A0A3Q0KL26_SCHMA Loading...

Putative ets

AlphaFold DB , UniProt , Accession A0A3Q0KL26, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,166 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M28.7Very low29.3Very low211 Ų211165.5 Ų165.5100%1.03981%0.812SS**  067.70-172.7175.871.300110.4
2W26.9Very low29.3Very low236 Ų236166.2 Ų166.289%0.89481%0.812SS**  trans-144.312.2-170.1-11861.8000114.7
3V28.8Very low29.3Very low140 Ų140171.8 Ų171.885%0.84882%0.819SS**SBendtrans-97.6-4.7-175.6179.70000112.3
4Q27.1Very low29.3Very low187 Ų187165.8 Ų165.887%0.87480%0.804SS**SBendtrans-119.235-167.4-152.6160.1-2.100113.5
5T32.3Very low29.1Very low108 Ų108165.3 Ų165.366%0.66381%0.807SS**SBendtrans-131.910.3177.7-20.70000113.4
6W30.7Very low29Very low231 Ų231170.3 Ų170.388%0.87581%0.814SS**SBendtrans-113.7-19.2-176.1-141.752.1000114.7
7C29.7Very low29.1Very low111 Ų111171.1 Ų171.175%0.7582%0.817SS**SBendtrans-80.3-20-177.2-64.30000115
8E27.5Very low29.1Very low174 Ų174170.6 Ų170.681%0.81382%0.82SS**SBendtrans-93.6-15.4-175.4-64.5-170.3137.300114.5
9N29.4Very low29.1Very low133 Ų133168.1 Ų168.171%0.71182%0.819SS**SBendtrans-94.2-1.7179.3-82.2-67000114.3
10A31.8Very low29.1Very low77 Ų77169.3 Ų169.364%0.63682%0.823SS**SBendtrans-81.9-22.4178.400000113.7
11Y29Very low29.2Very low212 Ų212167.1 Ų167.183%0.83183%0.825SS**THydrogen-bonded Turntrans-94.54.4-169.7-124.7-88.3000115.5
12H30.1Very low29.5Very low174 Ų174162.4 Ų162.481%0.80681%0.812SS**THydrogen-bonded Turntrans-128.124.6-174.9-98.8-50.5000114.5
13R29.2Very low29.5Very low239 Ų239158 Ų15890%0.90281%0.807SS**SBendtrans-1265.4179.2-116.5-177.8-174.2-148.50.5117.2
14S28.4Very low29.7Very low88 Ų88158 Ų15862%0.61580%0.802SS**SBendtrans-93.5167.5150.551.70000109.8
15N26.6Very low30Very low159 Ų159157.2 Ų157.285%0.8580%0.798SS**  trans60.470.8175-58.1-5.2000116.1
16R27.3Very low29.9Very low244 Ų244160.5 Ų160.592%0.92180%0.803SS**  trans-149.730.4157.2-134.1-179.8-166.8-1724.6118.6
17E30.7Very low29.7Very low184 Ų184157.5 Ų157.586%0.8680%0.798SS**SBendtrans-129.6152.3162.5-65.5-171.8162.900109.4
18N29.5Very low29.6Very low163 Ų163161.4 Ų161.487%0.87280%0.799SS**  trans58.293.2-175.3-68.9-2.4000118.8
19P28.6Very low29.7Very low122 Ų122159.8 Ų159.879%0.79279%0.794SS**  trans-11189.9157.235.6-22.7000111.8
20E28.8Very low29.6Very low192 Ų192160.4 Ų160.490%0.89779%0.793SS**  trans-174.792160.9-111.7164.6-138.200112.5
21S32.4Very low29.2Very low125 Ų125161.5 Ų161.587%0.87480%0.796SS**  trans179.9145.4145.528.10000112.6
22S33.7Very low29.2Very low111 Ų111158.9 Ų158.978%0.77680%0.795SS**  trans-61.4121.2-168.348.20000118.6
23N28.8Very low29.1Very low144 Ų144155.1 Ų155.177%0.7779%0.786SS**  33139.2119.5-73.82.1000123
24N32.1Very low28.9Very low139 Ų139153.4 Ų153.474%0.74378%0.781SS**  trans84.393.2144.7-62-7.4000121.3
25H32.8Very low28.9Very low172 Ų172156 Ų15680%0.79679%0.787SS**  -159.2126.6113-110.359.5000114.7
26F30.3Very low28.8Very low177 Ų177158 Ų15878%0.77678%0.784SS**  trans45.394.9149.1-73.9-102.5000123.8
27H26.9Very low28.8Very low167 Ų167152.1 Ų152.177%0.77378%0.778SS**  26147.1111.8-92.4-76.7000124.5
28Y28.1Very low28.5Very low193 Ų193147.8 Ų147.876%0.75777%0.768SS**  trans72.1137.1161.1-91-113.3000115.5
29I29.7Very low28.3Very low141 Ų141146.6 Ų146.672%0.72376%0.761SS**  cis-130.8129.511.2-75.7176.6000107.9
30Q26Very low28.3Very low146 Ų146149 Ų14968%0.68276%0.76SS**  74.2109.777.5-133-177.6-9.500116.6
31S24.3Very low28.4Very low100 Ų100146.5 Ų146.570%0.69975%0.749SS**  trans27.6118.8151.459.50000122.1
32I28.5Very low28.3Very low156 Ų156146.1 Ų146.180%0.874%0.737SS**  trans-134.3119.7149.9-59.9178.9000109.7
33P27.8Very low28.1Very low96 Ų96147 Ų14762%0.62373%0.732SS**  trans-96.5159.6155.436-29.2000111.1
34Y25.2Very low28.2Very low203 Ų203147.2 Ų147.280%0.79673%0.732SS**  trans66.3156.6-174-53.9-88.2000113.1
35N28.1Very low28Very low141 Ų141148.2 Ų148.275%0.75473%0.732SS**  cis-143.9168.713-142.5-6000112.8
36Y25.3Very low27.9Very low201 Ų201147 Ų14779%0.78873%0.732SS**  trans-65.7161.4166.4-104.4-103000111.3
37P27.1Very low27.8Very low121 Ų121145.4 Ų145.479%0.78673%0.731SS**  -130.1153.712237.6-31.7000113.1
38S23.6Very low27.9Very low93 Ų93145 Ų14565%0.6574%0.735SS**  trans-157.2160.8166-75.10000109
39I27Very low28.3Very low139 Ų139140.4 Ų140.471%0.71373%0.728SS**  trans71.4109.1179-47.3176.1000114
40H27.6Very low28.3Very low171 Ų171140.3 Ų140.379%0.79273%0.73SS**  trans-100.5150.8140-145.1-69.9000107
41E31Very low28.5Very low140 Ų140140.7 Ų140.765%0.65474%0.735SS**  trans-80147.7-164.5-63.4159112.200115.2
42N30Very low28.7Very low118 Ų118142.1 Ų142.163%0.63173%0.733SS**  -178118.9125.4-83.5-26.4000106.1
43L29Very low28.7Very low128 Ų128141.7 Ų141.767%0.6773%0.733SS**  61.4125.366.3-57.7175.1000111.2
44I31.6Very low28.8Very low149 Ų149141 Ų14176%0.76473%0.73SS**  cis-148166.75.4-109.9158.2000110.9
45Q28.8Very low29Very low161 Ų161141.2 Ų141.275%0.75274%0.736SS**  trans-83.4152.8174.7-57.2163.1-92.300112.8
46N30.6Very low29Very low146 Ų146138.9 Ų138.978%0.78173%0.73SS**  167.4149.3109.1-85.1-37.5000113.6
47D27.4Very low29.2Very low144 Ų144138.3 Ų138.377%0.7773%0.728SS**  trans-85145.2173.6-50.7-84.7000112.6
48N29.6Very low29.4Very low158 Ų158140.1 Ų140.185%0.84573%0.731SS**  -177161111.1-99.3-69.1000112.4
49P35.2Very low29.7Very low96 Ų96140.7 Ų140.762%0.62373%0.726SS**  trans-112.8175.5-161.142.3-36.8000116.9
50N30Very low30Very low140 Ų140140 Ų14075%0.74972%0.724SS**  trans95.6135.6146.8-74-26.4000122
51I31.2Very low30.1Very low153 Ų153141.1 Ų141.179%0.78573%0.727SS**  trans73.4137.1159.3-63.9156.2000117.1
52I27.9Very low30.2Very low131 Ų131140.1 Ų140.167%0.67273%0.725SS**  cis-178.3155.9-43.2-104.5164.5000106.6
53N29.3Very low30.2Very low147 Ų147139.2 Ų139.279%0.78672%0.72SS**  trans69144.4176.5-63.9-21000117.3
54S29.3Very low30.3Very low82 Ų82139.7 Ų139.757%0.57373%0.729SS**  cis164.1136.1-37.248.70000108.2
55F28.8Very low30.1Very low207 Ų207141.6 Ų141.691%0.90873%0.726SS**  trans-173.9170.4134.9-98.4-59.1000110.2
56S29.2Very low30.3Very low91 Ų91142.3 Ų142.364%0.63673%0.734SS**  trans-133175-140.5-50.80000116.3
57Y29.5Very low30.3Very low190 Ų190140.3 Ų140.375%0.74573%0.73SS**  trans88.4117.1159.6-67-70.2000120.5
58N30.5Very low30.4Very low159 Ų159141.2 Ų141.285%0.8573%0.733SS**  -153.7164.691.7-117.1-37.2000112.9
59N31.2Very low30.3Very low104 Ų104138.7 Ų138.756%0.55673%0.728SS**  trans-119.9154.3-168.9-51.4-66.7000113.3
60N33Very low29.9Very low125 Ų125144.7 Ų144.767%0.66874%0.744SS**  154.4124111.6-84.4-34.4000115
61F30Very low29.6Very low194 Ų194144.8 Ų144.885%0.85174%0.744SS**  170.1101.7123.6-100.6-74.3000106
62I32.4Very low29.5Very low119 Ų119146.6 Ų146.661%0.6175%0.749SS**  70.510957.4-57.1177.5000110.7
63D29.9Very low29.7Very low99 Ų99147.8 Ų147.853%0.52976%0.755SS.*  cis-132.7-122.1-6.7-160.355.1000109.8R65D63-R65 IonicContact OD1-NE 4Å; D63-R65 PolarHBondContact OD1-NE 3.4Å; D63-R65 VanDerWaalsContact OD1-NE 3.17Å; D63-R65 WeakPolarHBondContact OD2-CB 3.46Å; D63-R65 VanDerWaalsContact OD2-CD 3.26Å; D63-R65 WeakPolarHBondContact OD2-CD 3.27Å; D63-R65 WeakPolarHBondContact OD2-CG 3.35Å; D63-R65 PolarHBondContact OD2-N 3.12Å; D63-R65 IonicContact OD2-NE 2.66Å
64T30.8Very low30Very low139 Ų139145.8 Ų145.885%0.85375%0.75SS**  cis-125.9122.42.5-59.40000109.8
65R28.2Very low30Very low188 Ų188145 Ų14571%0.70975%0.745SS**  trans-78.8147.6-169.8-72.6154.2179.3-124.2-6.8115.9D63D63-R65 IonicContact OD1-NE 4Å; D63-R65 PolarHBondContact OD1-NE 3.4Å; D63-R65 VanDerWaalsContact OD1-NE 3.17Å; D63-R65 WeakPolarHBondContact OD2-CB 3.46Å; D63-R65 VanDerWaalsContact OD2-CD 3.26Å; D63-R65 WeakPolarHBondContact OD2-CD 3.27Å; D63-R65 WeakPolarHBondContact OD2-CG 3.35Å; D63-R65 PolarHBondContact OD2-N 3.12Å; D63-R65 IonicContact OD2-NE 2.66Å
66L31.6Very low30.1Very low176 Ų176137.3 Ų137.392%0.92172%0.716SS**  trans-93.5141.7133-68.5170.4000108.6
67P31.7Very low30.1Very low105 Ų105136.2 Ų136.268%0.68271%0.708SS**  trans-137.5155.6159.137.4-23.7000114.1
68I28.5Very low30.3Very low162 Ų162133.3 Ų133.383%0.83171%0.706SS**  trans-125.8128.9164.7-72.4-178.7000109.1
69S27.2Very low30.3Very low106 Ų106131 Ų13174%0.74169%0.693SS**  trans38.1131.3155.4-54.60000122.6
70F26.7Very low30.7Very low221 Ų221131.4 Ų131.497%0.96970%0.702SS**  trans-150162.2131.7-106.5-74.3000110.6
71L25.2Very low30.5Very low143 Ų143132.4 Ų132.475%0.74971%0.707SS**  trans-116.2142.1-168.7-90155.5000112.9
72Q29Very low30.7Very low191 Ų191127.9 Ų127.989%0.89370%0.7SS**  166.3150.6118.9-93.5164.2-77.800113
73I31Very low30.8Very low156 Ų156128.1 Ų128.180%0.871%0.706SS**  trans-147.5136.2-159.7-62.5157.4000112.7
74P35.4Very low30.9Very low104 Ų104131.8 Ų131.868%0.67572%0.723SS**  trans-146.1165.2160.939.9-23.4000117.9
75S30.7Very low30.9Very low66 Ų66132 Ų13246%0.46272%0.717SS.*  trans83.978.7145.440.30000124.4E347S75-E347 VanDerWaalsContact CA-CD 3.45Å; S75-E347 VanDerWaalsContact CA-OE1 3.24Å; S75-E347 WeakPolarHBondContact CA-OE1 3.21Å; S75-E347 WeakPolarHBondContact CA-OE2 3.34Å; S75-E347 PolarHBondContact N-OE1 3.09Å; S75-E347 PolarHBondContact N-OE2 3.36Å
76S30.3Very low31.1Very low45 Ų45129 Ų12932%0.31572%0.72SS.*  95.7116.699.9740000126.1E347 M348S76-E347 WeakPolarHBondContact CA-OE2 3.46Å; S76-E347 PolarHBondContact N-OE2 3.39Å; S76-M348 WeakPolarHBondContact OG-CE 3.33Å; S76-M348 WeakPolarHBondContact OG-CG 3.48Å; S76-M348 PolarHBondContact OG-SD 3.14Å; S76-M348 VanDerWaalsContact OG-SD 3.38Å
77C28.8Very low31Very low69 Ų69124.1 Ų124.147%0.46670%0.7SS.*  146.2123.6114.4-80.90000117.8T346C77-T346 VanDerWaalsContact C-OG1 3.24Å; C77-T346 WeakPolarHBondContact CA-OG1 3.35Å; C77-T346 PolarHBondContact N-OG1 3.14Å
78N33.5Very low31.1Very low128 Ų128123.8 Ų123.868%0.68469%0.689SS**  trans74.4130.2150.2-54.9-22.1000122.6T346N78-T346 PolarHBondContact N-OG1 3.28Å
79D31.1Very low31.3Very low111 Ų111123.4 Ų123.459%0.59468%0.679SS**  trans-104-122.9164.7-57.3-72.3000110.4R345D79-R345 PolarHBondContact OD2-N 3.46Å
80P38.7Very low31.4Very low113 Ų113121.9 Ų121.973%0.73467%0.668SS**  cis-140.5174-14.444.4-25.6000118.3
81N30.6Very low31.5Very low145 Ų145113.7 Ų113.778%0.77564%0.638SS**  trans74.2130.6144-89.1-9.4000128.5
82S33.1Very low31.9Very low100 Ų100110.7 Ų110.770%0.69963%0.629SS**  trans-167.6162.4149.8-141.70000108.9
83T34.7Very low32.4Very low123 Ų123107.4 Ų107.476%0.75562%0.624SS**  cis-139.6-105.73.3-420000112.3
84M31.1Very low32.5Very low176 Ų176106.9 Ų106.987%0.86763%0.628SS**  trans-157.1171.4-171.7-73.6-167.5160.400109.6
85I32.9Very low32.3Very low145 Ų145107.3 Ų107.374%0.74463%0.629SS**  cis-158.4126.948.4-78.4178.5000112.9
86T31.7Very low32.2Very low123 Ų123111.4 Ų111.476%0.75565%0.645SS**  trans39.6156.4149670000124.9
87S30.3Very low32.1Very low74 Ų74115.2 Ų115.252%0.51766%0.662SS.*  cis161.1151.7-46.856.60000113.9
88H32.2Very low32.1Very low98 Ų98121.3 Ų121.345%0.45468%0.676SS.*  trans69.7159155.5-63.3-60.1000119.5D337 N338H88-D337 IonicContact CE1-OD1 3.53Å; H88-N338 PolarHBondContact CE1-ND2 3.19Å; H88-N338 PolarHBondContact ND1-ND2 3.45Å; H88-N338 PolarHBondContact NE2-ND2 2.75Å
89Y32.4Very low32Very low154 Ų154119.9 Ų119.960%0.60468%0.676SS**  cis-156.9179.4-4.5-112-39.9000111.5N335Y89-N335 HydrophobicContact CE1-CB 4.18Å
90S29.3Very low32Very low74 Ų74121 Ų12152%0.51768%0.681SS.*  trans-137.8-174.4177.665.30000111.4N335S90-N335 PolarHBondContact OG-ND2 2.87Å; S90-N335 PolarHBondContact OG-OD1 3.18Å
91S30.6Very low31.6Very low49 Ų49122 Ų12234%0.34368%0.681SS.*  cis-162179.328.4-46.90000113.6N334 N335S91-N334 WeakPolarHBondContact CB-OD1 3.45Å; S91-N334 PolarHBondContact OG-OD1 3.49Å; S91-N335 PolarHBondContact OG-ND2 2.92Å
92S32.1Very low31.7Very low81 Ų81121.8 Ų121.857%0.56668%0.675SS**  trans88.7161.4142.8-65.90000120.7
93P39.8Very low31.7Very low121 Ų121122.9 Ų122.979%0.78667%0.673SS**  trans-120.3173.6-150.443.8-34.4000116.9
94V34.1Very low31.7Very low145 Ų145122.9 Ų122.988%0.87967%0.673SS**  trans-165.3164.6151.21280000110.6
95T29.6Very low31.8Very low114 Ų114121.5 Ų121.570%0.69967%0.669SS**  trans-113.5153.2-171.252.60000115.4
96L29.3Very low31.7Very low152 Ų152121.2 Ų121.280%0.79667%0.666SS**  trans69.1150.6162.1-68.1154.6000115.5
97D28Very low31.5Very low125 Ų125121.4 Ų121.467%0.66866%0.661SS**  cis-155.4174.417-148.8-18.6000113.5
98Y29.8Very low31.3Very low196 Ų196126 Ų12677%0.76968%0.677SS**  trans77.6121.3167.5-85.5-96.7000122.9
99C31.1Very low31.2Very low99 Ų99127 Ų12767%0.66970%0.695SS**  trans61.1134.6148.1-71.40000120.9
100D30.7Very low31Very low133 Ų133127.1 Ų127.171%0.71171%0.706SS**  cis-148.9150.91.3-83-41.5000111.6
101N30.8Very low30.9Very low135 Ų135128.7 Ų128.772%0.72272%0.717SS**  trans48.7141.6149.6-62.1-1.3000121.7
102E33.4Very low30.8Very low140 Ų140134.3 Ų134.365%0.65474%0.742SS**  cis-167.3149.6-4.3-124.6-177.7-120.100110.4
103N32.7Very low30.8Very low124 Ų124135.8 Ų135.866%0.66375%0.748SS**  trans63154.3158-55.3-38.1000119.8
104T34.2Very low30.1Very low123 Ų123136.7 Ų136.776%0.75575%0.746SS**  cis-170.1158.8-24.130.50000107.7
105N32.1Very low29.7Very low146 Ų146140.2 Ų140.278%0.78175%0.745SS**  cis-162.1175.9-24.8-161.312.2000111.1
106M30.9Very low29.8Very low139 Ų139141.3 Ų141.369%0.68575%0.752SS**  trans-28.6145.3165.9-64.6-86.5-79.200118.7
107I28.6Very low29.8Very low127 Ų127140 Ų14065%0.65175%0.75SS**  86.8123.851.2-72.6179.4000115.7
108M26.7Very low30.1Very low172 Ų172138.9 Ų138.985%0.84775%0.75SS**  trans61.1135160.4-74.5170.6-17000122.7
109S29.4Very low30.1Very low119 Ų119134.7 Ų134.783%0.83275%0.745SS**  162.4155.1115-70.80000112.6
110N27.2Very low30Very low155 Ų155136.4 Ų136.483%0.82975%0.747SS**  trans-98.5152.3-172.8-77.9-22.7000114.8
111S27.5Very low29.9Very low108 Ų108135.2 Ų135.276%0.75575%0.749SS**  trans48.3115.8148.361.80000120
112L29Very low30Very low166 Ų166136 Ų13687%0.86975%0.752SS**  -166.1175.4118.3-106.7165.5000113.2
113T31.2Very low29.7Very low113 Ų113134.1 Ų134.169%0.69375%0.754SS**  trans-73.3138.6-165.547.20000117.2
114N26.4Very low29.7Very low139 Ų139135.5 Ų135.574%0.74376%0.761SS**  trans45.7144.7132.9-79.5-11.8000123.9
115Y24.9Very low29.2Very low219 Ų219135 Ų13586%0.85976%0.762SS**  trans80.9158.8157.4-74.3-65000120.2
116V31.1Very low29.2Very low138 Ų138135.4 Ų135.484%0.83676%0.759SS**  trans83.582.6174.2-1650000117
117T30.7Very low29.2Very low123 Ų123135.4 Ų135.476%0.75576%0.762SS**  trans-56.6170.1145.155.20000111.7
118P33.6Very low29.3Very low102 Ų102132.2 Ų132.266%0.66276%0.76SS**  cis-154.1-163.829.441.7-17.6000117.1
119T29.8Very low29.6Very low108 Ų108132.1 Ų132.166%0.66376%0.763SS**  trans58.7145.9150.155.30000120.9
120D29.1Very low29.8Very low135 Ų135129.8 Ų129.872%0.72276%0.758SS**  cis-164.2149.3-11.4-110.8-15.7000111.4
121S29Very low30.1Very low108 Ų108129.9 Ų129.976%0.75576%0.758SS**  trans63.3161.5159.777.90000116.2
122I33.2Very low30.2Very low152 Ų152132.6 Ų132.678%0.77976%0.764SS**  cis-127140.522.2-72.8174.6000112
123S26.4Very low30.3Very low100 Ų100128.2 Ų128.270%0.69976%0.759SS**  trans-68.1140.3168.453.80000112.8
124L31.9Very low30.5Very low153 Ų153132.3 Ų132.380%0.80176%0.762SS**  trans-168.195134.1-107.7161.9000112.4H126L124-H126 HydrophobicContact CD2-CB 4.44Å; L124-H126 PolarHBondContact O-N 3.31Å
125S24.5Very low30.7Very low112 Ų112134 Ų13478%0.78377%0.771SS**  trans-8492.516452.20000109.9
126H31.4Very low31.1Very low156 Ų156127.7 Ų127.772%0.72275%0.751SS**  trans-171.7145168.5-10650.9000108L124L124-H126 HydrophobicContact CD2-CB 4.44Å; L124-H126 PolarHBondContact O-N 3.31Å
127N30.8Very low31Very low139 Ų139128.5 Ų128.574%0.74375%0.75SS**  cis-159156.9-10.3-146-6.8000111.5
128G31.8Very low30.9Very low60 Ų60129.6 Ų129.662%0.61975%0.752SS**  trans82.4146.2169.300000116.7
129N31.8Very low30.7Very low169 Ų169132.4 Ų132.490%0.90476%0.759SS**  cis-162.2126.6-14.7-122.2-7.6000107.7
130G34.3Very low30.7Very low70 Ų70135.5 Ų135.572%0.72277%0.766SS**  trans-173.321.6-166.900000118.7
131N34.3Very low30.7Very low157 Ų157135.5 Ų135.584%0.8477%0.766SS**  trans50.974.1163.8-62.2-7.5000118.4G133N131-G133 PolarHBondContact O-N 3.24Å
132N29.2Very low30.9Very low165 Ų165136.1 Ų136.188%0.88277%0.765SS**  trans-76.595.4154.5-99.4-26.7000110.5
133G31.1Very low30.7Very low74 Ų74135.2 Ų135.276%0.76376%0.762SS**  trans-85.395.7164.600000110N131N131-G133 PolarHBondContact O-N 3.24Å
134R35.6Very low30.8Very low199 Ų199136.2 Ų136.275%0.75176%0.76SS**  52.376.675.9-82.3-175.5169.4-167.3-2.9113.8M136R134-M136 HydrophobicContact CB-CG 3.49Å; R134-M136 VanDerWaalsContact CB-CG 3.49Å; R134-M136 HydrophobicContact CB-SD 4.4Å; R134-M136 HydrophobicContact CG-CG 3.65Å; R134-M136 HydrophobicContact CG-SD 3.89Å; R134-M136 PolarHBondContact O-N 3.44Å
135N31.2Very low30.4Very low175 Ų175138.9 Ų138.994%0.93676%0.761SS**  trans-79.5104.4147.6-166.84.6000106.6
136M32.7Very low30.9Very low87 Ų87140.1 Ų140.143%0.42976%0.763SS.*  trans-110.1149.8-160.2-85.8-86.6-73.400113.8R134 N138R134-M136 HydrophobicContact CB-CG 3.49Å; R134-M136 VanDerWaalsContact CB-CG 3.49Å; R134-M136 HydrophobicContact CB-SD 4.4Å; R134-M136 HydrophobicContact CG-CG 3.65Å; R134-M136 HydrophobicContact CG-SD 3.89Å; R134-M136 PolarHBondContact O-N 3.44Å; M136-N138 VanDerWaalsContact C-N 3.31Å; M136-N138 PolarHBondContact O-N 2.71Å
137N29.3Very low30.8Very low154 Ų154138.6 Ų138.682%0.82476%0.761SS**  trans-62.596146.6-68.4-34.9000108.2I139N137-I139 PolarHBondContact O-N 2.91Å
138N28.3Very low30.9Very low147 Ų147138.1 Ų138.179%0.78676%0.758SS**  trans-76.389.9172.9-79.3-8.6000110M136M136-N138 VanDerWaalsContact C-N 3.31Å; M136-N138 PolarHBondContact O-N 2.71Å
139I29.6Very low31Very low160 Ų160142.3 Ų142.382%0.82176%0.761SS**  trans-128.897.5158-57.8-179.6000107.8N137N137-I139 PolarHBondContact O-N 2.91Å
140E29.4Very low31.1Very low173 Ų173140.9 Ų140.981%0.80875%0.749SS**  trans-167.3102.3155.1-122.5171.6-141.100109.7
141N28.2Very low31.1Very low136 Ų136144.5 Ų144.573%0.72775%0.747SS**  166.1165116.3-89.8-69.1000113.2
142T33.2Very low31.1Very low120 Ų120143.2 Ų143.274%0.73674%0.74SS**  trans65.978.1170.149.60000118.2
143N29Very low31.2Very low133 Ų133137.6 Ų137.671%0.71172%0.721SS**  62.5114112.6-64.637.6000121.4
144D28.4Very low31.3Very low121 Ų121140.3 Ų140.365%0.64772%0.718SS**  78117.7119.1-60.7-37.7000122.8
145Y25.1Very low31.3Very low210 Ų210139.4 Ų139.482%0.82472%0.72SS**  trans47.2115.7138.2-71.4-97.2000120.3
146V34.2Very low31.3Very low138 Ų138139.1 Ų139.184%0.83672%0.715SS**  -159.6113.9106.9139.60000112
147N30.3Very low31.1Very low124 Ų124141.6 Ų141.666%0.66373%0.73SS**  23.4150.6129.8-104.7-11.3000123.1
148N31.3Very low31Very low128 Ų128140.7 Ų140.768%0.68472%0.721SS**  trans78.3132.8144.4-71.7-20.3000118.6
149Q34.6Very low31Very low148 Ų148142.6 Ų142.669%0.69272%0.717SS**  cis-146.6158.15.9-69.9-158.5-48.300114.1
150H33.7Very low31.1Very low140 Ų140141.4 Ų141.465%0.64871%0.708SS**  trans45146.9141-59.7-38.2000121.7
151Q33.9Very low31.2Very low146 Ų146139 Ų13968%0.68270%0.7SS**  cis-172.4167.5-8.5-114178.5-77.600106.4
152D34.5Very low31.1Very low130 Ų130141.2 Ų141.270%0.69571%0.709SS**  cis-158.7-178.2-9.8-134.4-13000106.2
153G32.5Very low30.9Very low47 Ų47140.4 Ų140.449%0.48571%0.714SS.*  cis165.2151.8-3.400000112.4
154N32.5Very low30.8Very low130 Ų130141.9 Ų141.970%0.69572%0.721SS**  trans69.4147.4170.8-57.4-77.4000117
155K36.1Very low31.1Very low180 Ų180141.3 Ų141.378%0.78372%0.724SS**  cis-155.5173.9-6.7-124165.7-173.7168.70113.7
156M30.3Very low31.4Very low169 Ų169135.7 Ų135.783%0.83372%0.716SS**  trans-63.7146.2-168.6-61.6160.8177.400118.2
157N28Very low31.2Very low140 Ų140136.7 Ų136.775%0.74971%0.711SS**  26.6145.8125.2-67.522.1000124.3
158E28.8Very low31.3Very low135 Ų135136.6 Ų136.663%0.63171%0.71SS**  trans97.5126.6132.2-88.3176.3-107.600123.8
159R27.6Very low31.2Very low187 Ų187138.6 Ų138.671%0.70671%0.713SS**  trans80.7121.6135-78.6-177.7145106.5-0.7123.9
160E31Very low31Very low135 Ų135136.7 Ų136.763%0.63171%0.708SS**  85.6115.7124.3-72-179.6-148.100123.9
161N31.6Very low30.6Very low122 Ų122139.7 Ų139.765%0.65271%0.713SS**  81.9110.7124.2-67.7-28.7000123.9
162M26Very low30.4Very low182 Ų182139.4 Ų139.490%0.89772%0.722SS**  trans88156.4133.4-70.6-158.1-68.700122.7
163A29.8Very low30.1Very low103 Ų103138.8 Ų138.885%0.85172%0.722SS**  trans90.1116.5170.500000119.6
164L25.8Very low30Very low164 Ų164145.3 Ų145.386%0.85974%0.737SS**  trans-80.8173.3162.9-78.5167.5000109.9
