondContact O-CB 3.4Å; V473-A477 PolarHBondContact O-N 3.02Å
474S67.5Low71.2Confident45 Ų4577.5 Ų77.532%0.31545%0.446SS..Hα-helixtrans-74.3-40.3178.969.70000112.1S471 A477 Y478S471-S474 PolarHBondContact O-N 2.66Å; S471-S474 PolarHBondContact O-OG 3.3Å; S474-A477 PolarHBondContact O-N 3.46Å; S474-Y478 WeakPolarHBondContact O-CB 3.48Å; S474-Y478 WeakPolarHBondContact O-CD2 3.46Å; S474-Y478 PolarHBondContact O-N 3.09Å
475V68.4Low71Confident54 Ų5479.5 Ų79.533%0.32746%0.462SS..Hα-helixtrans-66.2-41177-176.70000111.2L467 F470 S471 Y478 L479L467-V475 HydrophobicContact CD2-CB 3.67Å; L467-V475 HydrophobicContact CD2-CG1 3.64Å; L467-V475 HydrophobicContact CD2-CG2 4.01Å; F470-V475 HydrophobicContact CB-CG2 3.72Å; S471-V475 PolarHBondContact O-N 3.07Å; V475-Y478 PolarHBondContact O-N 3.18Å; V475-L479 WeakPolarHBondContact O-CB 3.4Å; V475-L479 PolarHBondContact O-N 2.96Å
476G68.8Low70.5Confident41 Ų4176.6 Ų76.642%0.42346%0.46SS..Hα-helixtrans-61.3-44.3171.700000112.5V472 L479 A480V472-G476 PolarHBondContact O-N 3.11Å; G476-L479 PolarHBondContact O-N 3.48Å; G476-A480 WeakPolarHBondContact O-CB 3.28Å; G476-A480 PolarHBondContact O-N 2.83Å
477A71.5Confident70.5Confident46 Ų4677.6 Ų77.638%0.3846%0.464SS..Hα-helixtrans-63.5-43.8175.600000112.5V473 S474 A480 L481V473-A477 WeakPolarHBondContact O-CB 3.4Å; V473-A477 PolarHBondContact O-N 3.02Å; S474-A477 PolarHBondContact O-N 3.46Å; A477-A480 PolarHBondContact O-N 3.35Å; A477-L481 WeakPolarHBondContact O-CB 3.26Å; A477-L481 VanDerWaalsContact O-CG 3.22Å; A477-L481 WeakPolarHBondContact O-CG 3.27Å; A477-L481 PolarHBondContact O-N 3.28Å
478Y68.4Low70.5Confident162 Ų16280.4 Ų80.464%0.63548%0.479SS*.Hα-helixtrans-67-36.3177.3-73.3-55.7000112.6S474 V475 L481 A482S474-Y478 WeakPolarHBondContact O-CB 3.48Å; S474-Y478 WeakPolarHBondContact O-CD2 3.46Å; S474-Y478 PolarHBondContact O-N 3.09Å; V475-Y478 PolarHBondContact O-N 3.18Å; Y478-L481 HydrophobicContact CD1-CD1 4.32Å; Y478-L481 PolarHBondContact O-N 2.66Å; Y478-A482 VanDerWaalsContact O-CB 3.31Å; Y478-A482 WeakPolarHBondContact O-CB 3.36Å; Y478-A482 PolarHBondContact O-N 3.41Å
479L72.9Confident70.8Confident129 Ų12982.2 Ų82.268%0.67549%0.493SS*.Hα-helixtrans-66.8-41.5174-17463000111.6V475 G476 A482 A483V475-L479 WeakPolarHBondContact O-CB 3.4Å; V475-L479 PolarHBondContact O-N 2.96Å; G476-L479 PolarHBondContact O-N 3.48Å; L479-A482 PolarHBondContact O-N 3.25Å; L479-A483 PolarHBondContact O-N 2.91Å
480A68Low71Confident52 Ų5279.4 Ų79.443%0.4348%0.479SS..Hα-helixtrans-64.6-42.5173.500000112G476 A477 A482 A483 L484G476-A480 WeakPolarHBondContact O-CB 3.28Å; G476-A480 PolarHBondContact O-N 2.83Å; A477-A480 PolarHBondContact O-N 3.35Å; A480-A482 VanDerWaalsContact C-N 3.35Å; A480-A482 PolarHBondContact O-N 3.46Å; A480-A483 PolarHBondContact O-N 2.8Å; A480-L484 WeakPolarHBondContact O-CB 3.41Å; A480-L484 VanDerWaalsContact O-CG 3.31Å; A480-L484 WeakPolarHBondContact O-CG 3.49Å; A480-L484 PolarHBondContact O-N 3.28Å
481L74.6Confident71.3Confident99 Ų9979.8 Ų79.852%0.51848%0.476SS..Hα-helixtrans-64.3-36.6174.8-74.7168.7000112.2A477 Y478 L484 S485A477-L481 WeakPolarHBondContact O-CB 3.26Å; A477-L481 VanDerWaalsContact O-CG 3.22Å; A477-L481 WeakPolarHBondContact O-CG 3.27Å; A477-L481 PolarHBondContact O-N 3.28Å; Y478-L481 HydrophobicContact CD1-CD1 4.32Å; Y478-L481 PolarHBondContact O-N 2.66Å; L481-L484 PolarHBondContact O-N 2.78Å; L481-S485 VanDerWaalsContact O-CB 3.31Å; L481-S485 WeakPolarHBondContact O-CB 3.16Å; L481-S485 PolarHBondContact O-N 3.02Å; L481-S485 PolarHBondContact O-OG 2.79Å
482A68.2Low71.8Confident49 Ų4981.2 Ų81.241%0.40548%0.477SS..Hα-helixtrans-67.9-38.8174.100000112.2Y478 L479 A480 S485 A486Y478-A482 VanDerWaalsContact O-CB 3.31Å; Y478-A482 WeakPolarHBondContact O-CB 3.36Å; Y478-A482 PolarHBondContact O-N 3.41Å; L479-A482 PolarHBondContact O-N 3.25Å; A480-A482 VanDerWaalsContact C-N 3.35Å; A480-A482 PolarHBondContact O-N 3.46Å; A482-S485 WeakPolarHBondContact CA-OG 3.19Å; A482-S485 PolarHBondContact O-OG 3.45Å; A482-S485 VanDerWaalsContact O-OG 3.1Å; A482-A486 VanDerWaalsContact O-CB 3.26Å; A482-A486 WeakPolarHBondContact O-CB 3.37Å; A482-A486 PolarHBondContact O-N 3.46Å
483A67.3Low72.4Confident58 Ų5884.4 Ų84.448%0.47948%0.482SS..Hα-helixtrans-66-42.4173.100000111.8L479 A480 T487L479-A483 PolarHBondContact O-N 2.91Å; A480-A483 PolarHBondContact O-N 2.8Å; A483-T487 WeakPolarHBondContact O-CB 3.46Å; A483-T487 PolarHBondContact O-N 2.83Å; A483-T487 PolarHBondContact O-OG1 3.39Å
484L74.4Confident72.3Confident101 Ų10182.9 Ų82.953%0.52947%0.466SS..Hα-helixtrans-65.3-44.3174.5-72.8171.1000111.8A480 L481 T487 I488A480-L484 WeakPolarHBondContact O-CB 3.41Å; A480-L484 VanDerWaalsContact O-CG 3.31Å; A480-L484 WeakPolarHBondContact O-CG 3.49Å; A480-L484 PolarHBondContact O-N 3.28Å; L481-L484 PolarHBondContact O-N 2.78Å; L484-T487 WeakPolarHBondContact O-CB 3.23Å; L484-T487 PolarHBondContact O-N 3.14Å; L484-I488 WeakPolarHBondContact O-CB 3.31Å; L484-I488 VanDerWaalsContact O-CG1 3.28Å; L484-I488 WeakPolarHBondContact O-CG1 3.11Å; L484-I488 PolarHBondContact O-N 3.27Å
485S77.1Confident72.1Confident64 Ų6483.8 Ų83.845%0.44847%0.472SS..Hα-helixtrans-65.5-43.3178.770.90000111.2L481 A482 T487 I488 S489L481-S485 VanDerWaalsContact O-CB 3.31Å; L481-S485 WeakPolarHBondContact O-CB 3.16Å; L481-S485 PolarHBondContact O-N 3.02Å; L481-S485 PolarHBondContact O-OG 2.79Å; A482-S485 WeakPolarHBondContact CA-OG 3.19Å; A482-S485 PolarHBondContact O-OG 3.45Å; A482-S485 VanDerWaalsContact O-OG 3.1Å; S485-T487 VanDerWaalsContact C-N 3.3Å; S485-T487 PolarHBondContact O-N 3.41Å; S485-I488 PolarHBondContact O-N 3.19Å; S485-S489 VanDerWaalsContact O-CB 3.32Å; S485-S489 WeakPolarHBondContact O-CB 3.33Å; S485-S489 PolarHBondContact O-N 2.97Å; S485-S489 PolarHBondContact O-OG 2.64Å; S485-S489 VanDerWaalsContact O-OG 3.06Å
486A72.9Confident72.2Confident59 Ų5985 Ų8549%0.48848%0.479SS..Hα-helixtrans-59.7-40.6172.900000112A482 F490A482-A486 VanDerWaalsContact O-CB 3.26Å; A482-A486 WeakPolarHBondContact O-CB 3.37Å; A482-A486 PolarHBondContact O-N 3.46Å; A486-F490 VanDerWaalsContact O-CB 3.3Å; A486-F490 WeakPolarHBondContact O-CB 3.28Å; A486-F490 PolarHBondContact O-N 3.31Å
487T73.8Confident72.2Confident67 Ų6785.7 Ų85.741%0.41147%0.473SS..Hα-helixtrans-63.6-47176.3-59.70000111.4A483 L484 S485 F490 R491 F509A483-T487 WeakPolarHBondContact O-CB 3.46Å; A483-T487 PolarHBondContact O-N 2.83Å; A483-T487 PolarHBondContact O-OG1 3.39Å; L484-T487 WeakPolarHBondContact O-CB 3.23Å; L484-T487 PolarHBondContact O-N 3.14Å; S485-T487 VanDerWaalsContact C-N 3.3Å; S485-T487 PolarHBondContact O-N 3.41Å; T487-F490 PolarHBondContact O-N 2.87Å; T487-R491 PolarHBondContact O-N 2.86Å; T487-F509 HydrophobicContact CG2-CE1 4.15Å; T487-F509 HydrophobicContact CG2-CE2 3.97Å; T487-F509 HydrophobicContact CG2-CZ 3.61Å; T487-F509 VanDerWaalsContact O-CE2 3.28Å; T487-F509 WeakPolarHBondContact O-CE2 3.44Å; T487-F509 VanDerWaalsContact O-CZ 3.29Å; T487-F509 WeakPolarHBondContact O-CZ 3.19Å
488I76.1Confident71.8Confident97 Ų9786 Ų8650%0.49747%0.467SS..Hα-helixtrans-64.8-46.3177.9-67.9162.9000110.7L484 S485 F490 R491 I492L484-I488 WeakPolarHBondContact O-CB 3.31Å; L484-I488 VanDerWaalsContact O-CG1 3.28Å; L484-I488 WeakPolarHBondContact O-CG1 3.11Å; L484-I488 PolarHBondContact O-N 3.27Å; S485-I488 PolarHBondContact O-N 3.19Å; I488-F490 PolarHBondContact O-N 2.87Å; I488-R491 VanDerWaalsContact O-CB 3.27Å; I488-R491 WeakPolarHBondContact O-CB 3.34Å; I488-R491 PolarHBondContact O-N 3.32Å; I488-R491 VanDerWaalsContact O-N 3.16Å; I488-I492 HydrophobicContact CG2-CD1 3.84Å; I488-I492 WeakPolarHBondContact O-CG1 3.41Å; I488-I492 PolarHBondContact O-N 2.82Å
489S79.3Confident71.6Confident74 Ų7481.9 Ų81.952%0.51747%0.466SS..Hα-helixtrans-61.8-40.7177.4-66.20000112.4S485 I492 Y493S485-S489 VanDerWaalsContact O-CB 3.32Å; S485-S489 WeakPolarHBondContact O-CB 3.33Å; S485-S489 PolarHBondContact O-N 2.97Å; S485-S489 PolarHBondContact O-OG 2.64Å; S485-S489 VanDerWaalsContact O-OG 3.06Å; S489-I492 PolarHBondContact O-N 3.31Å; S489-Y493 VanDerWaalsContact O-CB 3.29Å; S489-Y493 WeakPolarHBondContact O-CB 3.33Å; S489-Y493 PolarHBondContact O-N 3.11Å
490F72.5Confident71.1Confident75 Ų7581 Ų8133%0.32947%0.466SS..Hα-helixtrans-67.2-36.7174.1-174.9-86.4000111.9A486 T487 I488 K494 P508 F509A486-F490 VanDerWaalsContact O-CB 3.3Å; A486-F490 WeakPolarHBondContact O-CB 3.28Å; A486-F490 PolarHBondContact O-N 3.31Å; T487-F490 PolarHBondContact O-N 2.87Å; I488-F490 PolarHBondContact O-N 2.87Å; F490-K494 HydrophobicContact CE1-CG 4.11Å; F490-K494 HydrophobicContact CZ-CG 4.23Å; F490-K494 PolarHBondContact O-N 3.39Å; F490-P508 HydrophobicContact CE1-CB 4.46Å; F490-F509 HydrophobicContact CB-CZ 3.94Å; F490-F509 HydrophobicContact CD1-CD1 4.47Å; F490-F509 AromaticContact CD1-CE1 3.76Å; F490-F509 HydrophobicContact CD1-CE1 3.76Å; F490-F509 AromaticContact CD1-CE2 3.81Å; F490-F509 HydrophobicContact CD1-CE2 3.81Å; F490-F509 AromaticContact CD1-CZ 3.39Å; F490-F509 HydrophobicContact CD1-CZ 3.39Å; F490-F509 HydrophobicContact CE1-CE1 4.21Å; F490-F509 HydrophobicContact CE1-CZ 4.24Å; F490-F509 HydrophobicContact CG-CZ 4.04Å
491R73.6Confident70.8Confident140 Ų14084.5 Ų84.553%0.52847%0.474SS..Hα-helixtrans-57.5-49.2172.3-154.5-175.2-172.1-144.63.4110.8T487 I488 S495 H507 P508 F509T487-R491 PolarHBondContact O-N 2.86Å; I488-R491 VanDerWaalsContact O-CB 3.27Å; I488-R491 WeakPolarHBondContact O-CB 3.34Å; I488-R491 PolarHBondContact O-N 3.32Å; I488-R491 VanDerWaalsContact O-N 3.16Å; R491-S495 WeakPolarHBondContact O-CB 3.42Å; R491-S495 PolarHBondContact O-N 3.36Å; R491-H507 PolarHBondContact NE-NE2 3.36Å; R491-H507 PolarHBondContact NH2-NE2 3.34Å; R491-P508 HydrophobicContact CG-CG 4.15Å; R491-F509 HydrophobicContact CB-CD2 4.44Å; R491-F509 HydrophobicContact CB-CE2 3.84Å; R491-F509 HydrophobicContact CG-CD2 4.32Å; R491-F509 HydrophobicContact CG-CE2 4.22Å
492I78.6Confident69.8Low101 Ų10189.2 Ų89.252%0.51849%0.49SS..Hα-helixtrans-66.6-50.7-179.3-65.2164.1000110.3I488 S489 K494 S495 V496I488-I492 HydrophobicContact CG2-CD1 3.84Å; I488-I492 WeakPolarHBondContact O-CG1 3.41Å; I488-I492 PolarHBondContact O-N 2.82Å; S489-I492 PolarHBondContact O-N 3.31Å; I492-K494 VanDerWaalsContact C-N 3.34Å; I492-K494 PolarHBondContact O-N 3.29Å; I492-S495 PolarHBondContact O-N 3.48Å; I492-S495 VanDerWaalsContact O-N 3.08Å; I492-V496 HydrophobicContact CG2-CG2 4.39Å; I492-V496 WeakPolarHBondContact O-CG2 3.4Å; I492-V496 PolarHBondContact O-N 2.72Å
493Y78.8Confident69.1Low141 Ų14190.9 Ų90.955%0.55350%0.495SS*.Hα-helixtrans-52.2-50.3178.9170.3-105.9000112.2S489 V496 L497S489-Y493 VanDerWaalsContact O-CB 3.29Å; S489-Y493 WeakPolarHBondContact O-CB 3.33Å; S489-Y493 PolarHBondContact O-N 3.11Å; Y493-V496 PolarHBondContact O-N 2.87Å; Y493-L497 HydrophobicContact CD2-CD1 4.42Å; Y493-L497 HydrophobicContact CE1-CD2 4.15Å; Y493-L497 HydrophobicContact CE2-CD1 3.93Å; Y493-L497 PolarHBondContact O-N 2.71Å; Y493-L497 VanDerWaalsContact O-N 3.07Å
494K66.3Low68.3Low87 Ų8796 Ų9638%0.37852%0.515SS..Hα-helixtrans-72.8-32.1177.1-80.7-119-174.4178.70113.6F490 I492 V496 L497 Q498 P508F490-K494 HydrophobicContact CE1-CG 4.11Å; F490-K494 HydrophobicContact CZ-CG 4.23Å; F490-K494 PolarHBondContact O-N 3.39Å; I492-K494 VanDerWaalsContact C-N 3.34Å; I492-K494 PolarHBondContact O-N 3.29Å; K494-V496 VanDerWaalsContact C-N 3.31Å; K494-L497 WeakPolarHBondContact O-CB 3.49Å; K494-L497 PolarHBondContact O-N 2.77Å; K494-Q498 WeakPolarHBondContact O-CG 3.38Å; K494-Q498 PolarHBondContact O-N 3.31Å; K494-P508 HydrophobicContact CB-CB 3.21Å; K494-P508 HydrophobicContact CB-CG 3.85Å; K494-P508 HydrophobicContact CD-CB 3.74Å; K494-P508 HydrophobicContact CG-CB 3.74Å
495S62.3Low67.2Low63 Ų6398.9 Ų98.944%0.44153%0.525SS..Hα-helixtrans-64.9-36.1174.7-179.90000111.9R491 I492 A499R491-S495 WeakPolarHBondContact O-CB 3.42Å; R491-S495 PolarHBondContact O-N 3.36Å; I492-S495 PolarHBondContact O-N 3.48Å; I492-S495 VanDerWaalsContact O-N 3.08Å; S495-A499 WeakPolarHBondContact O-CB 3.34Å; S495-A499 PolarHBondContact O-N 3.4Å
496V71.3Confident66.3Low80 Ų8098.1 Ų98.149%0.48553%0.527SS..Hα-helixtrans-67.1-43.5170.2175.60000110.8I492 Y493 K494 Q498 A499 V500I492-V496 HydrophobicContact CG2-CG2 4.39Å; I492-V496 WeakPolarHBondContact O-CG2 3.4Å; I492-V496 PolarHBondContact O-N 2.72Å; Y493-V496 PolarHBondContact O-N 2.87Å; K494-V496 VanDerWaalsContact C-N 3.31Å; V496-Q498 PolarHBondContact O-N 3.31Å; V496-A499 PolarHBondContact O-N 2.83Å; V496-V500 HydrophobicContact CG1-CG2 4.31Å; V496-V500 WeakPolarHBondContact O-CB 3.22Å; V496-V500 VanDerWaalsContact O-CG2 3.29Å; V496-V500 WeakPolarHBondContact O-CG2 3.28Å; V496-V500 PolarHBondContact O-N 3.41Å
497L68.2Low65.4Low56 Ų5698.6 Ų98.629%0.29352%0.519SS..Hα-helixtrans-58.6-44173.9-105.363000112.6Y493 K494 V500 Q501Y493-L497 HydrophobicContact CD2-CD1 4.42Å; Y493-L497 HydrophobicContact CE1-CD2 4.15Å; Y493-L497 HydrophobicContact CE2-CD1 3.93Å; Y493-L497 PolarHBondContact O-N 2.71Å; Y493-L497 VanDerWaalsContact O-N 3.07Å; K494-L497 WeakPolarHBondContact O-CB 3.49Å; K494-L497 PolarHBondContact O-N 2.77Å; L497-V500 PolarHBondContact O-N 2.76Å; L497-Q501 WeakPolarHBondContact O-CB 3.4Å; L497-Q501 WeakPolarHBondContact O-CG 3.32Å; L497-Q501 PolarHBondContact O-N 2.91Å
498Q64.3Low64.6Low52 Ų5296.2 Ų96.224%0.24351%0.505CS..Hα-helixtrans-58.8-48.1174.6-75.4165.1-33.500111.2K494 V496 V500 Q501 K502 E505K494-Q498 WeakPolarHBondContact O-CG 3.38Å; K494-Q498 PolarHBondContact O-N 3.31Å; V496-Q498 PolarHBondContact O-N 3.31Å; Q498-V500 VanDerWaalsContact C-N 3.31Å; Q498-V500 PolarHBondContact O-N 3.06Å; Q498-Q501 PolarHBondContact O-N 3.34Å; Q498-K502 PolarHBondContact O-N 2.83Å; Q498-K502 VanDerWaalsContact O-N 3.11Å; Q498-E505 PolarHBondContact NE2-O 2.87Å
499A63.3Low63.5Low76 Ų7693.3 Ų93.363%0.62849%0.488SS*.Hα-helixtrans-63.4-34.1178.100000113.4S495 V496S495-A499 WeakPolarHBondContact O-CB 3.34Å; S495-A499 PolarHBondContact O-N 3.4Å; V496-A499 PolarHBondContact O-N 2.83Å
500V63.2Low62.4Low111 Ų11194.6 Ų94.667%0.67349%0.485SS*.Hα-helixtrans-76-34.7177.51690000112.3V496 L497 Q498V496-V500 HydrophobicContact CG1-CG2 4.31Å; V496-V500 WeakPolarHBondContact O-CB 3.22Å; V496-V500 VanDerWaalsContact O-CG2 3.29Å; V496-V500 WeakPolarHBondContact O-CG2 3.28Å; V496-V500 PolarHBondContact O-N 3.41Å; L497-V500 PolarHBondContact O-N 2.76Å; Q498-V500 VanDerWaalsContact C-N 3.31Å; Q498-V500 PolarHBondContact O-N 3.06Å
501Q60.6Low61.6Low125 Ų12594.2 Ų94.258%0.58450%0.495SS*.Hα-helixtrans-92.2-15.4-172.5-68.6179.2-12.700114.5L497 Q498 T503L497-Q501 WeakPolarHBondContact O-CB 3.4Å; L497-Q501 WeakPolarHBondContact O-CG 3.32Å; L497-Q501 PolarHBondContact O-N 2.91Å; Q498-Q501 PolarHBondContact O-N 3.34Å; Q501-T503 PolarHBondContact O-N 3.48Å; Q501-T503 VanDerWaalsContact O-N 3.12Å
502K54.7Low60.6Low197 Ų19792.9 Ų92.986%0.85749%0.491SS*.  trans53.825.5-179.6-67-167.3174.8-173.20114.8Q498Q498-K502 PolarHBondContact O-N 2.83Å; Q498-K502 VanDerWaalsContact O-N 3.11Å
503T51.9Low59.6Low84 Ų8493.7 Ų93.752%0.51550%0.496SS..  trans-100.8134.7177.239.80000111Q501 E505Q501-T503 PolarHBondContact O-N 3.48Å; Q501-T503 VanDerWaalsContact O-N 3.12Å; T503-E505 VanDerWaalsContact C-N 3.3Å; T503-E505 PolarHBondContact O-N 3.05Å
504D50.2Low58.5Low167 Ų16792.8 Ų92.889%0.89350%0.497SS*.  trans-86.262-171.3-164.917.7000112.9
505E52.3Low57.5Low161 Ų16192.9 Ų92.975%0.75250%0.5SS*.  trans-110.590.2168.8-73.7-163.3131.100110Q498 T503Q498-E505 PolarHBondContact NE2-O 2.87Å; T503-E505 VanDerWaalsContact C-N 3.3Å; T503-E505 PolarHBondContact O-N 3.05Å
506G57.3Low56.8Low47 Ų4796.8 Ų96.849%0.48551%0.511SS..  trans-66.8148-171.200000116.3
507H56Low55.8Low70 Ų70100.4 Ų100.432%0.32453%0.526SS..  trans48.6113176-158.3-113.6000117R491 F509 K510R491-H507 PolarHBondContact NE-NE2 3.36Å; R491-H507 PolarHBondContact NH2-NE2 3.34Å; H507-F509 PolarHBondContact O-N 2.79Å; H507-K510 HydrophobicContact CB-CG 4.41Å; H507-K510 WeakPolarHBondContact O-CB 3.42Å; H507-K510 PolarHBondContact O-N 3.01Å
508P56.6Low54.8Low16 Ų16101 Ų10110%0.10454%0.539CS..THydrogen-bonded Turntrans-70.6-11.1-169.930.8-38.7000116.1F490 R491 K494F490-P508 HydrophobicContact CE1-CB 4.46Å; R491-P508 HydrophobicContact CG-CG 4.15Å; K494-P508 HydrophobicContact CB-CB 3.21Å; K494-P508 HydrophobicContact CB-CG 3.85Å; K494-P508 HydrophobicContact CD-CB 3.74Å; K494-P508 HydrophobicContact CG-CB 3.74Å
509F53.3Low54.1Low36 Ų36104.7 Ų104.716%0.15856%0.558CS.*THydrogen-bonded Turntrans-102.37.4171.6-70.2-79.9000113.5T487 F490 R491 H507 A511 Y512 L513T487-F509 HydrophobicContact CG2-CE1 4.15Å; T487-F509 HydrophobicContact CG2-CE2 3.97Å; T487-F509 HydrophobicContact CG2-CZ 3.61Å; T487-F509 VanDerWaalsContact O-CE2 3.28Å; T487-F509 WeakPolarHBondContact O-CE2 3.44Å; T487-F509 VanDerWaalsContact O-CZ 3.29Å; T487-F509 WeakPolarHBondContact O-CZ 3.19Å; F490-F509 HydrophobicContact CB-CZ 3.94Å; F490-F509 HydrophobicContact CD1-CD1 4.47Å; F490-F509 AromaticContact CD1-CE1 3.76Å; F490-F509 HydrophobicContact CD1-CE1 3.76Å; F490-F509 AromaticContact CD1-CE2 3.81Å; F490-F509 HydrophobicContact CD1-CE2 3.81Å; F490-F509 AromaticContact CD1-CZ 3.39Å; F490-F509 HydrophobicContact CD1-CZ 3.39Å; F490-F509 HydrophobicContact CE1-CE1 4.21Å; F490-F509 HydrophobicContact CE1-CZ 4.24Å; F490-F509 HydrophobicContact CG-CZ 4.04Å; R491-F509 HydrophobicContact CB-CD2 4.44Å; R491-F509 HydrophobicContact CB-CE2 3.84Å; R491-F509 HydrophobicContact CG-CD2 4.32Å; R491-F509 HydrophobicContact CG-CE2 4.22Å; H507-F509 PolarHBondContact O-N 2.79Å; F509-A511 PolarHBondContact O-N 2.73Å; F509-Y512 CarbonylContact O-C 3.57Å; F509-Y512 WeakPolarHBondContact O-CA 3.12Å; F509-Y512 PolarHBondContact O-N 2.76Å; F509-L513 HydrophobicContact CB-CD1 3.81Å; F509-L513 HydrophobicContact CB-CG 4.12Å; F509-L513 WeakPolarHBondContact O-CB 3.27Å; F509-L513 WeakPolarHBondContact O-CG 3.37Å; F509-L513 PolarHBondContact O-N 3.45Å
510K54.4Low53.6Low102 Ų102103.3 Ų103.344%0.44354%0.543SS..Hα-helixtrans-53-57.1178.3-121.2-177.8160.2-90.60110.6H507 Y512 L513 E514H507-K510 HydrophobicContact CB-CG 4.41Å; H507-K510 WeakPolarHBondContact O-CB 3.42Å; H507-K510 PolarHBondContact O-N 3.01Å; K510-Y512 PolarHBondContact O-N 3.03Å; K510-L513 PolarHBondContact O-N 2.61Å; K510-E514 WeakPolarHBondContact CB-OE2 3.16Å; K510-E514 HydrophobicContact CG-CG 4.39Å; K510-E514 VanDerWaalsContact CG-OE2 3.26Å; K510-E514 WeakPolarHBondContact CG-OE2 3.09Å; K510-E514 IonicContact NZ-OE1 2.61Å; K510-E514 PolarHBondContact NZ-OE1 3.27Å; K510-E514 IonicContact NZ-OE2 3.42Å; K510-E514 PolarHBondContact NZ-OE2 2.91Å; K510-E514 WeakPolarHBondContact O-CA 3.36Å; K510-E514 WeakPolarHBondContact O-CB 3.48Å; K510-E514 VanDerWaalsContact O-CG 3.32Å; K510-E514 WeakPolarHBondContact O-CG 3.19Å; K510-E514 PolarHBondContact O-N 3.18Å
511A55.6Low53.4Low66 Ų66106.1 Ų106.155%0.54555%0.549SS..Hα-helixtrans-68.910.8174.700000116.8K426 F509K426-A511 PolarHBondContact NZ-O 2.61Å; K426-A511 VanDerWaalsContact NZ-O 3.12Å; F509-A511 PolarHBondContact O-N 2.73Å
512Y54.2Low53.7Low113 Ų113105.3 Ų105.344%0.44355%0.549SS..Hα-helixtrans-125.7-12172.6-83.8-78.7000113.7F509 K510F509-Y512 CarbonylContact O-C 3.57Å; F509-Y512 WeakPolarHBondContact O-CA 3.12Å; F509-Y512 PolarHBondContact O-N 2.76Å; K510-Y512 PolarHBondContact O-N 3.03Å
513L56.9Low54.3Low118 Ų11899.3 Ų99.362%0.61852%0.524SS*.Hα-helixtrans-101.9-37.9170-68.9162.6000110F509 K510 M515F509-L513 HydrophobicContact CB-CD1 3.81Å; F509-L513 HydrophobicContact CB-CG 4.12Å; F509-L513 WeakPolarHBondContact O-CB 3.27Å; F509-L513 WeakPolarHBondContact O-CG 3.37Å; F509-L513 PolarHBondContact O-N 3.45Å; K510-L513 PolarHBondContact O-N 2.61Å; L513-M515 VanDerWaalsContact C-N 3.28Å
514E54.6Low55.5Low121 Ų12199 Ų9957%0.56552%0.518SS*.THydrogen-bonded Turntrans-79.6-9.8164-54.6173.4138.500111.8K510 E516K510-E514 WeakPolarHBondContact CB-OE2 3.16Å; K510-E514 HydrophobicContact CG-CG 4.39Å; K510-E514 VanDerWaalsContact CG-OE2 3.26Å; K510-E514 WeakPolarHBondContact CG-OE2 3.09Å; K510-E514 IonicContact NZ-OE1 2.61Å; K510-E514 PolarHBondContact NZ-OE1 3.27Å; K510-E514 IonicContact NZ-OE2 3.42Å; K510-E514 PolarHBondContact NZ-OE2 2.91Å; K510-E514 WeakPolarHBondContact O-CA 3.36Å; K510-E514 WeakPolarHBondContact O-CB 3.48Å; K510-E514 VanDerWaalsContact O-CG 3.32Å; K510-E514 WeakPolarHBondContact O-CG 3.19Å; K510-E514 PolarHBondContact O-N 3.18Å; E514-E516 PolarHBondContact O-N 2.75Å; E514-E516 VanDerWaalsContact O-N 3.14Å