165P36.5Very low29.9Very low109 Ų109147.9 Ų147.971%0.70874%0.742SS**  cis-153.1171.630.942.9-20.8000121.8
166S29.7Very low29.4Very low93 Ų93144.5 Ų144.565%0.6574%0.741SS**  trans80.1125.6138.961.60000124.7
167H31.5Very low29.3Very low159 Ų159141 Ų14174%0.73673%0.734SS**  trans74.3106.6145.7-73.9-56000123.9
168N30.8Very low29.4Very low121 Ų121142 Ų14265%0.64773%0.734SS**  57.1150.4112.2-62.46.4000121.4
169F30.3Very low29.3Very low170 Ų170143 Ų14375%0.74674%0.743SS**  cis-153.2152.99.5-134.4-60.7000112.3
170D29.2Very low29.5Very low108 Ų108141.9 Ų141.958%0.57875%0.747SS**  trans69.3110.5148.9-10413.1000124.8
171R27.3Very low29.2Very low204 Ų204142.5 Ų142.577%0.7776%0.755SS**  48115.2124.8-62.6173-159-129.9-4.4121.2
172T28.5Very low29.1Very low139 Ų139144.3 Ų144.385%0.85377%0.765SS**  161.1149.1106.942.30000109.6
173V28.7Very low29.3Very low118 Ų118143.5 Ų143.572%0.71576%0.762SS**  cis-156.6172.26.889.70000111.3
174K30.4Very low29.3Very low183 Ų183147.4 Ų147.480%0.79677%0.765SS**  trans84.6123160.9-90.7157.9-170.5168.60120.6
175K30.4Very low29.5Very low185 Ų185145.4 Ų145.480%0.80476%0.76SS**  trans97.3103.6136.9-78.6-173.1171.8-168.10120.9
176S25.8Very low29Very low108 Ų108147 Ų14776%0.75576%0.762SS**  74.5136.7128.155.50000122.1
177S27.2Very low28.9Very low97 Ų97148.4 Ų148.468%0.67877%0.767SS**  trans88.3134.6161.2-91.10000120.6
178E29.9Very low28.7Very low161 Ų161146 Ų14675%0.75276%0.764SS**  trans69.8102.6142.3-76.9138.9-112.100122.9
179L27.9Very low28.6Very low155 Ų155151 Ų15181%0.81277%0.774SS**  91.3150.4109-143.275.7000120.1
180M30.9Very low28.3Very low163 Ų163147.1 Ų147.180%0.80377%0.773SS**  trans71.181.3166.6-56.9-53.3-121.900119.1
181D24.8Very low28.3Very low149 Ų149146.8 Ų146.880%0.79778%0.779SS**  -83.9139.9129.8-83.2-52.2000109.3
182N29.2Very low28.4Very low159 Ų159144.2 Ų144.285%0.8578%0.78SS**  trans144.881150.2-80.1-36.4000114.3
183I31Very low28.6Very low165 Ų165142.6 Ų142.685%0.84677%0.77SS**  trans-144108.4142.3-53.9-179000109.1
184M29.6Very low28.8Very low186 Ų186144.5 Ų144.592%0.91677%0.771SS**  -175.3126.8117-98.9-165.1-170.500111.7
185T30.5Very low28.7Very low121 Ų121142.3 Ų142.374%0.74277%0.769SS**  trans-91.8137.1168.5460000111.5
186N25.5Very low28.8Very low142 Ų142139.6 Ų139.676%0.75976%0.763SS**  trans74.6151.6142.2-62.8-15.6000122
187T28.5Very low29.1Very low123 Ų123142.1 Ų142.176%0.75576%0.763SS**  trans75.5107.6146.635.20000121.3
188V26.3Very low29.3Very low110 Ų110145 Ų14567%0.66777%0.77SS**  48113.4115.3179.80000115.7
189R28.1Very low29.1Very low226 Ų226146.9 Ų146.985%0.85377%0.771SS**  -166.7155.279.5-165.5162.9-79.5105.1-3.1112.1
190A25.1Very low29.1Very low88 Ų88146.1 Ų146.173%0.72776%0.763SS**  trans-78.5152.3173.100000112.7
191S29.6Very low29.2Very low100 Ų100145.2 Ų145.270%0.69976%0.757SS**  trans-180116.8140.2-79.60000112.3
192N28.1Very low29.4Very low150 Ų150144.3 Ų144.380%0.80275%0.752SS**  trans65.2162.6144.7-51.3-14.8000118
193T33.1Very low29.6Very low106 Ų106142.2 Ų142.265%0.6574%0.741SS**  cis-147154.77.4-20.50000110.8
194E32.9Very low29.6Very low157 Ų157141.1 Ų141.173%0.73473%0.732SS**  trans47120148.5-74.4151.3-161.900121.3
195N28.2Very low29.7Very low138 Ų138139.8 Ų139.874%0.73872%0.724SS**  cis95.2150.249.1-79-28.2000114.7
196N31.8Very low29.8Very low128 Ų128140.6 Ų140.668%0.68472%0.723SS**  trans77.2143.3160.1-62.3-35.6000117.6
197Q32.6Very low30.2Very low160 Ų160141 Ų14175%0.74872%0.724SS**  cis-160-179.50.2-124.2157.724.200112.6
198L30.9Very low30.2Very low159 Ų159141.7 Ų141.783%0.83272%0.723SS**  trans73.8101.6176.5-58.2166.3000113.3
199Y25.9Very low30.3Very low200 Ų200142.3 Ų142.378%0.78473%0.727SS**  cis61.7132.435.1-96.7-114.1000111.6
200E28.7Very low30.5Very low138 Ų138140.7 Ų140.765%0.64573%0.726SS**  cis-169.6170.513.1-172.3-170.6-118.900111.2
201Q33Very low30.7Very low145 Ų145143.5 Ų143.568%0.67873%0.728SS**  trans133120.3133.5-71.9-171.72.600120.8
202L29Very low30.7Very low129 Ų129146.2 Ų146.268%0.67573%0.732SS**  trans61.4129.3138-54.8169.8000118.3
203N32.3Very low30.6Very low116 Ų116145.7 Ų145.762%0.6273%0.73SS**  cis-154.6145.624.1-106.9-5.8000110.8
204Q32.6Very low30.4Very low142 Ų142146.8 Ų146.866%0.66473%0.731SS**  61.6137.480.6-63.3179.94.300114.8
205Q31.9Very low30.3Very low158 Ų158145.5 Ų145.574%0.73873%0.729SS**  cis-169-172.5-11.2-126.5171.8-13.700109.9
206N32.5Very low30.5Very low138 Ų138146.4 Ų146.474%0.73873%0.734SS**  trans86.1140.4172.4-58-31.6000117
207I33.4Very low30.2Very low151 Ų151145.9 Ų145.977%0.77474%0.739SS**  cis-150.3161.5-0.7-119.1161.1000112
208D27.4Very low30.1Very low136 Ų136145.1 Ų145.173%0.72774%0.739SS**  trans-130.3160.1-162.2-61.5-96.6000113.2
209T28.7Very low29.8Very low123 Ų123142.3 Ų142.376%0.75573%0.732SS**  cis-161.8159.2-22.427.40000108.5
210K33.1Very low30Very low193 Ų193140.1 Ų140.184%0.83973%0.734SS**  trans-165.8103.7160.8-109.9159.8-174.4-179.60110.2
211I28.9Very low29.9Very low147 Ų147141.7 Ų141.775%0.75474%0.741SS**  102135.279-87.8178.1000111.5
212I29.8Very low30.1Very low156 Ų156139.5 Ų139.580%0.874%0.739SS**  trans81.584.4176.8-64.2157.6000117.8
213N26.7Very low30Very low140 Ų140140.3 Ų140.375%0.74974%0.744SS**  75.1133.5112.4-129.615.4000124.3
214L28.9Very low29.8Very low128 Ų128141.6 Ų141.667%0.6775%0.748SS**  trans71.1113.5154-68.7158.6000121.9
215N30.2Very low29.4Very low130 Ų130144.8 Ų144.870%0.69576%0.756SS**  trans6591.1137.6-57.6-3000120.8
216N31.8Very low29.2Very low157 Ų157142.6 Ų142.684%0.8475%0.753SS**  -178.9135.491.1-93.2-18.6000114.4
217C26.4Very low28.9Very low118 Ų118143.8 Ų143.880%0.79775%0.754SS**  trans-149.8150.9171.4-84.40000106.6
218L29.2Very low28.6Very low143 Ų143145.6 Ų145.675%0.74976%0.757SS**  cis-164.41422.7-114.9163.5000107.7
219C25.9Very low28.6Very low101 Ų101146.9 Ų146.968%0.68276%0.762SS**  trans55.1154.7148.8-76.30000121.1
220N30.1Very low28.5Very low154 Ų154148 Ų14882%0.82476%0.763SS**  cis-149.5168.314.7-105.7-27.8000112.3
221Q26.2Very low28.2Very low170 Ų170143.3 Ų143.379%0.79476%0.755SS**  trans-92.2-169.5166.7-69.8-83.3-22.400110.2
222P37.6Very low28Very low99 Ų99143.3 Ų143.364%0.64376%0.756SS**  cis-137.7179.1-6.723.72.5000116.6
223D27.4Very low28.1Very low146 Ų146147.1 Ų147.178%0.78176%0.762SS**  trans54.1163.1143.2-62.8-14.8000124.8
224M26.1Very low28.2Very low143 Ų143144.3 Ų144.370%0.70475%0.753SS**  cis-171.2123-45.3-156.1-170.649.300112.6
225Y25.3Very low28.1Very low209 Ų209146.3 Ų146.382%0.8276%0.759SS**  trans62.5165.7166.5-75.7-62.5000118.4
226V27Very low28.1Very low112 Ų112146 Ų14668%0.67976%0.762SS**  cis-156.5157.69.296.30000114.6
227E26.1Very low28Very low164 Ų164143.1 Ų143.177%0.76675%0.754SS**  trans48.4117.7156.9-71.8171.5140.900128.1
228K27.8Very low28.1Very low189 Ų189142 Ų14282%0.82275%0.748SS**  25.6139.3123.8-65.5-179.9175.1177.80123.4
229I28Very low28.1Very low163 Ų163140.2 Ų140.284%0.83675%0.747SS**  -168.8162.2106.8-98.1162.9000112.4
230N26.7Very low28.3Very low147 Ų147142.3 Ų142.379%0.78675%0.751SS**  trans-61.8176.2-173.2-43.8-20.1000114.7
231S25.5Very low28.1Very low94 Ų94139.5 Ų139.566%0.65774%0.742SS**  cis-165.5159.323.456.90000115.3
232N25.4Very low28Very low147 Ų147137.5 Ų137.579%0.78674%0.737SS**  trans61.6112.9154.1-59.7-0.6000120.3
233Y31.8Very low27.7Very low236 Ų236140.9 Ų140.993%0.92574%0.742SS**  -158.1-175.8119.5-119.6-81.1000110.2
234S29.5Very low27.8Very low80 Ų80142 Ų14256%0.55974%0.742SS**  trans-107.4146-151.853.60000117.1
235E27Very low27.7Very low171 Ų171140.9 Ų140.980%0.79975%0.747SS**  trans71.4154.3136.3-73.5175.9169.900123.5
236T30Very low27.8Very low122 Ų122137 Ų13775%0.74875%0.746SS**  trans71.494.6154.742.30000121.6
237S29.2Very low28Very low98 Ų98140.6 Ų140.669%0.68576%0.755SS**  69114.8115.769.10000122.5
238S28.5Very low28Very low95 Ų95140.9 Ų140.966%0.66476%0.758SS**  66.2115126.866.90000122.3
239S29Very low28.2Very low104 Ų104137.4 Ų137.473%0.72776%0.755SS**  76.8159.2124.181.50000118.7
240L29.5Very low28.2Very low146 Ų146137.2 Ų137.276%0.76475%0.75SS**  cis-157.41492.5-158.783.2000109.7
241C25.8Very low28.3Very low94 Ų94136.5 Ų136.564%0.63575%0.745SS**  trans56.4167.1156.8-71.20000118.5
242D24.9Very low28.6Very low128 Ų128137.6 Ų137.668%0.68475%0.753SS**  cis-160.6166.7-29.5-100.6-19.5000107.4
243F30.9Very low28.7Very low170 Ų170137 Ų13775%0.74675%0.75SS**  172.9113114.5-110-101.4000114.6
244Q30.2Very low28.6Very low170 Ų170134.6 Ų134.679%0.79475%0.747SS**  trans65.2153.7144.6-70.9-178.6-20.400122.1
245C23.1Very low28.6Very low120 Ų120138.3 Ų138.381%0.81176%0.76SS**  trans-119.7164.2-169.1-45.60000111
246T27.8Very low28.8Very low127 Ų127136.3 Ų136.378%0.77975%0.754SS**  trans-160.2136.3143.32.80000112.4
247E30.4Very low28.8Very low187 Ų187137.2 Ų137.287%0.87475%0.749SS**  trans60126149.7-68.7166.3-172.300122.1
248M26.7Very low28.9Very low171 Ų171140.8 Ų140.884%0.84275%0.753SS**  trans-100.9169159.5-60.5-15872.800110
249P32.4Very low29.2Very low115 Ų115140.2 Ų140.275%0.74775%0.745SS**  -150.7139.988.336.8-17.5000118.1
250E28.5Very low29.2Very low159 Ų159141 Ų14174%0.74374%0.738SS**  69.2144.9129.4-66.9-162.9145.100126.7
251I28.8Very low29.4Very low132 Ų132140.3 Ų140.368%0.67773%0.728SS**  trans68.1101.2154.9-60.5149.3000118.7
252S30.6Very low30.1Very low118 Ų118140.7 Ų140.783%0.82572%0.723SS**  -154.5134.495.4-169.50000112.3
253N27.5Very low30.4Very low135 Ų135143.5 Ų143.572%0.72273%0.726SS**  trans-90123.7-167.3-57.5-39.7000111.9
254H30.4Very low30.5Very low184 Ų184141.8 Ų141.885%0.85272%0.72SS**SBendtrans-162.9-4.6147.9-131.5-62.6000117
255L30.3Very low30.7Very low159 Ų159140.3 Ų140.383%0.83271%0.712SS**SBendtrans-115.65.5-174.1-102.2165.2000115.2
256L29.5Very low31.4Very low129 Ų129141.3 Ų141.368%0.67571%0.705SS**SBendtrans-112.636.9-178.6-155.376.2000113.1
257E30Very low31.8Very low140 Ų140139.7 Ų139.765%0.65469%0.689SS**SBendtrans-1261.3175-139.1-156136.500114.2K261E257-K261 IonicContact OE1-NZ 3.14Å; E257-K261 PolarHBondContact OE1-NZ 2.81Å; E257-K261 VanDerWaalsContact OE1-NZ 3.14Å
258F33.1Very low31.9Very low174 Ų174135.8 Ų135.876%0.76367%0.674SS**SBendtrans-115.1-19.4-178-137-89000113.6
259T33.3Very low32.5Very low82 Ų82133.6 Ų133.650%0.50366%0.661SS.*SBendtrans-87.5-40.8-177.736.60000113.2K261 I262 Y263T259-K261 PolarHBondContact O-N 3.48Å; T259-I262 PolarHBondContact O-N 2.78Å; T259-Y263 PolarHBondContact O-N 3.48Å
260E30.1Very low32.5Very low122 Ų122135.7 Ų135.757%0.5766%0.659SS**Hα-helixtrans-68.8-33.6-177.2-62.1-168.8141.800113.2I262 Y263 H264E260-I262 VanDerWaalsContact C-N 3.26Å; E260-I262 PolarHBondContact O-N 2.66Å; E260-Y263 PolarHBondContact O-N 3.38Å; E260-H264 PolarHBondContact O-N 2.72Å
261K33.2Very low32.7Very low130 Ų130132.1 Ų132.157%0.56565%0.645SS**Hα-helixtrans-62.2-31175.5-76.4169.5-176.1144.90112.6E257 T259 Q265E257-K261 IonicContact OE1-NZ 3.14Å; E257-K261 PolarHBondContact OE1-NZ 2.81Å; E257-K261 VanDerWaalsContact OE1-NZ 3.14Å; T259-K261 PolarHBondContact O-N 3.48Å; K261-Q265 VanDerWaalsContact O-CB 3.27Å; K261-Q265 WeakPolarHBondContact O-CB 3.44Å
262I40.5Very low33Very low103 Ų103130.9 Ų130.953%0.52864%0.64SS.*Hα-helixtrans-77.9-38.9178.1-62.4176.8000111T259 E260 H266T259-I262 PolarHBondContact O-N 2.78Å; E260-I262 VanDerWaalsContact C-N 3.26Å; E260-I262 PolarHBondContact O-N 2.66Å; I262-H266 PolarHBondContact O-N 3.45Å
263Y31.9Very low33.1Very low187 Ų187132.9 Ų132.973%0.73363%0.633SS**Hα-helixtrans-69.2-45.4-176.4-144.8-99.5000112.3T259 E260 Q265 H267T259-Y263 PolarHBondContact O-N 3.48Å; E260-Y263 PolarHBondContact O-N 3.38Å; Y263-Q265 PolarHBondContact O-N 3.27Å; Y263-H267 PolarHBondContact O-N 3.32Å
264H31.5Very low33.5Very low134 Ų134130 Ų13062%0.6262%0.621SS**Hα-helixtrans-71.1-28.1178.1-92.3-69.4000114.2E260E260-H264 PolarHBondContact O-N 2.72Å
265Q36.3Very low33.5Very low138 Ų138127 Ų12765%0.64561%0.611SS**Hα-helixtrans-76.7-27.5-177.5-163.5166.323.600113K261 Y263K261-Q265 VanDerWaalsContact O-CB 3.27Å; K261-Q265 WeakPolarHBondContact O-CB 3.44Å; Y263-Q265 PolarHBondContact O-N 3.27Å
266H36.4Very low33.6Very low141 Ų141127.9 Ų127.965%0.65360%0.604SS**Hα-helixtrans-84.8-33176.1-100.6-85.1000114.2I262I262-H266 PolarHBondContact O-N 3.45Å
267H36.4Very low33.6Very low94 Ų94132 Ų13244%0.43561%0.612SS.*Hα-helixtrans-72.4-32.3-174.6-149.8-46.6000113.3Y263Y263-H267 PolarHBondContact O-N 3.32Å
268N33.3Very low33.5Very low105 Ų105130.2 Ų130.256%0.56161%0.614SS**Hα-helixtrans-75.3-29.7-179.1-73.4-10000113.3F270N268-F270 PolarHBondContact O-N 3.28Å
269Q37.7Very low33.2Very low125 Ų125129.1 Ų129.158%0.58462%0.615SS**Hα-helixtrans-68.2-15.2176.4-77.2-162.6-7.100114.2
270F33.8Very low33Very low159 Ų159133 Ų13370%0.69763%0.633SS**Hα-helixtrans-84.8-44.6-179.1-135.1-91.4000112.2N268 K273 T274N268-F270 PolarHBondContact O-N 3.28Å; F270-K273 PolarHBondContact O-N 3.2Å; F270-T274 PolarHBondContact O-OG1 3.19Å
271N32.6Very low33.1Very low84 Ų84136.4 Ų136.445%0.44965%0.649SS.*Hα-helixtrans-70.2-32.6179.6-77.4-9.1000113.3K273 T274 N275N271-K273 PolarHBondContact O-N 3.16Å; N271-T274 PolarHBondContact O-N 3.39Å; N271-T274 PolarHBondContact O-OG1 2.83Å; N271-N275 PolarHBondContact O-N 3.32Å; N271-N275 VanDerWaalsContact O-N 3.07Å
272D33.9Very low33Very low105 Ų105137.6 Ų137.656%0.56166%0.662SS**Hα-helixtrans-67.6-13.3178-102.7-1.7000114.3R276D272-R276 PolarHBondContact O-NE 3.07Å
273K34.1Very low32.5Very low160 Ų160140.8 Ų140.870%0.69668%0.678SS**Hα-helixtrans-100.3-26.2176.5-75.6-179.6175.9173.50113.7F270 N271F270-K273 PolarHBondContact O-N 3.2Å; N271-K273 PolarHBondContact O-N 3.16Å
274T35.1Very low32.3Very low75 Ų75139.4 Ų139.446%0.4668%0.678SS.*Hα-helixtrans-80.6-41.1172.842.20000112.1F270 N271 R276 Y277F270-T274 PolarHBondContact O-OG1 3.19Å; N271-T274 PolarHBondContact O-N 3.39Å; N271-T274 PolarHBondContact O-OG1 2.83Å; T274-R276 PolarHBondContact O-N 3.37Å; T274-R276 VanDerWaalsContact O-N 3.12Å; T274-Y277 PolarHBondContact O-N 2.68Å; T274-Y277 VanDerWaalsContact O-N 3.17Å
275N30.6Very low32.1Very low121 Ų121140 Ų14065%0.64768%0.681SS**THydrogen-bonded Turntrans-72.8-2.8-176.1-80-17000115.7N271N271-N275 PolarHBondContact O-N 3.32Å; N271-N275 VanDerWaalsContact O-N 3.07Å
276R32.6Very low31.5Very low178 Ų178139.9 Ų139.967%0.67269%0.685SS**THydrogen-bonded Turntrans-89.6-7.6170.8-62.1-171.8-163-165.82114.3D272 T274D272-R276 PolarHBondContact O-NE 3.07Å; T274-R276 PolarHBondContact O-N 3.37Å; T274-R276 VanDerWaalsContact O-N 3.12Å
277Y29.9Very low31Very low215 Ų215144.8 Ų144.884%0.84370%0.698SS**SBendtrans-105.1-1.7178.5-97-83.4000114.5T274T274-Y277 PolarHBondContact O-N 2.68Å; T274-Y277 VanDerWaalsContact O-N 3.17Å
278C27.7Very low30.5Very low103 Ų103144 Ų14470%0.69670%0.703SS**SBendtrans-117.743.4-176.5-65.40000113.2
279N27.4Very low30.3Very low150 Ų150145.9 Ų145.980%0.80271%0.711SS**SBendtrans-150.566.9168.5-122.9-11.9000113.2
280N28.8Very low29.7Very low164 Ų164147.7 Ų147.788%0.87772%0.724SS**  trans-163.287.6158.8-105.1-28.2000109.6N282N280-N282 PolarHBondContact O-N 3.14Å; N280-N282 VanDerWaalsContact O-N 3.1Å
281Q32.5Very low29.4Very low193 Ų193146.9 Ų146.990%0.90273%0.727SS**  trans-80.285.3172.1-75.3-164.60.800110.8
282N29.4Very low29.2Very low155 Ų155149.1 Ų149.183%0.82974%0.744SS**  trans-17898.5137.7-97.4-35.8000111.6N280N280-N282 PolarHBondContact O-N 3.14Å; N280-N282 VanDerWaalsContact O-N 3.1Å
283I30.1Very low29.1Very low171 Ų171153.3 Ų153.388%0.87776%0.762SS**  -165.8145.6115.4-97.3157.2000108.5
284Q27.4Very low29Very low157 Ų157150.8 Ų150.873%0.73476%0.763SS**  trans-79.8152.2-177-86.5178-88.300113.4
285H27.8Very low28.9Very low146 Ų146155 Ų15568%0.67678%0.782SS**  trans43.5102.5153.7-54-55.9000118.7
286D24Very low29Very low136 Ų136152.8 Ų152.873%0.72779%0.788SS**  -132.1109.5102-156.8-31.1000109S288D286-S288 WeakPolarHBondContact OD1-CB 3.3Å; D286-S288 PolarHBondContact OD1-OG 3.44Å
287W26Very low29.1Very low245 Ų245150.3 Ų150.393%0.92879%0.793SS**  trans-109.971.8177.5-101.763.9000108.4
288S25.2Very low29.5Very low78 Ų78145.3 Ų145.355%0.54578%0.781SS.*  trans-132147.1177.361.10000111.2D286D286-S288 WeakPolarHBondContact OD1-CB 3.3Å; D286-S288 PolarHBondContact OD1-OG 3.44Å
289I29.2Very low30.1Very low144 Ų144149.3 Ų149.374%0.73878%0.782SS**  trans62.152.2176.2-32.7-178.9000115.7N291I289-N291 PolarHBondContact O-N 2.95Å
290L26.6Very low30.8Very low163 Ų163147.5 Ų147.585%0.85377%0.769SS**  trans-92.951148-147.2170000109.7
291N25.8Very low32Very low141 Ų141145.7 Ų145.775%0.75475%0.754SS**  trans-139.184.4-177-90.4-22.3000109.7I289I289-N291 PolarHBondContact O-N 2.95Å
292T29.6Very low32.7Very low131 Ų131140.4 Ų140.480%0.80473%0.734SS**  trans-172.253.9161.111.80000112.5
293M31.7Very low33.9Very low193 Ų193137.2 Ų137.295%0.95171%0.713SS**  trans-121100.5161.1-76.4-158.8172.900109.8
294P30.8Very low35Very low108 Ų108132.2 Ų132.270%0.70169%0.694SS**  trans-80.4148.9-178.832.1-34.2000112.1
295N34Very low36.2Very low163 Ų163128.3 Ų128.387%0.87268%0.675SS**SBendtrans68.8103.2173.5-54.7-6.5000114.7
296G33.6Very low37.1Very low74 Ų74127.2 Ų127.276%0.76367%0.672SS**  trans-89.3138.2-179.900000114.3
297T33.5Very low38.2Very low126 Ų126124.9 Ų124.977%0.77366%0.66SS**SBendtrans-143-28.8152.125.60000111.5
298D38.9Very low39.3Very low111 Ų111117.4 Ų117.459%0.59464%0.637SS**SBendtrans-86.8-5.5-171.6-57-49.8000115.7E300 F301 V302D298-E300 PolarHBondContact O-N 3.16Å; D298-F301 WeakPolarHBondContact O-CB 3.36Å; D298-F301 PolarHBondContact O-N 2.98Å; D298-V302 PolarHBondContact O-N 3.32Å
299Y39.1Very low39.8Very low186 Ų186118.6 Ų118.673%0.72964%0.635SS**Hα-helixtrans-63.7-39.2-176.8-163.6-96.9000112.4F301 K303Y299-F301 VanDerWaalsContact C-N 3.35Å; Y299-K303 HydrophobicContact CE1-CD 4.44Å; Y299-K303 WeakPolarHBondContact O-CB 3.1Å; Y299-K303 PolarHBondContact O-N 2.87Å
300E42.6Very low40.5Very low112 Ų112118.8 Ų118.852%0.52363%0.631SS.*Hα-helixtrans-72.3-25.1172.2-73.8-58.8148.500112.9D298 K303 S304D298-E300 PolarHBondContact O-N 3.16Å; E300-K303 IonicContact OE1-NZ 3.17Å; E300-K303 PolarHBondContact OE1-NZ 3.31Å; E300-K303 IonicContact OE2-NZ 2.91Å; E300-K303 PolarHBondContact OE2-NZ 3.4Å; E300-S304 WeakPolarHBondContact O-CA 3.22Å; E300-S304 WeakPolarHBondContact O-CB 3.28Å; E300-S304 PolarHBondContact O-N 3.06Å
301F53.5Low41Very low127 Ų127114.1 Ų114.156%0.55761%0.612SS**Hα-helixtrans-69.4-47.1172.2-179.7-100.9000111.1D298 Y299 K303 S304 Q305D298-F301 WeakPolarHBondContact O-CB 3.36Å; D298-F301 PolarHBondContact O-N 2.98Å; Y299-F301 VanDerWaalsContact C-N 3.35Å; F301-K303 PolarHBondContact O-N 3.04Å; F301-S304 WeakPolarHBondContact O-CB 3.46Å; F301-S304 PolarHBondContact O-N 3.49Å; F301-Q305 HydrophobicContact CD1-CG 4.45Å; F301-Q305 HydrophobicContact CE1-CG 4.05Å; F301-Q305 HydrophobicContact CE2-CG 4.34Å; F301-Q305 HydrophobicContact CZ-CG 3.99Å; F301-Q305 WeakPolarHBondContact O-CG 3.37Å; F301-Q305 PolarHBondContact O-N 2.8Å
302V47.2Very low41.5Very low81 Ų81112.3 Ų112.349%0.49161%0.606SS.*Hα-helixtrans-63.6-41.7176.4176.30000111.2D298 Q305 M306D298-V302 PolarHBondContact O-N 3.32Å; V302-Q305 PolarHBondContact O-N 2.99Å; V302-M306 PolarHBondContact O-N 2.85Å
303K54.6Low41.8Very low88 Ų88114.3 Ų114.338%0.38361%0.606SS.*Hα-helixtrans-66.6-37.2175.1178.7168.9161.1-109.50112.5Y299 E300 F301 M306 N307Y299-K303 HydrophobicContact CE1-CD 4.44Å; Y299-K303 WeakPolarHBondContact O-CB 3.1Å; Y299-K303 PolarHBondContact O-N 2.87Å; E300-K303 IonicContact OE1-NZ 3.17Å; E300-K303 PolarHBondContact OE1-NZ 3.31Å; E300-K303 IonicContact OE2-NZ 2.91Å; E300-K303 PolarHBondContact OE2-NZ 3.4Å; F301-K303 PolarHBondContact O-N 3.04Å; K303-M306 PolarHBondContact O-N 2.88Å; K303-N307 WeakPolarHBondContact O-CB 3.46Å; K303-N307 VanDerWaalsContact O-CG 3.29Å; K303-N307 PolarHBondContact O-N 3.44Å; K303-N307 PolarHBondContact O-ND2 3.21Å
304S54.2Low41.8Very low67 Ų67112.8 Ų112.847%0.46960%0.597SS.*Hα-helixtrans-62.9-46.6171.6178.10000111.2E300 F301 N307 L308E300-S304 WeakPolarHBondContact O-CA 3.22Å; E300-S304 WeakPolarHBondContact O-CB 3.28Å; E300-S304 PolarHBondContact O-N 3.06Å; F301-S304 WeakPolarHBondContact O-CB 3.46Å; F301-S304 PolarHBondContact O-N 3.49Å; S304-N307 PolarHBondContact O-N 3.02Å; S304-L308 WeakPolarHBondContact O-CB 3.29Å; S304-L308 PolarHBondContact O-N 2.87Å
305Q53.5Low41.7Very low75 Ų75114.6 Ų114.635%0.3560%0.6SS.*Hα-helixtrans-65.5-38.1176.7-68.4-64.6-22.100112.9F301 V302 L308 M309F301-Q305 HydrophobicContact CD1-CG 4.45Å; F301-Q305 HydrophobicContact CE1-CG 4.05Å; F301-Q305 HydrophobicContact CE2-CG 4.34Å; F301-Q305 HydrophobicContact CZ-CG 3.99Å; F301-Q305 WeakPolarHBondContact O-CG 3.37Å; F301-Q305 PolarHBondContact O-N 2.8Å; V302-Q305 PolarHBondContact O-N 2.99Å; Q305-L308 PolarHBondContact O-N 2.73Å; Q305-M309 PolarHBondContact O-N 3.37Å