515M46.4Very low56.8Low90 Ų9093.3 Ų93.344%0.44349%0.492SS..SBendtrans-78.483.2145.9-171.3168.386.100107.1K426 L513K426-M515 HydrophobicContact CD-CE 4.16Å; K426-M515 HydrophobicContact CD-SD 3.52Å; K426-M515 VanDerWaalsContact CD-SD 3.52Å; K426-M515 WeakPolarHBondContact CE-SD 3.38Å; K426-M515 HydrophobicContact CG-CE 4.43Å; K426-M515 HydrophobicContact CG-SD 4.36Å; K426-M515 PolarHBondContact NZ-SD 2.98Å; L513-M515 VanDerWaalsContact C-N 3.28Å
516E47.4Very low58.3Low145 Ų14590.8 Ų90.868%0.67848%0.478SS*.  trans-51.1159.3164.3-65.4-172.9121.200110.1E514 A518E514-E516 PolarHBondContact O-N 2.75Å; E514-E516 VanDerWaalsContact O-N 3.14Å; E516-A518 HydrophobicContact CB-CB 4.01Å; E516-A518 PolarHBondContact O-N 2.96Å
517I49.5Very low59.4Low156 Ų15694.6 Ų94.680%0.848%0.479SS*.  trans-77.245.5170.5-60162.8000108.7M519 I524I517-M519 PolarHBondContact O-N 3.09Å; I517-I524 VanDerWaalsContact O-CD1 3.3Å; I517-I524 WeakPolarHBondContact O-CD1 3.46Å
518A49.1Very low60.9Low68 Ų6893.6 Ų93.656%0.56248%0.482SS*.  trans-79.345.1-179.800000112E516 S520E516-A518 HydrophobicContact CB-CB 4.01Å; E516-A518 PolarHBondContact O-N 2.96Å; A518-S520 PolarHBondContact O-N 2.81Å; A518-S520 VanDerWaalsContact O-N 3.14Å
519M48Very low62.4Low130 Ų13097.5 Ų97.564%0.6450%0.502SS*.SBendtrans-54.4116.1141.5-179.6176.1-63.800104.6I517 Q523 I524I517-M519 PolarHBondContact O-N 3.09Å; M519-Q523 HydrophobicContact CG-CB 4.49Å; M519-I524 HydrophobicContact CB-CD1 4.27Å; M519-I524 HydrophobicContact CB-CG1 4.38Å; M519-I524 WeakPolarHBondContact O-CD1 3.23Å; M519-I524 VanDerWaalsContact O-CG1 3.32Å; M519-I524 WeakPolarHBondContact O-CG1 3.37Å
520S52.6Low64.1Low47 Ų47100 Ų10033%0.32951%0.513SS..  trans-48.6143.8-146.9950000113A518 D522 Q523 I524A518-S520 PolarHBondContact O-N 2.81Å; A518-S520 VanDerWaalsContact O-N 3.14Å; S520-D522 PolarHBondContact O-N 2.8Å; S520-D522 PolarHBondContact OG-OD2 3.33Å; S520-Q523 CarbonylContact O-C 3.41Å; S520-Q523 WeakPolarHBondContact O-CA 3.3Å; S520-Q523 PolarHBondContact O-N 3.16Å; S520-Q523 PolarHBondContact OG-N 2.94Å; S520-I524 PolarHBondContact O-N 2.84Å
521Q59.4Low65.7Low169 Ų169100.7 Ų100.779%0.7952%0.521SS*.Hα-helixtrans-55.1-29-177-170.7171-13.700111.4S525Q521-S525 WeakPolarHBondContact O-CB 3.2Å; Q521-S525 PolarHBondContact O-N 3.18Å; Q521-S525 PolarHBondContact O-OG 3.35Å
522D67.4Low67.2Low109 Ų109102.6 Ų102.658%0.58352%0.521SS*.Hα-helixtrans-71.4-29.9171.2-36-86.2000114.9S520 S525 K526S520-D522 PolarHBondContact O-N 2.8Å; S520-D522 PolarHBondContact OG-OD2 3.33Å; D522-S525 WeakPolarHBondContact CA-OG 3.36Å; D522-S525 PolarHBondContact O-OG 3.27Å; D522-K526 WeakPolarHBondContact O-CB 3.26Å; D522-K526 PolarHBondContact O-N 2.9Å
523Q67.9Low68.9Low70 Ų70102.5 Ų102.533%0.32753%0.528SS..Hα-helixtrans-76.7-44.9169.5-62.6-34.8-67.500110.9M519 S520 K526 Y527M519-Q523 HydrophobicContact CG-CB 4.49Å; S520-Q523 CarbonylContact O-C 3.41Å; S520-Q523 WeakPolarHBondContact O-CA 3.3Å; S520-Q523 PolarHBondContact O-N 3.16Å; S520-Q523 PolarHBondContact OG-N 2.94Å; Q523-K526 PolarHBondContact O-N 2.84Å; Q523-Y527 HydrophobicContact CB-CD2 4.35Å; Q523-Y527 HydrophobicContact CB-CE2 4.33Å; Q523-Y527 WeakPolarHBondContact O-CB 3.39Å; Q523-Y527 WeakPolarHBondContact O-CD2 3.47Å; Q523-Y527 PolarHBondContact O-N 3.28Å
524I76Confident70.6Confident79 Ų79104.8 Ų104.841%0.40553%0.529SS..Hα-helixtrans-62.7-43.9177.4-70.3176.9000110.2I517 M519 S520 Y527 A528I517-I524 VanDerWaalsContact O-CD1 3.3Å; I517-I524 WeakPolarHBondContact O-CD1 3.46Å; M519-I524 HydrophobicContact CB-CD1 4.27Å; M519-I524 HydrophobicContact CB-CG1 4.38Å; M519-I524 WeakPolarHBondContact O-CD1 3.23Å; M519-I524 VanDerWaalsContact O-CG1 3.32Å; M519-I524 WeakPolarHBondContact O-CG1 3.37Å; S520-I524 PolarHBondContact O-N 2.84Å; I524-Y527 PolarHBondContact O-N 3.35Å; I524-A528 WeakPolarHBondContact O-CB 3.04Å; I524-A528 PolarHBondContact O-N 2.92Å
525S77.8Confident72.2Confident47 Ų47102.1 Ų102.133%0.32952%0.524SS..Hα-helixtrans-62.9-49.7172.667.80000111Q521 D522 Y527 A528 D529Q521-S525 WeakPolarHBondContact O-CB 3.2Å; Q521-S525 PolarHBondContact O-N 3.18Å; Q521-S525 PolarHBondContact O-OG 3.35Å; D522-S525 WeakPolarHBondContact CA-OG 3.36Å; D522-S525 PolarHBondContact O-OG 3.27Å; S525-Y527 VanDerWaalsContact C-N 3.25Å; S525-Y527 PolarHBondContact O-N 2.84Å; S525-Y527 VanDerWaalsContact O-N 3.16Å; S525-A528 CarbonylContact O-C 3.59Å; S525-A528 WeakPolarHBondContact O-CA 3.4Å; S525-A528 PolarHBondContact O-N 3.49Å; S525-D529 VanDerWaalsContact O-CB 3.26Å; S525-D529 WeakPolarHBondContact O-CB 3.43Å; S525-D529 PolarHBondContact O-N 2.82Å
526K84.5Confident74.2Confident107 Ų107101.6 Ų101.647%0.46552%0.523SS..Hα-helixtrans-61.5-26.9178.3-177.5177.2-173.3177.30114.4D522 Q523 K530D522-K526 WeakPolarHBondContact O-CB 3.26Å; D522-K526 PolarHBondContact O-N 2.9Å; Q523-K526 PolarHBondContact O-N 2.84Å; K526-K530 WeakPolarHBondContact O-CB 3.38Å; K526-K530 VanDerWaalsContact O-CD 3.27Å; K526-K530 WeakPolarHBondContact O-CD 3.38Å; K526-K530 WeakPolarHBondContact O-CG 3.48Å; K526-K530 PolarHBondContact O-N 2.81Å
527Y80.4Confident76.1Confident128 Ų12897.5 Ų97.550%0.50251%0.508SS..Hα-helixtrans-81.7-41.8170.1-75.6-60.9000111.7Q523 I524 S525 K530 I531Q523-Y527 HydrophobicContact CB-CD2 4.35Å; Q523-Y527 HydrophobicContact CB-CE2 4.33Å; Q523-Y527 WeakPolarHBondContact O-CB 3.39Å; Q523-Y527 WeakPolarHBondContact O-CD2 3.47Å; Q523-Y527 PolarHBondContact O-N 3.28Å; I524-Y527 PolarHBondContact O-N 3.35Å; S525-Y527 VanDerWaalsContact C-N 3.25Å; S525-Y527 PolarHBondContact O-N 2.84Å; S525-Y527 VanDerWaalsContact O-N 3.16Å; Y527-K530 PolarHBondContact O-N 2.82Å; Y527-I531 WeakPolarHBondContact O-CB 3.17Å; Y527-I531 WeakPolarHBondContact O-CD1 3.44Å; Y527-I531 WeakPolarHBondContact O-CG1 3.43Å; Y527-I531 PolarHBondContact O-N 2.76Å
528A86.9Confident77.7Confident48 Ų4893.2 Ų93.240%0.39749%0.491SS..Hα-helixtrans-59.8-53.2173.900000110.8I524 S525 K530 I531 L532I524-A528 WeakPolarHBondContact O-CB 3.04Å; I524-A528 PolarHBondContact O-N 2.92Å; S525-A528 CarbonylContact O-C 3.59Å; S525-A528 WeakPolarHBondContact O-CA 3.4Å; S525-A528 PolarHBondContact O-N 3.49Å; A528-K530 VanDerWaalsContact C-N 3.31Å; A528-K530 PolarHBondContact O-N 3.3Å; A528-I531 CarbonylContact O-C 3.49Å; A528-I531 PolarHBondContact O-N 3.09Å; A528-I531 VanDerWaalsContact O-N 3.08Å; A528-L532 WeakPolarHBondContact O-CB 3.44Å; A528-L532 PolarHBondContact O-N 3.22Å
529D88.4Confident79.4Confident98 Ų9895.1 Ų95.152%0.52449%0.49SS..Hα-helixtrans-56.7-39.3175.1-67.7-28.5000112.4S525 L533S525-D529 VanDerWaalsContact O-CB 3.26Å; S525-D529 WeakPolarHBondContact O-CB 3.43Å; S525-D529 PolarHBondContact O-N 2.82Å; D529-L533 WeakPolarHBondContact O-CB 3.17Å; D529-L533 PolarHBondContact O-N 3.47Å
530K88.4Confident81.1Confident89 Ų8995.2 Ų95.239%0.38749%0.486SS..Hα-helixtrans-64.5-49.6171.8-82.3172.7-176-1800111.4K526 Y527 A528 L532 L533 Y534K526-K530 WeakPolarHBondContact O-CB 3.38Å; K526-K530 VanDerWaalsContact O-CD 3.27Å; K526-K530 WeakPolarHBondContact O-CD 3.38Å; K526-K530 WeakPolarHBondContact O-CG 3.48Å; K526-K530 PolarHBondContact O-N 2.81Å; Y527-K530 PolarHBondContact O-N 2.82Å; A528-K530 VanDerWaalsContact C-N 3.31Å; A528-K530 PolarHBondContact O-N 3.3Å; K530-L532 VanDerWaalsContact C-N 3.27Å; K530-L532 PolarHBondContact O-N 2.89Å; K530-L533 PolarHBondContact O-N 3.32Å; K530-Y534 HydrophobicContact CB-CD2 4.38Å; K530-Y534 HydrophobicContact CB-CE2 4.22Å; K530-Y534 WeakPolarHBondContact O-CB 3.37Å; K530-Y534 WeakPolarHBondContact O-CD2 3.05Å; K530-Y534 PolarHBondContact O-N 3.25Å
531I87.1Confident82.5Confident117 Ų11796.6 Ų96.660%0.649%0.488SS*.Hα-helixtrans-62.8-38.1178.5-69.5163.9000110.3Y527 A528 S535Y527-I531 WeakPolarHBondContact O-CB 3.17Å; Y527-I531 WeakPolarHBondContact O-CD1 3.44Å; Y527-I531 WeakPolarHBondContact O-CG1 3.43Å; Y527-I531 PolarHBondContact O-N 2.76Å; A528-I531 CarbonylContact O-C 3.49Å; A528-I531 PolarHBondContact O-N 3.09Å; A528-I531 VanDerWaalsContact O-N 3.08Å; I531-S535 WeakPolarHBondContact O-CA 3.21Å; I531-S535 WeakPolarHBondContact O-CB 3.39Å; I531-S535 PolarHBondContact O-N 2.91Å
532L87.8Confident83.5Confident106 Ų10691.9 Ų91.956%0.55547%0.467SS*.Hα-helixtrans-70.3-38.2177.4-154.589.5000110.9A528 K530 N536A528-L532 WeakPolarHBondContact O-CB 3.44Å; A528-L532 PolarHBondContact O-N 3.22Å; K530-L532 VanDerWaalsContact C-N 3.27Å; K530-L532 PolarHBondContact O-N 2.89Å; L532-N536 WeakPolarHBondContact O-CB 3.41Å; L532-N536 PolarHBondContact O-N 2.98Å; L532-N536 PolarHBondContact O-ND2 3.48Å
533L90.4Very high84.2Confident111 Ų11193.9 Ų93.958%0.58147%0.467SS*.Hα-helixtrans-68.2-48.4174.117863000111.1D529 K530 N536 T537D529-L533 WeakPolarHBondContact O-CB 3.17Å; D529-L533 PolarHBondContact O-N 3.47Å; K530-L533 PolarHBondContact O-N 3.32Å; L533-N536 PolarHBondContact O-N 3.15Å; L533-T537 VanDerWaalsContact O-CB 3.24Å; L533-T537 WeakPolarHBondContact O-CB 3.24Å; L533-T537 PolarHBondContact O-N 3.42Å; L533-T537 PolarHBondContact O-OG1 2.91Å
534Y91.6Very high84.8Confident166 Ų16694.5 Ų94.565%0.65147%0.466SS*.Hα-helixtrans-62.3-42.4174.6-69.9-54.4000111.4K530 T537 C538K530-Y534 HydrophobicContact CB-CD2 4.38Å; K530-Y534 HydrophobicContact CB-CE2 4.22Å; K530-Y534 WeakPolarHBondContact O-CB 3.37Å; K530-Y534 WeakPolarHBondContact O-CD2 3.05Å; K530-Y534 PolarHBondContact O-N 3.25Å; Y534-T537 PolarHBondContact O-N 2.79Å; Y534-C538 WeakPolarHBondContact O-CB 3.41Å; Y534-C538 PolarHBondContact O-N 3.41Å
535S88.3Confident85.1Confident64 Ų6492.3 Ų92.345%0.44846%0.455SS..Hα-helixtrans-66-46176.6-178.10000112I531 T537 C538 M539I531-S535 WeakPolarHBondContact O-CA 3.21Å; I531-S535 WeakPolarHBondContact O-CB 3.39Å; I531-S535 PolarHBondContact O-N 2.91Å; S535-T537 VanDerWaalsContact C-N 3.3Å; S535-T537 PolarHBondContact O-N 2.91Å; S535-C538 WeakPolarHBondContact O-CB 3.43Å; S535-C538 PolarHBondContact O-N 3.2Å; S535-M539 VanDerWaalsContact O-CB 3.28Å; S535-M539 WeakPolarHBondContact O-CB 3.35Å; S535-M539 WeakPolarHBondContact O-CG 3.44Å; S535-M539 PolarHBondContact O-N 3.44Å