306M46.1Very low41.5Very low122 Ų122115.1 Ų115.160%0.60160%0.603SS**Hα-helixtrans-64.7-39.1172.1-84.4-169.6161.400112.8V302 K303 K310V302-M306 PolarHBondContact O-N 2.85Å; K303-M306 PolarHBondContact O-N 2.88Å; M306-K310 PolarHBondContact O-N 2.82Å; M306-K310 VanDerWaalsContact O-N 3.13Å
307N46.3Very low41.3Very low88 Ų88116.6 Ų116.647%0.47160%0.602SS.*Hα-helixtrans-72.8-33175.9-73.3-18.2000112K303 S304 K310 S311K303-N307 WeakPolarHBondContact O-CB 3.46Å; K303-N307 VanDerWaalsContact O-CG 3.29Å; K303-N307 PolarHBondContact O-N 3.44Å; K303-N307 PolarHBondContact O-ND2 3.21Å; S304-N307 PolarHBondContact O-N 3.02Å; N307-K310 PolarHBondContact O-N 3.34Å; N307-S311 PolarHBondContact O-N 3.2Å
308L49.1Very low41.2Very low88 Ų88117.9 Ų117.946%0.46160%0.604SS.*Hα-helixtrans-62.4-48.7172.9-168.466.3000110.2S304 Q305 K310 S311 T312S304-L308 WeakPolarHBondContact O-CB 3.29Å; S304-L308 PolarHBondContact O-N 2.87Å; Q305-L308 PolarHBondContact O-N 2.73Å; L308-K310 VanDerWaalsContact C-N 3.27Å; L308-K310 PolarHBondContact O-N 3.07Å; L308-S311 WeakPolarHBondContact CA-OG 3.23Å; L308-S311 PolarHBondContact O-N 3.35Å; L308-S311 PolarHBondContact O-OG 3.38Å; L308-T312 PolarHBondContact O-N 3.45Å; L308-T312 PolarHBondContact O-OG1 3.08Å
309M37.1Very low40.7Very low102 Ų102123.3 Ų123.350%0.50262%0.618SS.*Hα-helixtrans-61.2-28.7174.4-85.8-174.2-83.100114.1Q305 T312Q305-M309 PolarHBondContact O-N 3.37Å; M309-T312 WeakPolarHBondContact CA-OG1 3.35Å; M309-T312 PolarHBondContact O-OG1 3.02Å; M309-T312 VanDerWaalsContact O-OG1 3.08Å
310K43.3Very low40.1Very low148 Ų148122 Ų12264%0.64362%0.618SS**Hα-helixtrans-70.3-47.2168.8-75.6-178.5173.9-175.80111.7M306 N307 L308 T312 H313M306-K310 PolarHBondContact O-N 2.82Å; M306-K310 VanDerWaalsContact O-N 3.13Å; N307-K310 PolarHBondContact O-N 3.34Å; L308-K310 VanDerWaalsContact C-N 3.27Å; L308-K310 PolarHBondContact O-N 3.07Å; K310-T312 VanDerWaalsContact C-N 3.25Å; K310-T312 PolarHBondContact O-N 2.99Å; K310-H313 PolarHBondContact O-N 3.16Å; K310-H313 VanDerWaalsContact O-N 3.15Å
311S37.3Very low39.5Very low65 Ų65122.6 Ų122.646%0.45563%0.625SS.*Hα-helixtrans-63.2-28.6-178.670.50000113.8N307 L308 H313N307-S311 PolarHBondContact O-N 3.2Å; L308-S311 WeakPolarHBondContact CA-OG 3.23Å; L308-S311 PolarHBondContact O-N 3.35Å; L308-S311 PolarHBondContact O-OG 3.38Å; S311-H313 PolarHBondContact O-N 3.44Å
312T36.9Very low38.4Very low104 Ų104126.9 Ų126.964%0.63864%0.639SS**THydrogen-bonded Turntrans-75.7-1177.848.40000114.5L308 M309 K310L308-T312 PolarHBondContact O-N 3.45Å; L308-T312 PolarHBondContact O-OG1 3.08Å; M309-T312 WeakPolarHBondContact CA-OG1 3.35Å; M309-T312 PolarHBondContact O-OG1 3.02Å; M309-T312 VanDerWaalsContact O-OG1 3.08Å; K310-T312 VanDerWaalsContact C-N 3.25Å; K310-T312 PolarHBondContact O-N 2.99Å
313H34.3Very low37.3Very low172 Ų172127.8 Ų127.880%0.79665%0.649SS**THydrogen-bonded Turntrans-114.1-2.7177.8-112.2-66000115K310 S311K310-H313 PolarHBondContact O-N 3.16Å; K310-H313 VanDerWaalsContact O-N 3.15Å; S311-H313 PolarHBondContact O-N 3.44Å
314E31.2Very low36.4Very low162 Ų162128.8 Ų128.876%0.75766%0.664SS**SBendtrans-118.551.6-178-66.6-173.2151.600112.4
315N29.3Very low35.1Very low146 Ų146136 Ų13678%0.78168%0.683SS**  trans-155.163.8169.3-101.8-50.4000112.9
316N29.7Very low33.8Very low174 Ų174141.1 Ų141.193%0.9370%0.704SS**  trans-15857.5160.9-120.3-22.1000111.6
317S30.2Very low32.9Very low105 Ų105139.9 Ų139.973%0.73471%0.708SS**  trans-100107.6179.455.60000111.4
318N30.1Very low32Very low153 Ų153144.9 Ų144.982%0.81872%0.721SS**  trans-152.279.8165.2-101.9-29.6000110.7
319Y28.6Very low30.8Very low225 Ų225147.1 Ų147.188%0.88273%0.731SS**  -160.9139.8111.9-112.9-73.9000110.5
320E27.2Very low30.4Very low157 Ų157148.3 Ų148.373%0.73474%0.739SS**  trans-81.8161.6-172.5-57.1158.211500112.2
321N30.1Very low29.6Very low125 Ų125146.5 Ų146.567%0.66874%0.737SS**  175.6108116.3-95.1-66.5000113.5
322Y29.2Very low29.1Very low218 Ų218148.7 Ų148.786%0.85574%0.743SS**  trans56.1160.8157.2-61.7-90.7000120.7
323S25.5Very low28.7Very low100 Ų100148.4 Ų148.470%0.69974%0.738SS**  cis-172.8145.3-39-170.40000109
324P34.9Very low28.6Very low109 Ų109146 Ų14671%0.70873%0.731SS**  trans-110.1156.9-17039.9-34.1000116.8
325Y27.1Very low28.4Very low218 Ų218142.5 Ų142.586%0.85572%0.717SS**  trans-147130.2156-100-96.8000107
326F27.1Very low28.5Very low182 Ų182139.4 Ų139.480%0.79871%0.707SS**  54.9136.179.9-82.8-81.4000114.3
327S26.6Very low28.6Very low96 Ų96136.9 Ų136.967%0.67169%0.694SS**  cis-161.9152.411.960.40000115.5
328Y26.5Very low28.8Very low193 Ų193136.2 Ų136.276%0.75768%0.682SS**  trans62.2123.1137.5-91.4-128.6000123.8
329M25.5Very low28.7Very low135 Ų135135.7 Ų135.767%0.66567%0.674SS**  trans77.9134.4132.1-64.7-63.7-164.900123.6
330D27.7Very low28.6Very low127 Ų127133.2 Ų133.268%0.67967%0.665SS**  trans64.5147.3132.9-78.432000123.3
331N27.4Very low28.8Very low110 Ų110131.7 Ų131.759%0.58866%0.662SS**  cis-163.2158.5-23.6-134.8-35.1000111.6
332N26.4Very low28.6Very low111 Ų111134.2 Ų134.259%0.59466%0.663SS**  trans57.5127.6147.9-74.4-40.4000124.4
333N28Very low28.6Very low98 Ų98131.1 Ų131.152%0.52466%0.66SS.*  trans69.9122132.8-60.7-21.9000122.2
334N31.8Very low28.7Very low122 Ų122132.9 Ų132.965%0.65266%0.662SS**  -158.3160.699.8-99.5-32.4000114.5S91S91-N334 WeakPolarHBondContact CB-OD1 3.45Å; S91-N334 PolarHBondContact OG-OD1 3.49Å
335N27.5Very low28.3Very low88 Ų88136.7 Ų136.747%0.47166%0.662SS.*  trans-65.6171.3-173.7-46.6-72.2000113.7Y89 S90 S91Y89-N335 HydrophobicContact CE1-CB 4.18Å; S90-N335 PolarHBondContact OG-ND2 2.87Å; S90-N335 PolarHBondContact OG-OD1 3.18Å; S91-N335 PolarHBondContact OG-ND2 2.92Å
336S31.2Very low28.3Very low82 Ų82129.5 Ų129.557%0.57364%0.641SS**  cis-142.6178.416.561.20000110.6
337D32.2Very low28.4Very low120 Ų120125.2 Ų125.264%0.64262%0.624SS**  cis-152.9-179.531.3-119.2-56.2000115.4H88H88-D337 IonicContact CE1-OD1 3.53Å
338N33.6Very low28.4Very low91 Ų91126 Ų12649%0.48762%0.618SS.*  trans-82.7137.3-162.3-67.8-68.9000118.5H88H88-N338 PolarHBondContact CE1-ND2 3.19Å; H88-N338 PolarHBondContact ND1-ND2 3.45Å; H88-N338 PolarHBondContact NE2-ND2 2.75Å
339H28.9Very low28.4Very low142 Ų142123.4 Ų123.466%0.65762%0.616SS**  trans18.5137.9133.1-91.6-58.3000124.4
340Y26Very low28.4Very low173 Ų173123.8 Ų123.868%0.67862%0.621SS**  trans65.1106140.9-65.6-46.6000121.2
341N31.2Very low28.5Very low126 Ų126127.2 Ų127.267%0.67463%0.63SS**  170.5160.3103.7-87.3-31.8000110.3
342Y26.9Very low28.4Very low178 Ų178128.1 Ų128.170%0.69864%0.639SS**  cis-170.3152.2-37.1-147.2-98.6000105.2
343L28.7Very low28.5Very low152 Ų152130 Ų13080%0.79665%0.648SS**  trans66.6163.8174.5-76.1150.7000119.2
344N27.5Very low28.7Very low138 Ų138133.8 Ų133.874%0.73867%0.667SS**  trans-61.2163164-55.6-73.2000110.5
345R27.2Very low28.6Very low188 Ų188131.1 Ų131.171%0.70967%0.668SS**  cis-163.4157.536.3-149-173.6-172.6-177.81.3114.8D79D79-R345 PolarHBondContact OD2-N 3.46Å
346T25.7Very low28.5Very low67 Ų67134.9 Ų134.941%0.41169%0.689SS.*  trans64.6173162.868.10000119.6C77 N78C77-T346 VanDerWaalsContact C-OG1 3.24Å; C77-T346 WeakPolarHBondContact CA-OG1 3.35Å; C77-T346 PolarHBondContact N-OG1 3.14Å; N78-T346 PolarHBondContact N-OG1 3.28Å
347E29.8Very low28.6Very low93 Ų93135 Ų13544%0.43569%0.69SS.*  -175.2169-51.5-163.5162.3-176.900110.6S75 S76S75-E347 VanDerWaalsContact CA-CD 3.45Å; S75-E347 VanDerWaalsContact CA-OE1 3.24Å; S75-E347 WeakPolarHBondContact CA-OE1 3.21Å; S75-E347 WeakPolarHBondContact CA-OE2 3.34Å; S75-E347 PolarHBondContact N-OE1 3.09Å; S75-E347 PolarHBondContact N-OE2 3.36Å; S76-E347 WeakPolarHBondContact CA-OE2 3.46Å; S76-E347 PolarHBondContact N-OE2 3.39Å
348M27.1Very low28.4Very low112 Ų112135.8 Ų135.855%0.55269%0.694SS**  trans79136.4164.5-99.4-152.4-169.400123.5S76S76-M348 WeakPolarHBondContact OG-CE 3.33Å; S76-M348 WeakPolarHBondContact OG-CG 3.48Å; S76-M348 PolarHBondContact OG-SD 3.14Å; S76-M348 VanDerWaalsContact OG-SD 3.38Å
349L26.6Very low28.3Very low138 Ų138138.4 Ų138.472%0.72371%0.707SS**  trans69.592.9143.1-70.7175.9000124.3
350N26.1Very low28.2Very low143 Ų143136.2 Ų136.277%0.76571%0.708SS**  25.1111.6117.2-70.7-19000121.3
351K28.9Very low28.7Very low199 Ų199135.2 Ų135.287%0.86571%0.712SS**  -173118.8124.4-98.9156.8-176.4176.80108.1
352V25.4Very low28.5Very low129 Ų129134.9 Ų134.978%0.78272%0.72SS**  79.3134.661.4176.70000112.9
353I28.1Very low29.1Very low152 Ų152131.3 Ų131.378%0.77972%0.719SS**  trans81.694.6-177.8-38-169.7000117.4
354L31.9Very low29.3Very low176 Ų176131.7 Ų131.792%0.92172%0.72SS**  trans148.7128140.7-83.4176.1000106.5
355G29.4Very low29.4Very low66 Ų66130.2 Ų130.268%0.6872%0.719SS**  cis174.1153.6-100000107.9
356N27.2Very low29.7Very low167 Ų167126.6 Ų126.689%0.89372%0.723SS**  trans-59.7162.7175.6-40.5-40.7000110.2
357S32.2Very low29.8Very low86 Ų86134.5 Ų134.560%0.60175%0.745SS**  cis-160.8-178.822.158.70000111.5
358D29.1Very low29.9Very low136 Ų136135.2 Ų135.273%0.72776%0.758SS**  trans61.3135.5146.4-56.8-31.8000119
359L31.2Very low30Very low145 Ų145133 Ų13376%0.75975%0.753SS**  cis-161.7140.718.6-120.7157.8000110.9
360S26.7Very low30.2Very low97 Ų97131.9 Ų131.968%0.67874%0.743SS**  trans55.4168.8146.167.90000123.2
361I36.3Very low30.5Very low151 Ų151126.4 Ų126.477%0.77472%0.715SS**  trans73.388.8169.1-47.9176.9000116.2
362S26.7Very low30.7Very low119 Ų119121 Ų12183%0.83270%0.695SS**  trans-73.1137.6168.153.60000113.8
363P39.4Very low31Very low104 Ų104118.7 Ų118.768%0.67568%0.682SS**  trans-118.4137.4167.38.114.9000115.5
364I32.5Very low31Very low159 Ų159118.6 Ų118.682%0.81568%0.683SS**  trans84.2139.2130.8-66169.9000121.1
365C29.5Very low31Very low108 Ų108116.1 Ų116.173%0.7368%0.675SS**  trans80.6111.8159.1-84.10000122.9
366S33.7Very low30.9Very low112 Ų112118.1 Ų118.178%0.78368%0.678SS**  77.1114.5122.2-56.40000121.6
367R28.8Very low31Very low232 Ų232115 Ų11588%0.87567%0.67SS**  trans-64.4165.9156.4-102.8-175.5173-175.4-1.8111.4
368P32.2Very low30.8Very low109 Ų109116.7 Ų116.771%0.70868%0.677SS**  cis-134.3177.732.442.6-26.5000118.7
369S27.3Very low30.6Very low65 Ų65112.6 Ų112.646%0.45566%0.658SS.*  trans72.972.1157.6-64.20000118.8S382S369-S382 VanDerWaalsContact O-CA 3.27Å; S369-S382 WeakPolarHBondContact O-CA 3.4Å; S369-S382 WeakPolarHBondContact O-CB 3.34Å; S369-S382 PolarHBondContact O-OG 3.34Å
370F31.3Very low30.6Very low115 Ų115110.9 Ų110.950%0.50465%0.649SS.*  trans-131.4124.8147.7-81.3-111.9000106.9C379 L380 L381F370-C379 CarbonylContact O-C 3.57Å; F370-L380 VanDerWaalsContact C-N 3.33Å; F370-L380 HydrophobicContact CB-CB 3.6Å; F370-L380 HydrophobicContact CD1-CB 4.33Å; F370-L380 HydrophobicContact CG-CB 4.46Å; F370-L381 VanDerWaalsContact CA-N 3.28Å; F370-L381 WeakPolarHBondContact CA-O 3.38Å; F370-L381 VanDerWaalsContact CB-N 3.27Å; F370-L381 VanDerWaalsContact CD1-N 3.26Å
371T32.7Very low31.1Very low27 Ų27109.3 Ų109.317%0.16663%0.633CS.*  cis146.6-99.3-6.6166.30000112.8C379 L381 K389T371-C379 VanDerWaalsContact N-C 3.26Å; T371-C379 WeakPolarHBondContact O-CA 3.32Å; T371-L381 WeakPolarHBondContact CA-O 3.4Å; T371-L381 WeakPolarHBondContact CB-O 3.35Å; T371-L381 WeakPolarHBondContact CG2-O 3.46Å; T371-L381 PolarHBondContact OG1-O 2.89Å; T371-K389 VanDerWaalsContact CB-NZ 3.28Å; T371-K389 WeakPolarHBondContact O-CE 3.36Å; T371-K389 PolarHBondContact O-NZ 3.1Å; T371-K389 WeakPolarHBondContact OG1-CD 3.27Å; T371-K389 WeakPolarHBondContact OG1-CE 3.46Å; T371-K389 PolarHBondContact OG1-NZ 3.29Å
372L33.1Very low30.9Very low86 Ų86104.7 Ų104.745%0.4561%0.614SS.*  trans179.3133.3151-105.3170.4000111.8L380 L381L372-L380 CarbonylContact C-O 3.54Å; L372-L381 VanDerWaalsContact N-CB 3.34Å; L372-L381 VanDerWaalsContact N-N 3.1Å; L372-L381 VanDerWaalsContact O-CB 3.27Å; L372-L381 WeakPolarHBondContact O-CB 3.36Å
373P31.5Very low30.9Very low80 Ų80104.8 Ų104.852%0.51961%0.605SS.*  -140.7-170.281.244-31.3000115.5L380P373-L380 WeakPolarHBondContact CD-O 3.28Å
374L28.4Very low30.5Very low150 Ų150109.8 Ų109.879%0.78561%0.612SS**SBendtrans71.1145.8-178.3-74.8171.8000117.7
375T30.8Very low30.6Very low125 Ų125107.5 Ų107.577%0.76761%0.61SS**SBendtrans59.9159.5176.158.80000117.3
376S29.3Very low30.7Very low107 Ų107108.9 Ų108.975%0.74862%0.615SS**SBendtrans-63.9134.4167.2490000110.4
377S28.8Very low30.4Very low102 Ų102109.4 Ų109.471%0.71362%0.618SS**SBendtrans8186.5174.3-48.30000117.1
378T27.7Very low30.3Very low121 Ų121102.2 Ų102.274%0.74260%0.604SS**SBendtrans62.7103145.456.80000121
379C25.2Very low30Very low50 Ų50101.5 Ų101.534%0.33859%0.59SS.*  trans90.3117.1139.5-60.20000122F370 T371F370-C379 CarbonylContact O-C 3.57Å; T371-C379 VanDerWaalsContact N-C 3.26Å; T371-C379 WeakPolarHBondContact O-CA 3.32Å
380L31.8Very low30.2Very low109 Ų109104.4 Ų104.457%0.57160%0.596SS**  trans-164.238.2-164.690.573.1000121.6F370 L372 P373F370-L380 VanDerWaalsContact C-N 3.33Å; F370-L380 HydrophobicContact CB-CB 3.6Å; F370-L380 HydrophobicContact CD1-CB 4.33Å; F370-L380 HydrophobicContact CG-CB 4.46Å; L372-L380 CarbonylContact C-O 3.54Å; P373-L380 WeakPolarHBondContact CD-O 3.28Å
381L35.2Very low30.1Very low65 Ų65107 Ų10734%0.3461%0.61SS.*  trans-166.4141-175.2179.1-79.8000117F370 T371 L372F370-L381 VanDerWaalsContact CA-N 3.28Å; F370-L381 WeakPolarHBondContact CA-O 3.38Å; F370-L381 VanDerWaalsContact CB-N 3.27Å; F370-L381 VanDerWaalsContact CD1-N 3.26Å; T371-L381 WeakPolarHBondContact CA-O 3.4Å; T371-L381 WeakPolarHBondContact CB-O 3.35Å; T371-L381 WeakPolarHBondContact CG2-O 3.46Å; T371-L381 PolarHBondContact OG1-O 2.89Å; L372-L381 VanDerWaalsContact N-CB 3.34Å; L372-L381 VanDerWaalsContact N-N 3.1Å; L372-L381 VanDerWaalsContact O-CB 3.27Å; L372-L381 WeakPolarHBondContact O-CB 3.36Å
382S33.9Very low29.9Very low53 Ų53114 Ų11437%0.37164%0.644SS.*  trans-172.735.7-157.3170.90000114.1S369S369-S382 VanDerWaalsContact O-CA 3.27Å; S369-S382 WeakPolarHBondContact O-CA 3.4Å; S369-S382 WeakPolarHBondContact O-CB 3.34Å; S369-S382 PolarHBondContact O-OG 3.34Å
383D26.2Very low29.6Very low121 Ų121113.9 Ų113.965%0.64766%0.656SS**SBendtrans-155.7-175.3-176.2-129-39.6000114.3
384Y31.2Very low29.4Very low209 Ų209117.3 Ų117.382%0.8267%0.67SS**SBendtrans-31.6141178.8-90.4-108.2000118.5
385S34.9Very low29.3Very low112 Ų112115.2 Ų115.278%0.78367%0.668SS**SBendtrans65.5109.2167.969.30000118.2
386V30.3Very low29.3Very low136 Ų136116.9 Ų116.982%0.82467%0.67SS**SBendcis-137.4104.7-15.7176.10000107.6
387S28Very low29.5Very low123 Ų123119.1 Ų119.186%0.8667%0.672SS**  trans57.8141.8174.3-71.40000118.7
388S26.1Very low29.8Very low81 Ų81118.8 Ų118.857%0.56667%0.67SS**  trans-143.9121.7-151.941.30000116.9
389K26.6Very low30Very low95 Ų95123.7 Ų123.741%0.41368%0.676SS.*  trans51.3111132.7-62.517280.9-71.20121.2T371T371-K389 VanDerWaalsContact CB-NZ 3.28Å; T371-K389 WeakPolarHBondContact O-CE 3.36Å; T371-K389 PolarHBondContact O-NZ 3.1Å; T371-K389 WeakPolarHBondContact OG1-CD 3.27Å; T371-K389 WeakPolarHBondContact OG1-CE 3.46Å; T371-K389 PolarHBondContact OG1-NZ 3.29Å
390Q30.7Very low30.5Very low126 Ų126126.1 Ų126.159%0.58969%0.692SS**  91.7136.7109.8-170172.76.600122
391Q30.5Very low30.3Very low169 Ų169128.5 Ų128.579%0.7971%0.705SS**  trans93.1159.3152.6-103.8171.9-3.700121.9
392I28.3Very low29.9Very low173 Ų173133.3 Ų133.389%0.88773%0.726SS**  trans82.4156.7-175.6-55.7-178.3000114.2
393A26.9Very low29.5Very low84 Ų84138.9 Ų138.969%0.69475%0.746SS**  trans-98.4-169.4-164.700000113.3
394D27.2Very low29.6Very low152 Ų152143.7 Ų143.781%0.81376%0.755SS**  trans77.3125.1-177.1-62.8-24.2000117.8
395S25.3Very low29.3Very low106 Ų106139.6 Ų139.674%0.74175%0.746SS**SBendtrans59.4118.2152.3-57.70000120.7
396I30.4Very low28.9Very low161 Ų161142.4 Ų142.483%0.82675%0.749SS**SBendtrans68.4101154.3-60.3176.1000114.3
397I34.8Very low28.9Very low154 Ų154141.5 Ų141.579%0.7974%0.743SS**  cis-138.8119.56.3-56-179.1000111.9
398S34.4Very low29.1Very low94 Ų94146.2 Ų146.266%0.65774%0.742SS**  trans17101.6148.6-1770000121.8
399Y31.9Very low29.1Very low224 Ų224149.6 Ų149.688%0.87875%0.754SS**  trans69.2153.2134.5-75.2-85.8000123
400P35.8Very low29.5Very low102 Ų102153.8 Ų153.866%0.66278%0.775SS**  trans-122.6-168.2-17543.5-28.1000114.7
401N28.3Very low29.5Very low158 Ų158153.5 Ų153.585%0.84578%0.782SS**  trans121.5149.6146.6-77.6-8.5000119.1
402E26Very low29.7Very low167 Ų167152.3 Ų152.378%0.7878%0.78SS**  trans-84.9167.3-177.5-55.4177.2100.800113.5
403Q26.6Very low29.9Very low169 Ų169152.3 Ų152.379%0.7978%0.777SS**  trans14.8117.8143.7-55.4178.735.600118.4
404R26.6Very low30Very low222 Ų222157.6 Ų157.684%0.83879%0.787SS**  -174123.4108.1-101.8179-179.7-155.10.9114.5
405I25.7Very low30.2Very low123 Ų123156.7 Ų156.763%0.63179%0.787SS**  trans69.9137133.2-65.6169.8000119
406M26.2Very low30.3Very low172 Ų172157 Ų15785%0.84779%0.789SS**  trans71126.8169.8-75.5164.2-162.900115.8
407T30.3Very low30.3Very low116 Ų116158 Ų15871%0.71279%0.79SS**  cis-151.5154.511.5-32.80000113.9
408R32.1Very low30.1Very low223 Ų223157.1 Ų157.184%0.84279%0.786SS**  trans8291.3149.7-110.8177.1-176.689.22.9119.9
409N25.9Very low29.9Very low151 Ų151159.2 Ų159.281%0.80779%0.79SS**  trans-38.3142.2150.5-37.3-16.2000114.2
410Q34.8Very low29.8Very low183 Ų183156 Ų15686%0.85578%0.784SS**  trans161.2137.9139.6-94.6171.3-10.900109.2
411T31.6Very low29.5Very low120 Ų120159.9 Ų159.974%0.73679%0.786SS**  cis-164.4171.5-19.4-2.40000107.9
412L34.8Very low29.8Very low144 Ų144160 Ų16075%0.75478%0.781SS**  trans73110.3179.7-48.8174.9000112.7
413Q31.9Very low30.1Very low174 Ų174159.1 Ų159.181%0.81378%0.782SS**  79.291.768.5-77.2-173-5800113.8
414E28.7Very low30.2Very low195 Ų195159.8 Ų159.891%0.91178%0.783SS**  -160.1139.4115.4-109171.6-160.300109.4
415T32.3Very low30.4Very low133 Ų133154.1 Ų154.182%0.81677%0.769SS**  trans-139.493.2179.952.50000111.1
416S27.1Very low30.7Very low111 Ų111155.7 Ų155.778%0.77677%0.771SS**  trans12.9130.4138.458.40000119.1
417Q31.6Very low30.9Very low182 Ų182153.9 Ų153.985%0.8576%0.763SS**  -159146.5121.9-120.9173.211.800114.8
418L30Very low30.9Very low136 Ų136158.2 Ų158.271%0.71277%0.768SS**  trans90.4115.9163.3-62.6162.8000119.2
419D30.2Very low31Very low139 Ų139152.7 Ų152.774%0.74376%0.764SS**  trans62.6133.6147.6-42.7-27.1000119
420E29.8Very low31.2Very low157 Ų157153 Ų15373%0.73477%0.765SS**  cis-155.3158.13.6-137.2-175.6-175.100112
421Y30.1Very low31.1Very low183 Ų183150.3 Ų150.372%0.71876%0.763SS**  trans59.4131.4163.7-76.8-74000124.8
422H33.9Very low31Very low160 Ų160149.6 Ų149.674%0.74176%0.763SS**  trans64.696150.6-78.4-60.4000123.9
423N31.8Very low30.8Very low149 Ų149149.6 Ų149.680%0.79777%0.769SS**  43.4128.7121.7-947.3000124
424F27.9Very low30.5Very low183 Ų183147.3 Ų147.380%0.80377%0.771SS**  trans-45.6167147.7-60.4-96.8000114.3
425D31Very low30.5Very low103 Ų103145.6 Ų145.655%0.55177%0.766SS**  cis-160163.922.2-145.7-17000114.3
426K33.1Very low30.3Very low155 Ų155147.3 Ų147.367%0.67477%0.765SS**  trans35.5124.8162.1-70.8137.5-163.2156.50121.1
427I29.6Very low30.2Very low134 Ų134146.9 Ų146.969%0.68776%0.762SS**  64.9119.657.3-58.6170000111.9
428Y30.7Very low30.2Very low207 Ų207148.5 Ų148.581%0.81277%0.766SS**  cis-133.6163.1-2.3-88.9-58.4000107.6
429S33.6Very low30Very low107 Ų107148 Ų14875%0.74877%0.769SS**  cis-161.8126.445.139.10000115.3
430L31.2Very low29.9Very low158 Ų158148 Ų14883%0.82777%0.769SS**  trans53.5106.8136.5-67.3163.8000121.7
431P32.8Very low29.8Very low127 Ų127147.7 Ų147.783%0.82577%0.77SS**  trans-107.4-170.7174.842.5-35.4000114.5
432S28.4Very low29.8Very low105 Ų105143.1 Ų143.173%0.73477%0.765SS**  trans-97.5154.5-176.5-60.60000115.4
433T31.9Very low29.6Very low143 Ų143142.3 Ų142.388%0.87777%0.767SS**  trans67.3122.8154.446.30000121.3
434C24.2Very low29.6Very low126 Ų126141.9 Ų141.985%0.85176%0.764SS**  trans-64.4152-175.5-44.70000117.6
435I29.4Very low29.9Very low159 Ų159139.2 Ų139.282%0.81576%0.758SS**  trans-139.8122.8149.8-77.5-166.6000111.2
436H28.5Very low29.8Very low169 Ų169140.4 Ų140.478%0.78276%0.764SS**  trans61.3115.7153.3-76.269.3000124.9
437S25.3Very low29.7Very low103 Ų103139.2 Ų139.272%0.7277%0.77SS**  trans54.8114.1132.666.40000122.7
438K30.2Very low29.6Very low216 Ų216137.6 Ų137.694%0.93977%0.77SS**  trans-137.4142.1133.9-97.4-177.7179.5175.30110.3
439T27.1Very low29.7Very low124 Ų124132.6 Ų132.676%0.76177%0.765SS**  trans-103.6127.7177.247.40000111.1
440N27.8Very low29.5Very low140 Ų140135 Ų13575%0.74976%0.764SS**  trans163.2128.1149-83.8-12.9000107
441I27.8Very low29.3Very low150 Ų150136.9 Ų136.977%0.76977%0.766SS**  61.7110.961.6-57.1172.9000108.4
442S29.8Very low29.2Very low87 Ų87136.6 Ų136.661%0.60876%0.758SS**  cis-166.4172.414.749.30000112.2
443N29.8Very low29.2Very low144 Ų144138.2 Ų138.277%0.7776%0.758SS**  trans71.4134155.9-60.3-16.1000117.1
444L32.3Very low29Very low140 Ų140138.2 Ų138.273%0.73375%0.753SS**  cis-128.3-173.1-9.7-5788.6000107.7
445N32.5Very low29.1Very low127 Ų127137 Ų13768%0.67974%0.744SS**  cis-140.8155.310-101.1-40.2000107.1
446N30.1Very low29.3Very low127 Ų127138.1 Ų138.168%0.67974%0.743SS**  63127.361.4-61.4-21.9000114.5
447V31.6Very low29.3Very low131 Ų131136.2 Ų136.279%0.79475%0.746SS**  cis-152.4168.4-6.2100.10000112.1
448S26.7Very low29.5Very low99 Ų99140 Ų14069%0.69275%0.749SS**  trans-83.1151-175.952.30000116.1
449S32.2Very low29.4Very low102 Ų102134.9 Ų134.971%0.71373%0.733SS**  trans-168.1108131.752.30000108.9
450E29Very low29.4Very low157 Ų157138 Ų13873%0.73473%0.732SS**  7311394.3-72.5-174.8140.800115.2
451F28.8Very low29.3Very low198 Ų198139.1 Ų139.187%0.86873%0.732SS**  -158.1158.195.8-123.7-91.4000112
452N30.9Very low29.2Very low121 Ų121137.6 Ų137.665%0.64773%0.73SS**  trans-102.3155.8-166.8-63.4-35.3000114.5
453D28.2Very low29.1Very low139 Ų139139.6 Ų139.674%0.74373%0.734SS**  trans60.9134.6136.3-76.2-36.9000124.6
454L26.3Very low29Very low144 Ų144138.5 Ų138.575%0.75473%0.728SS**  trans68.295137.4-64.9169.4000121.5
455C26.9Very low28.9Very low101 Ų101137.1 Ų137.168%0.68272%0.722SS**  92.5125.7116.2-84.40000122.7
456K33Very low28.8Very low182 Ų182140.4 Ų140.479%0.79173%0.726SS**  trans74.6156157.5-56.7175-176.6177.30114.8
457P29.4Very low28.9Very low129 Ų129141.9 Ų141.984%0.83873%0.728SS**  -120.4169.375.638.8-35.1000114.6
458F28.6Very low28.7Very low181 Ų181141.9 Ų141.979%0.79472%0.723SS**  trans-138.2115.8165.3-129.1-63.7000109.5
459N29.1Very low29Very low110 Ų110142.8 Ų142.859%0.58873%0.725SS**  trans68.3136.6151-87.8-5.7000125.5
460Y25.7Very low28.8Very low188 Ų188144 Ų14474%0.73772%0.723SS**  trans91.8147.6135.1-76.3-46.3000124.4
461H26.3Very low28.9Very low164 Ų164143.4 Ų143.476%0.75972%0.72SS**  trans73.1156.7158.5-68.8-36.6000117.5
462T26.1Very low29Very low118 Ų118140 Ų14072%0.72471%0.711SS**  cis-168158.3-3.620.70000108.3
463N27Very low29.3Very low129 Ų129140.8 Ų140.869%0.6972%0.72SS**  cis-172.7174.9-19.7-154.33.3000110
464N28.5Very low29.4Very low121 Ų121142.1 Ų142.165%0.64773%0.728SS**  trans66.6159.7158.6-61.4-12.2000116.9
465N29.7Very low29.7Very low112 Ų112138.8 Ų138.860%0.59973%0.728SS**  cis-158.5170.3-9.9-110.4-1000106.2
466Y30.9Very low30.1Very low195 Ų195143.7 Ų143.777%0.76574%0.738SS**  cis-130.3-159.511.7-62.7-92.1000108
467H31.9Very low29.9Very low158 Ų158145 Ų14573%0.73174%0.744SS**  cis-1381283.3-127.8-105.8000105.8
468L27.9Very low30.2Very low132 Ų132145 Ų14569%0.69174%0.742SS**  62.4130.992.5-87.4172.1000117.8
469T31.9Very low30.3Very low117 Ų117147.8 Ų147.872%0.71875%0.747SS**  trans77.3110.6160.351.90000122.4
470N27.8Very low30.4Very low129 Ų129150.7 Ų150.769%0.6976%0.757SS**  72.2124.2128.9-71.939.8000124.5
471E32.2Very low30.5Very low144 Ų144148.5 Ų148.567%0.67376%0.757SS**  85.9133.6129.8-76.5177.2-116.500122.9
472N30.4Very low30.9Very low127 Ų127150.3 Ų150.368%0.67976%0.763SS**  trans47.4114.9140.5-55.7-34.1000117.6
473T37.7Very low31.3Very low136 Ų136153.4 Ų153.483%0.83477%0.766SS**  -164173.758.440.60000115.2
474N30.8Very low31.2Very low167 Ų167154 Ų15489%0.89377%0.77SS**  trans-52.8143-179.3-59-66.7000116.9
475G32.9Very low31.4Very low75 Ų75157.8 Ų157.877%0.77378%0.781SS**  trans-174.847.5172.800000115.9F477G475-F477 PolarHBondContact O-N 3.41Å; G475-F477 VanDerWaalsContact O-N 3.12Å
476K35Very low31.4Very low203 Ų203164.3 Ų164.388%0.88380%0.797SS**  trans-69.7106.8-173.9-75.3-176.4178.5175.40113.7
477F29.2Very low31.3Very low211 Ų211159.6 Ų159.693%0.92579%0.792SS**  trans-110.9116.9150.9-109.2-86.6000109.6G475G475-F477 PolarHBondContact O-N 3.41Å; G475-F477 VanDerWaalsContact O-N 3.12Å
478T35.7Very low31.1Very low128 Ų128158.8 Ų158.879%0.78579%0.793SS**  trans-154.8116172.7-7.60000110.5
479R29.4Very low31.4Very low240 Ų240161.4 Ų161.491%0.90680%0.802SS**  trans-73.3129.7162.2-74174.3168170.2-4.6108
480Q31.8Very low31.4Very low170 Ų170160.3 Ų160.379%0.79480%0.799SS**  178.4141.6118.1-97.4-173.253.100114.2
481L27.2Very low31.5Very low142 Ų142159.3 Ų159.374%0.74380%0.802SS**  trans47.4118.7145.8-59174.9000121.4
482K34.2Very low31.5Very low202 Ų202164 Ų16488%0.87881%0.813SS**  -161.9109.6123-110.7161-172.2172.50115.5
483K34.5Very low31.7Very low183 Ų183168.5 Ų168.580%0.79682%0.821SS**  trans38.3117.7137.7-64.9-174.6176.9-1770121.7
484N26.4Very low31.2Very low143 Ų143171.4 Ų171.477%0.76583%0.827SS**  86.1146.8123.8-65.45.3000122.5
485K31.4Very low31.4Very low200 Ų200168.2 Ų168.287%0.8781%0.814SS**  trans65.8103.7164.4-66.9-178.2179.3-178.10117.8
486R30.9Very low31.5Very low249 Ų249173.8 Ų173.894%0.9482%0.817SS**  -164.7146.296.5-105.4169.4176.5153.4-1.2112.5
487S27.9Very low31.3Very low95 Ų95172 Ų17266%0.66482%0.816SS**  trans-88.2177.8160.862.60000110.1
488N28.7Very low31.3Very low141 Ų141171.4 Ų171.475%0.75482%0.816SS**  trans70.6104.4171.7-49.59.9000114.9
489H33.4Very low31.2Very low188 Ų188168.6 Ų168.687%0.8781%0.812SS**  -153.1132.4116-123.8-73.1000112.3
490S33Very low31.3Very low94 Ų94165.7 Ų165.766%0.65781%0.814SS**  trans-88.5150.1162.550.80000110.5
491S30Very low31.5Very low108 Ų108166.2 Ų166.276%0.75581%0.814SS**  trans51.599.7145.1-62.60000120
492R32.2Very low31.7Very low242 Ų242168.6 Ų168.691%0.91382%0.818SS**  151.6130.3111.8-84.7168.2176.5179.8-0.9113.1
493R32.6Very low31.5Very low222 Ų222166.9 Ų166.984%0.83882%0.815SS**  -169.8110.8108.4-109.6173167.2168.3-2.9113.3T495R493-T495 HydrophobicContact CB-CG2 4.04Å; R493-T495 VanDerWaalsContact CD-CG2 3.46Å; R493-T495 HydrophobicContact CG-CG2 3.65Å
494M28.9Very low31.4Very low196 Ų196166.9 Ų166.997%0.96682%0.815SS**  trans-82142130.6-91.9-81.1-100.700106.9
495T34.7Very low31.6Very low100 Ų100169.7 Ų169.761%0.61382%0.816SS**  trans-125.4123.9179.144.90000111.3R493R493-T495 HydrophobicContact CB-CG2 4.04Å; R493-T495 VanDerWaalsContact CD-CG2 3.46Å; R493-T495 HydrophobicContact CG-CG2 3.65Å
496K35.3Very low31.6Very low193 Ų193164.7 Ų164.784%0.83981%0.806SS**  trans-151.2136.6148-129.3177.6-178.6179.90110.6
497L30.7Very low31.3Very low164 Ų164157.9 Ų157.986%0.85980%0.797SS**  trans5790161.2-66.6149.7000117.2
498E28.8Very low31.4Very low200 Ų200161.3 Ų161.394%0.93581%0.808SS**  trans-122.6140.1136.5-164-173.4-104.500106.5
499G32.8Very low31.3Very low68 Ų68161.7 Ų161.770%0.70181%0.81SS**  trans178.466.6-170.300000117.3
500L33.1Very low31.1Very low179 Ų179161.2 Ų161.294%0.93781%0.808SS**  -173.5164.9124.8-100.4167.2000111.5
501K34.2Very low30.7Very low182 Ų182165.3 Ų165.379%0.79181%0.814SS**  trans-160.5150.3-166-160.4169.9-171167.30111.1
502K33Very low30.8Very low191 Ų191168.7 Ų168.783%0.8382%0.818SS**  trans76.2154.1-177.9-43.2167.9-178176.90112.7
503M29.7Very low30.7Very low167 Ų167164.5 Ų164.582%0.82381%0.808SS**  cis-124.31516.3-65.7-178-157.600109.8
504K31.4Very low30.3Very low182 Ų182161.3 Ų161.379%0.79180%0.803SS**  42132.782.7-70.4-167.7172.9-165.60113.7
505Y31.5Very low30.3Very low203 Ų203159.7 Ų159.780%0.79679%0.793SS**  cis-125.4152.232.3-88.5-94.2000114.3
506S30Very low30.1Very low94 Ų94161.5 Ų161.566%0.65779%0.794SS**  41.8113.7106.4-69.30000115
507S26.5Very low29.9Very low107 Ų107160.4 Ų160.475%0.74879%0.792SS**  79.911572.3-61.50000112.5
508D29.7Very low30.1Very low167 Ų167161.2 Ų161.289%0.89379%0.791SS**  trans-151.4155.9130.3-105-34.3000111.1
509N26.1Very low30.2Very low149 Ų149155.7 Ų155.780%0.79777%0.774SS**  trans-119.5178.2-179.1-84.6-46.7000109.8
510Q28.7Very low30.1Very low177 Ų177160.1 Ų160.183%0.82778%0.781SS**  trans94.4127.8176.3-53.1168.614.500112.6
511F25.4Very low29.7Very low181 Ų181156 Ų15679%0.79477%0.767SS**  cis67.585.746-84.1-85.5000114.6
512H32.6Very low29.3Very low178 Ų178152.4 Ų152.482%0.82477%0.765SS**  trans-116.3130.8148.6-84.118.4000105
513H28.5Very low29.2Very low154 Ų154149 Ų14971%0.71376%0.761SS**  cis58.2134.832.3-78.2-40.7000114.5
514H24.8Very low29.3Very low156 Ų156148 Ų14872%0.72276%0.759SS**  cis-168.8120.3-20-161.1-13.9000108.8
515E29.3Very low29.4Very low161 Ų161146.9 Ų146.975%0.75276%0.756SS**  trans-168.1124158.3-108.7154.8-167.100109
516Q29.7Very low29.4Very low138 Ų138144.9 Ų144.965%0.64576%0.759SS**  70.8135.183.7-68.8-175.43600113.5
517H32.5Very low29.4Very low171 Ų171152.3 Ų152.379%0.79277%0.772SS**  cis-144154.2-17.1-83.7-69000105.1
518Q34.3Very low29.7Very low180 Ų180151.8 Ų151.884%0.84177%0.769SS**  -175.6159.463-72176.56.100106.7
519S30.4Very low29.7Very low84 Ų84150.9 Ų150.959%0.58776%0.763SS**  cis-172.7150.7-17.354.80000109.4
520L30.5Very low29.8Very low162 Ų162151.9 Ų151.985%0.84876%0.763SS**  trans65.9165.4162.8-58.1160.9000117.6
521S25Very low30Very low91 Ų91151 Ų15164%0.63676%0.763SS**  -166.9140.7-65.548.70000111.9
522S26.3Very low30.4Very low107 Ų107147.5 Ų147.575%0.74876%0.756SS**  trans74.1154.9164.977.90000120.1
523T31.2Very low30.5Very low120 Ų120147 Ų14774%0.73675%0.752SS**  trans69.3108.8168.758.50000121.4
524N31.7Very low30.6Very low146 Ų146146.6 Ų146.678%0.78176%0.755SS**  61.4129.8128-63.312.4000124.9
525E32.5Very low30.9Very low159 Ų159148.5 Ų148.574%0.74376%0.761SS**  trans66.7128.5145.7-65.4-166.5145.200123.4
526L32Very low31Very low161 Ų161149.3 Ų149.384%0.84376%0.762SS**  trans35.5115.4141.1-60.8170.5000119.9
527R30.6Very low31.1Very low249 Ų249148.5 Ų148.594%0.9477%0.767SS**  -175162.397.5-148.7172.9-178.2151.40.1112.6
528S32.2Very low31Very low97 Ų97145 Ų14568%0.67876%0.762SS**  trans-87.4168165.8-45.20000112.8
529L30.2Very low30.8Very low147 Ų147141.7 Ų141.777%0.7775%0.754SS**  trans93.7132.7155.2-64.3165.8000121.2
530E28.4Very low31Very low170 Ų170145.1 Ų145.179%0.79476%0.764SS**  trans76.9129.1136.9-72.1169.6161.900124.1
531L32Very low31Very low160 Ų160142.3 Ų142.384%0.83876%0.758SS**  trans-143.5141.1157.1-67.4165.5000105.6
532T33.4Very low31.1Very low106 Ų106142.8 Ų142.865%0.6576%0.761SS**  cis-163.1165.9-8.822.30000106.8
533K34.3Very low31.4Very low168 Ų168144.3 Ų144.373%0.7377%0.766SS**  cis-16314219.6-126.5149.3-171.2169.10110
534N30.7Very low31.4Very low146 Ų146144.4 Ų144.478%0.78177%0.767SS**  trans42.2134145.8-51.9-6.4000120
535K32Very low31.6Very low195 Ų195142.5 Ų142.585%0.84876%0.763SS**  cis-143.8169.733.6-64.6169.3179.1163.60109.2
536K31.9Very low31.5Very low179 Ų179139.8 Ų139.878%0.77876%0.761SS**  cis-157.5143.614.4-144.6177.1-178.1-173.70109.1
537T31.8Very low31.8Very low120 Ų120140.1 Ų140.174%0.73676%0.762SS**  trans27.8130.2151.153.60000121
538S29.7Very low31.8Very low99 Ų99133.2 Ų133.269%0.69275%0.752SS**  cis177.8-152.5-18.938.90000106
539T30.8Very low32.3Very low109 Ų109134.4 Ų134.467%0.66976%0.757SS**  cis-168.9155.15.4-14.90000108.8
540I34.6Very low32.4Very low156 Ų156131.6 Ų131.680%0.876%0.755SS**  trans66.3137157.2-62.8163.5000117.1
541S29.2Very low32.5Very low104 Ų104128.5 Ų128.573%0.72775%0.752SS**  cis-162.4161.5-2255.80000111.7
542S27.9Very low32.4Very low100 Ų100127.2 Ų127.270%0.69975%0.751SS**  trans-56.6155.8177.351.90000118.6
543T33.4Very low32.1Very low139 Ų139129.5 Ų129.585%0.85376%0.759SS**  -173.2153.6114.520.20000114.2
544T29.4Very low31.9Very low123 Ų123129.4 Ų129.476%0.75576%0.764SS**  trans-114.9-171.9166.655.10000107.8
545P36.6Very low31.7Very low106 Ų106126.4 Ų126.469%0.68876%0.755SS**  cis-138.3-177.81.341.9-22.2000116.7
546S30.2Very low31.3Very low102 Ų102122.8 Ų122.871%0.71375%0.749SS**  trans36.9125.314964.80000122.6
547I39.5Very low31.2Very low168 Ų168119.9 Ų119.986%0.86275%0.746SS**  trans-159.9153.9141.8-105.1152.3000109.8
548S28.9Very low31Very low104 Ų104121.2 Ų121.273%0.72775%0.747SS**  trans-123.3159.9175.6-50.50000111
549P43.9Very low31.4Very low121 Ų121122.4 Ų122.479%0.78675%0.753SS**  -113.1144.1103.9-11.330.2000111.4
550A31.4Very low31.3Very low88 Ų88121.3 Ų121.373%0.72776%0.755SS**  cis69.8122.84500000111.8
551S31.7Very low31.2Very low106 Ų106120.2 Ų120.274%0.74176%0.756SS**  cis-148.2178.28.6-57.60000109.6
552T29.1Very low31Very low133 Ų133121.6 Ų121.682%0.81676%0.76SS**  cis-155.5157.413-27.50000110.2
553L26.6Very low31.5Very low153 Ų153121.7 Ų121.780%0.80176%0.758SS**  trans-93.1-171.4159.3-82.9167.7000110.3
554I31.5Very low31.2Very low166 Ų166120.7 Ų120.785%0.85175%0.752SS**  trans79.6142165-54.7169.3000114.7
555S26Very low31.2Very low83 Ų83120.3 Ų120.358%0.5875%0.749SS**  cis-177.4144.1-26.3-173.80000111.2
556T24.1Very low30.8Very low120 Ų120121 Ų12174%0.73675%0.752SS**  trans57.7165.8146.747.90000122.7
557V29.6Very low30.8Very low118 Ų118122 Ų12272%0.71575%0.754SS**  trans75.1112.4164.4-156.40000113.7
558I26.4Very low30.3Very low147 Ų147119.9 Ų119.975%0.75475%0.749SS**  75.1142.752.2-56.6161.3000112.3
559P39.2Very low30.4Very low125 Ų125120.6 Ų120.681%0.81275%0.749SS**  cis-91.8-136.3-20.724.5-3.9000108.4
560A28.6Very low29.8Very low85 Ų85122 Ų12270%0.70275%0.75SS**  cis-158.8175.6-5.800000107.8
561T31Very low29.6Very low134 Ų134126.3 Ų126.382%0.82276%0.757SS**  cis-132.3141.3-6.143.70000109.6
562T26.9Very low29.6Very low132 Ų132129.1 Ų129.181%0.8176%0.762SS**  trans-78.6169.6154.3460000110.3
563P37.3Very low29.7Very low103 Ų103131 Ų13167%0.66976%0.761SS**  cis-135.1-172-13.126.2-1.9000114.1
564T26.4Very low29.8Very low118 Ų118129.5 Ų129.572%0.72476%0.764SS**  trans71.7156.6142.636.20000122.9
565T29.8Very low29.8Very low114 Ų114131.1 Ų131.170%0.69977%0.765SS**  trans71.894.2148.838.40000121.4
566T28.3Very low29.9Very low122 Ų122131.8 Ų131.875%0.74877%0.769SS**  67.3160.5127.927.30000122
567T30.6Very low30.4Very low122 Ų122132 Ų13275%0.74877%0.77SS**  trans62.810916340.10000116.8
568V29Very low30.7Very low124 Ų124131.8 Ų131.875%0.75277%0.772SS**  101.7132.557.2157.40000111.5
569T31.2Very low30.7Very low119 Ų119130.9 Ų130.973%0.7377%0.773SS**  trans62.591.5174.437.60000119.2
570N31.9Very low30.3Very low151 Ų151134 Ų13481%0.80777%0.774SS**  23.1129.1120.7-49.82.1000119.5
571M26.6Very low30.3Very low178 Ų178135.2 Ų135.288%0.87777%0.773SS**  -151.1162.9120.6-79.2-138.6-173.800110.4
572I32.2Very low30.2Very low164 Ų164135.5 Ų135.584%0.84177%0.767SS**  trans62.486.1172.4-37.9-179.4000113.8
573E30.7Very low30.4Very low172 Ų172136.8 Ų136.880%0.80476%0.762SS**SBend-154.6172.185.5-96-175.4142.100114.2K575E573-K575 PolarHBondContact O-N 3.36Å
574S28.8Very low30.1Very low123 Ų123138.6 Ų138.686%0.8676%0.762SS**  trans30.575.3164.452.70000119.6
575K30.1Very low30.3Very low199 Ų199137.4 Ų137.487%0.86576%0.758SS**  trans-73.4160.3155-80.7179.3-177.9176.40111E573E573-K575 PolarHBondContact O-N 3.36Å
576S29.8Very low30.2Very low97 Ų97138.4 Ų138.468%0.67876%0.759SS**  cis-179.1159.3-7.849.30000112.7
577V33.5Very low30.2Very low124 Ų124139 Ų13975%0.75276%0.758SS**  trans69.2138.8143.9162.40000119.8
578P36.8Very low30.1Very low115 Ų115138 Ų13875%0.74776%0.755SS**  trans-91.8126.116534.7-30.2000112.7
579T26.5Very low30.1Very low128 Ų128139 Ų13979%0.78576%0.756SS**  trans-176146.7136.813.40000113.1
580K30.5Very low30.3Very low190 Ų190140.5 Ų140.583%0.82675%0.754SS**  trans69.1128.4156.4-76-173.7175.2-178.10121
581T27.5Very low30.4Very low111 Ų111138.7 Ų138.768%0.68175%0.745SS**  trans77.7108.1136.151.90000122.9
582I29.7Very low30.6Very low139 Ų139136 Ų13671%0.71373%0.734SS**  79123.9117.9-67171.1000118.6
583K31.7Very low30.6Very low159 Ų159133.3 Ų133.369%0.69172%0.721SS**  trans69.4151157.1-75.3-177.8175.3-65.30118.5
584E29.4Very low30.9Very low142 Ų142132.3 Ų132.366%0.66472%0.721SS**  cis-164.1159-28.9-131.5155.1-138.800108.8
585S31.3Very low31.2Very low93 Ų93134.7 Ų134.765%0.6571%0.712SS**  trans50.8114.5151.965.80000122.9
586N28Very low31.2Very low135 Ų135132 Ų13272%0.72270%0.704SS**  99.5134.2113.3-78.246.5000124.6
587D28.8Very low31.3Very low134 Ų134132.2 Ų132.272%0.71770%0.697SS**  trans79.590.6135.9-52.8-16.4000123.1
588S28.2Very low31.2Very low100 Ų100133.8 Ų133.870%0.69970%0.696SS**  trans-28.5166.5143.657.50000119.8
589L29.4Very low30.9Very low145 Ų145133.2 Ų133.276%0.75969%0.686SS**  -168.7173.8116.8-125.5108.3000114.5
590H33.9Very low31Very low152 Ų152136.4 Ų136.470%0.70469%0.686SS**  trans71.7143.3169.6-80.757.2000118
591N34.3Very low30.9Very low113 Ų113131.4 Ų131.460%0.60467%0.673SS**  cis-176167.1-20.9-112.98000107.8
592N31.8Very low31Very low122 Ų122134.5 Ų134.565%0.65268%0.678SS**  cis-171.2171.5-44.5-131.4-40.3000109.5
593N32.7Very low31.1Very low106 Ų106132.7 Ų132.757%0.56767%0.673SS**  trans72.1153.5170.3-44.7-39.8000116.9R595N593-R595 HydrophobicContact CB-CG 4.39Å; N593-R595 WeakPolarHBondContact OD1-CD 3.38Å
594D35.8Very low30.8Very low152 Ų152133.3 Ų133.381%0.81368%0.683SS**  cis-101.5143.5-4-66.4-59.1000110.8
595R35.4Very low30.8Very low173 Ų173137 Ų13765%0.65369%0.692SS**  cis75.4135.241.5-60.8-163.899.2165.14113.7N593N593-R595 HydrophobicContact CB-CG 4.39Å; N593-R595 WeakPolarHBondContact OD1-CD 3.38Å
596M30Very low30.7Very low142 Ų142135.1 Ų135.170%0.769%0.688SS**  cis-172.1-177.3-11.4-110.2-6.2-142.200108.1
597D31.2Very low30.8Very low102 Ų102135.2 Ų135.255%0.54570%0.696SS.*  cis-156.7179.47-132-37.3000112.2
598E32.7Very low30.8Very low157 Ų157136.5 Ų136.573%0.73470%0.703SS**  trans47.8139.2149.4-61.6-173.7148.300123.2
599L30.2Very low30.6Very low102 Ų102136.1 Ų136.153%0.53470%0.7SS.*  cis-162.7179.6-7.4-106.8165000106
600Y29.1Very low30.6Very low196 Ų196136.1 Ų136.177%0.76970%0.701SS**  cis-140.1142.517.6-89.3-80.5000108.4
601C28.1Very low30.4Very low84 Ų84136.1 Ų136.157%0.56871%0.706SS**  58.9140.888.6-64.10000117
602F29.6Very low30.3Very low177 Ų177135.5 Ų135.578%0.77671%0.711SS**  cis-152.5138.77.7-134.4-64.5000112.8
603T30.6Very low30.2Very low100 Ų100136.4 Ų136.461%0.61372%0.715SS**  trans53.6134.9158.537.30000124.6Y605T603-Y605 HydrophobicContact CG2-CD2 3.89Å
604L25.6Very low30.1Very low172 Ų172135.5 Ų135.590%0.90172%0.718SS**  trans-94.9141.1130.9-75.2168.6000109.3
605Y30.2Very low29.7Very low219 Ų219134.9 Ų134.986%0.85971%0.714SS**  trans-159.7136.9164.4-119-80.7000111.9T603T603-Y605 HydrophobicContact CG2-CD2 3.89Å
606G28.6Very low29.5Very low54 Ų54133.8 Ų133.856%0.55772%0.717SS**  trans68.3102.6150.600000120.2N608G606-N608 PolarHBondContact O-N 3.16Å
607P30.9Very low29.5Very low138 Ų138133.8 Ų133.890%0.89672%0.718SS**  trans-76.591151.132.6-29.8000109.2
608N28.6Very low29.4Very low160 Ų160135.3 Ų135.386%0.85673%0.726SS**  trans-80.6133176.8-107-5.6000111.4G606G606-N608 PolarHBondContact O-N 3.16Å
609S24.9Very low29.5Very low93 Ų93134 Ų13465%0.6572%0.724SS**  trans-71.5144.7171.858.50000111.4
610N27.8Very low29.4Very low144 Ų144135.7 Ų135.777%0.7773%0.734SS**  165.599.7120.7-80.5-10.8000112.1
611N31Very low29.6Very low153 Ų153132.6 Ų132.682%0.81873%0.73SS**  -162.4115.1129.3-105.4-24.8000110.2
612S31.4Very low29.7Very low99 Ų99134.5 Ų134.569%0.69274%0.735SS**  26.6120.3123.8-39.90000116.8
613N30.2Very low29.8Very low141 Ų141132.1 Ų132.175%0.75473%0.73SS**  cis-148.6134.513.1-82.8-15.4000107.7
614S30.2Very low30Very low88 Ų88136.6 Ų136.662%0.61574%0.741SS**  47115.384.376.60000116.5
615N27.7Very low30.3Very low139 Ų139134.1 Ų134.174%0.74373%0.733SS**  trans59.5150.5141.5-61.629.6000118.6
616E31.3Very low30.5Very low150 Ų150129 Ų12970%0.70172%0.724SS**  cis-146.3144.4-0.7-107.9140.4-140.800106.2
617I28.8Very low30.7Very low142 Ų142133.7 Ų133.773%0.72874%0.737SS**  56.2124.184.3-62.1178.3000115.2
618N30.9Very low30.7Very low133 Ų133131.9 Ų131.971%0.71173%0.728SS**  trans76.4105.2161.1-70.9-12.4000122
619N32.9Very low30.9Very low130 Ų130130.4 Ų130.470%0.69573%0.725SS**  58.4103.9114.9-60.8-8000121
620N29.3Very low31Very low137 Ų137132.3 Ų132.373%0.73373%0.732SS**  60.5117.1114.2-7015.2000121.4
621N32.5Very low31.2Very low131 Ų131131.4 Ų131.470%0.70173%0.731SS**  trans10496.8132.6-62.96.9000120.3
622N30.8Very low31.1Very low125 Ų125133 Ų13367%0.66873%0.731SS**  102.7128.9113.1-82.148000122.8
623D31.5Very low31Very low126 Ų126132.4 Ų132.467%0.67473%0.727SS**  trans71.4113.9139.5-58.4-32.2000122.5
624K34.9Very low30.9Very low195 Ų195133.8 Ų133.885%0.84873%0.729SS**  -161.3113.8115.7-99.5140.8-167.8164.40113.8
625T32.3Very low31Very low119 Ų119137.1 Ų137.173%0.7374%0.735SS**  33.1141.6120.764.90000119.2