536N88.6Confident84.8Confident79 Ų7998 Ų9842%0.42247%0.474SS..Hα-helixtrans-66-31.2175-85.6-79.3000112.8L532 L533 K540L532-N536 WeakPolarHBondContact O-CB 3.41Å; L532-N536 PolarHBondContact O-N 2.98Å; L532-N536 PolarHBondContact O-ND2 3.48Å; L533-N536 PolarHBondContact O-N 3.15Å; N536-K540 WeakPolarHBondContact O-CB 3.45Å; N536-K540 WeakPolarHBondContact O-CD 3.42Å; N536-K540 WeakPolarHBondContact O-CG 3.29Å; N536-K540 PolarHBondContact O-N 3.23Å
537T87.3Confident84.2Confident59 Ų5999 Ų9936%0.36248%0.484SS..Hα-helixtrans-72.6-47175.2-55.10000109.9L533 Y534 S535 M539 K540 E541L533-T537 VanDerWaalsContact O-CB 3.24Å; L533-T537 WeakPolarHBondContact O-CB 3.24Å; L533-T537 PolarHBondContact O-N 3.42Å; L533-T537 PolarHBondContact O-OG1 2.91Å; Y534-T537 PolarHBondContact O-N 2.79Å; S535-T537 VanDerWaalsContact C-N 3.3Å; S535-T537 PolarHBondContact O-N 2.91Å; T537-M539 VanDerWaalsContact C-N 3.34Å; T537-M539 PolarHBondContact O-N 3.38Å; T537-K540 WeakPolarHBondContact O-CB 3.36Å; T537-K540 PolarHBondContact O-N 2.76Å; T537-E541 WeakPolarHBondContact O-CG 3.49Å; T537-E541 PolarHBondContact O-N 3.03Å
538C84.1Confident83.7Confident67 Ų6796.2 Ų96.245%0.45348%0.48SS..Hα-helixtrans-54-48.5170.9-172.20000111.3Y534 S535 K540 E541 L542Y534-C538 WeakPolarHBondContact O-CB 3.41Å; Y534-C538 PolarHBondContact O-N 3.41Å; S535-C538 WeakPolarHBondContact O-CB 3.43Å; S535-C538 PolarHBondContact O-N 3.2Å; C538-K540 VanDerWaalsContact C-N 3.29Å; C538-K540 PolarHBondContact O-N 3.01Å; C538-E541 PolarHBondContact O-N 2.96Å; C538-L542 WeakPolarHBondContact O-CB 3.47Å; C538-L542 WeakPolarHBondContact O-CD1 3.1Å; C538-L542 PolarHBondContact O-N 2.87Å
539M84.8Confident83Confident108 Ų108100.8 Ų100.853%0.53249%0.493SS..Hα-helixtrans-64.9-24.5176.1-73.6-79.2-78.900114.2S535 T537 R543S535-M539 VanDerWaalsContact O-CB 3.28Å; S535-M539 WeakPolarHBondContact O-CB 3.35Å; S535-M539 WeakPolarHBondContact O-CG 3.44Å; S535-M539 PolarHBondContact O-N 3.44Å; T537-M539 VanDerWaalsContact C-N 3.34Å; T537-M539 PolarHBondContact O-N 3.38Å; M539-R543 WeakPolarHBondContact O-CB 3.43Å; M539-R543 PolarHBondContact O-N 2.98Å
540K83.8Confident82.3Confident131 Ų13199 Ų9957%0.5748%0.484SS*.Hα-helixtrans-78.1-43.2171.4-76.4165.8-177178.50111.1N536 T537 C538 R543 R544N536-K540 WeakPolarHBondContact O-CB 3.45Å; N536-K540 WeakPolarHBondContact O-CD 3.42Å; N536-K540 WeakPolarHBondContact O-CG 3.29Å; N536-K540 PolarHBondContact O-N 3.23Å; T537-K540 WeakPolarHBondContact O-CB 3.36Å; T537-K540 PolarHBondContact O-N 2.76Å; C538-K540 VanDerWaalsContact C-N 3.29Å; C538-K540 PolarHBondContact O-N 3.01Å; K540-R543 WeakPolarHBondContact O-CB 3.44Å; K540-R543 PolarHBondContact O-N 2.77Å; K540-R544 WeakPolarHBondContact O-CB 3.38Å; K540-R544 PolarHBondContact O-N 3.31Å
541E80.8Confident81.7Confident77 Ų77101.2 Ų101.236%0.3650%0.499SS..Hα-helixtrans-68.2-45.1176.4-63.6-57.215600111.7T537 C538 R543 R544 L545T537-E541 WeakPolarHBondContact O-CG 3.49Å; T537-E541 PolarHBondContact O-N 3.03Å; C538-E541 PolarHBondContact O-N 2.96Å; E541-R543 VanDerWaalsContact C-N 3.25Å; E541-R543 PolarHBondContact O-N 3.41Å; E541-R544 WeakPolarHBondContact O-CB 3.43Å; E541-R544 PolarHBondContact O-N 3.18Å; E541-R544 VanDerWaalsContact O-N 3.09Å; E541-R544 IonicContact OE1-NH1 2.66Å; E541-R544 WeakPolarHBondContact OE2-CD 3.39Å; E541-R544 IonicContact OE2-CZ 2.72Å; E541-R544 IonicContact OE2-NE 3.88Å; E541-R544 IonicContact OE2-NH1 3.64Å; E541-R544 PolarHBondContact OE2-NH1 3.21Å; E541-L545 WeakPolarHBondContact O-CB 3.5Å; E541-L545 WeakPolarHBondContact O-CD1 3.45Å; E541-L545 WeakPolarHBondContact O-CG 3.29Å; E541-L545 PolarHBondContact O-N 2.8Å
542L81.2Confident81.1Confident69 Ų69100.3 Ų100.336%0.36150%0.499SS..Hα-helixtrans-56.1-40171-96.759.2000111.5C538 F546 F557C538-L542 WeakPolarHBondContact O-CB 3.47Å; C538-L542 WeakPolarHBondContact O-CD1 3.1Å; C538-L542 PolarHBondContact O-N 2.87Å; L542-F546 WeakPolarHBondContact O-CB 3.04Å; L542-F546 PolarHBondContact O-N 3.37Å; L542-F557 HydrophobicContact CD1-CE2 4.36Å; L542-F557 HydrophobicContact CG-CZ 4.19Å
543R81.2Confident80.5Confident152 Ų15298 Ų9857%0.57449%0.487SS*.Hα-helixtrans-65.7-43.1174.8-175.3-170.9-48-1752.5112.1M539 K540 E541 F546 L547M539-R543 WeakPolarHBondContact O-CB 3.43Å; M539-R543 PolarHBondContact O-N 2.98Å; K540-R543 WeakPolarHBondContact O-CB 3.44Å; K540-R543 PolarHBondContact O-N 2.77Å; E541-R543 VanDerWaalsContact C-N 3.25Å; E541-R543 PolarHBondContact O-N 3.41Å; R543-F546 PolarHBondContact O-N 3.39Å; R543-L547 HydrophobicContact CG-CD1 3.98Å; R543-L547 WeakPolarHBondContact O-CB 3.49Å; R543-L547 WeakPolarHBondContact O-CD1 3.31Å; R543-L547 PolarHBondContact O-N 2.86Å
544R82.1Confident79.8Confident83 Ų8393.1 Ų93.131%0.31346%0.462SS..Hα-helixtrans-62.6-41.8176173.9-177.2159.9-141.3-3.5112K540 E541 V548 Q549 D550K540-R544 WeakPolarHBondContact O-CB 3.38Å; K540-R544 PolarHBondContact O-N 3.31Å; E541-R544 WeakPolarHBondContact O-CB 3.43Å; E541-R544 PolarHBondContact O-N 3.18Å; E541-R544 VanDerWaalsContact O-N 3.09Å; E541-R544 IonicContact OE1-NH1 2.66Å; E541-R544 WeakPolarHBondContact OE2-CD 3.39Å; E541-R544 IonicContact OE2-CZ 2.72Å; E541-R544 IonicContact OE2-NE 3.88Å; E541-R544 IonicContact OE2-NH1 3.64Å; E541-R544 PolarHBondContact OE2-NH1 3.21Å; R544-V548 PolarHBondContact O-N 3.03Å; R544-Q549 HydrophobicContact CG-CB 4.01Å; R544-Q549 PolarHBondContact O-N 2.78Å; R544-Q549 VanDerWaalsContact O-N 3.11Å; R544-D550 IonicContact CZ-OD2 2.77Å; R544-D550 IonicContact NE-OD2 3.94Å; R544-D550 PolarHBondContact NE-OD2 2.86Å; R544-D550 IonicContact NH2-OD2 3.68Å; R544-D550 PolarHBondContact NH2-OD2 3.19Å
545L81.7Confident79.3Confident33 Ų3390.7 Ų90.717%0.17346%0.46CS..Hα-helixtrans-70.4-33.1175.9-66.8165.1000112.5E541 D553 S554 F557E541-L545 WeakPolarHBondContact O-CB 3.5Å; E541-L545 WeakPolarHBondContact O-CD1 3.45Å; E541-L545 WeakPolarHBondContact O-CG 3.29Å; E541-L545 PolarHBondContact O-N 2.8Å; L545-D553 HydrophobicContact CD2-CB 3.87Å; L545-D553 WeakPolarHBondContact CD2-O 3.28Å; L545-S554 VanDerWaalsContact O-CB 3.22Å; L545-S554 WeakPolarHBondContact O-CB 3.19Å; L545-S554 PolarHBondContact O-OG 3.35Å; L545-S554 VanDerWaalsContact O-OG 3.14Å; L545-F557 HydrophobicContact CB-CB 4.39Å; L545-F557 HydrophobicContact CB-CD1 4.12Å; L545-F557 HydrophobicContact CB-CG 4.2Å; L545-F557 HydrophobicContact CD1-CB 4.25Å; L545-F557 HydrophobicContact CD1-CD2 3.88Å; L545-F557 HydrophobicContact CD1-CE2 4.38Å; L545-F557 HydrophobicContact CD1-CG 4.02Å; L545-F557 HydrophobicContact CD2-CB 4.09Å; L545-F557 HydrophobicContact CG-CB 4.48Å
546F70.6Confident78.9Confident167 Ų16793.5 Ų93.573%0.73246%0.464SS*.Hα-helixtrans-83.9-33.5178.9-168-91.5000113.3L542 R543 V548L542-F546 WeakPolarHBondContact O-CB 3.04Å; L542-F546 PolarHBondContact O-N 3.37Å; R543-F546 PolarHBondContact O-N 3.39Å; F546-V548 PolarHBondContact O-N 2.66Å
547L73.5Confident78.3Confident126 Ų12692 Ų9266%0.6645%0.454SS*.THydrogen-bonded Turntrans-75.22.6170.1-91.870.5000113R543 Q549R543-L547 HydrophobicContact CG-CD1 3.98Å; R543-L547 WeakPolarHBondContact O-CB 3.49Å; R543-L547 WeakPolarHBondContact O-CD1 3.31Å; R543-L547 PolarHBondContact O-N 2.86Å; L547-Q549 PolarHBondContact O-N 3.05Å
548V69.8Low77.9Confident71 Ų7191.8 Ų91.843%0.4346%0.458SS..THydrogen-bonded Turntrans55.734.2177.4-160.40000112.4R544 F546 D550 L551 S554R544-V548 PolarHBondContact O-N 3.03Å; F546-V548 PolarHBondContact O-N 2.66Å; V548-D550 PolarHBondContact O-N 3.48Å; V548-L551 HydrophobicContact CG1-CD2 3.55Å; V548-L551 HydrophobicContact CG1-CG 4.06Å; V548-S554 WeakPolarHBondContact CA-OG 3.41Å
549Q70.9Confident77.7Confident144 Ų14492.1 Ų92.167%0.67346%0.457SS*.SBendtrans-64.2-32.1-178.6-173.91714.300111.5R544 L547R544-Q549 HydrophobicContact CG-CB 4.01Å; R544-Q549 PolarHBondContact O-N 2.78Å; R544-Q549 VanDerWaalsContact O-N 3.11Å; L547-Q549 PolarHBondContact O-N 3.05Å
550D74.1Confident77.5Confident60 Ų6091.8 Ų91.832%0.32146%0.458SS..SBendtrans-119.194.4168.4-69.4-71.9000109.2R544 V548 V552 D553 S554R544-D550 IonicContact CZ-OD2 2.77Å; R544-D550 IonicContact NE-OD2 3.94Å; R544-D550 PolarHBondContact NE-OD2 2.86Å; R544-D550 IonicContact NH2-OD2 3.68Å; R544-D550 PolarHBondContact NH2-OD2 3.19Å; V548-D550 PolarHBondContact O-N 3.48Å; D550-V552 PolarHBondContact O-N 3.1Å; D550-D553 HydrophobicContact CB-CB 4.16Å; D550-D553 PolarHBondContact O-N 3Å; D550-D553 VanDerWaalsContact O-N 3.1Å; D550-S554 VanDerWaalsContact O-CB 3.28Å; D550-S554 WeakPolarHBondContact O-CB 3.17Å; D550-S554 PolarHBondContact O-N 2.97Å; D550-S554 PolarHBondContact O-OG 3.09Å
551L75.4Confident77.2Confident135 Ų13589.1 Ų89.171%0.70745%0.448SS*.Hα-helixtrans-44.6-42.7-179.6-80.6158000113.4V548 L555V548-L551 HydrophobicContact CG1-CD2 3.55Å; V548-L551 HydrophobicContact CG1-CG 4.06Å; L551-L555 VanDerWaalsContact O-CB 3.26Å; L551-L555 WeakPolarHBondContact O-CB 3.49Å; L551-L555 PolarHBondContact O-N 2.91Å
552V75.7Confident77.3Confident98 Ų9893.7 Ų93.759%0.59446%0.462SS*.Hα-helixtrans-70.3-44-176.8174.40000112.3D550 K556D550-V552 PolarHBondContact O-N 3.1Å; V552-K556 WeakPolarHBondContact O-CG 3.19Å; V552-K556 PolarHBondContact O-N 2.77Å; V552-K556 VanDerWaalsContact O-N 3.1Å
553D74.3Confident77Confident57 Ų5794.6 Ų94.631%0.30547%0.467SS..Hα-helixtrans-78.5-31.5-179.2-68.9-26000111.8L545 D550 K556 F557L545-D553 HydrophobicContact CD2-CB 3.87Å; L545-D553 WeakPolarHBondContact CD2-O 3.28Å; D550-D553 HydrophobicContact CB-CB 4.16Å; D550-D553 PolarHBondContact O-N 3Å; D550-D553 VanDerWaalsContact O-N 3.1Å; D553-K556 WeakPolarHBondContact O-CB 3.45Å; D553-K556 PolarHBondContact O-N 2.82Å; D553-K556 WeakPolarHBondContact OD1-CE 3.45Å; D553-K556 IonicContact OD1-NZ 3.87Å; D553-K556 PolarHBondContact OD1-NZ 2.79Å; D553-F557 WeakPolarHBondContact O-CB 3.46Å; D553-F557 PolarHBondContact O-N 3.48Å
554S76.4Confident76.6Confident9 Ų991.5 Ų91.56%0.06346%0.461CS..Hα-helixtrans-65.4-39.2172.2-48.90000111.2L545 V548 D550 F557 A558L545-S554 VanDerWaalsContact O-CB 3.22Å; L545-S554 WeakPolarHBondContact O-CB 3.19Å; L545-S554 PolarHBondContact O-OG 3.35Å; L545-S554 VanDerWaalsContact O-OG 3.14Å; V548-S554 WeakPolarHBondContact CA-OG 3.41Å; D550-S554 VanDerWaalsContact O-CB 3.28Å; D550-S554 WeakPolarHBondContact O-CB 3.17Å; D550-S554 PolarHBondContact O-N 2.97Å; D550-S554 PolarHBondContact O-OG 3.09Å; S554-F557 PolarHBondContact O-N 2.88Å; S554-A558 WeakPolarHBondContact O-CB 3.48Å; S554-A558 PolarHBondContact O-N 3.43Å
555L80.7Confident76.3Confident115 Ų11592.2 Ų92.260%0.60248%0.475SS*.Hα-helixtrans-67-41.3172.2-178.362000112.1L551 F557 A558 V559L551-L555 VanDerWaalsContact O-CB 3.26Å; L551-L555 WeakPolarHBondContact O-CB 3.49Å; L551-L555 PolarHBondContact O-N 2.91Å; L555-F557 VanDerWaalsContact C-N 3.3Å; L555-F557 PolarHBondContact O-N 3.07Å; L555-A558 PolarHBondContact O-N 2.68Å; L555-V559 HydrophobicContact CD1-CG2 4.48Å; L555-V559 WeakPolarHBondContact O-CG2 3Å; L555-V559 PolarHBondContact O-N 2.86Å
556K79.5Confident76Confident123 Ų12397.5 Ų97.554%0.53549%0.493SS..Hα-helixtrans-58.8-43.8171.8-68.9168.2-163161.20111.2V552 D553 V559 L560V552-K556 WeakPolarHBondContact O-CG 3.19Å; V552-K556 PolarHBondContact O-N 2.77Å; V552-K556 VanDerWaalsContact O-N 3.1Å; D553-K556 WeakPolarHBondContact O-CB 3.45Å; D553-K556 PolarHBondContact O-N 2.82Å; D553-K556 WeakPolarHBondContact OD1-CE 3.45Å; D553-K556 IonicContact OD1-NZ 3.87Å; D553-K556 PolarHBondContact OD1-NZ 2.79Å; K556-V559 PolarHBondContact O-N 2.82Å; K556-L560 VanDerWaalsContact O-CB 3.27Å; K556-L560 WeakPolarHBondContact O-CB 3.45Å; K556-L560 PolarHBondContact O-N 3.27Å
557F76.9Confident76.1Confident49 Ų4992 Ų9222%0.21547%0.473CS..Hα-helixtrans-66-40.3177.8179.7-102.7000112.1L542 L545 D553 S554 L555 L560 M561L542-F557 HydrophobicContact CD1-CE2 4.36Å; L542-F557 HydrophobicContact CG-CZ 4.19Å; L545-F557 HydrophobicContact CB-CB 4.39Å; L545-F557 HydrophobicContact CB-CD1 4.12Å; L545-F557 HydrophobicContact CB-CG 4.2Å; L545-F557 HydrophobicContact CD1-CB 4.25Å; L545-F557 HydrophobicContact CD1-CD2 3.88Å; L545-F557 HydrophobicContact CD1-CE2 4.38Å; L545-F557 HydrophobicContact CD1-CG 4.02Å; L545-F557 HydrophobicContact CD2-CB 4.09Å; L545-F557 HydrophobicContact CG-CB 4.48Å; D553-F557 WeakPolarHBondContact O-CB 3.46Å; D553-F557 PolarHBondContact O-N 3.48Å; S554-F557 PolarHBondContact O-N 2.88Å; L555-F557 VanDerWaalsContact C-N 3.3Å; L555-F557 PolarHBondContact O-N 3.07Å; F557-L560 PolarHBondContact O-N 2.77Å; F557-M561 HydrophobicContact CD1-CG 4.34Å; F557-M561 HydrophobicContact CD2-CG 4.42Å; F557-M561 HydrophobicContact CE1-CG 3.95Å; F557-M561 HydrophobicContact CE2-CE 3.6Å; F557-M561 HydrophobicContact CE2-CG 4.05Å; F557-M561 HydrophobicContact CZ-CE 3.67Å; F557-M561 HydrophobicContact CZ-CG 3.8Å; F557-M561 HydrophobicContact CZ-SD 4.43Å; F557-M561 WeakPolarHBondContact O-CB 3.38Å; F557-M561 WeakPolarHBondContact O-CG 3.41Å; F557-M561 PolarHBondContact O-N 3.47Å
558A77.6Confident76Confident54 Ų5487.9 Ų87.945%0.44646%0.461SS..Hα-helixtrans-63.1-43.1174.100000112.2S554 L555 M561 W562S554-A558 WeakPolarHBondContact O-CB 3.48Å; S554-A558 PolarHBondContact O-N 3.43Å; L555-A558 PolarHBondContact O-N 2.68Å; A558-M561 PolarHBondContact O-N 3.08Å; A558-W562 VanDerWaalsContact O-CB 3.28Å; A558-W562 WeakPolarHBondContact O-CB 3.35Å; A558-W562 PolarHBondContact O-N 3.14Å
559V80.8Confident76.2Confident73 Ų7388.5 Ų88.544%0.44247%0.474SS..Hα-helixtrans-66.7-40.5174.6172.70000111.5L555 K556 W562 L563L555-V559 HydrophobicContact CD1-CG2 4.48Å; L555-V559 WeakPolarHBondContact O-CG2 3Å; L555-V559 PolarHBondContact O-N 2.86Å; K556-V559 PolarHBondContact O-N 2.82Å; V559-W562 PolarHBondContact O-N 3.43Å; V559-L563 HydrophobicContact CG1-CD1 4.23Å; V559-L563 WeakPolarHBondContact O-CB 3.42Å; V559-L563 WeakPolarHBondContact O-CG 3.47Å; V559-L563 PolarHBondContact O-N 3.15Å
560L79.9Confident75.9Confident102 Ų10286.5 Ų86.553%0.53447%0.468SS..Hα-helixtrans-63.9-43.4176-169.8159.4000111K556 F557 L563 L564K556-L560 VanDerWaalsContact O-CB 3.27Å; K556-L560 WeakPolarHBondContact O-CB 3.45Å; K556-L560 PolarHBondContact O-N 3.27Å; F557-L560 PolarHBondContact O-N 2.77Å; L560-L563 PolarHBondContact O-N 3.48Å; L560-L564 VanDerWaalsContact O-CB 3.28Å; L560-L564 WeakPolarHBondContact O-CB 3.24Å; L560-L564 PolarHBondContact O-N 2.8Å
561M79.1Confident75.6Confident74 Ų7487.5 Ų87.537%0.36547%0.469SS..Hα-helixtrans-68.1-36.5175-78-68.316100112.4F557 A558 L564 T565F557-M561 HydrophobicContact CD1-CG 4.34Å; F557-M561 HydrophobicContact CD2-CG 4.42Å; F557-M561 HydrophobicContact CE1-CG 3.95Å; F557-M561 HydrophobicContact CE2-CE 3.6Å; F557-M561 HydrophobicContact CE2-CG 4.05Å; F557-M561 HydrophobicContact CZ-CE 3.67Å; F557-M561 HydrophobicContact CZ-CG 3.8Å; F557-M561 HydrophobicContact CZ-SD 4.43Å; F557-M561 WeakPolarHBondContact O-CB 3.38Å; F557-M561 WeakPolarHBondContact O-CG 3.41Å; F557-M561 PolarHBondContact O-N 3.47Å; A558-M561 PolarHBondContact O-N 3.08Å; M561-L564 HydrophobicContact CE-CD2 4.12Å; M561-L564 PolarHBondContact O-N 2.93Å; M561-L564 HydrophobicContact SD-CD2 3.96Å; M561-T565 WeakPolarHBondContact O-CB 3.19Å; M561-T565 PolarHBondContact O-N 3.43Å; M561-T565 PolarHBondContact O-OG1 2.8Å
562W82.1Confident75.7Confident174 Ų17486.1 Ų86.166%0.65946%0.463SS*.Hα-helixtrans-63.5-44.9173.2178.380.1000111.7A558 V559 L564 T565 Y566A558-W562 VanDerWaalsContact O-CB 3.28Å; A558-W562 WeakPolarHBondContact O-CB 3.35Å; A558-W562 PolarHBondContact O-N 3.14Å; V559-W562 PolarHBondContact O-N 3.43Å; W562-L564 VanDerWaalsContact C-N 3.34Å; W562-L564 PolarHBondContact O-N 2.79Å; W562-T565 PolarHBondContact O-N 3.17Å; W562-Y566 WeakPolarHBondContact O-CB 3.45Å; W562-Y566 PolarHBondContact O-N 3.35Å
563L75.6Confident75.8Confident87 Ų8784 Ų8446%0.45546%0.461SS..Hα-helixtrans-62.6-39.3171.8-71.1171.9000111.9V559 L560 Y566 V567V559-L563 HydrophobicContact CG1-CD1 4.23Å; V559-L563 WeakPolarHBondContact O-CB 3.42Å; V559-L563 WeakPolarHBondContact O-CG 3.47Å; V559-L563 PolarHBondContact O-N 3.15Å; L560-L563 PolarHBondContact O-N 3.48Å; L563-Y566 PolarHBondContact O-N 3.28Å; L563-V567 VanDerWaalsContact O-CB 3.31Å; L563-V567 WeakPolarHBondContact O-CB 3.18Å; L563-V567 VanDerWaalsContact O-CG2 3.24Å; L563-V567 WeakPolarHBondContact O-CG2 3.02Å; L563-V567 PolarHBondContact O-N 2.96Å
564L71Confident76Confident87 Ų8782.1 Ų82.146%0.45545%0.45SS..Hα-helixtrans-69.2-35.1178.1-172.462.2000112.3L560 M561 W562 G568L560-L564 VanDerWaalsContact O-CB 3.28Å; L560-L564 WeakPolarHBondContact O-CB 3.24Å; L560-L564 PolarHBondContact O-N 2.8Å; M561-L564 HydrophobicContact CE-CD2 4.12Å; M561-L564 PolarHBondContact O-N 2.93Å; M561-L564 HydrophobicContact SD-CD2 3.96Å; W562-L564 VanDerWaalsContact C-N 3.34Å; W562-L564 PolarHBondContact O-N 2.79Å; L564-G568 PolarHBondContact O-N 3.43Å
565T76.3Confident76.3Confident99 Ų9983.8 Ų83.861%0.60746%0.46SS*.Hα-helixtrans-68.5-42.1172-64.70000111.2M561 W562 G568 A569M561-T565 WeakPolarHBondContact O-CB 3.19Å; M561-T565 PolarHBondContact O-N 3.43Å; M561-T565 PolarHBondContact O-OG1 2.8Å; W562-T565 PolarHBondContact O-N 3.17Å; T565-G568 PolarHBondContact O-N 2.85Å; T565-A569 WeakPolarHBondContact O-CB 3.22Å; T565-A569 PolarHBondContact O-N 3.44Å
566Y74.9Confident76.4Confident143 Ų14380.7 Ų80.756%0.56144%0.444SS*.Hα-helixtrans-61.6-45173.7-177.1-108.2000111.5W562 L563 A569 L570W562-Y566 WeakPolarHBondContact O-CB 3.45Å; W562-Y566 PolarHBondContact O-N 3.35Å; L563-Y566 PolarHBondContact O-N 3.28Å; Y566-A569 PolarHBondContact O-N 2.95Å; Y566-L570 HydrophobicContact CD1-CD1 3.92Å; Y566-L570 HydrophobicContact CE1-CD1 3.48Å; Y566-L570 VanDerWaalsContact CE1-CD1 3.48Å; Y566-L570 HydrophobicContact CE2-CD1 4.27Å; Y566-L570 HydrophobicContact CG-CD1 4.48Å; Y566-L570 WeakPolarHBondContact O-CG 3.4Å; Y566-L570 PolarHBondContact O-N 3.35Å; Y566-L570 VanDerWaalsContact O-N 3.09Å
567V72.9Confident76.6Confident51 Ų5179.2 Ų79.231%0.30944%0.442SS..Hα-helixtrans-62.8-42.9173.4164.90000111.4L563 A569 L570 F571 L576L563-V567 VanDerWaalsContact O-CB 3.31Å; L563-V567 WeakPolarHBondContact O-CB 3.18Å; L563-V567 VanDerWaalsContact O-CG2 3.24Å; L563-V567 WeakPolarHBondContact O-CG2 3.02Å; L563-V567 PolarHBondContact O-N 2.96Å; V567-A569 PolarHBondContact O-N 2.95Å; V567-L570 PolarHBondContact O-N 3.36Å; V567-F571 HydrophobicContact CG1-CD2 4.12Å; V567-F571 WeakPolarHBondContact O-CB 3.09Å; V567-F571 VanDerWaalsContact O-CD2 3.3Å; V567-F571 WeakPolarHBondContact O-CD2 3.13Å; V567-F571 PolarHBondContact O-N 3.34Å; V567-L576 HydrophobicContact CG1-CD1 4.25Å; V567-L576 HydrophobicContact CG1-CD2 3.45Å; V567-L576 VanDerWaalsContact CG1-CD2 3.45Å
568G71.4Confident77Confident40 Ų4078.1 Ų78.141%0.41244%0.438SS..Hα-helixtrans-67.5-30.7176.600000114.3L564 T565L564-G568 PolarHBondContact O-N 3.43Å; T565-G568 PolarHBondContact O-N 2.85Å
569A75.3Confident77.4Confident85 Ų8579.3 Ų79.370%0.70244%0.436SS*.Hα-helixtrans-74.2-29.6173.800000112.7T565 Y566 V567T565-A569 WeakPolarHBondContact O-CB 3.22Å; T565-A569 PolarHBondContact O-N 3.44Å; Y566-A569 PolarHBondContact O-N 2.95Å; V567-A569 PolarHBondContact O-N 2.95Å
570L63.9Low77.6Confident101 Ų10178.5 Ų78.553%0.52944%0.438SS..Hα-helixtrans-84.8-24.1176.4-70.7175.5000113.8Y566 V567Y566-L570 HydrophobicContact CD1-CD1 3.92Å; Y566-L570 HydrophobicContact CE1-CD1 3.48Å; Y566-L570 VanDerWaalsContact CE1-CD1 3.48Å; Y566-L570 HydrophobicContact CE2-CD1 4.27Å; Y566-L570 HydrophobicContact CG-CD1 4.48Å; Y566-L570 WeakPolarHBondContact O-CG 3.4Å; Y566-L570 PolarHBondContact O-N 3.35Å; Y566-L570 VanDerWaalsContact O-N 3.09Å; V567-L570 PolarHBondContact O-N 3.36Å
571F68.6Low77.8Confident82 Ų8275 Ų7536%0.3642%0.42SS..SBendtrans-132.6119-168.7-66.5-70.1000112.6V567 G573 T575 L576 L579V567-F571 HydrophobicContact CG1-CD2 4.12Å; V567-F571 WeakPolarHBondContact O-CB 3.09Å; V567-F571 VanDerWaalsContact O-CD2 3.3Å; V567-F571 WeakPolarHBondContact O-CD2 3.13Å; V567-F571 PolarHBondContact O-N 3.34Å; F571-G573 PolarHBondContact O-N 2.67Å; F571-T575 WeakPolarHBondContact CB-OG1 3.02Å; F571-L576 HydrophobicContact CB-CD1 4.48Å; F571-L576 HydrophobicContact CB-CD2 3.46Å; F571-L576 VanDerWaalsContact CB-CD2 3.46Å; F571-L576 HydrophobicContact CB-CG 3.73Å; F571-L576 HydrophobicContact CD2-CD2 4.01Å; F571-L576 HydrophobicContact CG-CD2 3.91Å; F571-L579 HydrophobicContact CD1-CD1 4.4Å; F571-L579 HydrophobicContact CE1-CD1 4.3Å; F571-L579 HydrophobicContact CZ-CD1 4.38Å