626V35Very low31.3Very low111 Ų111137 Ų13767%0.67374%0.739SS**  -167.9140.157.6166.20000110.6
627N31.4Very low31.2Very low153 Ų153133.3 Ų133.382%0.81874%0.741SS**  trans56.1149.8163.1-63.5-9.6000118.9
628S31.9Very low31.5Very low100 Ų100133.8 Ų133.870%0.69975%0.75SS**  cis-165-177.3-19.756.80000106.3
629T32Very low31.5Very low130 Ų130132.2 Ų132.280%0.79875%0.749SS**  cis-155.2-178.617.7-28.50000109
630V27.7Very low31.5Very low133 Ų133133.9 Ų133.981%0.80676%0.758SS**  trans-119.1142.7179.9172.70000111.3
631V30.7Very low31.5Very low124 Ų124132.9 Ų132.975%0.75275%0.752SS**  trans175.5127.1134.9148.20000111.2
632K30.4Very low31.5Very low188 Ų188136.4 Ų136.482%0.81776%0.757SS**  trans26.2146146.2-55.1-176.8179.9-174.50121
633S28.9Very low31.7Very low86 Ų86136.2 Ų136.260%0.60176%0.755SS**  cis-179.6145-6.1450000110.4
634E28.7Very low31.6Very low170 Ų170134.9 Ų134.979%0.79476%0.756SS**  trans61.7152154.6-70.7154.5-149.700118.1
635Q31.8Very low31.3Very low158 Ų158130.8 Ų130.874%0.73874%0.743SS**  cis-154.3138.18.2-132.51643300112.2
636T32.7Very low31.1Very low136 Ų136135.7 Ų135.783%0.83475%0.75SS**  trans30.3137.714955.50000124.7
637G29.8Very low30.7Very low72 Ų72141.2 Ų141.274%0.74276%0.758SS**  trans173.6123150.400000119.9
638V34.9Very low30.5Very low152 Ų152140.7 Ų140.792%0.92176%0.755SS**  trans81143.1157.6-167.90000119.5
639C30.8Very low30.4Very low100 Ų100141.5 Ų141.568%0.67676%0.76SS**  trans-129175-166-42.70000113.7
640N32.8Very low30.3Very low166 Ų166140.9 Ų140.989%0.88876%0.762SS**  trans-173.3148.8132.1-99.5-18.7000113.1
641D31Very low30.3Very low116 Ų116144 Ų14462%0.6277%0.767SS**  trans-115-178.5-165.2-54.6-76.1000115.1I643D641-I643 HydrophobicContact CB-CD1 4.44Å
642Y32.1Very low30.3Very low204 Ų204147.5 Ų147.580%0.877%0.772SS**  166.8111.3128.6-93.2-78.5000108.3
643I34.7Very low30.2Very low122 Ų122143.1 Ų143.163%0.62677%0.765SS**  78.4130.261.3-68.9169.6000112.8D641D641-I643 HydrophobicContact CB-CD1 4.44Å
644S29.6Very low30.2Very low98 Ų98149.3 Ų149.369%0.68578%0.777SS**  cis-165.4167.8-8-100.30000113.4
645N27.6Very low30.1Very low109 Ų109147.4 Ų147.458%0.58377%0.772SS**  trans-87.1177.2163.5-72.5-75.2000112.1
646Y29.3Very low29.8Very low222 Ų222148 Ų14887%0.87177%0.774SS**  trans-164139.5140.1-108.5-63.9000115.2
647W25.8Very low29.7Very low226 Ų226150.3 Ų150.386%0.85677%0.774SS**  trans-156.7-178.1156.8-135.188000109
648L28Very low29.5Very low143 Ų143156.1 Ų156.175%0.74977%0.774SS**  trans81123.7166.3-68.3162.5000119
649S28.2Very low29.1Very low116 Ų116157.8 Ų157.881%0.81177%0.772SS**  trans-78.3155.6149-47.70000110
650S31Very low29Very low118 Ų118160.2 Ų160.283%0.82578%0.777SS**  trans-113.2137.2175.5-64.30000112.8
651H27.8Very low28.9Very low197 Ų197157.3 Ų157.391%0.91277%0.77SS**  trans-110.3167.9160.4-117.2-104.6000109.2
652K30.4Very low28.9Very low198 Ų198159.1 Ų159.186%0.86178%0.78SS**  trans-71.3149.2-166.6-59.6-179.5179.2-177.20114.8
653S27.9Very low28.8Very low97 Ų97160.5 Ų160.568%0.67878%0.784SS**  trans10.8144.1148.2-41.50000119.5
654Y29.7Very low28.7Very low216 Ų216159.1 Ų159.185%0.84778%0.784SS**  -156.4174.552.1-114.5-79.4000114.6
655D26.5Very low28.9Very low130 Ų130162.7 Ų162.770%0.69579%0.794SS**  trans-82.9163.2-158.5-52.3-84.6000119.2
656H26Very low29.2Very low169 Ų169164.1 Ų164.178%0.78280%0.801SS**  trans-150.5104.2159-113.947.8000111.1
657F29.1Very low29.9Very low186 Ų186159.4 Ų159.482%0.81680%0.797SS**  -179.1162.2103.4-108.8-78.7000113.7
658Y26Very low30.2Very low193 Ų193156.7 Ų156.776%0.75779%0.794SS**  trans-79.1155.7179.5-80.6-109.6000113.4
659H27.4Very low30.6Very low188 Ų188155.2 Ų155.287%0.8779%0.794SS**  trans-139.8121145.4-120.5-80.5000109.8
660L27.7Very low30.8Very low150 Ų150155.6 Ų155.679%0.78579%0.791SS**  trans-151.6125.5176.2-97.1176.6000110.1
661S31.6Very low30.8Very low106 Ų106158 Ų15874%0.74179%0.789SS**  trans175.9148162.555.40000111
662D29.7Very low30.8Very low154 Ų154156.9 Ų156.982%0.82478%0.784SS**  cis-169.1157.3-37-142.4-35.1000108.5
663R31.5Very low30.7Very low233 Ų233154.7 Ų154.788%0.87978%0.777SS**  trans172144161.4-101.9-178.7-163.7-140.23.7111.6
664S32.2Very low30.8Very low92 Ų92159.1 Ų159.164%0.64379%0.786SS**  cis179.4118.6-27.748.40000109.7
665I34.5Very low30.6Very low173 Ų173158.8 Ų158.889%0.88778%0.784SS**  trans-139.9142.7160.2-61.7-174.5000108.6
666L33.3Very low30.6Very low139 Ų139161.6 Ų161.673%0.72879%0.786SS**  trans-96.4174.4-174.6-113.578.6000112
667P43.8Very low30.6Very low123 Ų123161.1 Ų161.180%0.79978%0.784SS**  cis-135179.129.938.7-17.8000118.5
668Q33Very low30.6Very low169 Ų169159.6 Ų159.679%0.7978%0.779SS**  trans-69.7170.3178.3-72.7178.9-21.400113.6
669P36.1Very low30.7Very low113 Ų113158.3 Ų158.373%0.73478%0.779SS**  cis-127.5-162.520.734.3-10.1000113.6
670T32.5Very low30.8Very low124 Ų124156.2 Ų156.276%0.76178%0.775SS**  cis-157.4164.521-25.30000113.3
671E29.6Very low31.7Very low168 Ų168154.3 Ų154.379%0.78577%0.771SS**  trans-48.8159.4163.1-76.8150.5-14600116.6
672E28.9Very low31.6Very low173 Ų173157.2 Ų157.281%0.80878%0.777SS**  cis-158.6-171.2-17.8-131.3-177-167.400112.3
673H27.7Very low31.9Very low153 Ų153158 Ų15871%0.70878%0.776SS**  trans-75.3141.1-172.6-60.3-76.9000115.3
674H30.7Very low32Very low189 Ų189154.4 Ų154.488%0.87577%0.769SS**  175.4151.296.6-89.8-65.7000112.2
675R25.4Very low32.2Very low210 Ų210156.8 Ų156.879%0.79277%0.77SS**  trans-121.1109.2171.1179.7-160.2-68.2-172.50.2109
676Y26.2Very low32.2Very low188 Ų188155.8 Ų155.874%0.73776%0.762SS**  169.9143.5129.8-100.8-67.6000113.6
677H26.9Very low32Very low159 Ų159155.7 Ų155.774%0.73676%0.761SS**  trans68.7152.5163.8-78.6-76.3000120.4
678H27.9Very low31.5Very low154 Ų154157.6 Ų157.671%0.71376%0.759SS**  trans67.9137.2177.5-63.5-83.3000116
679H29.2Very low31.5Very low166 Ų166157.6 Ų157.677%0.76976%0.759SS**  cis-145.8148.22.2-121.3-64.1000112
680D27.6Very low31.1Very low145 Ų145159.1 Ų159.178%0.77576%0.761SS**  trans-125163.8161.7-111.4-31.1000107.5
681P47Very low31Very low109 Ų109159.9 Ų159.971%0.70876%0.76SS**  cis-131.1164.4-32.939-26000112.8
682L30.5Very low30.9Very low167 Ų167159.2 Ų159.287%0.87476%0.757SS**  trans179141.8162.5-96.6172.5000107.2
683Q35.1Very low30.9Very low170 Ų170155.5 Ų155.579%0.79475%0.746SS**  cis-125.6163.1-11.7-77.6-173.7106.300108
684H34.9Very low30.9Very low158 Ų158154.7 Ų154.773%0.73174%0.742SS**  cis92.311232.1-135.451.7000116.1
685Q34.8Very low30.9Very low142 Ų142151.7 Ų151.766%0.66473%0.733SS**  trans72.4107.7160.7-69.7-170.1-33.500123.6
686Q34.3Very low31Very low152 Ų152150.6 Ų150.671%0.7173%0.73SS**  91.7130.6118.4-76.6-174.9-3.500123.8
687L30.3Very low31.1Very low137 Ų137149 Ų14972%0.71773%0.729SS**  trans83.3134.4142.5-73.7163.3000121.7
688Q33.7Very low31.1Very low164 Ų164149.7 Ų149.777%0.76673%0.732SS**  trans59.2111.4157.2-65.9169.14.900117.2
689Q32.2Very low31.3Very low169 Ų169148.3 Ų148.379%0.7973%0.73SS**  89.2111.558.5-82.1-167.9-3.400114.8
690L28.3Very low31.5Very low145 Ų145147 Ų14776%0.75973%0.727SS**  trans73.2149.2143.4-68.3164.3000120.1
691N29.9Very low31.6Very low139 Ų139147.5 Ų147.574%0.74373%0.729SS**  trans75.5136.4171.6-55.3-16.1000116.9
692H28.5Very low31.1Very low155 Ų155147.8 Ų147.872%0.71873%0.731SS**  cis-165.2165.5-27.2-134-64.8000108.9
693T28.4Very low30.9Very low94 Ų94143.6 Ų143.658%0.57772%0.721SS**  trans53.5114.4153.448.60000119.3
694Q27.5Very low30.5Very low136 Ų136145.2 Ų145.264%0.63673%0.725SS**  60.8125.6101-60.9172.8-39.700116.1
695N30.7Very low30.4Very low126 Ų126144.4 Ų144.467%0.67473%0.725SS**  -177.5130.290.6-90.4-61.7000108.3
696Y27.1Very low30.2Very low187 Ų187143.8 Ų143.873%0.73373%0.731SS**  61.6150.576.8-83.9-115.2000113.6
697H27.8Very low30Very low156 Ų156141.2 Ų141.272%0.72273%0.729SS**  cis179.5125.1-27.9-154.2-69.5000105.6
698E28.7Very low29.9Very low173 Ų173138.5 Ų138.581%0.80872%0.721SS**  trans-132.9133.6165.5-66.9-169.2146.400107.5
699N31.2Very low29.6Very low125 Ų125137.1 Ų137.167%0.66872%0.715SS**SBendcis-132.9149.434-81.9-83.8000115.1
700I32.5Very low29.2Very low137 Ų137135.6 Ų135.670%0.70371%0.708SS**  trans58.4100137.4-63.5164.7000116.9
701L29.6Very low29.2Very low156 Ų156135.2 Ų135.282%0.81770%0.702SS**  67.7147.682.1-90.583.7000116
702P37Very low29.1Very low115 Ų115133.8 Ų133.875%0.74769%0.693SS**  cis-134.8-179.5-19.538.5-20.2000114.7
703A27.2Very low29.4Very low80 Ų80134.7 Ų134.766%0.66170%0.698SS**  trans-79.9162.5-178.900000115.1
704F26Very low29.4Very low203 Ų203135.8 Ų135.889%0.8970%0.7SS**  171.9178.5114.4-97.6-70000111.9
705I32.5Very low29.4Very low142 Ų142136.4 Ų136.473%0.72871%0.707SS**  trans76.592.8165.2-60.5174.7000117.4
706T31.2Very low29.7Very low128 Ų128135.4 Ų135.479%0.78571%0.707SS**  trans60.9-178.6142.169.70000117.9
707C29Very low30.2Very low98 Ų98134 Ų13466%0.66271%0.707SS**  cis-138.2145.3-19-123.90000105.1
708S28.4Very low30.2Very low80 Ų80133.1 Ų133.156%0.55971%0.708SS**  45.4103.290.1-57.20000112.2
709Q27.2Very low30.8Very low136 Ų136129.5 Ų129.564%0.63670%0.7SS**  91.1143.679.7-85.5160.1-90.500111.1
710E25.5Very low30.9Very low136 Ų136129.3 Ų129.364%0.63670%0.702SS**  trans71.7153.6137.6-72.7167.6-149.500118.1
711H27Very low30.8Very low138 Ų138132.5 Ų132.564%0.63971%0.707SS**  cis-158.4-163.7-3.6-129.7-25.9000111.4
712I28.8Very low30.7Very low108 Ų108129.5 Ų129.555%0.55470%0.698SS**  trans16.6114132.6-52.7154.5000112.6
713Q34.2Very low30.6Very low175 Ų175128.6 Ų128.682%0.81869%0.694SS**  -136.9135.752.5-72172.7-2.800111.6
714N27.9Very low31Very low116 Ų116130.4 Ų130.462%0.6269%0.693SS**  61.1107.766.8-72.8-17.8000111.8
715L29Very low31.3Very low150 Ų150128.5 Ų128.579%0.78569%0.685SS**  83.2157.7101.1-72.4169.9000113.2
716P36.1Very low31.3Very low104 Ų104127.5 Ų127.568%0.67568%0.677SS**  cis-114.1-146.2-3829.3-6.3000107.1
717E36.8Very low31.6Very low159 Ų159129 Ų12974%0.74367%0.673SS**  cis-129.3164.3-2.9-75.2-153.470.900108.5
718N27.9Very low31.7Very low136 Ų136129.6 Ų129.673%0.72767%0.673SS**  cis76153.730.4-74.1-22.1000115.8
719P41.7Very low31.9Very low98 Ų98131.7 Ų131.764%0.63668%0.683SS**  cis-133.3-140.4-39.637.4-21.1000111.4
720V34.3Very low32Very low120 Ų120130.1 Ų130.173%0.72769%0.686SS**  trans90.4125.8164-174.50000117.2
721Y30.8Very low32.3Very low204 Ų204129 Ų12980%0.869%0.688SS**  cis-152.1165.9-13.4-134.4-113.6000112
722C27.4Very low32.4Very low94 Ų94129.8 Ų129.864%0.63569%0.693SS**  trans-38.8167.8172.9-50.30000117.6
723S34.5Very low32.6Very low95 Ų95132.8 Ų132.866%0.66470%0.704SS**  cis-170.3142.248.3-50.10000116.5
724N34.5Very low32.5Very low119 Ų119131.9 Ų131.964%0.63671%0.705SS**  60.3146.5129.7-58.30.1000120.5
725F33.1Very low32.6Very low162 Ų162133.5 Ų133.571%0.71171%0.714SS**  cis-171.7174.10-95.9-12.3000105.8
726E33.1Very low33.1Very low121 Ų121131.3 Ų131.357%0.56571%0.708SS**  cis-174.8-179.9-16.6-98.8-171.3144.600105.7
727K36.4Very low32.8Very low160 Ų160133.1 Ų133.170%0.69671%0.712SS**  cis-167.2174.2-3.9-115.4167.6178.2135.50106.1
728V32.3Very low32.5Very low110 Ų110133.5 Ų133.567%0.66771%0.714SS**  -166.9162.5-54.372.30000109
729T32.2Very low32.5Very low125 Ų125131.6 Ų131.677%0.76771%0.712SS**  trans66.1161.7166.556.70000120.5
730S29.7Very low32.1Very low102 Ų102132.2 Ų132.271%0.71371%0.714SS**  cis175.3168-32.679.80000108.6
731V31.5Very low31.9Very low112 Ų112133.4 Ų133.468%0.67972%0.716SS**  cis-164.4157.2-6.288.20000110.9
732Q28.9Very low31.8Very low156 Ų156130.7 Ų130.773%0.72971%0.712SS**  trans63.4166.5163.9-68.9176.618.700117.8
733Q33.5Very low32Very low170 Ų170135.9 Ų135.979%0.79472%0.719SS**  cis-147-171.716.9-144.8157.864.200112.4
734N30.7Very low31.9Very low156 Ų156139.7 Ų139.783%0.83472%0.723SS**  trans-114.1160.7-169.3-71.3-47.2000116
735N29.7Very low31.7Very low151 Ų151142.1 Ų142.181%0.80773%0.728SS**  trans-20.5164.6156.1-67.76.3000118.8
736P40Very low31.6Very low103 Ų103140.9 Ų140.967%0.66973%0.729SS**  cis-151.9-160.936.637.2-10.5000118.8
737D29.2Very low31.6Very low142 Ų142138.9 Ų138.976%0.75973%0.729SS**  trans75.8150.8156.7-57.7-23.8000120.6
738E30.7Very low31.4Very low167 Ų167137.5 Ų137.578%0.7873%0.729SS**  cis-158145.5-2.3-136.5-168.2161.800114.3
739S28.9Very low31.5Very low97 Ų97138.4 Ų138.468%0.67873%0.73SS**  trans62.7166.8149.798.90000120.3
740T32.7Very low31.4Very low111 Ų111139.1 Ų139.168%0.68173%0.729SS**  cis-156.3150.6-22.214.20000112.7
741N30.1Very low31.4Very low145 Ų145138.3 Ų138.378%0.77573%0.729SS**  trans50.2127.5151.9-60.7-40.3000121.3
742M29.7Very low31.2Very low146 Ų146140.6 Ų140.672%0.71974%0.736SS**  -168.5137.572.2-103.1-69.1-143.400114.8
743R31.7Very low31.1Very low204 Ų204138.3 Ų138.377%0.7773%0.733SS**  trans61.9116.3160.2-62.7177.5-173.2-175.30.5117.6
744K32.2Very low31.1Very low174 Ų174139 Ų13976%0.75773%0.733SS**  66.1129.972.1-69.5-170.2176.5-1710112.9
745F29.9Very low31.1Very low170 Ų170138.8 Ų138.875%0.74673%0.727SS**  cis-137.5155.922.4-90.3-88.3000114.8
746N30.1Very low31.1Very low136 Ų136139 Ų13973%0.72773%0.725SS**  trans9.6151.7141.3-60.435.7000121.5
747S34.3Very low30.7Very low80 Ų80141.6 Ų141.656%0.55973%0.734SS**  cis-170.4169-16.855.30000110.4
748D32.2Very low30.6Very low130 Ų130139.3 Ų139.370%0.69574%0.735SS**  trans63.7139.5155.5-47.6-43.7000119.3
749N32.7Very low30.7Very low129 Ų129138.7 Ų138.769%0.6974%0.736SS**  cis-155.7170-9.2-125.1-43.7000112.2
750N31Very low30.8Very low140 Ų140141.4 Ų141.475%0.74974%0.738SS**  trans-24.1135.7170-64.4-43.2000117.7
751A29.5Very low30.8Very low86 Ų86145 Ų14571%0.71175%0.745SS**  66.814883.500000114.4
752L28.6Very low30.9Very low159 Ų159145.4 Ų145.483%0.83275%0.747SS**  cis-153.4153.521.1-167.183.2000112.7
753V26.4Very low30.9Very low108 Ų108144.1 Ų144.166%0.65575%0.747SS**  trans-11.4133.3158.7178.70000119.2
754K33.2Very low30.9Very low184 Ų184143.5 Ų143.580%0.875%0.753SS**  -157140.6120.6-108.2171.5-173.8-1770113.4
755Q30.2Very low30.8Very low153 Ų153142.8 Ų142.872%0.71576%0.757SS**  trans-95173.4-178.5-89.4172-99.500112.4
756M29.1Very low30.8Very low155 Ų155144 Ų14476%0.76477%0.765SS**  trans67.7151.4165.3-83.4102.6173.100116
757D32.8Very low30.9Very low158 Ų158145.6 Ų145.685%0.84577%0.772SS**  cis-113.4174.5-1.7-76.9-62.9000112.8
758A27.3Very low30.7Very low94 Ų94151.4 Ų151.478%0.77779%0.787SS**  trans-144.6119.9179.300000112.8
759D31.4Very low30.6Very low153 Ų153155.5 Ų155.582%0.81880%0.799SS**  trans-163.7150.6164.3-103.5-46.8000106.1
760H31.6Very low30.4Very low154 Ų154152.6 Ų152.671%0.71380%0.8SS**  cis-143.2148.8-0.4-157.672000107.6
761F33.1Very low30.4Very low187 Ų187155.4 Ų155.482%0.8281%0.805SS**  trans-125.297.7-174.8-113.5-80.2000111.8V763F761-V763 HydrophobicContact CB-CG2 4.49Å; F761-V763 HydrophobicContact CD1-CG2 3.98Å; F761-V763 PolarHBondContact O-N 2.81Å; F761-V763 VanDerWaalsContact O-N 3.09Å
762D32.4Very low30.4Very low154 Ų154159.9 Ų159.982%0.82481%0.811SS**  trans-68.9102.6172.6-76.6-23.1000110.8
763V29.7Very low30.7Very low119 Ų119158.7 Ų158.772%0.72181%0.805SS**  trans-132.458175.2-165.80000111F761F761-V763 HydrophobicContact CB-CG2 4.49Å; F761-V763 HydrophobicContact CD1-CG2 3.98Å; F761-V763 PolarHBondContact O-N 2.81Å; F761-V763 VanDerWaalsContact O-N 3.09Å
764E32.1Very low30.8Very low190 Ų190160.1 Ų160.189%0.88881%0.813SS**  trans-123.998.6169.1-69-152.4129.900111.9
765D28.9Very low30.8Very low160 Ų160157.2 Ų157.286%0.85682%0.816SS**SBendtrans-168.736.3148.6-123.2-14.9000112.3
766Q30.1Very low30.9Very low195 Ų195152.6 Ų152.691%0.91181%0.81SS**  trans-143.244.1-177-77.6-16254.200116.2
767I31.2Very low31Very low169 Ų169152.6 Ų152.687%0.86781%0.813SS**  trans-134.5107.3162-54.4-179.7000111.6
768K31Very low31Very low202 Ų202152.4 Ų152.488%0.87881%0.812SS**  trans-156.679.1148.3-151.1164.6-170.1170.90113.1
769F30Very low31.2Very low216 Ų216159.5 Ų159.595%0.94782%0.818SS**  trans-159.198149.9-114.7-66000114
770G28.8Very low31.8Very low68 Ų68158.1 Ų158.170%0.70182%0.818SS**  trans79121.6141.400000120.4
771K31Very low32.4Very low199 Ų199156.2 Ų156.287%0.86582%0.819SS**  -178.1134.4124.3-105.3171-176.4178.10113.6
772E29.4Very low32.2Very low180 Ų180152.8 Ų152.884%0.84182%0.817SS**  trans-145.1121.3131.4-99.2167.8171.800104.7
773I34.2Very low32.1Very low135 Ų135152.1 Ų152.169%0.69281%0.812SS**  70.69668.7-61166.2000109.4
774V30.3Very low32.2Very low137 Ų137154.5 Ų154.583%0.8382%0.815SS**  cis86104.948.3178.20000114
775S32.6Very low31.8Very low124 Ų124151.7 Ų151.787%0.86781%0.806SS**  trans164.2143.1136.9-1670000109.4
776G31.9Very low31.7Very low56 Ų56150 Ų15058%0.57780%0.801SS**  cis173.5169-6.100000112.6
777N30.7Very low31.8Very low154 Ų154146.5 Ų146.582%0.82479%0.793SS**  trans66.3153169.2-54.3-11.5000116.7
778D33.5Very low31.6Very low155 Ų155144.6 Ų144.683%0.82979%0.789SS**  cis-122.1-175.57.2-98.1-52.9000113.7
779R32.1Very low31.4Very low243 Ų243139.2 Ų139.292%0.91778%0.777SS**  trans-127.8116.9-166.6-148.2178-168-159.42.8114.8
780P44.2Very low31.3Very low124 Ų124135.5 Ų135.581%0.80577%0.772SS**  trans-101.3154.8-178.937-34.8000115.5
781P42.9Very low31.3Very low113 Ų113136.9 Ų136.973%0.73477%0.771SS**  trans-132.9162175.842.2-28.9000117.3
782C29.1Very low31.4Very low116 Ų116133.2 Ų133.278%0.78477%0.766SS**  trans67.1151.4157.7-66.40000119.7
783I31Very low31.5Very low140 Ų140132 Ų13272%0.71876%0.762SS**  cis-161.1135.3-23.7-118.5166.9000108.8
784Q30.9Very low31.6Very low168 Ų168130.8 Ų130.879%0.78576%0.761SS**  trans59166.3167.2-69.2-165.21.600117.8
785L25Very low31.7Very low132 Ų132129.3 Ų129.369%0.69176%0.757SS**  cis-156.6157.2-23.1-114.4179.9000110.4
786T26.5Very low31.8Very low124 Ų124128.6 Ų128.676%0.76175%0.752SS**  trans65157.1151-500000120.6
787V32.6Very low32Very low122 Ų122131.2 Ų131.274%0.73976%0.757SS**  trans-70.5140.8-176.8179.20000113.5
788T26.9Very low32.3Very low129 Ų129129 Ų12979%0.79175%0.749SS**  trans140.6154.6148.546.40000109.2
789S26.8Very low32.2Very low88 Ų88128.8 Ų128.862%0.61575%0.745SS**  cis-177.6156.3-25.1-89.80000106.8
790T26.8Very low32.4Very low138 Ų138125.3 Ų125.385%0.84774%0.741SS**  trans62.7157.9159.644.40000117.7
791S29.2Very low31.9Very low97 Ų97123 Ų12368%0.67873%0.732SS**  cis-168.1-156.7-18.155.90000109.2
792T33.2Very low31.4Very low123 Ų123123.6 Ų123.676%0.75573%0.734SS**  trans92.1135.8170.272.10000117
793M32.1Very low31.5Very low153 Ų153125.9 Ų125.975%0.75474%0.735SS**  cis-155.5152.8-8.3-103.2-969300110.6
794T34.5Very low31.3Very low110 Ų110123.3 Ų123.368%0.67573%0.73SS**  trans43.4127.7152.2540000120.8
795S33.5Very low31.4Very low106 Ų106121.6 Ų121.674%0.74173%0.73SS**  cis-156.6-162.5-1.5-69.50000106.8
796S34.2Very low31.7Very low109 Ų109124 Ų12476%0.76274%0.739SS**  cis-157.9-175.56.1-143.90000107.4
797T36.6Very low32.2Very low112 Ų112124 Ų12469%0.68774%0.74SS**  cis-154.3-176.78.2-1430000111.5
798T36Very low32.1Very low107 Ų107126.3 Ų126.366%0.65674%0.743SS**  trans-45.2128.4168.210000112.8
799M32.6Very low32.2Very low150 Ų150127.4 Ų127.474%0.73974%0.739SS**  cis-142.1166.144.7-62-69.7-177.900111.2
800M35.7Very low32.3Very low170 Ų170127.6 Ų127.684%0.83774%0.74SS**  cis-157.2-167.52.8-135.6-179.5-177.400113.3
801A33.2Very low32.5Very low75 Ų75128.5 Ų128.562%0.6274%0.739SS**  trans-46.9165.6161.900000116.6
802T32.7Very low32.5Very low126 Ų126130.6 Ų130.677%0.77374%0.742SS**  cis-170.6159.3-12.635.20000107
803M31Very low32.4Very low165 Ų165132.8 Ų132.881%0.81375%0.746SS**  cis-156.1139-31.1-96.3-165.588.500110.2
804S28.4Very low32.5Very low86 Ų86131 Ų13160%0.60174%0.739SS**  57.9140.7129.9-1590000124.4
805T32.6Very low32.4Very low131 Ų131132 Ų13280%0.80474%0.74SS**  trans72.9118.1146.330.80000122.6
806Q31.7Very low32.2Very low184 Ų184131.8 Ų131.886%0.8674%0.739SS**  trans-65.9168.7148.7-93.4-174.6-18.600111.7
807P36.1Very low32.2Very low123 Ų123132.3 Ų132.380%0.79974%0.738SS**  cis-139.3-136.437.342.2-19.9000116.4
808E30.1Very low32Very low170 Ų170132.5 Ų132.579%0.79474%0.739SS**  trans-92.6169.4-148.3-53.8-174.7139.700118.2
809H30.3Very low31.7Very low153 Ų153134.2 Ų134.271%0.70874%0.743SS**  trans76.572.4150.1-87.8-62.3000122.5
810S28.7Very low31.6Very low91 Ų91133.4 Ų133.464%0.63674%0.742SS**  43.6108.7117.466.70000122.4
811L29.6Very low31.3Very low157 Ų157132.1 Ų132.182%0.82274%0.737SS**  trans-125132.4133.7-75.477.4000106.8
812L29.9Very low31.5Very low141 Ų141134.8 Ų134.874%0.73875%0.749SS**  84.986.754.6-92.3168.3000116.1
813M32Very low31.4Very low170 Ų170134.9 Ų134.984%0.83775%0.749SS**SBendtrans-141.8131.1136-82.8-157.5177.300107