572N76.9Confident78.2Confident105 Ų10573.4 Ų73.456%0.56142%0.415SS*.  trans-45.1135.8161.3173.6-16.5000109.5L574 T575 L576N572-L574 PolarHBondContact O-N 3.04Å; N572-L574 PolarHBondContact OD1-N 3.23Å; N572-T575 HydrophobicContact CB-CG2 4.42Å; N572-T575 PolarHBondContact N-OG1 2.86Å; N572-T575 WeakPolarHBondContact O-CA 3.27Å; N572-T575 PolarHBondContact O-N 2.78Å; N572-T575 PolarHBondContact O-OG1 3.17Å; N572-L576 PolarHBondContact O-N 3.16Å; N572-L576 VanDerWaalsContact O-N 3.09Å
573G78.3Confident78.3Confident54 Ų5467.3 Ų67.356%0.55740%0.398SS*.Hα-helixtrans-52.7-26.3-179.300000114.3F571 L576 L577F571-G573 PolarHBondContact O-N 2.67Å; G573-L576 PolarHBondContact O-N 2.8Å; G573-L577 PolarHBondContact O-N 3.04Å
574L78.5Confident78.7Confident17 Ų1769 Ų699%0.08941%0.405CS..Hα-helixtrans-71.2-39.1171.5-144.8-175.4000112.9L464 L467 T468 V472 N572 L576 L577 I578L464-L574 HydrophobicContact CB-CD2 4.27Å; L464-L574 HydrophobicContact CG-CD2 4.38Å; L464-L574 WeakPolarHBondContact O-CD2 3.12Å; L467-L574 HydrophobicContact CB-CD1 3.83Å; L467-L574 WeakPolarHBondContact O-CD1 3.28Å; T468-L574 HydrophobicContact CG2-CD1 3.91Å; T468-L574 HydrophobicContact CG2-CD2 4.03Å; T468-L574 HydrophobicContact CG2-CG 4.39Å; V472-L574 HydrophobicContact CG2-CD1 3.39Å; V472-L574 HydrophobicContact CG2-CG 4.26Å; N572-L574 PolarHBondContact O-N 3.04Å; N572-L574 PolarHBondContact OD1-N 3.23Å; L574-L576 VanDerWaalsContact C-N 3.28Å; L574-L576 PolarHBondContact O-N 3.31Å; L574-L577 WeakPolarHBondContact O-CB 3.22Å; L574-L577 PolarHBondContact O-N 3.34Å; L574-L577 VanDerWaalsContact O-N 3.16Å; L574-I578 HydrophobicContact CD2-CD1 3.98Å; L574-I578 HydrophobicContact CD2-CG1 4.08Å; L574-I578 WeakPolarHBondContact O-CG1 3.2Å; L574-I578 PolarHBondContact O-N 2.96Å
575T82.1Confident79.2Confident44 Ų4466.3 Ų66.327%0.2739%0.39SS..Hα-helixtrans-67-30.3172.755.50000112T468 F571 N572 I578 L579T468-T575 HydrophobicContact CG2-CG2 4.47Å; F571-T575 WeakPolarHBondContact CB-OG1 3.02Å; N572-T575 HydrophobicContact CB-CG2 4.42Å; N572-T575 PolarHBondContact N-OG1 2.86Å; N572-T575 WeakPolarHBondContact O-CA 3.27Å; N572-T575 PolarHBondContact O-N 2.78Å; N572-T575 PolarHBondContact O-OG1 3.17Å; T575-I578 PolarHBondContact O-N 3.24Å; T575-L579 WeakPolarHBondContact O-CB 3.35Å; T575-L579 WeakPolarHBondContact O-CG 3.31Å; T575-L579 PolarHBondContact O-N 3.48Å
576L83.1Confident79.4Confident50 Ų5063.9 Ų63.926%0.26238%0.375SS..Hα-helixtrans-68.7-39167.9-62.7-176.2000112.5V567 F571 N572 G573 L574 I578 L579 A580V567-L576 HydrophobicContact CG1-CD1 4.25Å; V567-L576 HydrophobicContact CG1-CD2 3.45Å; V567-L576 VanDerWaalsContact CG1-CD2 3.45Å; F571-L576 HydrophobicContact CB-CD1 4.48Å; F571-L576 HydrophobicContact CB-CD2 3.46Å; F571-L576 VanDerWaalsContact CB-CD2 3.46Å; F571-L576 HydrophobicContact CB-CG 3.73Å; F571-L576 HydrophobicContact CD2-CD2 4.01Å; F571-L576 HydrophobicContact CG-CD2 3.91Å; N572-L576 PolarHBondContact O-N 3.16Å; N572-L576 VanDerWaalsContact O-N 3.09Å; G573-L576 PolarHBondContact O-N 2.8Å; L574-L576 VanDerWaalsContact C-N 3.28Å; L574-L576 PolarHBondContact O-N 3.31Å; L576-I578 VanDerWaalsContact C-N 3.34Å; L576-L579 HydrophobicContact CD2-CD1 4.33Å; L576-L579 PolarHBondContact O-N 3.29Å; L576-A580 WeakPolarHBondContact O-CB 3.48Å; L576-A580 PolarHBondContact O-N 2.93Å
577L83.8Confident79.7Confident92 Ų9262.4 Ų62.448%0.48238%0.376SS..Hα-helixtrans-62.9-40172.8-176.966.4000111.8L464 G573 L574 A580 V581L464-L577 HydrophobicContact CD2-CD2 4.14Å; L464-L577 HydrophobicContact CD2-CG 3.94Å; L464-L577 HydrophobicContact CG-CD2 4.37Å; G573-L577 PolarHBondContact O-N 3.04Å; L574-L577 WeakPolarHBondContact O-CB 3.22Å; L574-L577 PolarHBondContact O-N 3.34Å; L574-L577 VanDerWaalsContact O-N 3.16Å; L577-A580 PolarHBondContact O-N 3.1Å; L577-V581 WeakPolarHBondContact O-CG2 3.32Å; L577-V581 PolarHBondContact O-N 3.38Å
578I85.6Confident80Confident27 Ų2761.2 Ų61.214%0.13837%0.37CS..Hα-helixtrans-61.1-51.4171.8-74.3167.6000110.3L461 L464 T468 L574 T575 L576 A580 V581 V582L461-I578 HydrophobicContact CD1-CG2 3.92Å; L464-I578 HydrophobicContact CB-CD1 4.31Å; L464-I578 HydrophobicContact CB-CG1 3.78Å; L464-I578 HydrophobicContact CD2-CG1 4.21Å; L464-I578 HydrophobicContact CG-CG1 4.5Å; T468-I578 HydrophobicContact CG2-CD1 3.51Å; L574-I578 HydrophobicContact CD2-CD1 3.98Å; L574-I578 HydrophobicContact CD2-CG1 4.08Å; L574-I578 WeakPolarHBondContact O-CG1 3.2Å; L574-I578 PolarHBondContact O-N 2.96Å; T575-I578 PolarHBondContact O-N 3.24Å; L576-I578 VanDerWaalsContact C-N 3.34Å; I578-A580 VanDerWaalsContact C-N 3.26Å; I578-A580 PolarHBondContact O-N 3.49Å; I578-V581 PolarHBondContact O-N 2.78Å; I578-V582 HydrophobicContact CG2-CG2 4.23Å; I578-V582 WeakPolarHBondContact O-CB 3.39Å; I578-V582 VanDerWaalsContact O-CG2 3.27Å; I578-V582 WeakPolarHBondContact O-CG2 3.2Å; I578-V582 PolarHBondContact O-N 3.37Å
579L84.9Confident80.3Confident78 Ų7860.7 Ų60.741%0.40836%0.358SS..Hα-helixtrans-60-35.7177.8-75.8171000112.3F571 T575 L576 S583F571-L579 HydrophobicContact CD1-CD1 4.4Å; F571-L579 HydrophobicContact CE1-CD1 4.3Å; F571-L579 HydrophobicContact CZ-CD1 4.38Å; T575-L579 WeakPolarHBondContact O-CB 3.35Å; T575-L579 WeakPolarHBondContact O-CG 3.31Å; T575-L579 PolarHBondContact O-N 3.48Å; L576-L579 HydrophobicContact CD2-CD1 4.33Å; L576-L579 PolarHBondContact O-N 3.29Å; L579-S583 WeakPolarHBondContact O-CB 3.39Å; L579-S583 PolarHBondContact O-N 2.99Å; L579-S583 PolarHBondContact O-OG 3.24Å
580A85.1Confident80.5Confident57 Ų5760 Ų6047%0.47135%0.346SS..Hα-helixtrans-65.9-47.4174.300000112L576 L577 I578 S583 M584L576-A580 WeakPolarHBondContact O-CB 3.48Å; L576-A580 PolarHBondContact O-N 2.93Å; L577-A580 PolarHBondContact O-N 3.1Å; I578-A580 VanDerWaalsContact C-N 3.26Å; I578-A580 PolarHBondContact O-N 3.49Å; A580-S583 PolarHBondContact O-N 3.05Å; A580-M584 WeakPolarHBondContact O-CB 3.17Å; A580-M584 PolarHBondContact O-N 2.97Å
581V84.9Confident81.3Confident28 Ų2860.9 Ų60.917%0.1734%0.343CS..Hα-helixtrans-65.4-42.4177.41710000111.6F457 V460 L464 L577 I578 M584 F585F457-V581 HydrophobicContact CE2-CG1 4.38Å; V460-V581 HydrophobicContact CG1-CG1 4.15Å; L464-V581 HydrophobicContact CD2-CB 4.38Å; L464-V581 HydrophobicContact CD2-CG2 3.89Å; L577-V581 WeakPolarHBondContact O-CG2 3.32Å; L577-V581 PolarHBondContact O-N 3.38Å; I578-V581 PolarHBondContact O-N 2.78Å; V581-M584 PolarHBondContact O-N 3.14Å; V581-F585 HydrophobicContact CG1-CD2 4.49Å; V581-F585 PolarHBondContact O-N 3.45Å
582V87.3Confident81.8Confident41 Ų4161.9 Ų61.925%0.24835%0.348CS..Hα-helixtrans-56.1-56172171.10000109.4F457 L461 I578 M584 F585 T586F457-V582 HydrophobicContact CZ-CG2 4.15Å; L461-V582 HydrophobicContact CD1-CG2 3.61Å; I578-V582 HydrophobicContact CG2-CG2 4.23Å; I578-V582 WeakPolarHBondContact O-CB 3.39Å; I578-V582 VanDerWaalsContact O-CG2 3.27Å; I578-V582 WeakPolarHBondContact O-CG2 3.2Å; I578-V582 PolarHBondContact O-N 3.37Å; V582-M584 VanDerWaalsContact C-N 3.29Å; V582-M584 PolarHBondContact O-N 3.26Å; V582-F585 PolarHBondContact O-N 2.86Å; V582-F585 VanDerWaalsContact O-N 3.12Å; V582-T586 HydrophobicContact CG1-CG2 3.97Å; V582-T586 WeakPolarHBondContact O-CB 3.43Å; V582-T586 WeakPolarHBondContact O-CG2 3.24Å; V582-T586 PolarHBondContact O-N 3.42Å; V582-T586 PolarHBondContact O-OG1 2.8Å
583S84.2Confident81.8Confident45 Ų4564.4 Ų64.432%0.31535%0.354SS..Hα-helixtrans-57.6-39.9-179.1-60.80000112.5L579 A580 F585 L587L579-S583 WeakPolarHBondContact O-CB 3.39Å; L579-S583 PolarHBondContact O-N 2.99Å; L579-S583 PolarHBondContact O-OG 3.24Å; A580-S583 PolarHBondContact O-N 3.05Å; S583-F585 VanDerWaalsContact C-N 3.28Å; S583-F585 PolarHBondContact O-N 3.21Å; S583-L587 WeakPolarHBondContact O-CB 3.43Å; S583-L587 WeakPolarHBondContact O-CG 3.26Å; S583-L587 PolarHBondContact O-N 3.45Å
584M83.8Confident81.9Confident123 Ų12365.9 Ų65.961%0.60635%0.346SS*.Hα-helixtrans-61.9-35.9-179.8-154-173.6-170.500112.3L445 A580 V581 V582 P588L445-M584 HydrophobicContact CD1-CG 4.06Å; L445-M584 VanDerWaalsContact CD1-O 3.3Å; L445-M584 WeakPolarHBondContact CD1-O 3.47Å; L445-M584 WeakPolarHBondContact CG-O 3.49Å; A580-M584 WeakPolarHBondContact O-CB 3.17Å; A580-M584 PolarHBondContact O-N 2.97Å; V581-M584 PolarHBondContact O-N 3.14Å; V582-M584 VanDerWaalsContact C-N 3.29Å; V582-M584 PolarHBondContact O-N 3.26Å; M584-P588 VanDerWaalsContact O-CD 3.23Å; M584-P588 WeakPolarHBondContact O-CD 3.26Å; M584-P588 VanDerWaalsContact O-CG 3.31Å; M584-P588 WeakPolarHBondContact O-CG 2.9Å
585F81.9Confident81.8Confident31 Ų3170 Ų7014%0.13637%0.365CS..Hα-helixtrans-93.2-27.2179.4-83.9-96.5000114.3L444 L445 W447 F457 V581 V582 S583L444-F585 HydrophobicContact CB-CE1 4.35Å; L445-F585 HydrophobicContact CD1-CD1 4.06Å; L445-F585 HydrophobicContact CD1-CD2 3.84Å; L445-F585 HydrophobicContact CD1-CE1 4.1Å; L445-F585 HydrophobicContact CD1-CE2 3.88Å; L445-F585 HydrophobicContact CD1-CG 3.94Å; L445-F585 HydrophobicContact CD1-CZ 4.02Å; W447-F585 AromaticContact NE1-CD1 3.95Å; F457-F585 HydrophobicContact CB-CD1 4.3Å; F457-F585 HydrophobicContact CB-CE1 4.49Å; F457-F585 HydrophobicContact CD2-CB 3.61Å; F457-F585 HydrophobicContact CD2-CD1 4.02Å; F457-F585 AromaticContact CD2-CD2 3.78Å; F457-F585 HydrophobicContact CD2-CD2 3.78Å; F457-F585 HydrophobicContact CD2-CE2 4.44Å; F457-F585 AromaticContact CD2-CG 3.53Å; F457-F585 HydrophobicContact CD2-CG 3.53Å; F457-F585 HydrophobicContact CE2-CB 3.64Å; F457-F585 HydrophobicContact CE2-CD2 4.22Å; F457-F585 HydrophobicContact CE2-CG 4.03Å; F457-F585 HydrophobicContact CG-CB 4.45Å; F457-F585 HydrophobicContact CG-CD1 4.45Å; F457-F585 HydrophobicContact CG-CG 4.37Å; V581-F585 HydrophobicContact CG1-CD2 4.49Å; V581-F585 PolarHBondContact O-N 3.45Å; V582-F585 PolarHBondContact O-N 2.86Å; V582-F585 VanDerWaalsContact O-N 3.12Å; S583-F585 VanDerWaalsContact C-N 3.28Å; S583-F585 PolarHBondContact O-N 3.21Å
586T79.4Confident81.7Confident48 Ų4871.8 Ų71.829%0.29439%0.385SS..Hα-helixtrans-90.9-42.2-178.5610000112.5V582 V589 V590V582-T586 HydrophobicContact CG1-CG2 3.97Å; V582-T586 WeakPolarHBondContact O-CB 3.43Å; V582-T586 WeakPolarHBondContact O-CG2 3.24Å; V582-T586 PolarHBondContact O-N 3.42Å; V582-T586 PolarHBondContact O-OG1 2.8Å; T586-V589 PolarHBondContact O-N 2.91Å; T586-V590 VanDerWaalsContact O-CB 3.25Å; T586-V590 WeakPolarHBondContact O-CB 3.31Å; T586-V590 VanDerWaalsContact O-CG2 3.26Å; T586-V590 WeakPolarHBondContact O-CG2 3.44Å; T586-V590 PolarHBondContact O-N 2.98Å
587L81.5Confident81.4Confident111 Ų11174.6 Ų74.658%0.58140%0.396SS*.Hα-helixtrans-56.4-48.3-177.6-67175.8000114S583 V589 Y591S583-L587 WeakPolarHBondContact O-CB 3.43Å; S583-L587 WeakPolarHBondContact O-CG 3.26Å; S583-L587 PolarHBondContact O-N 3.45Å; L587-V589 PolarHBondContact O-N 2.73Å; L587-Y591 WeakPolarHBondContact O-CB 3.07Å; L587-Y591 PolarHBondContact O-N 3.06Å
588P78.5Confident81.3Confident26 Ų2672.5 Ų72.517%0.16939%0.385CS..Hα-helixtrans-65-39.6-179.823.6-32.3000112.5L445 Y446 M584 E592L445-P588 HydrophobicContact CD2-CG 4.26Å; L445-P588 HydrophobicContact CG-CG 4.11Å; Y446-P588 HydrophobicContact CE1-CB 4.33Å; M584-P588 VanDerWaalsContact O-CD 3.23Å; M584-P588 WeakPolarHBondContact O-CD 3.26Å; M584-P588 VanDerWaalsContact O-CG 3.31Å; M584-P588 WeakPolarHBondContact O-CG 2.9Å; P588-E592 PolarHBondContact O-N 3.3Å
589V78.3Confident81.2Confident29 Ų2975.4 Ų75.418%0.17640%0.401CS..Hα-helixtrans-71.6-45.7-179.6-179.90000111.7L445 W447 T586 L587 Y591 E592 K593L445-V589 WeakPolarHBondContact O-CG2 3.48Å; W447-V589 HydrophobicContact CB-CG2 4.05Å; W447-V589 VanDerWaalsContact CD1-CG2 3.47Å; W447-V589 HydrophobicContact CG-CG2 3.88Å; T586-V589 PolarHBondContact O-N 2.91Å; L587-V589 PolarHBondContact O-N 2.73Å; V589-Y591 VanDerWaalsContact C-N 3.29Å; V589-Y591 PolarHBondContact O-N 2.81Å; V589-E592 PolarHBondContact O-N 3.28Å; V589-K593 HydrophobicContact CG1-CG 4.4Å; V589-K593 WeakPolarHBondContact O-CB 3.31Å; V589-K593 VanDerWaalsContact O-CG 3.3Å; V589-K593 WeakPolarHBondContact O-CG 3.4Å; V589-K593 PolarHBondContact O-N 3.27Å
590V79.1Confident81.1Confident72 Ų7277.9 Ų77.944%0.43641%0.41SS..Hα-helixtrans-64.3-38.6176.6170.30000110T586 K593 H594 I598T586-V590 VanDerWaalsContact O-CB 3.25Å; T586-V590 WeakPolarHBondContact O-CB 3.31Å; T586-V590 VanDerWaalsContact O-CG2 3.26Å; T586-V590 WeakPolarHBondContact O-CG2 3.44Å; T586-V590 PolarHBondContact O-N 2.98Å; V590-K593 PolarHBondContact O-N 3Å; V590-H594 WeakPolarHBondContact O-CB 3.3Å; V590-H594 PolarHBondContact O-N 3.2Å; V590-I598 HydrophobicContact CG1-CD1 3.97Å; V590-I598 WeakPolarHBondContact O-CD1 3.22Å
591Y80.8Confident81Confident119 Ų11982.8 Ų82.847%0.46742%0.418SS..Hα-helixtrans-59.7-56.2171.7-170.9-100.5000111.4L587 V589 K593 H594 Q595 I598L587-Y591 WeakPolarHBondContact O-CB 3.07Å; L587-Y591 PolarHBondContact O-N 3.06Å; V589-Y591 VanDerWaalsContact C-N 3.29Å; V589-Y591 PolarHBondContact O-N 2.81Å; Y591-K593 VanDerWaalsContact C-N 3.31Å; Y591-K593 PolarHBondContact O-N 3.4Å; Y591-H594 PolarHBondContact O-N 2.85Å; Y591-Q595 HydrophobicContact CD1-CG 4.22Å; Y591-Q595 HydrophobicContact CE1-CG 4.13Å; Y591-Q595 WeakPolarHBondContact O-CA 3.18Å; Y591-Q595 WeakPolarHBondContact O-CG 3.11Å; Y591-Q595 PolarHBondContact O-N 2.9Å; Y591-I598 HydrophobicContact CD2-CG2 4.34Å
592E79.8Confident80.9Confident102 Ų10283.9 Ų83.948%0.47743%0.425SS..Hα-helixtrans-55.8-40.7177.7-79.9-161.7153.900113.8Y446 P588 V589Y446-E592 VanDerWaalsContact CD1-CD 3.49Å; Y446-E592 HydrophobicContact CD1-CG 4.3Å; Y446-E592 WeakPolarHBondContact CD1-OE1 3.2Å; Y446-E592 HydrophobicContact CE1-CG 4.09Å; Y446-E592 WeakPolarHBondContact CE1-OE1 3.5Å; P588-E592 PolarHBondContact O-N 3.3Å; V589-E592 PolarHBondContact O-N 3.28Å
593K77.6Confident80.7Confident158 Ų15883 Ų8369%0.68742%0.424SS*.Hα-helixtrans-76.5-26.8-177.5-67-60.1179.2-168.70114.1V589 V590 Y591V589-K593 HydrophobicContact CG1-CG 4.4Å; V589-K593 WeakPolarHBondContact O-CB 3.31Å; V589-K593 VanDerWaalsContact O-CG 3.3Å; V589-K593 WeakPolarHBondContact O-CG 3.4Å; V589-K593 PolarHBondContact O-N 3.27Å; V590-K593 PolarHBondContact O-N 3Å; Y591-K593 VanDerWaalsContact C-N 3.31Å; Y591-K593 PolarHBondContact O-N 3.4Å
594H79.8Confident80.8Confident85 Ų8585.3 Ų85.339%0.39443%0.432SS..Hα-helixtrans-125.921.1-172.6-61.9-89.9000113.6V590 Y591 A596 Q597 I598V590-H594 WeakPolarHBondContact O-CB 3.3Å; V590-H594 PolarHBondContact O-N 3.2Å; Y591-H594 PolarHBondContact O-N 2.85Å; H594-A596 VanDerWaalsContact C-N 3.34Å; H594-A596 PolarHBondContact O-N 3.22Å; H594-A596 VanDerWaalsContact O-N 3.12Å; H594-Q597 HydrophobicContact CB-CB 4.4Å; H594-Q597 PolarHBondContact ND1-OE1 2.8Å; H594-Q597 WeakPolarHBondContact O-CA 3.13Å; H594-Q597 PolarHBondContact O-N 2.71Å; H594-I598 HydrophobicContact CB-CD1 3.71Å; H594-I598 HydrophobicContact CB-CG1 3.94Å; H594-I598 WeakPolarHBondContact O-CG1 3.34Å; H594-I598 PolarHBondContact O-N 2.94Å
595Q76.8Confident81Confident104 Ų10484.6 Ų84.649%0.48643%0.43SS..Hα-helixtrans-41.4-54.8-174.9-68.2-169.9-14.300113.7Y591 Q597 I598 D599Y591-Q595 HydrophobicContact CD1-CG 4.22Å; Y591-Q595 HydrophobicContact CE1-CG 4.13Å; Y591-Q595 WeakPolarHBondContact O-CA 3.18Å; Y591-Q595 WeakPolarHBondContact O-CG 3.11Å; Y591-Q595 PolarHBondContact O-N 2.9Å; Q595-Q597 PolarHBondContact O-N 2.96Å; Q595-I598 PolarHBondContact O-N 3.02Å; Q595-D599 WeakPolarHBondContact O-CB 3.32Å; Q595-D599 PolarHBondContact O-N 3.04Å
596A78.9Confident81.4Confident82 Ų8289.9 Ų89.968%0.67845%0.449SS*.Hα-helixtrans-65.7-36.6-178.500000113.5H594 Q600H594-A596 VanDerWaalsContact C-N 3.34Å; H594-A596 PolarHBondContact O-N 3.22Å; H594-A596 VanDerWaalsContact O-N 3.12Å; A596-Q600 WeakPolarHBondContact O-CB 3.32Å; A596-Q600 PolarHBondContact O-N 3.44Å
597Q77.5Confident81.9Confident108 Ų10892 Ų9251%0.50546%0.462SS..Hα-helixtrans-73.1-41.5177.5-67.5175.9-17.500111H594 Q595 Q600 Y601H594-Q597 HydrophobicContact CB-CB 4.4Å; H594-Q597 PolarHBondContact ND1-OE1 2.8Å; H594-Q597 WeakPolarHBondContact O-CA 3.13Å; H594-Q597 PolarHBondContact O-N 2.71Å; Q595-Q597 PolarHBondContact O-N 2.96Å; Q597-Q600 PolarHBondContact O-N 3.13Å; Q597-Y601 WeakPolarHBondContact O-CD2 3.5Å; Q597-Y601 PolarHBondContact O-N 2.95Å
598I82.4Confident82.1Confident48 Ų4892.5 Ų92.525%0.24646%0.461CS..Hα-helixtrans-67.3-45.6178.2-67.6165.5000110.4V590 Y591 H594 Q595 Q600 Y601 V602V590-I598 HydrophobicContact CG1-CD1 3.97Å; V590-I598 WeakPolarHBondContact O-CD1 3.22Å; Y591-I598 HydrophobicContact CD2-CG2 4.34Å; H594-I598 HydrophobicContact CB-CD1 3.71Å; H594-I598 HydrophobicContact CB-CG1 3.94Å; H594-I598 WeakPolarHBondContact O-CG1 3.34Å; H594-I598 PolarHBondContact O-N 2.94Å; Q595-I598 PolarHBondContact O-N 3.02Å; I598-Q600 VanDerWaalsContact C-N 3.32Å; I598-Q600 PolarHBondContact O-N 2.81Å; I598-Y601 PolarHBondContact O-N 3.16Å; I598-V602 HydrophobicContact CG2-CG2 4.21Å; I598-V602 WeakPolarHBondContact O-CB 3.43Å; I598-V602 VanDerWaalsContact O-CG2 3.26Å; I598-V602 WeakPolarHBondContact O-CG2 3.38Å; I598-V602 PolarHBondContact O-N 2.95Å
599D83.5Confident82.6Confident88 Ų8894.9 Ų94.947%0.47148%0.475SS..Hα-helixtrans-70-29.3176.8-16554.9000112Q595 G603 R606Q595-D599 WeakPolarHBondContact O-CB 3.32Å; Q595-D599 PolarHBondContact O-N 3.04Å; D599-G603 WeakPolarHBondContact O-CA 3.33Å; D599-G603 PolarHBondContact O-N 3.04Å; D599-R606 IonicContact OD1-NH1 3.4Å; D599-R606 PolarHBondContact OD1-NH1 3.14Å
600Q82.3Confident83Confident130 Ų13098.9 Ų98.961%0.60750%0.495SS*.Hα-helixtrans-63.2-47.8166.9-177.6177.4-2.900111.7A596 Q597 I598 G603 L604A596-Q600 WeakPolarHBondContact O-CB 3.32Å; A596-Q600 PolarHBondContact O-N 3.44Å; Q597-Q600 PolarHBondContact O-N 3.13Å; I598-Q600 VanDerWaalsContact C-N 3.32Å; I598-Q600 PolarHBondContact O-N 2.81Å; Q600-G603 PolarHBondContact O-N 3.46Å; Q600-L604 HydrophobicContact CG-CD1 4.09Å; Q600-L604 VanDerWaalsContact O-CD1 3.26Å; Q600-L604 WeakPolarHBondContact O-CD1 3.5Å; Q600-L604 PolarHBondContact O-N 2.84Å
601Y82.4Confident83.5Confident160 Ų16097.5 Ų97.563%0.62749%0.489SS*.Hα-helixtrans-65.6-40.4176.8-81-63.4000112.5Q597 I598 G603 L604 I605Q597-Y601 WeakPolarHBondContact O-CD2 3.5Å; Q597-Y601 PolarHBondContact O-N 2.95Å; I598-Y601 PolarHBondContact O-N 3.16Å; Y601-G603 VanDerWaalsContact C-N 3.31Å; Y601-L604 PolarHBondContact O-N 3.46Å; Y601-I605 WeakPolarHBondContact O-CB 3.35Å; Y601-I605 WeakPolarHBondContact O-CD1 3.28Å; Y601-I605 VanDerWaalsContact O-CG1 3.25Å; Y601-I605 WeakPolarHBondContact O-CG1 3.36Å; Y601-I605 PolarHBondContact O-N 3.37Å
602V83.6Confident83.7Confident51 Ų5195.3 Ų95.331%0.30949%0.488SS..Hα-helixtrans-66.4-34.6173.5170.40000110.7I598 I605 R606I598-V602 HydrophobicContact CG2-CG2 4.21Å; I598-V602 WeakPolarHBondContact O-CB 3.43Å; I598-V602 VanDerWaalsContact O-CG2 3.26Å; I598-V602 WeakPolarHBondContact O-CG2 3.38Å; I598-V602 PolarHBondContact O-N 2.95Å; V602-I605 PolarHBondContact O-N 2.79Å; V602-R606 HydrophobicContact CG1-CG 4.35Å; V602-R606 VanDerWaalsContact CG1-CZ 3.41Å; V602-R606 VanDerWaalsContact O-CB 3.26Å; V602-R606 WeakPolarHBondContact O-CB 3.44Å; V602-R606 WeakPolarHBondContact O-CG 3.3Å; V602-R606 PolarHBondContact O-N 3.06Å
603G82.4Confident83.9Confident23 Ų2394 Ų9424%0.23749%0.487CS..Hα-helixtrans-64.6-45.2171.400000112.2D599 Q600 Y601 R606 T607D599-G603 WeakPolarHBondContact O-CA 3.33Å; D599-G603 PolarHBondContact O-N 3.04Å; Q600-G603 PolarHBondContact O-N 3.46Å; Y601-G603 VanDerWaalsContact C-N 3.31Å; G603-R606 PolarHBondContact O-N 3.44Å; G603-T607 VanDerWaalsContact O-CB 3.28Å; G603-T607 WeakPolarHBondContact O-CB 3.29Å; G603-T607 PolarHBondContact O-N 2.74Å; G603-T607 PolarHBondContact O-OG1 3.08Å
604L86.4Confident84.2Confident94 Ų9487.9 Ų87.949%0.49247%0.469SS..Hα-helixtrans-61-46172.1-96.770000111.3Q600 Y601 T607 Q608Q600-L604 HydrophobicContact CG-CD1 4.09Å; Q600-L604 VanDerWaalsContact O-CD1 3.26Å; Q600-L604 WeakPolarHBondContact O-CD1 3.5Å; Q600-L604 PolarHBondContact O-N 2.84Å; Y601-L604 PolarHBondContact O-N 3.46Å; L604-T607 PolarHBondContact O-N 2.86Å; L604-Q608 WeakPolarHBondContact O-CB 3.29Å; L604-Q608 WeakPolarHBondContact O-CG 3.28Å; L604-Q608 PolarHBondContact O-N 2.91Å
605I88.8Confident84.5Confident108 Ų10889.6 Ų89.655%0.55448%0.475SS*.Hα-helixtrans-63.5-46.4177.3-69.4161.3000110.5Y601 V602 T607 Q608 V609Y601-I605 WeakPolarHBondContact O-CB 3.35Å; Y601-I605 WeakPolarHBondContact O-CD1 3.28Å; Y601-I605 VanDerWaalsContact O-CG1 3.25Å; Y601-I605 WeakPolarHBondContact O-CG1 3.36Å; Y601-I605 PolarHBondContact O-N 3.37Å; V602-I605 PolarHBondContact O-N 2.79Å; I605-T607 VanDerWaalsContact C-N 3.26Å; I605-T607 PolarHBondContact O-N 2.92Å; I605-Q608 PolarHBondContact O-N 3.33Å; I605-V609 HydrophobicContact CG2-CG2 4.25Å; I605-V609 WeakPolarHBondContact O-CB 3.4Å; I605-V609 VanDerWaalsContact O-CG2 3.26Å; I605-V609 WeakPolarHBondContact O-CG2 3.44Å; I605-V609 PolarHBondContact O-N 3.29Å