814N33.3Very low31.3Very low116 Ų116132.3 Ų132.362%0.6275%0.747SS**SBendcis-143.7141.9-6.1-82.7-44.9000110.6
815N32.3Very low31.7Very low129 Ų129133.4 Ų133.469%0.6975%0.752SS**  trans52.8105.2149.9-51.3-16.6000119
816S30.1Very low31.6Very low102 Ų102134.7 Ų134.771%0.71375%0.753SS**  93.3135.491.7-65.60000113.3
817T33.1Very low31.4Very low121 Ų121131.3 Ų131.374%0.74275%0.745SS**  cis-161.1161.32.24.60000112
818T33.6Very low31Very low115 Ų115135.4 Ų135.471%0.70674%0.744SS**  trans60109.9152530000123.2
819L29.9Very low30.8Very low143 Ų143133.2 Ų133.275%0.74974%0.738SS**  66.4122120.6-66.2165.8000123.6
820N29.6Very low30.7Very low133 Ų133132 Ų13271%0.71174%0.741SS**  trans78137.7132.2-72.1-2.8000123.5
821L28.7Very low30.7Very low143 Ų143133.4 Ų133.475%0.74975%0.747SS**  trans58122.4159.4-8875.6000119.7
822P37.1Very low30.8Very low132 Ų132131.3 Ų131.386%0.85774%0.74SS**  trans-104.199.9155.334.7-24.7000111.3
823T31.2Very low30.9Very low128 Ų128131 Ų13179%0.78574%0.738SS**  trans-99.3145.2150.144.20000109.2
824S28.2Very low31Very low110 Ų110128.8 Ų128.877%0.76973%0.734SS**  trans-73.3175.9179.656.60000112.3
825P37.8Very low31Very low109 Ų109129 Ų12971%0.70874%0.735SS**  cis-132.1-151.7-3.125.80.3000112.4
826I30.2Very low31.2Very low158 Ų158128.9 Ų128.981%0.8174%0.735SS**  trans95.5143.9157.9-57.2175.1000116.9
827T28.6Very low31.3Very low113 Ų113130.6 Ų130.669%0.69374%0.736SS**  trans-102.1150-157.450.40000115.1
828R26.7Very low31.4Very low210 Ų210130.6 Ų130.679%0.79274%0.736SS**  trans80.3131.2132.7-86.3-178.6169.6164.9-1.5122
829N26.2Very low31.2Very low124 Ų124131.8 Ų131.866%0.66374%0.737SS**  85.2168.5129.6-70.26000120.7
830T27.9Very low31.5Very low126 Ų126131.7 Ų131.777%0.77374%0.736SS**  trans91.8136.8160.173.80000116
831T29.2Very low31.4Very low122 Ų122132 Ų13275%0.74874%0.738SS**  cis-151.3-174.8-14.711.50000107.7
832T31.9Very low31.3Very low113 Ų113130 Ų13069%0.69374%0.736SS**  173.5157.363.341.50000107.7
833I32Very low31.2Very low133 Ų133131.9 Ų131.968%0.68273%0.733SS**  cis-158.4149.8-4-114.5162.2000108.9
834T32.8Very low31.1Very low124 Ų124132.1 Ų132.176%0.76173%0.729SS**  trans160.4130.7139.835.70000108.2
835N33.6Very low31.1Very low121 Ų121133.9 Ų133.965%0.64773%0.729SS**  cis-151.5146.7-9.9-112.3-10.5000110.8
836N37.1Very low30.6Very low126 Ų126133.1 Ų133.167%0.67473%0.726SS**  trans61.4120.4161.3-55.7-25.4000118.5
837N33.2Very low30.7Very low139 Ų139130.2 Ų130.274%0.74372%0.72SS**  74.6137.353.7-61.7-18000112.9
838T33.3Very low30.7Very low120 Ų120132 Ų13274%0.73673%0.725SS**  cis-170.7-169.5-12.233.30000106.6
839L31Very low31.1Very low141 Ų141129 Ų12974%0.73872%0.723SS**  cis-166.3-170.76-133.8168.7000109.2
840I35.1Very low31.4Very low141 Ų141129.6 Ų129.672%0.72373%0.726SS**  trans75.195.9156.8-61148.3000120.2
841N28.7Very low31.7Very low139 Ų139130.1 Ų130.174%0.74372%0.724SS**  19.6130.6125.1-57.2-10.1000123.3
842S26.8Very low31.9Very low101 Ų101130.1 Ų130.171%0.70672%0.72SS**  trans59.7126.5131.370.20000122.2
843Q33.2Very low32.1Very low171 Ų171129.2 Ų129.280%0.79972%0.718SS**  168.4151.4110.2-90.4-173.715.400113.9
844L30.6Very low32.2Very low134 Ų134129.9 Ų129.970%0.70272%0.723SS**  trans38.7121.1151.2-79.686000123.9
845L28.4Very low32.1Very low146 Ų146130.1 Ų130.176%0.76472%0.719SS**  54.2121.1122-8971.8000123.3
846S27.1Very low32Very low94 Ų94130.9 Ų130.966%0.65772%0.719SS**  82.5131.8120.5-63.10000123
847S30.8Very low31.8Very low97 Ų97131.7 Ų131.768%0.67872%0.718SS**  trans63.6144.6141.255.10000119.9
848D28.5Very low31.4Very low151 Ų151131.2 Ų131.281%0.80772%0.716SS**  cis-167.6-166-11.5-99.6-28.9000107.5
849I36.8Very low31.2Very low146 Ų146131.9 Ų131.975%0.74971%0.71SS**  trans98.696.7160.8-52.7170.8000116.1
850N32Very low30.9Very low136 Ų136134.3 Ų134.373%0.72771%0.71SS**  42.2134.8127-45-5.1000119.6
851N33.4Very low30.7Very low137 Ų137136.1 Ų136.173%0.73371%0.713SS**  cis-157.4-173.70.1-117.537.3000107.1
852D33Very low30.7Very low122 Ų122135.7 Ų135.765%0.65271%0.711SS**  cis-138.7-17513.5-140.9-118000106.9
853S37.6Very low30.7Very low94 Ų94137.5 Ų137.566%0.65771%0.712SS**  cis-152.5-159.611.4-159.30000110.7
854L32.9Very low30.5Very low148 Ų148136.8 Ų136.878%0.77571%0.708SS**  trans-83.4148.1177.9-80.572.8000112.5
855N31.5Very low30.4Very low128 Ų128136.4 Ų136.468%0.68471%0.706SS**  cis72.314049.6-90.8-1.6000114.1
856H31.4Very low30.5Very low138 Ų138137.6 Ų137.664%0.63971%0.712SS**  cis-172.3166.6-9.2-138.9-4000110.8
857Q31.7Very low30.5Very low143 Ų143139.7 Ų139.767%0.66872%0.716SS**  trans63.5165.4146-74.1177.727.800120.2
858N26.7Very low30.6Very low129 Ų129140.3 Ų140.369%0.6972%0.72SS**  cis-160.2163.3-39.1-112.67.5000110.9
859E27.3Very low30.7Very low133 Ų133139.9 Ų139.962%0.62172%0.718SS**  trans37.8135.2151.9-66.3-157.8-164.400124.7
860R26.4Very low30.5Very low192 Ų192141 Ų14173%0.72573%0.726SS**  trans44.6116.8138.8-61.9176.9166.5134.2-12.3120.4
861F29.3Very low30.3Very low179 Ų179138.9 Ų138.979%0.78572%0.721SS**  178.6159.792.3-106.6-75.2000113.3
862N29.1Very low30.3Very low131 Ų131143.4 Ų143.470%0.70173%0.728SS**  trans33.8111.4156.4-66.8-13.1000122.6
863N27.8Very low30.2Very low139 Ų139144.9 Ų144.974%0.74373%0.734SS**  38.2137.8119.4-68.25.4000123.8
864H28.6Very low29.6Very low155 Ų155145.9 Ų145.972%0.71874%0.74SS**  trans91.4113.8146.3-78.3-60.8000121.9
865I27.7Very low29.5Very low127 Ų127146 Ų14665%0.65174%0.741SS**  trans74.6111.3136.1-60164.8000117.8
866L31.5Very low29.2Very low171 Ų171146 Ų14690%0.89574%0.741SS**  -154.4134.8106.3-104.8172000111.2
867D26Very low29Very low138 Ų138146.6 Ų146.674%0.73875%0.749SS**  trans-86.2155.9-179.8-68.5-76.5000113
868S33.7Very low28.9Very low109 Ų109144.6 Ų144.676%0.76275%0.751SS**  trans-161.692.7153.5-85.50000113.4
869N30.3Very low29Very low143 Ų143149 Ų14977%0.76576%0.764SS**  trans47.5114.2139.6-56.4-35.5000120.3
870N31.9Very low29.3Very low170 Ų170148.5 Ų148.591%0.90977%0.771SS**  -159.8156.5107.6-111.6-53.5000114
871S28.8Very low29.4Very low90 Ų90143.7 Ų143.763%0.62977%0.772SS**  trans-105.9148.7-168.860.20000114.8
872R32.5Very low29.5Very low232 Ų232146.8 Ų146.888%0.87578%0.78SS**  trans-164.6119.9140.3-99.3145.6-163.1-135.73107.9
873I32.2Very low29.5Very low154 Ų154147.9 Ų147.979%0.7978%0.779SS**  72.7126.275.9-67.9170000111.8
874C24.5Very low29.6Very low114 Ų114151.8 Ų151.877%0.7779%0.785SS**  trans-63.8147.7-176.7-46.10000112.8
875N30.2Very low30.2Very low150 Ų150150.3 Ų150.380%0.80279%0.789SS**  -159163.3129.7-118.7-37.5000115
876N26.8Very low30.2Very low129 Ų129148 Ų14869%0.6978%0.784SS**  trans-63.8170.8-168.9-58.6-52.5000117.1
877N26.9Very low30.4Very low151 Ų151149 Ų14981%0.80778%0.784SS**  trans91.2148.1151.6-62.4-25.8000120
878S28Very low30.6Very low101 Ų101146.9 Ų146.971%0.70678%0.78SS**  trans53.5100.3172.155.50000118
879F30.6Very low30.6Very low220 Ų220149 Ų14997%0.96578%0.781SS**  trans-126.5108.8136.8-113-84.5000109.4
880T32.3Very low30.7Very low124 Ų124152.4 Ų152.476%0.76179%0.785SS**  trans-90.5152.8-179.438.20000111.9
881A29.7Very low30.6Very low91 Ų91148.3 Ų148.375%0.75278%0.775SS**  trans24.5117.4155.700000119.1K883A881-K883 PolarHBondContact O-N 3.2Å
882Y30.2Very low30.8Very low244 Ų244148.8 Ų148.896%0.95778%0.778SS**PPolyproline II helixtrans-58128.2162-96.6-89.3000111.2
883K30.4Very low30.7Very low154 Ų154145.3 Ų145.367%0.6778%0.777SS**PPolyproline II helixtrans-92.3123.2-166.1176.9177.7179.9179.20111.8A881 S886A881-K883 PolarHBondContact O-N 3.2Å; K883-S886 WeakPolarHBondContact CE-OG 3.35Å; K883-S886 PolarHBondContact NZ-OG 2.91Å
884Y28.2Very low30.6Very low221 Ų221144.1 Ų144.187%0.86778%0.781SS**PPolyproline II helixtrans-80.9150152.4-89-91.1000109.4
885P41.7Very low31.1Very low124 Ų124147.9 Ų147.981%0.80579%0.787SS**PPolyproline II helixtrans-73.3155-155.727.8-35.3000114.5
886S27.7Very low31Very low79 Ų79149 Ų14955%0.55279%0.792SS**  trans-122.1120.9-165.757.90000113.1K883K883-S886 WeakPolarHBondContact CE-OG 3.35Å; K883-S886 PolarHBondContact NZ-OG 2.91Å
887Q36.7Very low31.1Very low190 Ų190151 Ų15189%0.88880%0.802SS**  trans-148.6149.9158.4-73.1-174.9-1400108.2
888S29.7Very low31.6Very low94 Ų94149.1 Ų149.166%0.65780%0.798SS**  cis178.5141.9-47.641.90000108.2
889I33.4Very low31.9Very low154 Ų154150.2 Ų150.279%0.7980%0.8SS**  trans79.1114160.9-62.5157.2000117.9
890Y32.1Very low32Very low215 Ų215148.4 Ų148.484%0.84379%0.792SS**  trans45.9111145.3-78.4-103.1000123.3
891A29.2Very low31.8Very low84 Ų84149.4 Ų149.469%0.69479%0.793SS**  73.6139.6114.700000123.2
892S33.4Very low32.4Very low100 Ų100149.6 Ų149.670%0.69979%0.786SS**  trans82.692.4149.5-59.20000121
893N31.2Very low32.5Very low159 Ų159146.2 Ų146.285%0.8578%0.779SS**  85.2152126.5-61.1-6.6000121.1
894C29.4Very low32.8Very low129 Ų129146.2 Ų146.287%0.87278%0.782SS**PPolyproline II helixtrans-70.2152.1-175.4-57.90000113.1
895Q34.7Very low32.9Very low192 Ų192145.2 Ų145.290%0.89778%0.776SS**PPolyproline II helixtrans-74.7139.7178.7-63.7172.8-4800112
896L28.6Very low32.5Very low173 Ų173145.9 Ų145.991%0.90677%0.769SS**PPolyproline II helixtrans-97.6165.3156.9-77.7172000110.2
897L29.3Very low32.8Very low171 Ų171149 Ų14990%0.89577%0.774SS**PPolyproline II helixtrans-71.1151.6-176.6-68.5162.6000112.7
898P36.3Very low32.7Very low113 Ų113145.2 Ų145.273%0.73476%0.764SS**PPolyproline II helixtrans-97.8161.2-175.937.9-35.6000114.4
899V34.2Very low32.7Very low124 Ų124146.1 Ų146.175%0.75277%0.766SS**  trans165.3131.8131.7153.20000113.4
900F33.1Very low32.4Very low182 Ų182144.4 Ų144.480%0.79877%0.766SS**  trans1.4130.4159.1-60.6-101.4000120.6
901N28.3Very low32.4Very low144 Ų144138.5 Ų138.577%0.7776%0.757SS**  66.3147.658.2-151.542.5000114.5
902P42.8Very low32.5Very low95 Ų95141.6 Ų141.662%0.61776%0.761SS**  -136178.6-64.541.2-26.1000114.8
903Q32.9Very low32.3Very low173 Ų173145.2 Ų145.281%0.80877%0.767SS**  trans166134.3131.5-95.9-174.3400116.1
904H34.9Very low32.2Very low155 Ų155142.7 Ų142.772%0.71876%0.762SS**  trans61.1150144.4-89-115.5000120.7
905R30.9Very low32.2Very low199 Ų199145 Ų14575%0.75176%0.76SS**  cis-166.6165.33.7-154.3-178.9-166.5170.71111.7
906Q34.6Very low32.1Very low139 Ų139147.5 Ų147.565%0.6576%0.763SS**  trans73.4146.3162.3-55.3-170.8-17.600116.4
907Q34Very low32Very low143 Ų143143.9 Ų143.967%0.66875%0.752SS**  cis-172.6156.2-7.4-112.5151.3-143.600108
908T33.2Very low31.9Very low111 Ų111143 Ų14368%0.68175%0.747SS**  cis-170.8162-14.914.20000112.4
909T31.3Very low31.8Very low113 Ų113144.2 Ų144.269%0.69375%0.748SS**  trans61.8120.4146.753.50000124.6
910C26.8Very low32.1Very low118 Ų118147.3 Ų147.380%0.79775%0.754SS**  64.5157.6124.1-53.40000120.8
911S31.1Very low31.8Very low91 Ų91145 Ų14564%0.63675%0.749SS**  cis-162.7159.32-128.40000114.5
912D30.9Very low32.1Very low149 Ų149144 Ų14480%0.79775%0.751SS**  trans64.8-175144-58-46.1000123.1
913Q29.5Very low31.4Very low177 Ų177143.4 Ų143.483%0.82775%0.746SS**  trans-128.4179.8-144.9-57.6-174.4-47.500115.3
914S30Very low31.1Very low106 Ų106141.8 Ų141.874%0.74174%0.743SS**  trans71.9113.2154.253.90000120.1
915E29.5Very low31Very low176 Ų176139.1 Ų139.182%0.82274%0.742SS**  trans29.7115.1133.3-59-179128.500119.7
916Y32.4Very low30.9Very low245 Ų245133.8 Ų133.896%0.96173%0.734SS**  -141.4151.3127.7-115.9-83.2000109.8
917S25.5Very low30.9Very low98 Ų98133.9 Ų133.969%0.68574%0.738SS**  trans-109178.4-167-51.30000114.1
918L27.6Very low30.7Very low151 Ų151133 Ų13379%0.79174%0.738SS**  trans91.2151.3161.1-101.666.5000119.4
919D35.2Very low30.3Very low140 Ų140134.5 Ų134.575%0.74974%0.742SS**  trans54.7105.8166-53.3-20000117.5
920Q39Very low30.1Very low188 Ų188135.1 Ų135.188%0.87975%0.746SS**  cis-136138.426.5-66.2-178-400114.5
921L27.2Very low30.3Very low133 Ų133136.1 Ų136.170%0.69674%0.741SS**  trans-96.2159.2154.9-67.9156.4000108.5T923L921-T923 HydrophobicContact CB-CG2 3.94Å; L921-T923 WeakPolarHBondContact CB-OG1 3.32Å; L921-T923 HydrophobicContact CD1-CG2 3.86Å; L921-T923 HydrophobicContact CD2-CG2 4.24Å; L921-T923 HydrophobicContact CG-CG2 4.23Å
922P35.1Very low30.1Very low123 Ų123140 Ų14080%0.79975%0.749SS**  -123.7139.7102.1-0.221000110.7
923T27.4Very low30.2Very low83 Ų83140.2 Ų140.251%0.50975%0.749SS.*  cis50.1130.617.266.80000114.4L921L921-T923 HydrophobicContact CB-CG2 3.94Å; L921-T923 WeakPolarHBondContact CB-OG1 3.32Å; L921-T923 HydrophobicContact CD1-CG2 3.86Å; L921-T923 HydrophobicContact CD2-CG2 4.24Å; L921-T923 HydrophobicContact CG-CG2 4.23Å
924N28.2Very low30Very low140 Ų140137.3 Ų137.375%0.74975%0.747SS**  cis-142.2178.827-76.2-79.8000108.9
925S32.5Very low30.5Very low99 Ų99137.8 Ų137.869%0.69275%0.748SS**  cis-143159.314.561.60000109.3
926S27.7Very low30.7Very low86 Ų86138 Ų13860%0.60175%0.749SS**  cis61.9141.445.4-143.50000110.9
927I35.6Very low30.6Very low141 Ų141134.1 Ų134.172%0.72374%0.744SS**  cis-151142.944.5-77.6172.8000111.7
928N30.4Very low31.1Very low124 Ų124134.6 Ų134.666%0.66374%0.744SS**  trans19.2133.7148.8-45.9-2.7000122.5
929D24.4Very low31.5Very low144 Ų144133 Ų13377%0.7774%0.741SS**  30.3153121.2-56.9-54.2000124
930T26.7Very low31.3Very low126 Ų126132 Ų13277%0.77375%0.745SS**  trans96.2141.7151.5-17.60000117.7
931I31Very low30.7Very low138 Ų138129.9 Ų129.971%0.70874%0.74SS**  trans71.598.1168-50-171.1000113.3
932Q27Very low30.8Very low172 Ų172129.9 Ų129.980%0.80474%0.74SS**  62.3111.890.6-152.4177.413.300111.3
933I32.5Very low30.4Very low154 Ų154129.1 Ų129.179%0.7973%0.733SS**  -167.9141.297.7-87.3151.8000110
934C26Very low30.6Very low117 Ų117134.6 Ų134.679%0.79175%0.75SS**  trans-105.3158.3161.8-62.10000107.5
935P38.8Very low30.5Very low115 Ų115132.7 Ų132.775%0.74775%0.747SS**  cis-141.7-161.446.733.6-6.7000112.2
936E34.1Very low30.3Very low182 Ų182132.4 Ų132.485%0.8575%0.746SS**  cis-142.7-178.523.9-71-167.9130.900115.2
937L30.4Very low30.4Very low163 Ų163139.8 Ų139.885%0.85376%0.76SS**  trans-73.5-177.2-179.1-96.965.6000114.4
938P36.8Very low30.1Very low107 Ų107137.7 Ų137.770%0.69576%0.758SS**  cis-125.2-179.2-10.827.5-3.8000112.2
939T34.8Very low30.1Very low119 Ų119137.6 Ų137.673%0.7377%0.767SS**  cis-158.4152.441.937.40000113.8
940S32.5Very low30.5Very low117 Ų117134.8 Ų134.882%0.81876%0.764SS**  trans58.8130.3156570000120.5
941N26.1Very low30.7Very low145 Ų145136.1 Ų136.178%0.77577%0.766SS**  trans-148.6156.1-176.6-142.3-7.1000110.4
942L28.1Very low30.7Very low132 Ų132135.6 Ų135.669%0.69177%0.77SS**  trans48.8115.9151.4-66164.4000122.4
943T26.7Very low31Very low108 Ų108133.7 Ų133.766%0.66377%0.77SS**  trans59.2130.613068.20000122.3
944K32Very low30.7Very low197 Ų197131 Ų13186%0.85777%0.765SS**  175.4133.8101.4-94.9166.2-173.6172.90115.1
945S26Very low31.2Very low100 Ų100133.2 Ų133.270%0.69977%0.767SS**  trans45.2119.1138.5-156.60000123.2
946S28.3Very low30.7Very low94 Ų94134.7 Ų134.766%0.65777%0.769SS**  trans72.7138.6130.165.80000123.3
947R30.6Very low30.6Very low241 Ų241135 Ų13591%0.90977%0.769SS**  trans73.1152.1163.3-65175.3178.5173.9-1.8117.4
948S29.7Very low30.5Very low97 Ų97131.5 Ų131.568%0.67876%0.757SS**  cis-174.7137.4-32.850.20000111.6
949S29.4Very low30.2Very low121 Ų121133.2 Ų133.285%0.84676%0.761SS**  trans58.3114.6149.4-48.60000122.6
950A33.5Very low30Very low86 Ų86132 Ų13271%0.71176%0.758SS**  trans176.8119.7140.100000106.9
951D29.7Very low29.7Very low153 Ų153133.7 Ų133.782%0.81876%0.757SS**  55.4115.176.6-59.1-43000111.7
952T31.4Very low30.1Very low128 Ų128134.4 Ų134.479%0.78576%0.76SS**  cis-144.6175.724.948.40000109.8
953V33.6Very low30.4Very low132 Ų132135.2 Ų135.280%0.876%0.763SS**  cis-157.9156.447.3177.10000110.4
954S27Very low30.3Very low98 Ų98137 Ų13769%0.68577%0.768SS**  trans-64163.8174.9-44.90000114.1
955I35Very low30.2Very low162 Ų162134.4 Ų134.483%0.83176%0.762SS**  -163.4149.987.1-88.2159.4000110.4
956N29.3Very low30.4Very low147 Ų147137.1 Ų137.179%0.78676%0.763SS**  trans-88.1131.1177.4-41.3-70.2000112.7
957H32.5Very low30.4Very low188 Ų188137.3 Ų137.387%0.8776%0.757SS**  -159.7168126.6-126.570000113.2
958C27.2Very low30.6Very low89 Ų89135.4 Ų135.460%0.60176%0.755SS**  trans-136.2145.7-175.750.50000112
959N31Very low30.6Very low143 Ų143135.3 Ų135.377%0.76575%0.75SS**  trans145140137-72.2-27.1000113.3
960S29.6Very low30.8Very low95 Ų95134.8 Ų134.866%0.66475%0.746SS**  trans37.2126.7149.155.30000120.3
961D27.7Very low30.7Very low152 Ų152138.1 Ų138.181%0.81375%0.747SS**  cis-156.7157.92.5-76.7-45.7000109.1
962I34.2Very low30.6Very low160 Ų160137.4 Ų137.482%0.82175%0.753SS**  trans-175.9132.9145.8-101.7155.1000113.4
963I33.5Very low30.5Very low148 Ų148136.2 Ų136.276%0.75975%0.746SS**  trans22.2101.4149.3-44.2178.4000119.9
964L25.4Very low30.6Very low147 Ų147139.6 Ų139.677%0.7775%0.752SS**  24151122.7-143.174.6000123
965I29.4Very low31Very low142 Ų142143.8 Ų143.873%0.72876%0.761SS**  trans64.5145.3166.330.9-177.1000116.8
966H31.3Very low30.7Very low157 Ų157140.4 Ų140.473%0.72775%0.752SS**  cis-144.4132.234.2-141.8-134.6000109.5
967N28.5Very low30.8Very low98 Ų98140.2 Ų140.252%0.52475%0.751SS.*  81.7131.865.6-169.616000115.5
968K33.8Very low30.7Very low200 Ų200137.9 Ų137.987%0.8774%0.74SS**  trans-168.5114.9151.3-105.1164.7-176.3178.40107.6
969V29.9Very low30.7Very low95 Ų95145 Ų14558%0.57676%0.756SS**  cis8210849.7177.80000113.7Q971V969-Q971 HydrophobicContact CG1-CG 4.43Å
970S32.6Very low30.8Very low110 Ų110144.5 Ų144.577%0.76975%0.749SS**  trans-165.8101.1136.9-87.80000107
971Q32.2Very low30.8Very low156 Ų156147.5 Ų147.573%0.72975%0.752SS**  75.7106.483.3-76.9-172.8-1.700115.1V969V969-Q971 HydrophobicContact CG1-CG 4.43Å
972C26.5Very low31.1Very low138 Ų138149.6 Ų149.693%0.93275%0.754SS**  trans-121.3149.2137.2-72.20000107.9
973T30.7Very low30.9Very low104 Ų104146.8 Ų146.864%0.63875%0.748SS**  trans-126.1136.4-165.850.60000112
974H34.8Very low31Very low202 Ų202148.2 Ų148.294%0.93575%0.752SS**  trans-139.1136.9150.4-85-69.6000109.9
975Q34.9Very low31Very low187 Ų187149.2 Ų149.287%0.87476%0.757SS**  trans-93.8132.6-176.4-72.4168.6-43.200111.1
976S29.2Very low31.1Very low91 Ų91150.7 Ų150.764%0.63677%0.765SS**  48.9121.2122.4-162.50000119.7
977N31.4Very low30.9Very low142 Ų142147.4 Ų147.476%0.75976%0.76SS**  -162.2139.798.3-92.3-18.2000114.1
978H31.5Very low30.9Very low139 Ų139149 Ų14964%0.64477%0.768SS**  trans17.7126.4156.4-74.4-95.5000120.9H980H978-H980 AromaticContact ND1-CD2 3.99Å
979Y27.1Very low30.8Very low238 Ų238146 Ų14693%0.93376%0.762SS**  -141.6160.3101.4-114.2-81.4000111.1
980H32.5Very low30.7Very low134 Ų134148.6 Ų148.662%0.6278%0.778SS**  trans-99.9158.3-163.2-126.4-102000114.8H978H978-H980 AromaticContact ND1-CD2 3.99Å
981Q29.8Very low30.4Very low158 Ų158152 Ų15274%0.73878%0.782SS**  trans-18.1142.5162.5-59.4162.7-41.600117.7
982K34Very low30.2Very low195 Ų195149.2 Ų149.285%0.84878%0.779SS**  -148.9121.7103.6-157.2171.3-174.9-179.80112.2
983S28.8Very low30.4Very low101 Ų101151 Ų15171%0.70678%0.776SS**  trans-97.2134.4170.452.10000110.4
984Q35.5Very low30.2Very low179 Ų179154.1 Ų154.184%0.83679%0.789SS**  trans-137.6148.3147.5-78.5-161.7-39.500109.3
985L27.2Very low30Very low168 Ų168153.4 Ų153.488%0.8878%0.783SS**  trans-87.5149.4178.6-50.397000109.7
986I31.6Very low29.5Very low172 Ų172150.2 Ų150.288%0.88278%0.781SS**  trans-151.7133.1131-97.3145.9000105.6
987S26.8Very low29.3Very low89 Ų89155.5 Ų155.562%0.62279%0.789SS**  trans-81.5156.6173.252.30000110.4
988N27.1Very low29Very low132 Ų132155.5 Ų155.571%0.70679%0.789SS**  -179.2169.6113.8-909.1000111.9
989D32.2Very low28.8Very low136 Ų136155 Ų15573%0.72780%0.798SS**  trans64.762.3158.1-48.8-22.3000118.3E991D989-E991 VanDerWaalsContact C-N 3.32Å
990T29.1Very low28.9Very low149 Ų149147.2 Ų147.291%0.91478%0.778SS**  trans-94.853.8149.139.70000111.2S992T990-S992 PolarHBondContact O-N 3.17Å
991E25.6Very low28.7Very low182 Ų182147.4 Ų147.485%0.8578%0.778SS**  trans-91.581.3174.7-72.9-146.5136.900112.7D989D989-E991 VanDerWaalsContact C-N 3.32Å
992S28Very low28.9Very low98 Ų98148.3 Ų148.369%0.68578%0.775SS**  trans-157.5166.215161.60000110.2T990T990-S992 PolarHBondContact O-N 3.17Å
993M30.3Very low28.9Very low174 Ų174139.1 Ų139.186%0.85774%0.736SS**  trans71.144.5-177.7-50.1-56.6174.100116.8
994N27.2Very low29.3Very low170 Ų170137 Ų13791%0.90972%0.719SS**  trans-129.751.1156.7-99.1-38000112.4S996N994-S996 PolarHBondContact O-N 3.26Å
995K30.2Very low29.8Very low188 Ų188131.7 Ų131.782%0.81770%0.696SS**  trans-74.3116.2159.2-88.2-173.3173.9179.70108.2Y997K995-Y997 PolarHBondContact O-N 2.77Å