606R88.8Confident84.7Confident142 Ų14288.7 Ų88.754%0.53647%0.473SS..Hα-helixtrans-57.9-38.9172.9-76.7168.8178.61500.6111.5D599 V602 G603 N610D599-R606 IonicContact OD1-NH1 3.4Å; D599-R606 PolarHBondContact OD1-NH1 3.14Å; V602-R606 HydrophobicContact CG1-CG 4.35Å; V602-R606 VanDerWaalsContact CG1-CZ 3.41Å; V602-R606 VanDerWaalsContact O-CB 3.26Å; V602-R606 WeakPolarHBondContact O-CB 3.44Å; V602-R606 WeakPolarHBondContact O-CG 3.3Å; V602-R606 PolarHBondContact O-N 3.06Å; G603-R606 PolarHBondContact O-N 3.44Å; R606-N610 WeakPolarHBondContact O-CB 3.27Å; R606-N610 PolarHBondContact O-N 2.96Å; R606-N610 PolarHBondContact O-ND2 2.88Å; R606-N610 PolarHBondContact O-OD1 3.12Å
607T90.5Very high84.5Confident93 Ų9391.6 Ų91.657%0.57147%0.472SS*.Hα-helixtrans-70.7-41.3178.9-58.80000111.5G603 L604 I605 N610 S611G603-T607 VanDerWaalsContact O-CB 3.28Å; G603-T607 WeakPolarHBondContact O-CB 3.29Å; G603-T607 PolarHBondContact O-N 2.74Å; G603-T607 PolarHBondContact O-OG1 3.08Å; L604-T607 PolarHBondContact O-N 2.86Å; I605-T607 VanDerWaalsContact C-N 3.26Å; I605-T607 PolarHBondContact O-N 2.92Å; T607-N610 PolarHBondContact O-N 3.36Å; T607-S611 VanDerWaalsContact O-CB 3.27Å; T607-S611 WeakPolarHBondContact O-CB 3.42Å; T607-S611 PolarHBondContact O-N 3.07Å
608Q86.5Confident84.4Confident120 Ų12090.3 Ų90.356%0.56148%0.48SS*.Hα-helixtrans-68.8-42.1174.5-69.3-66.1-2.400111.6L604 I605 S611 V612L604-Q608 WeakPolarHBondContact O-CB 3.29Å; L604-Q608 WeakPolarHBondContact O-CG 3.28Å; L604-Q608 PolarHBondContact O-N 2.91Å; I605-Q608 PolarHBondContact O-N 3.33Å; Q608-S611 PolarHBondContact O-N 2.86Å; Q608-V612 WeakPolarHBondContact O-CB 3.35Å; Q608-V612 VanDerWaalsContact O-CG2 3.29Å; Q608-V612 WeakPolarHBondContact O-CG2 3.42Å; Q608-V612 PolarHBondContact O-N 3.22Å
609V88.5Confident83.8Confident76 Ų7696.5 Ų96.546%0.46151%0.505SS..Hα-helixtrans-60.6-46.5172.6168.80000110.3I605 S611 V612 V613I605-V609 HydrophobicContact CG2-CG2 4.25Å; I605-V609 WeakPolarHBondContact O-CB 3.4Å; I605-V609 VanDerWaalsContact O-CG2 3.26Å; I605-V609 WeakPolarHBondContact O-CG2 3.44Å; I605-V609 PolarHBondContact O-N 3.29Å; V609-S611 VanDerWaalsContact C-N 3.33Å; V609-S611 PolarHBondContact O-N 3.33Å; V609-V612 PolarHBondContact O-N 3Å; V609-V613 HydrophobicContact CG1-CG2 4.19Å; V609-V613 VanDerWaalsContact O-CB 3.28Å; V609-V613 WeakPolarHBondContact O-CB 3.45Å; V609-V613 VanDerWaalsContact O-CG2 3.24Å; V609-V613 WeakPolarHBondContact O-CG2 3.26Å; V609-V613 PolarHBondContact O-N 2.89Å
610N87.8Confident82.9Confident113 Ų11397.7 Ų97.760%0.60451%0.51SS*.Hα-helixtrans-66.1-33.4175.8-71.6-8.5000112.4R606 T607 G614R606-N610 WeakPolarHBondContact O-CB 3.27Å; R606-N610 PolarHBondContact O-N 2.96Å; R606-N610 PolarHBondContact O-ND2 2.88Å; R606-N610 PolarHBondContact O-OD1 3.12Å; T607-N610 PolarHBondContact O-N 3.36Å; N610-G614 PolarHBondContact O-N 3.44Å
611S87.9Confident81.5Confident43 Ų4397.5 Ų97.530%0.30152%0.521SS..Hα-helixtrans-68.2-41.9173.4-1690000111.7T607 Q608 V609 K615T607-S611 VanDerWaalsContact O-CB 3.27Å; T607-S611 WeakPolarHBondContact O-CB 3.42Å; T607-S611 PolarHBondContact O-N 3.07Å; Q608-S611 PolarHBondContact O-N 2.86Å; V609-S611 VanDerWaalsContact C-N 3.33Å; V609-S611 PolarHBondContact O-N 3.33Å; S611-K615 VanDerWaalsContact O-CB 3.31Å; S611-K615 WeakPolarHBondContact O-CB 3.13Å; S611-K615 VanDerWaalsContact O-CD 3.3Å; S611-K615 WeakPolarHBondContact O-CD 3.44Å; S611-K615 WeakPolarHBondContact O-CG 3.48Å; S611-K615 PolarHBondContact O-N 2.84Å; S611-K615 WeakPolarHBondContact OG-CE 3.47Å; S611-K615 PolarHBondContact OG-NZ 3.45Å
612V85.3Confident80.2Confident73 Ų7393.1 Ų93.144%0.44252%0.524SS..Hα-helixtrans-70-46177.4168.40000110.6Q608 V609 G614 K615 I616Q608-V612 WeakPolarHBondContact O-CB 3.35Å; Q608-V612 VanDerWaalsContact O-CG2 3.29Å; Q608-V612 WeakPolarHBondContact O-CG2 3.42Å; Q608-V612 PolarHBondContact O-N 3.22Å; V609-V612 PolarHBondContact O-N 3Å; V612-G614 VanDerWaalsContact C-N 3.34Å; V612-G614 PolarHBondContact O-N 3.42Å; V612-K615 PolarHBondContact O-N 3.03Å; V612-I616 HydrophobicContact CG1-CD1 3.66Å; V612-I616 HydrophobicContact CG1-CG1 4.41Å; V612-I616 WeakPolarHBondContact O-CB 3.29Å; V612-I616 WeakPolarHBondContact O-CG1 3.46Å; V612-I616 PolarHBondContact O-N 2.93Å
613V84.4Confident78.5Confident75 Ų7595.2 Ų95.246%0.45555%0.546SS..Hα-helixtrans-59.7-43.5172.4169.50000110.5V609 I616 Q617V609-V613 HydrophobicContact CG1-CG2 4.19Å; V609-V613 VanDerWaalsContact O-CB 3.28Å; V609-V613 WeakPolarHBondContact O-CB 3.45Å; V609-V613 VanDerWaalsContact O-CG2 3.24Å; V609-V613 WeakPolarHBondContact O-CG2 3.26Å; V609-V613 PolarHBondContact O-N 2.89Å; V613-I616 PolarHBondContact O-N 3.3Å; V613-Q617 WeakPolarHBondContact O-CB 3.38Å; V613-Q617 PolarHBondContact O-N 3.32Å
614G84.3Confident76.8Confident30 Ų30104.1 Ų104.131%0.30958%0.578SS.*Hα-helixtrans-63.5-41.7174.800000113.1N610 V612 Q617 A618N610-G614 PolarHBondContact O-N 3.44Å; V612-G614 VanDerWaalsContact C-N 3.34Å; V612-G614 PolarHBondContact O-N 3.42Å; G614-Q617 PolarHBondContact O-N 2.61Å; G614-A618 VanDerWaalsContact O-CB 3.26Å; G614-A618 WeakPolarHBondContact O-CB 3.36Å; G614-A618 PolarHBondContact O-N 3.5Å
615K84.6Confident74.8Confident120 Ų120111.1 Ų111.152%0.52260%0.599SS.*Hα-helixtrans-65.8-35.5173.7-75.3160.3-178.6153.70112.4S611 V612 K619S611-K615 VanDerWaalsContact O-CB 3.31Å; S611-K615 WeakPolarHBondContact O-CB 3.13Å; S611-K615 VanDerWaalsContact O-CD 3.3Å; S611-K615 WeakPolarHBondContact O-CD 3.44Å; S611-K615 WeakPolarHBondContact O-CG 3.48Å; S611-K615 PolarHBondContact O-N 2.84Å; S611-K615 WeakPolarHBondContact OG-CE 3.47Å; S611-K615 PolarHBondContact OG-NZ 3.45Å; V612-K615 PolarHBondContact O-N 3.03Å; K615-K619 WeakPolarHBondContact O-CB 3.32Å; K615-K619 VanDerWaalsContact O-CG 3.28Å; K615-K619 WeakPolarHBondContact O-CG 3.17Å; K615-K619 PolarHBondContact O-N 3.26Å; K615-K619 VanDerWaalsContact O-N 3.13Å
616I81.9Confident72.7Confident86 Ų86114.8 Ų114.844%0.44161%0.61SS.*Hα-helixtrans-71.5-45.4174.8-71.4166.4000109.9V612 V613 A618 K619 I620V612-I616 HydrophobicContact CG1-CD1 3.66Å; V612-I616 HydrophobicContact CG1-CG1 4.41Å; V612-I616 WeakPolarHBondContact O-CB 3.29Å; V612-I616 WeakPolarHBondContact O-CG1 3.46Å; V612-I616 PolarHBondContact O-N 2.93Å; V613-I616 PolarHBondContact O-N 3.3Å; I616-A618 VanDerWaalsContact C-N 3.34Å; I616-A618 PolarHBondContact O-N 2.92Å; I616-K619 CarbonylContact O-C 3.53Å; I616-K619 VanDerWaalsContact O-C 3.28Å; I616-K619 WeakPolarHBondContact O-CA 3.34Å; I616-K619 PolarHBondContact O-N 2.74Å; I616-I620 HydrophobicContact CG2-CD1 3.58Å; I616-I620 HydrophobicContact CG2-CG1 4.28Å; I616-I620 WeakPolarHBondContact O-CG1 3.25Å; I616-I620 PolarHBondContact O-N 3.33Å
617Q74.6Confident70.6Confident143 Ų143117.5 Ų117.567%0.66863%0.629SS**Hα-helixtrans-64.9-36.9178.6-168173.323.800111.8V613 G614 K619 I620V613-Q617 WeakPolarHBondContact O-CB 3.38Å; V613-Q617 PolarHBondContact O-N 3.32Å; G614-Q617 PolarHBondContact O-N 2.61Å; Q617-K619 VanDerWaalsContact C-N 3.28Å; Q617-K619 PolarHBondContact O-N 3.11Å; Q617-I620 PolarHBondContact O-N 3.39Å
618A75.2Confident68Low81 Ų81125 Ų12567%0.66966%0.657SS**Hα-helixtrans-68.8-24.1169.800000113.4G614 I616G614-A618 VanDerWaalsContact O-CB 3.26Å; G614-A618 WeakPolarHBondContact O-CB 3.36Å; G614-A618 PolarHBondContact O-N 3.5Å; I616-A618 VanDerWaalsContact C-N 3.34Å; I616-A618 PolarHBondContact O-N 2.92Å
619K70.4Confident67Low178 Ų178125.2 Ų125.277%0.77466%0.662SS**Hα-helixtrans-93.9-2.7174-75.6-175.4173.2-1660114.3K615 I616 Q617 P621K615-K619 WeakPolarHBondContact O-CB 3.32Å; K615-K619 VanDerWaalsContact O-CG 3.28Å; K615-K619 WeakPolarHBondContact O-CG 3.17Å; K615-K619 PolarHBondContact O-N 3.26Å; K615-K619 VanDerWaalsContact O-N 3.13Å; I616-K619 CarbonylContact O-C 3.53Å; I616-K619 VanDerWaalsContact O-C 3.28Å; I616-K619 WeakPolarHBondContact O-CA 3.34Å; I616-K619 PolarHBondContact O-N 2.74Å; Q617-K619 VanDerWaalsContact C-N 3.28Å; Q617-K619 PolarHBondContact O-N 3.11Å; K619-P621 VanDerWaalsContact O-CD 3.24Å; K619-P621 WeakPolarHBondContact O-CD 3.35Å
620I63.5Low65.9Low113 Ų113127.8 Ų127.858%0.57967%0.673SS**  trans-116.471.8171.5-57.2172.7000108.8I616 Q617 G622I616-I620 HydrophobicContact CG2-CD1 3.58Å; I616-I620 HydrophobicContact CG2-CG1 4.28Å; I616-I620 WeakPolarHBondContact O-CG1 3.25Å; I616-I620 PolarHBondContact O-N 3.33Å; Q617-I620 PolarHBondContact O-N 3.39Å; I620-G622 VanDerWaalsContact C-N 3.28Å; I620-G622 PolarHBondContact O-N 3.12Å
621P53.9Low64.7Low126 Ų126128.6 Ų128.682%0.81868%0.677SS**  trans-75.376.1175.933.4-36.6000110.7K619K619-P621 VanDerWaalsContact O-CD 3.24Å; K619-P621 WeakPolarHBondContact O-CD 3.35Å
622G55.3Low63.3Low68 Ų68133.6 Ų133.670%0.70170%0.699SS**  trans-154.17-167.900000119.2I620I620-G622 VanDerWaalsContact C-N 3.28Å; I620-G622 PolarHBondContact O-N 3.12Å
623A47.2Very low62Low94 Ų94137.4 Ų137.478%0.77772%0.715SS**  trans-144.844.8-176.600000115.1R625A623-R625 VanDerWaalsContact C-N 3.33Å; A623-R625 PolarHBondContact O-N 3.03Å
624K47.4Very low60.5Low210 Ų210141.6 Ų141.691%0.91373%0.732SS**  trans-68.890.6162.7-72.4-172.3178.5-176.10109.4K626K624-K626 PolarHBondContact O-N 2.64Å
625R43.7Very low58.8Low242 Ų242149.6 Ų149.691%0.91376%0.762SS**PPolyproline II helixtrans-65127155.8-83.8-172.1173165.3-0.3107.3A623A623-R625 VanDerWaalsContact C-N 3.33Å; A623-R625 PolarHBondContact O-N 3.03Å
626K45.9Very low56.8Low184 Ų184151.8 Ų151.880%0.878%0.781SS**PPolyproline II helixtrans-66.8147174.4-64.4-179.3175.5-174.80109.5K624K624-K626 PolarHBondContact O-N 2.64Å
627E42.9Very low54.7Low200 Ų200157.3 Ų157.394%0.93581%0.809SS**PPolyproline II helixtrans-81.2121.9151.4-64.4170.4125.900107.2
628E36.2Very low52.9Low249 Ų249158.6 Ų158.6100%1.16482%0.822SS**  trans-158.50158.3-162.3165.5-17100108.3

Retrieved 628 of 628 residues in 777.2 ms (Link to these results)