996S24.7Very low30.6Very low119 Ų119125.8 Ų125.883%0.83267%0.667SS**  trans-62.2101.5177.3-173.30000110.7N994 N998N994-S996 PolarHBondContact O-N 3.26Å; S996-N998 PolarHBondContact O-N 3.1Å
997Y24.2Very low31Very low203 Ų203120.4 Ų120.480%0.79665%0.645SS**  trans-69.3107.4170.7-94.4-92.4000108.7K995 P999K995-Y997 PolarHBondContact O-N 2.77Å; Y997-P999 WeakPolarHBondContact O-CD 3.39Å
998N26Very low31.6Very low141 Ų141121.6 Ų121.675%0.75465%0.649SS**  trans-76.6103.7177.3-153.4-27.6000108.8S996 S1000S996-N998 PolarHBondContact O-N 3.1Å; N998-S1000 PolarHBondContact O-N 3.12Å
999P27.6Very low32.3Very low129 Ų129118.2 Ų118.284%0.83863%0.633SS**  trans-90.850.7-159.337.3-32.6000111.3Y997Y997-P999 WeakPolarHBondContact O-CD 3.39Å
1000S28.6Very low32.8Very low75 Ų75118.3 Ų118.352%0.52463%0.633SS.*  trans-150.692.6-175.1-173.20000110.6N998N998-S1000 PolarHBondContact O-N 3.12Å
1001F28.9Very low33.7Very low138 Ų138117.4 Ų117.461%0.60562%0.618SS**  trans-173.149.6142.3-73.6-38.3000111.2F1142F1001-F1142 HydrophobicContact CD1-CD1 4.33Å; F1001-F1142 AromaticContact CD1-CE1 3.53Å; F1001-F1142 HydrophobicContact CD1-CE1 3.53Å; F1001-F1142 AromaticContact CD1-CE2 3.86Å; F1001-F1142 HydrophobicContact CD1-CE2 3.86Å; F1001-F1142 AromaticContact CD1-CZ 3.24Å; F1001-F1142 HydrophobicContact CD1-CZ 3.24Å; F1001-F1142 HydrophobicContact CD2-CZ 4.18Å; F1001-F1142 HydrophobicContact CE1-CD2 4.03Å; F1001-F1142 AromaticContact CE1-CE1 3.79Å; F1001-F1142 HydrophobicContact CE1-CE1 3.79Å; F1001-F1142 AromaticContact CE1-CE2 3.19Å; F1001-F1142 HydrophobicContact CE1-CE2 3.19Å; F1001-F1142 AromaticContact CE1-CZ 3.01Å; F1001-F1142 HydrophobicContact CE1-CZ 3.01Å; F1001-F1142 AromaticContact CE2-CZ 3.97Å; F1001-F1142 HydrophobicContact CE2-CZ 3.97Å; F1001-F1142 HydrophobicContact CG-CE1 4.11Å; F1001-F1142 AromaticContact CG-CZ 3.88Å; F1001-F1142 HydrophobicContact CG-CZ 3.88Å; F1001-F1142 HydrophobicContact CZ-CE1 4.49Å; F1001-F1142 AromaticContact CZ-CE2 3.59Å; F1001-F1142 HydrophobicContact CZ-CE2 3.59Å; F1001-F1142 AromaticContact CZ-CZ 3.42Å; F1001-F1142 HydrophobicContact CZ-CZ 3.42Å; F1001-F1142 VanDerWaalsContact CZ-CZ 3.42Å
1002Y32.9Very low35.2Very low176 Ų176116.6 Ų116.669%0.6961%0.614SS**  trans-78.9128.6169.2-105.4-76.7000111.2T1006Y1002-T1006 WeakPolarHBondContact CD1-OG1 3.25Å
1003C34.2Very low37Very low2 Ų2114.8 Ų114.81%0.01461%0.611CS.*  trans-61.1134.8159.4-123.90000109.1I1005 T1006 S1007 Q1026 F1139C1003-I1005 PolarHBondContact O-N 2.73Å; C1003-T1006 HydrophobicContact CB-CG2 3.92Å; C1003-T1006 PolarHBondContact O-N 2.85Å; C1003-T1006 VanDerWaalsContact O-N 3.12Å; C1003-T1006 PolarHBondContact O-OG1 3.22Å; C1003-T1006 VanDerWaalsContact O-OG1 3.14Å; C1003-S1007 PolarHBondContact O-OG 2.92Å; C1003-Q1026 VanDerWaalsContact CB-OE1 3.29Å; C1003-Q1026 PolarHBondContact SG-OE1 2.95Å; C1003-F1139 WeakPolarHBondContact SG-CE2 3.33Å
1004P36.7Very low39.7Very low56 Ų56113.7 Ų113.736%0.36460%0.603SS.*THydrogen-bonded Turntrans-60.8-15.9174.1-25.735.7000114.2
1005I47.8Very low42.8Very low69 Ų69106.6 Ų106.635%0.35457%0.565SS.*THydrogen-bonded Turntrans-75.6-34178.7-49.9159.7000111.5C1003 T1009 I1102C1003-I1005 PolarHBondContact O-N 2.73Å; I1005-T1009 PolarHBondContact O-OG1 2.84Å; I1005-T1009 VanDerWaalsContact O-OG1 3.13Å; I1005-I1102 HydrophobicContact CD1-CB 4.26Å; I1005-I1102 HydrophobicContact CD1-CD1 3.73Å; I1005-I1102 HydrophobicContact CD1-CG1 3.61Å; I1005-I1102 HydrophobicContact CD1-CG2 3.65Å; I1005-I1102 HydrophobicContact CG1-CG2 4.08Å
1006T43.5Very low45.9Very low43 Ų43100 Ų10026%0.26454%0.537SS..THydrogen-bonded Turntrans-105.4-15.6-16260.70000113.8Y1002 C1003 E1023Y1002-T1006 WeakPolarHBondContact CD1-OG1 3.25Å; C1003-T1006 HydrophobicContact CB-CG2 3.92Å; C1003-T1006 PolarHBondContact O-N 2.85Å; C1003-T1006 VanDerWaalsContact O-N 3.12Å; C1003-T1006 PolarHBondContact O-OG1 3.22Å; C1003-T1006 VanDerWaalsContact O-OG1 3.14Å; T1006-E1023 HydrophobicContact CG2-CG 3.64Å
1007S39Very low49.3Very low60 Ų6094.8 Ų94.842%0.4250%0.5SS..SBendtrans-85.4-15.4-173.424.40000114.9C1003C1003-S1007 PolarHBondContact O-OG 2.92Å
1008T40.3Very low52.7Low114 Ų11485.5 Ų85.570%0.69946%0.463SS*.SBendtrans-123.8-7.7-168.554.60000114.5
1009T41.5Very low56Low60 Ų6080.6 Ų80.637%0.36844%0.436SS..  trans-112102.1-167.758.90000112.7I1005 H1011I1005-T1009 PolarHBondContact O-OG1 2.84Å; I1005-T1009 VanDerWaalsContact O-OG1 3.13Å; T1009-H1011 VanDerWaalsContact CB-CD2 3.46Å; T1009-H1011 WeakPolarHBondContact CB-CD2 3.42Å; T1009-H1011 PolarHBondContact O-N 3.12Å
1010N43.6Very low59.3Low139 Ų13974.4 Ų74.474%0.74340%0.396SS*.  trans-68.243.7164.2-81.1-39.5000112.1H1012N1010-H1012 PolarHBondContact O-N 3.12Å; N1010-H1012 PolarHBondContact O-ND1 3.18Å; N1010-H1012 PolarHBondContact OD1-CE1 3.22Å; N1010-H1012 VanDerWaalsContact OD1-CE1 3.28Å
1011H47.6Very low62.6Low130 Ų13070.9 Ų70.960%0.60237%0.371SS*.  trans-74.147.7-179.5-71.9-14.2000112.7T1009 G1013 H1014T1009-H1011 VanDerWaalsContact CB-CD2 3.46Å; T1009-H1011 WeakPolarHBondContact CB-CD2 3.42Å; T1009-H1011 PolarHBondContact O-N 3.12Å; H1011-G1013 PolarHBondContact O-N 3.4Å; H1011-H1014 PolarHBondContact O-N 3.37Å
1012H57.1Low65.8Low165 Ų16564.7 Ų64.776%0.76434%0.344SS*.  trans-55.7-7.8-176.7-73.397.5000115.6N1010N1010-H1012 PolarHBondContact O-N 3.12Å; N1010-H1012 PolarHBondContact O-ND1 3.18Å; N1010-H1012 PolarHBondContact OD1-CE1 3.22Å; N1010-H1012 VanDerWaalsContact OD1-CE1 3.28Å
1013G65.5Low68.7Low59 Ų5958.3 Ų58.361%0.60832%0.321SS*.SBendtrans-100-49.3172.600000115.1H1011 K1059H1011-G1013 PolarHBondContact O-N 3.4Å; G1013-K1059 PolarHBondContact O-NZ 3.01Å
1014H86.1Confident71.7Confident152 Ų15258.9 Ų58.970%0.70432%0.323SS*.  trans-125.342.9-154-154.5-84.5000116.5H1011H1011-H1014 PolarHBondContact O-N 3.37Å
1015I93.7Very high74.6Confident21 Ų2156.8 Ų56.811%0.10831%0.309CS..  trans-70.1137.4159.7-172.4169.6000111.7Q1019 F1020 E1023 W1055 R1058 K1059I1015-Q1019 HydrophobicContact CD1-CB 4.41Å; I1015-Q1019 HydrophobicContact CG1-CB 3.91Å; I1015-F1020 HydrophobicContact CD1-CB 3.82Å; I1015-F1020 HydrophobicContact CG1-CB 4.22Å; I1015-E1023 WeakPolarHBondContact CD1-OE1 3.44Å; I1015-E1023 WeakPolarHBondContact CD1-OE2 3.21Å; I1015-W1055 HydrophobicContact CG2-CZ3 4.13Å; I1015-R1058 HydrophobicContact CG2-CG 4.08Å; I1015-K1059 HydrophobicContact CG2-CD 3.72Å; I1015-K1059 PolarHBondContact O-NZ 2.69Å
1016Q94.7Very high76.8Confident49 Ų4956.4 Ų56.423%0.22931%0.306CS..  trans-86.9158.1171.9-56.5-165.631.200112W1018 Q1019 F1020Q1016-W1018 PolarHBondContact O-N 3.21Å; Q1016-W1018 VanDerWaalsContact OE1-NE1 3.08Å; Q1016-Q1019 HydrophobicContact CB-CG 4.3Å; Q1016-Q1019 VanDerWaalsContact CB-OE1 3.3Å; Q1016-Q1019 PolarHBondContact O-N 3.28Å; Q1016-F1020 PolarHBondContact O-N 3.06Å
1017L96.6Very high79.2Confident9 Ų956.9 Ų56.95%0.04731%0.306CS..Hα-helixtrans-61.8-40.5-178172.763000112.6Q1019 F1020 L1021 W1055 L1069 L1073 Y1076L1017-Q1019 VanDerWaalsContact C-N 3.34Å; L1017-Q1019 PolarHBondContact O-N 3.02Å; L1017-F1020 HydrophobicContact CD1-CD1 4.18Å; L1017-F1020 PolarHBondContact O-N 3.22Å; L1017-L1021 HydrophobicContact CD1-CD1 3.96Å; L1017-L1021 HydrophobicContact CD1-CG 4.05Å; L1017-L1021 HydrophobicContact CG-CD1 3.95Å; L1017-L1021 HydrophobicContact CG-CG 4.47Å; L1017-L1021 VanDerWaalsContact O-CG 3.29Å; L1017-L1021 WeakPolarHBondContact O-CG 3.47Å; L1017-L1021 PolarHBondContact O-N 2.84Å; L1017-W1055 HydrophobicContact CB-CH2 4.03Å; L1017-W1055 HydrophobicContact CB-CZ2 3.73Å; L1017-W1055 HydrophobicContact CD1-CD2 3.84Å; L1017-W1055 HydrophobicContact CD1-CE3 4.35Å; L1017-W1055 HydrophobicContact CD1-CG 4.02Å; L1017-W1055 HydrophobicContact CD1-CZ2 4.24Å; L1017-L1069 HydrophobicContact CD1-CD1 4.03Å; L1017-L1069 HydrophobicContact CD1-CG 3.92Å; L1017-L1069 HydrophobicContact CD2-CG 4.25Å; L1017-L1073 HydrophobicContact CD2-CD2 4.41Å; L1017-L1073 HydrophobicContact CD2-CG 4.42Å; L1017-Y1076 HydrophobicContact CB-CE2 4.02Å; L1017-Y1076 HydrophobicContact CD2-CE2 4.18Å; L1017-Y1076 HydrophobicContact CG-CE2 4.19Å; L1017-Y1076 PolarHBondContact N-OH 2.94Å
1018W95.7Very high81.7Confident8 Ų859.2 Ų59.23%0.0332%0.32CS..Hα-helixtrans-67.7-33.5179.274.9-98.8000112.7Q1016 L1022 Y1076 I1081 I1082 F1094 L1101 Q1105Q1016-W1018 PolarHBondContact O-N 3.21Å; Q1016-W1018 VanDerWaalsContact OE1-NE1 3.08Å; W1018-L1022 HydrophobicContact CZ3-CD2 4.11Å; W1018-L1022 WeakPolarHBondContact O-CB 3.48Å; W1018-L1022 PolarHBondContact O-N 3.08Å; W1018-Y1076 HydrophobicContact CB-CD2 4.42Å; W1018-Y1076 HydrophobicContact CB-CE2 3.89Å; W1018-Y1076 AromaticContact CD1-CE1 3.79Å; W1018-Y1076 AromaticContact CD1-CZ 3.71Å; W1018-Y1076 PolarHBondContact N-OH 3.31Å; W1018-I1081 HydrophobicContact CB-CG2 3.95Å; W1018-I1081 HydrophobicContact CD2-CG2 4.2Å; W1018-I1081 HydrophobicContact CG-CG2 3.81Å; W1018-I1082 HydrophobicContact CB-CD1 3.86Å; W1018-F1094 HydrophobicContact CB-CE1 4.24Å; W1018-F1094 HydrophobicContact CE3-CE1 4.31Å; W1018-L1101 HydrophobicContact CH2-CB 3.82Å; W1018-L1101 WeakPolarHBondContact CH2-O 3.39Å; W1018-L1101 HydrophobicContact CZ2-CB 4.44Å; W1018-L1101 HydrophobicContact CZ3-CB 3.87Å; W1018-Q1105 HydrophobicContact CH2-CG 4.14Å; W1018-Q1105 HydrophobicContact CZ2-CG 3.65Å
1019Q95.3Very high84.3Confident38 Ų3860.4 Ų60.418%0.17832%0.318CS..Hα-helixtrans-67.2-47.6174.6-69166.2-35.100110.5I1015 Q1016 L1017 L1021 L1022 E1023 Q1105I1015-Q1019 HydrophobicContact CD1-CB 4.41Å; I1015-Q1019 HydrophobicContact CG1-CB 3.91Å; Q1016-Q1019 HydrophobicContact CB-CG 4.3Å; Q1016-Q1019 VanDerWaalsContact CB-OE1 3.3Å; Q1016-Q1019 PolarHBondContact O-N 3.28Å; L1017-Q1019 VanDerWaalsContact C-N 3.34Å; L1017-Q1019 PolarHBondContact O-N 3.02Å; Q1019-L1021 VanDerWaalsContact C-N 3.33Å; Q1019-L1021 PolarHBondContact O-N 3.23Å; Q1019-L1022 CarbonylContact O-C 3.6Å; Q1019-L1022 WeakPolarHBondContact O-CB 3.48Å; Q1019-L1022 PolarHBondContact O-N 3.23Å; Q1019-L1022 VanDerWaalsContact O-N 3.08Å; Q1019-E1023 WeakPolarHBondContact O-CG 3.43Å; Q1019-E1023 PolarHBondContact O-N 3.19Å; Q1019-Q1105 VanDerWaalsContact NE2-OE1 3.08Å
1020F96.7Very high86.9Confident0 Ų057.5 Ų57.50%030%0.3CS..Hα-helixtrans-56.5-45.2174.3165.5-95.6000112.2I1015 Q1016 L1017 L1022 E1023 E1024 V1051 R1054 W1055 R1058I1015-F1020 HydrophobicContact CD1-CB 3.82Å; I1015-F1020 HydrophobicContact CG1-CB 4.22Å; Q1016-F1020 PolarHBondContact O-N 3.06Å; L1017-F1020 HydrophobicContact CD1-CD1 4.18Å; L1017-F1020 PolarHBondContact O-N 3.22Å; F1020-L1022 VanDerWaalsContact C-N 3.29Å; F1020-L1022 PolarHBondContact O-N 2.97Å; F1020-E1023 WeakPolarHBondContact O-CB 3.32Å; F1020-E1023 PolarHBondContact O-N 3.25Å; F1020-E1024 HydrophobicContact CD1-CG 4.4Å; F1020-E1024 HydrophobicContact CD2-CG 4.11Å; F1020-E1024 HydrophobicContact CE1-CG 3.9Å; F1020-E1024 HydrophobicContact CE2-CG 3.61Å; F1020-E1024 WeakPolarHBondContact CE2-OE1 3.16Å; F1020-E1024 HydrophobicContact CG-CG 4.48Å; F1020-E1024 HydrophobicContact CZ-CG 3.47Å; F1020-E1024 VanDerWaalsContact CZ-CG 3.47Å; F1020-E1024 VanDerWaalsContact O-CG 3.29Å; F1020-E1024 WeakPolarHBondContact O-CG 3.04Å; F1020-E1024 PolarHBondContact O-N 2.81Å; F1020-V1051 HydrophobicContact CE1-CG1 4.1Å; F1020-R1054 HydrophobicContact CE2-CB 4.36Å; F1020-R1054 HydrophobicContact CZ-CB 3.83Å; F1020-W1055 HydrophobicContact CB-CE3 3.65Å; F1020-W1055 HydrophobicContact CB-CZ3 3.54Å; F1020-W1055 HydrophobicContact CD1-CB 4.07Å; F1020-W1055 HydrophobicContact CD1-CD2 4.12Å; F1020-W1055 AromaticContact CD1-CE3 3.59Å; F1020-W1055 HydrophobicContact CD1-CE3 3.59Å; F1020-W1055 HydrophobicContact CD1-CG 4.35Å; F1020-W1055 HydrophobicContact CD1-CZ3 4.34Å; F1020-W1055 AromaticContact CD2-CE3 3.9Å; F1020-W1055 HydrophobicContact CD2-CE3 3.9Å; F1020-W1055 HydrophobicContact CD2-CZ3 4.45Å; F1020-W1055 HydrophobicContact CE1-CB 3.57Å; F1020-W1055 HydrophobicContact CE1-CE3 4.24Å; F1020-W1055 HydrophobicContact CE1-CG 4.32Å; F1020-W1055 HydrophobicContact CE2-CE3 4.49Å; F1020-W1055 HydrophobicContact CG-CD2 4.37Å; F1020-W1055 AromaticContact CG-CE3 3.4Å; F1020-W1055 HydrophobicContact CG-CE3 3.4Å; F1020-W1055 AromaticContact CG-CZ3 3.86Å; F1020-W1055 HydrophobicContact CG-CZ3 3.86Å; F1020-W1055 HydrophobicContact CZ-CB 3.87Å; F1020-W1055 VanDerWaalsContact CZ-N 3.27Å; F1020-R1058 HydrophobicContact CD2-CB 4.2Å; F1020-R1058 HydrophobicContact CD2-CG 4.1Å; F1020-R1058 HydrophobicContact CE2-CB 4.18Å; F1020-R1058 HydrophobicContact CE2-CG 4.48Å
1021L97.4Very high89.3Confident0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-64.2-35.4176.6-69.3166.3000112L1017 Q1019 L1025 I1034 F1043 L1045 V1051 L1073 I1082L1017-L1021 HydrophobicContact CD1-CD1 3.96Å; L1017-L1021 HydrophobicContact CD1-CG 4.05Å; L1017-L1021 HydrophobicContact CG-CD1 3.95Å; L1017-L1021 HydrophobicContact CG-CG 4.47Å; L1017-L1021 VanDerWaalsContact O-CG 3.29Å; L1017-L1021 WeakPolarHBondContact O-CG 3.47Å; L1017-L1021 PolarHBondContact O-N 2.84Å; Q1019-L1021 VanDerWaalsContact C-N 3.33Å; Q1019-L1021 PolarHBondContact O-N 3.23Å; L1021-L1025 VanDerWaalsContact O-CB 3.24Å; L1021-L1025 WeakPolarHBondContact O-CB 3.27Å; L1021-L1025 WeakPolarHBondContact O-CD1 3.15Å; L1021-L1025 WeakPolarHBondContact O-CG 3.36Å; L1021-L1025 PolarHBondContact O-N 3.27Å; L1021-I1034 HydrophobicContact CB-CD1 4.49Å; L1021-I1034 HydrophobicContact CD2-CD1 3.69Å; L1021-F1043 HydrophobicContact CD1-CZ 4.46Å; L1021-L1045 HydrophobicContact CD2-CD2 4.2Å; L1021-V1051 HydrophobicContact CD2-CG1 3.77Å; L1021-L1073 HydrophobicContact CD1-CD2 3.54Å; L1021-I1082 HydrophobicContact CD1-CD1 4.19Å
1022L95.3Very high91.6Very high8 Ų854.9 Ų54.94%0.04229%0.286CS..Hα-helixtrans-71.6-28.5176-173.860.9000112.8W1018 Q1019 F1020 Q1026 W1036 F1094 L1098W1018-L1022 HydrophobicContact CZ3-CD2 4.11Å; W1018-L1022 WeakPolarHBondContact O-CB 3.48Å; W1018-L1022 PolarHBondContact O-N 3.08Å; Q1019-L1022 CarbonylContact O-C 3.6Å; Q1019-L1022 WeakPolarHBondContact O-CB 3.48Å; Q1019-L1022 PolarHBondContact O-N 3.23Å; Q1019-L1022 VanDerWaalsContact O-N 3.08Å; F1020-L1022 VanDerWaalsContact C-N 3.29Å; F1020-L1022 PolarHBondContact O-N 2.97Å; L1022-Q1026 WeakPolarHBondContact O-CG 3.49Å; L1022-Q1026 PolarHBondContact O-NE2 3.13Å; L1022-W1036 HydrophobicContact CD1-CH2 4.19Å; L1022-W1036 HydrophobicContact CD1-CZ2 4.07Å; L1022-F1094 HydrophobicContact CB-CZ 4.25Å; L1022-L1098 HydrophobicContact CD1-CD1 4.07Å; L1022-L1098 HydrophobicContact CD1-CD2 3.82Å; L1022-L1098 HydrophobicContact CD2-CD2 4.09Å
1023E95.3Very high93.6Very high43 Ų4348.4 Ų48.420%0.20126%0.256CS..Hα-helixtrans-71.6-49.8171.5-74.1173.7-164.700112T1006 I1015 Q1019 F1020 L1025 Q1026 D1027 R1058T1006-E1023 HydrophobicContact CG2-CG 3.64Å; I1015-E1023 WeakPolarHBondContact CD1-OE1 3.44Å; I1015-E1023 WeakPolarHBondContact CD1-OE2 3.21Å; Q1019-E1023 WeakPolarHBondContact O-CG 3.43Å; Q1019-E1023 PolarHBondContact O-N 3.19Å; F1020-E1023 WeakPolarHBondContact O-CB 3.32Å; F1020-E1023 PolarHBondContact O-N 3.25Å; E1023-L1025 PolarHBondContact O-N 3.39Å; E1023-Q1026 WeakPolarHBondContact O-CA 3.24Å; E1023-Q1026 WeakPolarHBondContact O-CB 3.24Å; E1023-Q1026 PolarHBondContact O-N 3.13Å; E1023-D1027 PolarHBondContact O-N 3.19Å; E1023-R1058 IonicContact OE2-CZ 2.61Å; E1023-R1058 IonicContact OE2-NH1 3.71Å; E1023-R1058 PolarHBondContact OE2-NH1 3.19Å; E1023-R1058 IonicContact OE2-NH2 3.82Å; E1023-R1058 PolarHBondContact OE2-NH2 3.2Å
1024E97Very high95.1Very high13 Ų1345.7 Ų45.76%0.06123%0.227CC..Hα-helixtrans-64-21.2175.2-57.5-83.7149.100111.5F1020 Q1026 A1030 I1034 R1054 R1058F1020-E1024 HydrophobicContact CD1-CG 4.4Å; F1020-E1024 HydrophobicContact CD2-CG 4.11Å; F1020-E1024 HydrophobicContact CE1-CG 3.9Å; F1020-E1024 HydrophobicContact CE2-CG 3.61Å; F1020-E1024 WeakPolarHBondContact CE2-OE1 3.16Å; F1020-E1024 HydrophobicContact CG-CG 4.48Å; F1020-E1024 HydrophobicContact CZ-CG 3.47Å; F1020-E1024 VanDerWaalsContact CZ-CG 3.47Å; F1020-E1024 VanDerWaalsContact O-CG 3.29Å; F1020-E1024 WeakPolarHBondContact O-CG 3.04Å; F1020-E1024 PolarHBondContact O-N 2.81Å; E1024-Q1026 VanDerWaalsContact C-N 3.29Å; E1024-A1030 HydrophobicContact CB-CB 4.08Å; E1024-A1030 WeakPolarHBondContact O-CB 3.27Å; E1024-I1034 HydrophobicContact CB-CG2 3.68Å; E1024-R1054 IonicContact OE1-NH1 2.75Å; E1024-R1054 WeakPolarHBondContact OE2-CD 3.41Å; E1024-R1054 IonicContact OE2-CZ 3.05Å; E1024-R1054 IonicContact OE2-NE 3.51Å; E1024-R1054 IonicContact OE2-NH1 2.78Å; E1024-R1054 PolarHBondContact OE2-NH1 3.05Å; E1024-R1058 IonicContact OE1-NH2 3.15Å
1025L96.6Very high95.6Very high13 Ų1339.3 Ų39.37%0.06820%0.2CC..THydrogen-bonded Turntrans-830.3171-80.8166.9000114.6L1021 E1023 I1034 W1036 F1043 F1094L1021-L1025 VanDerWaalsContact O-CB 3.24Å; L1021-L1025 WeakPolarHBondContact O-CB 3.27Å; L1021-L1025 WeakPolarHBondContact O-CD1 3.15Å; L1021-L1025 WeakPolarHBondContact O-CG 3.36Å; L1021-L1025 PolarHBondContact O-N 3.27Å; E1023-L1025 PolarHBondContact O-N 3.39Å; L1025-I1034 HydrophobicContact CD1-CD1 4.11Å; L1025-I1034 HydrophobicContact CD2-CD1 4.2Å; L1025-I1034 HydrophobicContact CD2-CG1 3.76Å; L1025-I1034 HydrophobicContact CG-CD1 3.79Å; L1025-I1034 HydrophobicContact CG-CG1 3.91Å; L1025-W1036 HydrophobicContact CB-CZ2 3.67Å; L1025-W1036 HydrophobicContact CD1-CH2 3.85Å; L1025-W1036 HydrophobicContact CD1-CZ2 3.84Å; L1025-W1036 HydrophobicContact CD1-CZ3 4.18Å; L1025-W1036 HydrophobicContact CD2-CD2 3.97Å; L1025-W1036 HydrophobicContact CD2-CG 4.1Å; L1025-W1036 HydrophobicContact CD2-CZ2 4.38Å; L1025-W1036 HydrophobicContact CG-CZ2 4.18Å; L1025-W1036 PolarHBondContact O-NE1 3.14Å; L1025-F1043 HydrophobicContact CD1-CB 3.69Å; L1025-F1043 HydrophobicContact CD1-CD1 4.05Å; L1025-F1043 HydrophobicContact CD1-CD2 3.99Å; L1025-F1043 HydrophobicContact CD1-CG 3.67Å; L1025-F1043 HydrophobicContact CD2-CB 3.81Å; L1025-F1043 HydrophobicContact CG-CB 4.4Å; L1025-F1094 HydrophobicContact CD1-CE2 3.91Å
1026Q93.7Very high95.8Very high61 Ų6140.9 Ų40.929%0.28521%0.205SC..THydrogen-bonded Turntrans-112.8-29.9172.6-71.9170.673.900112.2C1003 L1022 E1023 E1024 P1028C1003-Q1026 VanDerWaalsContact CB-OE1 3.29Å; C1003-Q1026 PolarHBondContact SG-OE1 2.95Å; L1022-Q1026 WeakPolarHBondContact O-CG 3.49Å; L1022-Q1026 PolarHBondContact O-NE2 3.13Å; E1023-Q1026 WeakPolarHBondContact O-CA 3.24Å; E1023-Q1026 WeakPolarHBondContact O-CB 3.24Å; E1023-Q1026 PolarHBondContact O-N 3.13Å; E1024-Q1026 VanDerWaalsContact C-N 3.29Å; Q1026-P1028 WeakPolarHBondContact O-CD 3.36Å
1027D94.2Very high95.8Very high52 Ų5240.7 Ų40.728%0.27821%0.207SC..  trans-61.7117.4171.2174.216000111E1023 E1029 A1030 R1054E1023-D1027 PolarHBondContact O-N 3.19Å; D1027-E1029 VanDerWaalsContact C-N 3.27Å; D1027-E1029 PolarHBondContact O-N 3.38Å; D1027-E1029 WeakPolarHBondContact OD1-CB 3.42Å; D1027-E1029 PolarHBondContact OD1-N 2.91Å; D1027-A1030 HydrophobicContact CB-CB 3.75Å; D1027-A1030 VanDerWaalsContact CG-N 3.33Å; D1027-A1030 PolarHBondContact O-N 3.05Å; D1027-A1030 VanDerWaalsContact OD2-CB 3.28Å; D1027-A1030 WeakPolarHBondContact OD2-CB 3.42Å; D1027-A1030 PolarHBondContact OD2-N 3.28Å; D1027-A1030 VanDerWaalsContact OD2-N 3.14Å; D1027-R1054 IonicContact OD2-NH1 3.66Å; D1027-R1054 PolarHBondContact OD2-NH1 3.48Å
1028P92.8Very high95.6Very high109 Ų10941.7 Ų41.771%0.70822%0.219SC*.SBendtrans-68.4-24.3176.429.5-34.9000112.9Q1026 N1031Q1026-P1028 WeakPolarHBondContact O-CD 3.36Å; P1028-N1031 WeakPolarHBondContact O-CB 3.49Å; P1028-N1031 PolarHBondContact O-N 3.18Å
1029E94Very high95.3Very high139 Ų13948.4 Ų48.465%0.6525%0.245SC*.SBendtrans-76.8-28.1176.6-55.6-173.7174.400111.6D1027 N1031D1027-E1029 VanDerWaalsContact C-N 3.27Å; D1027-E1029 PolarHBondContact O-N 3.38Å; D1027-E1029 WeakPolarHBondContact OD1-CB 3.42Å; D1027-E1029 PolarHBondContact OD1-N 2.91Å; E1029-N1031 PolarHBondContact O-N 2.94Å
1030A95.4Very high95Very high0 Ų054 Ų540%027%0.272CS..G310 helixtrans-71.3-14.7173.300000114E1024 D1027 E1032 F1033 I1034E1024-A1030 HydrophobicContact CB-CB 4.08Å; E1024-A1030 WeakPolarHBondContact O-CB 3.27Å; D1027-A1030 HydrophobicContact CB-CB 3.75Å; D1027-A1030 VanDerWaalsContact CG-N 3.33Å; D1027-A1030 PolarHBondContact O-N 3.05Å; D1027-A1030 VanDerWaalsContact OD2-CB 3.28Å; D1027-A1030 WeakPolarHBondContact OD2-CB 3.42Å; D1027-A1030 PolarHBondContact OD2-N 3.28Å; D1027-A1030 VanDerWaalsContact OD2-N 3.14Å; A1030-E1032 PolarHBondContact O-N 3.23Å; A1030-F1033 PolarHBondContact O-N 2.9Å; A1030-I1034 HydrophobicContact CB-CG2 4.19Å; A1030-I1034 PolarHBondContact O-N 3.37Å
1031N95.1Very high94.8Very high83 Ų8356 Ų5644%0.44428%0.282SS..G310 helixtrans-56-26.6-175.4-174.112.3000113.1P1028 E1029 I1034 S1035 K1046P1028-N1031 WeakPolarHBondContact O-CB 3.49Å; P1028-N1031 PolarHBondContact O-N 3.18Å; E1029-N1031 PolarHBondContact O-N 2.94Å; N1031-I1034 WeakPolarHBondContact CA-O 3.43Å; N1031-S1035 VanDerWaalsContact OD1-CB 3.22Å; N1031-S1035 WeakPolarHBondContact OD1-CB 3.29Å; N1031-K1046 VanDerWaalsContact O-CD 3.31Å; N1031-K1046 WeakPolarHBondContact O-CD 3.48Å; N1031-K1046 WeakPolarHBondContact O-CE 3.36Å; N1031-K1046 PolarHBondContact O-NZ 3.03Å; N1031-K1046 PolarHBondContact OD1-NZ 2.97Å
1032E96.1Very high94.8Very high131 Ų13156.4 Ų56.461%0.61228%0.284SS*.G310 helixtrans-64.8-37.5173.3-175.2168.5-145.500112.6A1030 K1046A1030-E1032 PolarHBondContact O-N 3.23Å; E1032-K1046 WeakPolarHBondContact O-CB 3.4Å; E1032-K1046 WeakPolarHBondContact O-CD 3.47Å
1033F97.5Very high94.9Very high29 Ų2956 Ų5613%0.12728%0.282CS..THydrogen-bonded Turntrans-96.5-32-172.8-41.4-65000112.8A1030 L1045 K1046 E1047 Q1050 V1051A1030-F1033 PolarHBondContact O-N 2.9Å; F1033-L1045 CarbonylContact O-C 3.52Å; F1033-K1046 PolarHBondContact O-N 3.42Å; F1033-E1047 HydrophobicContact CB-CB 4.35Å; F1033-E1047 HydrophobicContact CD1-CB 4.12Å; F1033-E1047 HydrophobicContact CD1-CG 4.22Å; F1033-E1047 PolarHBondContact O-N 3.03Å; F1033-Q1050 HydrophobicContact CB-CB 4.13Å; F1033-Q1050 HydrophobicContact CD1-CB 3.56Å; F1033-Q1050 HydrophobicContact CD1-CG 3.65Å; F1033-Q1050 HydrophobicContact CE1-CB 4.28Å; F1033-Q1050 HydrophobicContact CE1-CG 4.03Å; F1033-Q1050 HydrophobicContact CG-CB 3.9Å; F1033-Q1050 HydrophobicContact CG-CG 4.48Å; F1033-V1051 HydrophobicContact CB-CG2 3.83Å; F1033-V1051 WeakPolarHBondContact O-CG2 3.5Å
1034I98.3Very high95Very high1 Ų158.3 Ų58.31%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-147.5132.7-179.7179.7172.6000110.2L1021 E1024 L1025 A1030 N1031 F1043 K1044 L1045 V1051L1021-I1034 HydrophobicContact CB-CD1 4.49Å; L1021-I1034 HydrophobicContact CD2-CD1 3.69Å; E1024-I1034 HydrophobicContact CB-CG2 3.68Å; L1025-I1034 HydrophobicContact CD1-CD1 4.11Å; L1025-I1034 HydrophobicContact CD2-CD1 4.2Å; L1025-I1034 HydrophobicContact CD2-CG1 3.76Å; L1025-I1034 HydrophobicContact CG-CD1 3.79Å; L1025-I1034 HydrophobicContact CG-CG1 3.91Å; A1030-I1034 HydrophobicContact CB-CG2 4.19Å; A1030-I1034 PolarHBondContact O-N 3.37Å; N1031-I1034 WeakPolarHBondContact CA-O 3.43Å; I1034-F1043 HydrophobicContact CD1-CD2 3.98Å; I1034-F1043 HydrophobicContact CD1-CE2 4.28Å; I1034-F1043 HydrophobicContact CG1-CD2 4.29Å; I1034-K1044 WeakPolarHBondContact CA-O 3.29Å; I1034-L1045 HydrophobicContact CB-CD2 4.34Å; I1034-L1045 HydrophobicContact CD1-CD2 3.67Å; I1034-L1045 HydrophobicContact CG1-CD2 3.99Å; I1034-V1051 HydrophobicContact CB-CG2 3.84Å; I1034-V1051 HydrophobicContact CG2-CG2 4.14Å
1035S97.2Very high95.1Very high18 Ų1857.7 Ų57.713%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-144.7156.6176.882.60000112.8N1031 F1043 K1044 K1046N1031-S1035 VanDerWaalsContact OD1-CB 3.22Å; N1031-S1035 WeakPolarHBondContact OD1-CB 3.29Å; S1035-F1043 CarbonylContact O-C 3.59Å; S1035-F1043 VanDerWaalsContact O-CA 3.27Å; S1035-F1043 WeakPolarHBondContact O-CA 3.35Å; S1035-F1043 WeakPolarHBondContact O-CB 3.14Å; S1035-K1044 PolarHBondContact N-O 3.24Å; S1035-K1044 PolarHBondContact O-N 3.48Å; S1035-K1046 VanDerWaalsContact OG-CE 3.26Å; S1035-K1046 WeakPolarHBondContact OG-CE 3.33Å
1036W96.6Very high95.1Very high55 Ų5561.6 Ų61.621%0.20831%0.305CS..EExtended strand (participates in β ladder)trans-59.1147.7157.9-57.7102.1000109.8L1022 L1025 F1043 F1094 L1098L1022-W1036 HydrophobicContact CD1-CH2 4.19Å; L1022-W1036 HydrophobicContact CD1-CZ2 4.07Å; L1025-W1036 HydrophobicContact CB-CZ2 3.67Å; L1025-W1036 HydrophobicContact CD1-CH2 3.85Å; L1025-W1036 HydrophobicContact CD1-CZ2 3.84Å; L1025-W1036 HydrophobicContact CD1-CZ3 4.18Å; L1025-W1036 HydrophobicContact CD2-CD2 3.97Å; L1025-W1036 HydrophobicContact CD2-CG 4.1Å; L1025-W1036 HydrophobicContact CD2-CZ2 4.38Å; L1025-W1036 HydrophobicContact CG-CZ2 4.18Å; L1025-W1036 PolarHBondContact O-NE1 3.14Å; W1036-F1043 HydrophobicContact CE3-CB 4.09Å; W1036-F1043 HydrophobicContact CZ3-CB 4.33Å; W1036-F1094 HydrophobicContact CH2-CD2 4.01Å; W1036-F1094 HydrophobicContact CH2-CE2 4.04Å; W1036-F1094 HydrophobicContact CZ3-CD2 4.13Å; W1036-F1094 HydrophobicContact CZ3-CE2 4.41Å; W1036-L1098 HydrophobicContact CH2-CD1 4.3Å
1037T95Very high95.3Very high45 Ų4562.7 Ų62.728%0.27631%0.31SS..  trans-90.2-17.4178.459.20000113.5Y1039 E1042 K1044 V1091T1037-Y1039 PolarHBondContact OG1-N 3.13Å; T1037-E1042 HydrophobicContact CG2-CG 3.92Å; T1037-E1042 WeakPolarHBondContact CG2-OE1 3.18Å; T1037-E1042 PolarHBondContact N-O 3.03Å; T1037-E1042 WeakPolarHBondContact OG1-CB 3.39Å; T1037-E1042 WeakPolarHBondContact OG1-CG 3.31Å; T1037-E1042 PolarHBondContact OG1-O 2.94Å; T1037-E1042 PolarHBondContact OG1-OE1 2.96Å; T1037-K1044 HydrophobicContact CG2-CB 3.9Å; T1037-V1091 HydrophobicContact CG2-CG1 4.25Å
1038G91.5Very high95.5Very high29 Ų2960.9 Ų60.930%0.29930%0.301SS..SBendtrans105.2-26.6-170.900000113.1
1039Y90.8Very high95.7Very high150 Ų15060.9 Ų60.959%0.58830%0.295SS*.SBendtrans-80.3154.3173.6-56.6-81.4000111.5T1037 N1041 E1042T1037-Y1039 PolarHBondContact OG1-N 3.13Å; Y1039-N1041 PolarHBondContact O-N 3.45Å; Y1039-N1041 VanDerWaalsContact O-N 3.16Å; Y1039-E1042 PolarHBondContact O-N 3.4Å
1040E88.8Confident95.9Very high156 Ų15657.5 Ų57.573%0.72928%0.28SS*.THydrogen-bonded Turntrans-54118.8-172.4-66.9-162.612800113E1042 R1093E1040-E1042 PolarHBondContact O-N 2.85Å; E1040-R1093 WeakPolarHBondContact O-CD 3.31Å
1041N92.7Very high96Very high42 Ų4257.5 Ų57.523%0.22528%0.28CS..THydrogen-bonded Turntrans52.112.9-178.8-62.2-28.5000115.2Y1039 R1093 F1094Y1039-N1041 PolarHBondContact O-N 3.45Å; Y1039-N1041 VanDerWaalsContact O-N 3.16Å; N1041-R1093 HydrophobicContact CB-CG 4.14Å; N1041-R1093 CarbonylContact O-C 3.35Å; N1041-R1093 VanDerWaalsContact O-CA 3.29Å; N1041-R1093 WeakPolarHBondContact O-CA 3.47Å; N1041-F1094 HydrophobicContact CB-CB 4.12Å; N1041-F1094 WeakPolarHBondContact CB-O 3.32Å; N1041-F1094 PolarHBondContact O-N 2.99Å
1042E96.4Very high96.2Very high7 Ų753.6 Ų53.63%0.03326%0.258CS..EExtended strand (participates in β ladder)trans-91.1123.9-177.5-176.9-174.7110.500110.4T1037 Y1039 E1040 V1085 K1088 V1091 Y1092 R1093T1037-E1042 HydrophobicContact CG2-CG 3.92Å; T1037-E1042 WeakPolarHBondContact CG2-OE1 3.18Å; T1037-E1042 PolarHBondContact N-O 3.03Å; T1037-E1042 WeakPolarHBondContact OG1-CB 3.39Å; T1037-E1042 WeakPolarHBondContact OG1-CG 3.31Å; T1037-E1042 PolarHBondContact OG1-O 2.94Å; T1037-E1042 PolarHBondContact OG1-OE1 2.96Å; Y1039-E1042 PolarHBondContact O-N 3.4Å; E1040-E1042 PolarHBondContact O-N 2.85Å; E1042-V1085 HydrophobicContact CG-CG2 4.15Å; E1042-K1088 IonicContact OE1-NZ 3.51Å; E1042-K1088 PolarHBondContact OE1-NZ 3.35Å; E1042-K1088 IonicContact OE2-NZ 2.65Å; E1042-K1088 PolarHBondContact OE2-NZ 3.4Å; E1042-V1091 HydrophobicContact CG-CG1 3.32Å; E1042-V1091 WeakPolarHBondContact OE1-CG1 3.11Å; E1042-Y1092 CarbonylContact C-O 3.19Å; E1042-Y1092 WeakPolarHBondContact CA-O 3.12Å; E1042-R1093 HydrophobicContact CB-CB 4.45Å
1043F97.7Very high96.2Very high0 Ų053 Ų530%026%0.256CS..EExtended strand (participates in β ladder)trans-125151.6179.468.2-85.7000112.4L1021 L1025 I1034 S1035 W1036 L1045 I1082 V1091 Y1092 F1094L1021-F1043 HydrophobicContact CD1-CZ 4.46Å; L1025-F1043 HydrophobicContact CD1-CB 3.69Å; L1025-F1043 HydrophobicContact CD1-CD1 4.05Å; L1025-F1043 HydrophobicContact CD1-CD2 3.99Å; L1025-F1043 HydrophobicContact CD1-CG 3.67Å; L1025-F1043 HydrophobicContact CD2-CB 3.81Å; L1025-F1043 HydrophobicContact CG-CB 4.4Å; I1034-F1043 HydrophobicContact CD1-CD2 3.98Å; I1034-F1043 HydrophobicContact CD1-CE2 4.28Å; I1034-F1043 HydrophobicContact CG1-CD2 4.29Å; S1035-F1043 CarbonylContact O-C 3.59Å; S1035-F1043 VanDerWaalsContact O-CA 3.27Å; S1035-F1043 WeakPolarHBondContact O-CA 3.35Å; S1035-F1043 WeakPolarHBondContact O-CB 3.14Å; W1036-F1043 HydrophobicContact CE3-CB 4.09Å; W1036-F1043 HydrophobicContact CZ3-CB 4.33Å; F1043-L1045 HydrophobicContact CE2-CD2 4.39Å; F1043-I1082 HydrophobicContact CE1-CG1 4.4Å; F1043-I1082 HydrophobicContact CE1-CG2 4.31Å; F1043-I1082 HydrophobicContact CZ-CD1 4.17Å; F1043-I1082 HydrophobicContact CZ-CG1 4.5Å; F1043-I1082 HydrophobicContact CZ-CG2 4.23Å; F1043-V1091 WeakPolarHBondContact O-CA 3.36Å; F1043-Y1092 HydrophobicContact CE2-CD2 4.29Å; F1043-Y1092 HydrophobicContact CE2-CG 4.37Å; F1043-Y1092 VanDerWaalsContact CZ-CB 3.46Å; F1043-Y1092 HydrophobicContact CZ-CG 4.23Å; F1043-Y1092 PolarHBondContact N-O 3.48Å; F1043-Y1092 PolarHBondContact O-N 3.04Å; F1043-Y1092 VanDerWaalsContact O-O 3.1Å; F1043-F1094 AromaticContact CD1-CD2 3.75Å; F1043-F1094 HydrophobicContact CD1-CD2 3.75Å; F1043-F1094 AromaticContact CD1-CE2 3.62Å; F1043-F1094 HydrophobicContact CD1-CE2 3.62Å; F1043-F1094 AromaticContact CE1-CD2 3.59Å; F1043-F1094 HydrophobicContact CE1-CD2 3.59Å; F1043-F1094 AromaticContact CE1-CE2 3.36Å; F1043-F1094 HydrophobicContact CE1-CE2 3.36Å; F1043-F1094 HydrophobicContact CE1-CG 4.46Å; F1043-F1094 HydrophobicContact CE1-CZ 4.1Å; F1043-F1094 HydrophobicContact CZ-CE2 4.13Å
1044K97.8Very high96.2Very high92 Ų9255 Ų5540%0.426%0.262SS..EExtended strand (participates in β ladder)trans-119.5131.2178-174.7175178.9-174.90109.7I1034 S1035 T1037 K1046 V1091I1034-K1044 WeakPolarHBondContact CA-O 3.29Å; S1035-K1044 PolarHBondContact N-O 3.24Å; S1035-K1044 PolarHBondContact O-N 3.48Å; T1037-K1044 HydrophobicContact CG2-CB 3.9Å; K1044-K1046 PolarHBondContact O-N 3.38Å; K1044-V1091 HydrophobicContact CB-CG2 3.97Å; K1044-V1091 HydrophobicContact CD-CG2 4.08Å; K1044-V1091 HydrophobicContact CG-CG2 3.83Å
1045L98.2Very high96.2Very high0 Ų056.2 Ų56.20%027%0.267CS..EExtended strand (participates in β ladder)trans-76.9104.6161.2-49.2172.5000106.5L1021 F1033 I1034 F1043 P1048 V1051 Y1066 L1069 L1073 Y1090 Y1092L1021-L1045 HydrophobicContact CD2-CD2 4.2Å; F1033-L1045 CarbonylContact O-C 3.52Å; I1034-L1045 HydrophobicContact CB-CD2 4.34Å; I1034-L1045 HydrophobicContact CD1-CD2 3.67Å; I1034-L1045 HydrophobicContact CG1-CD2 3.99Å; F1043-L1045 HydrophobicContact CE2-CD2 4.39Å; L1045-P1048 HydrophobicContact CB-CB 4.19Å; L1045-P1048 HydrophobicContact CB-CG 4.01Å; L1045-P1048 HydrophobicContact CD1-CB 4.34Å; L1045-V1051 HydrophobicContact CD2-CB 4.24Å; L1045-V1051 HydrophobicContact CD2-CG1 3.96Å; L1045-V1051 HydrophobicContact CD2-CG2 4.07Å; L1045-Y1066 HydrophobicContact CD1-CD2 4.22Å; L1045-Y1066 HydrophobicContact CD1-CE2 3.74Å; L1045-L1069 HydrophobicContact CD1-CD2 4.42Å; L1045-L1073 HydrophobicContact CD1-CD1 4.38Å; L1045-Y1090 PolarHBondContact N-O 3.13Å; L1045-Y1090 WeakPolarHBondContact O-CB 3.48Å; L1045-Y1092 HydrophobicContact CD1-CD2 4.48Å; L1045-Y1092 HydrophobicContact CD1-CE2 4.01Å; L1045-Y1092 HydrophobicContact CG-CE2 4.48Å
1046K97.5Very high96.1Very high95 Ų9555.4 Ų55.441%0.41326%0.262SS..SBendtrans-69.3-46.4175.4-72.9173.1178.2169.40110N1031 E1032 F1033 S1035 K1044 P1048N1031-K1046 VanDerWaalsContact O-CD 3.31Å; N1031-K1046 WeakPolarHBondContact O-CD 3.48Å; N1031-K1046 WeakPolarHBondContact O-CE 3.36Å; N1031-K1046 PolarHBondContact O-NZ 3.03Å; N1031-K1046 PolarHBondContact OD1-NZ 2.97Å; E1032-K1046 WeakPolarHBondContact O-CB 3.4Å; E1032-K1046 WeakPolarHBondContact O-CD 3.47Å; F1033-K1046 PolarHBondContact O-N 3.42Å; S1035-K1046 VanDerWaalsContact OG-CE 3.26Å; S1035-K1046 WeakPolarHBondContact OG-CE 3.33Å; K1044-K1046 PolarHBondContact O-N 3.38Å; K1046-P1048 WeakPolarHBondContact O-CD 3.33Å
1047E97.7Very high96.1Very high83 Ų8356.6 Ų56.639%0.38828%0.283SS..SBendtrans-119.984.3173.7-60.1-144.1143.700110.7F1033 N1049 Q1050 V1051F1033-E1047 HydrophobicContact CB-CB 4.35Å; F1033-E1047 HydrophobicContact CD1-CB 4.12Å; F1033-E1047 HydrophobicContact CD1-CG 4.22Å; F1033-E1047 PolarHBondContact O-N 3.03Å; E1047-N1049 PolarHBondContact O-N 3.08Å; E1047-Q1050 HydrophobicContact CB-CB 4.07Å; E1047-Q1050 HydrophobicContact CB-CG 3.95Å; E1047-Q1050 PolarHBondContact O-N 3.4Å; E1047-Q1050 WeakPolarHBondContact OE2-CG 3.24Å; E1047-V1051 PolarHBondContact O-N 3.25Å
1048P97.8Very high96.1Very high15 Ų1559.4 Ų59.410%0.09729%0.289CS..Hα-helixtrans-59.2-25.9-174.4-20.529.8000113.9L1045 K1046 A1052 Y1066 Y1090L1045-P1048 HydrophobicContact CB-CB 4.19Å; L1045-P1048 HydrophobicContact CB-CG 4.01Å; L1045-P1048 HydrophobicContact CD1-CB 4.34Å; K1046-P1048 WeakPolarHBondContact O-CD 3.33Å; P1048-A1052 WeakPolarHBondContact O-CB 3.09Å; P1048-A1052 PolarHBondContact O-N 3.43Å; P1048-Y1066 HydrophobicContact CB-CD1 4.41Å; P1048-Y1066 HydrophobicContact CB-CD2 3.39Å; P1048-Y1066 HydrophobicContact CB-CE2 3.88Å; P1048-Y1066 HydrophobicContact CB-CG 3.68Å; P1048-Y1090 HydrophobicContact CB-CD1 4.27Å; P1048-Y1090 HydrophobicContact CB-CE1 4.45Å; P1048-Y1090 HydrophobicContact CG-CD1 3.61Å; P1048-Y1090 HydrophobicContact CG-CD2 3.76Å; P1048-Y1090 HydrophobicContact CG-CE1 3.9Å; P1048-Y1090 HydrophobicContact CG-CE2 4.02Å; P1048-Y1090 HydrophobicContact CG-CG 3.56Å
1049N97.8Very high96.3Very high108 Ų10860.4 Ų60.458%0.57829%0.285SS*.Hα-helixtrans-73.2-42.5175.4-72.9-31.1000112.5E1047 A1052 Q1053E1047-N1049 PolarHBondContact O-N 3.08Å; N1049-A1052 PolarHBondContact O-N 3.31Å; N1049-Q1053 WeakPolarHBondContact O-CG 3.19Å; N1049-Q1053 PolarHBondContact O-N 3.01Å
1050Q97.8Very high96.4Very high69 Ų6960.1 Ų60.132%0.32229%0.293SS..Hα-helixtrans-68.8-40.9178-62.7-64.825.300111.8F1033 E1047 A1052 Q1053 R1054F1033-Q1050 HydrophobicContact CB-CB 4.13Å; F1033-Q1050 HydrophobicContact CD1-CB 3.56Å; F1033-Q1050 HydrophobicContact CD1-CG 3.65Å; F1033-Q1050 HydrophobicContact CE1-CB 4.28Å; F1033-Q1050 HydrophobicContact CE1-CG 4.03Å; F1033-Q1050 HydrophobicContact CG-CB 3.9Å; F1033-Q1050 HydrophobicContact CG-CG 4.48Å; E1047-Q1050 HydrophobicContact CB-CB 4.07Å; E1047-Q1050 HydrophobicContact CB-CG 3.95Å; E1047-Q1050 PolarHBondContact O-N 3.4Å; E1047-Q1050 WeakPolarHBondContact OE2-CG 3.24Å; Q1050-A1052 PolarHBondContact O-N 2.93Å; Q1050-Q1053 CarbonylContact O-C 3.58Å; Q1050-Q1053 WeakPolarHBondContact O-CA 3.21Å; Q1050-Q1053 PolarHBondContact O-N 2.88Å; Q1050-Q1053 VanDerWaalsContact OE1-NE2 3.09Å; Q1050-R1054 PolarHBondContact O-N 2.72Å
1051V98.1Very high96.7Very high0 Ų058.3 Ų58.30%028%0.283CS..Hα-helixtrans-60.9-36174.6-174.70000110.8F1020 L1021 F1033 I1034 L1045 E1047 W1055 L1069F1020-V1051 HydrophobicContact CE1-CG1 4.1Å; L1021-V1051 HydrophobicContact CD2-CG1 3.77Å; F1033-V1051 HydrophobicContact CB-CG2 3.83Å; F1033-V1051 WeakPolarHBondContact O-CG2 3.5Å; I1034-V1051 HydrophobicContact CB-CG2 3.84Å; I1034-V1051 HydrophobicContact CG2-CG2 4.14Å; L1045-V1051 HydrophobicContact CD2-CB 4.24Å; L1045-V1051 HydrophobicContact CD2-CG1 3.96Å; L1045-V1051 HydrophobicContact CD2-CG2 4.07Å; E1047-V1051 PolarHBondContact O-N 3.25Å; V1051-W1055 WeakPolarHBondContact O-CB 3.37Å; V1051-W1055 PolarHBondContact O-N 2.98Å; V1051-L1069 HydrophobicContact CG1-CD1 4.29Å
1052A98.2Very high96.7Very high0 Ų061.9 Ų61.90%031%0.308CS..Hα-helixtrans-71-33.417300000113.7P1048 N1049 Q1050 G1056 M1064 L1069P1048-A1052 WeakPolarHBondContact O-CB 3.09Å; P1048-A1052 PolarHBondContact O-N 3.43Å; N1049-A1052 PolarHBondContact O-N 3.31Å; Q1050-A1052 PolarHBondContact O-N 2.93Å; A1052-G1056 PolarHBondContact O-N 2.94Å; A1052-M1064 HydrophobicContact CB-CG 4.38Å; A1052-M1064 WeakPolarHBondContact O-CB 3.45Å; A1052-M1064 WeakPolarHBondContact O-CG 3.15Å; A1052-L1069 HydrophobicContact CB-CB 4.27Å; A1052-L1069 HydrophobicContact CB-CD1 4.09Å
1053Q97.6Very high96.7Very high118 Ų11870 Ų7055%0.55134%0.344SS*.Hα-helixtrans-67.9-45.9171.6-73.5-170.366.700111.6N1049 Q1050 W1055 G1056 A1057N1049-Q1053 WeakPolarHBondContact O-CG 3.19Å; N1049-Q1053 PolarHBondContact O-N 3.01Å; Q1050-Q1053 CarbonylContact O-C 3.58Å; Q1050-Q1053 WeakPolarHBondContact O-CA 3.21Å; Q1050-Q1053 PolarHBondContact O-N 2.88Å; Q1050-Q1053 VanDerWaalsContact OE1-NE2 3.09Å; Q1053-W1055 PolarHBondContact O-N 2.93Å; Q1053-G1056 CarbonylContact O-C 3.5Å; Q1053-G1056 VanDerWaalsContact O-CA 3.32Å; Q1053-G1056 WeakPolarHBondContact O-CA 3.36Å; Q1053-G1056 PolarHBondContact O-N 3.23Å; Q1053-A1057 PolarHBondContact O-N 2.95Å
1054R97.2Very high96.7Very high72 Ų7271.4 Ų71.427%0.27235%0.351SS..Hα-helixtrans-58.9-45.1174.4-72.2-169.2169.7-145.5-4.1111.6F1020 E1024 D1027 Q1050 G1056 A1057 R1058F1020-R1054 HydrophobicContact CE2-CB 4.36Å; F1020-R1054 HydrophobicContact CZ-CB 3.83Å; E1024-R1054 IonicContact OE1-NH1 2.75Å; E1024-R1054 WeakPolarHBondContact OE2-CD 3.41Å; E1024-R1054 IonicContact OE2-CZ 3.05Å; E1024-R1054 IonicContact OE2-NE 3.51Å; E1024-R1054 IonicContact OE2-NH1 2.78Å; E1024-R1054 PolarHBondContact OE2-NH1 3.05Å; D1027-R1054 IonicContact OD2-NH1 3.66Å; D1027-R1054 PolarHBondContact OD2-NH1 3.48Å; Q1050-R1054 PolarHBondContact O-N 2.72Å; R1054-G1056 VanDerWaalsContact C-N 3.31Å; R1054-G1056 PolarHBondContact O-N 3.28Å; R1054-A1057 PolarHBondContact O-N 3.18Å; R1054-R1058 WeakPolarHBondContact O-CB 3.22Å; R1054-R1058 PolarHBondContact O-N 2.99Å
1055W97Very high96.7Very high27 Ų2770.1 Ų70.110%0.10235%0.348CS..Hα-helixtrans-61.8-38.3171.6178.3-129.9000112.5I1015 L1017 F1020 V1051 Q1053 R1058 K1059 L1069I1015-W1055 HydrophobicContact CG2-CZ3 4.13Å; L1017-W1055 HydrophobicContact CB-CH2 4.03Å; L1017-W1055 HydrophobicContact CB-CZ2 3.73Å; L1017-W1055 HydrophobicContact CD1-CD2 3.84Å; L1017-W1055 HydrophobicContact CD1-CE3 4.35Å; L1017-W1055 HydrophobicContact CD1-CG 4.02Å; L1017-W1055 HydrophobicContact CD1-CZ2 4.24Å; F1020-W1055 HydrophobicContact CB-CE3 3.65Å; F1020-W1055 HydrophobicContact CB-CZ3 3.54Å; F1020-W1055 HydrophobicContact CD1-CB 4.07Å; F1020-W1055 HydrophobicContact CD1-CD2 4.12Å; F1020-W1055 AromaticContact CD1-CE3 3.59Å; F1020-W1055 HydrophobicContact CD1-CE3 3.59Å; F1020-W1055 HydrophobicContact CD1-CG 4.35Å; F1020-W1055 HydrophobicContact CD1-CZ3 4.34Å; F1020-W1055 AromaticContact CD2-CE3 3.9Å; F1020-W1055 HydrophobicContact CD2-CE3 3.9Å; F1020-W1055 HydrophobicContact CD2-CZ3 4.45Å; F1020-W1055 HydrophobicContact CE1-CB 3.57Å; F1020-W1055 HydrophobicContact CE1-CE3 4.24Å; F1020-W1055 HydrophobicContact CE1-CG 4.32Å; F1020-W1055 HydrophobicContact CE2-CE3 4.49Å; F1020-W1055 HydrophobicContact CG-CD2 4.37Å; F1020-W1055 AromaticContact CG-CE3 3.4Å; F1020-W1055 HydrophobicContact CG-CE3 3.4Å; F1020-W1055 AromaticContact CG-CZ3 3.86Å; F1020-W1055 HydrophobicContact CG-CZ3 3.86Å; F1020-W1055 HydrophobicContact CZ-CB 3.87Å; F1020-W1055 VanDerWaalsContact CZ-N 3.27Å; V1051-W1055 WeakPolarHBondContact O-CB 3.37Å; V1051-W1055 PolarHBondContact O-N 2.98Å; Q1053-W1055 PolarHBondContact O-N 2.93Å; W1055-R1058 PolarHBondContact O-N 2.88Å; W1055-K1059 HydrophobicContact CD2-CG 3.97Å; W1055-K1059 HydrophobicContact CE3-CD 4.38Å; W1055-K1059 HydrophobicContact CE3-CG 3.74Å; W1055-K1059 HydrophobicContact CH2-CD 3.6Å; W1055-K1059 HydrophobicContact CH2-CG 3.49Å; W1055-K1059 VanDerWaalsContact CH2-CG 3.49Å; W1055-K1059 HydrophobicContact CZ2-CD 4.24Å; W1055-K1059 HydrophobicContact CZ2-CG 3.71Å; W1055-K1059 HydrophobicContact CZ3-CD 3.69Å; W1055-K1059 HydrophobicContact CZ3-CG 3.51Å; W1055-K1059 PolarHBondContact O-N 3.05Å; W1055-K1059 VanDerWaalsContact O-N 3.11Å; W1055-L1069 HydrophobicContact CB-CD1 3.93Å; W1055-L1069 HydrophobicContact CG-CD1 4.15Å
1056G96.4Very high96.7Very high1 Ų171.5 Ų71.51%0.0135%0.353CS..Hα-helixtrans-58-53.617300000111.9A1052 Q1053 R1054 K1059 N1060 K1061A1052-G1056 PolarHBondContact O-N 2.94Å; Q1053-G1056 CarbonylContact O-C 3.5Å; Q1053-G1056 VanDerWaalsContact O-CA 3.32Å; Q1053-G1056 WeakPolarHBondContact O-CA 3.36Å; Q1053-G1056 PolarHBondContact O-N 3.23Å; R1054-G1056 VanDerWaalsContact C-N 3.31Å; R1054-G1056 PolarHBondContact O-N 3.28Å; G1056-K1059 PolarHBondContact O-N 3.04Å; G1056-N1060 CarbonylContact O-C 3.5Å; G1056-N1060 WeakPolarHBondContact O-CA 3.26Å; G1056-N1060 PolarHBondContact O-N 3.29Å; G1056-K1061 VanDerWaalsContact CA-O 3.31Å; G1056-K1061 WeakPolarHBondContact CA-O 3.33Å; G1056-K1061 PolarHBondContact O-N 3.19Å
1057A95.7Very high96.7Very high80 Ų8072.2 Ų72.266%0.66136%0.358SS*.Hα-helixtrans-57.1-50.9175.500000111.2Q1053 R1054 K1059 N1060Q1053-A1057 PolarHBondContact O-N 2.95Å; R1054-A1057 PolarHBondContact O-N 3.18Å; A1057-K1059 PolarHBondContact O-N 2.99Å; A1057-K1059 VanDerWaalsContact O-N 3.13Å; A1057-N1060 PolarHBondContact O-N 3.37Å
1058R95.4Very high96.7Very high104 Ų10473.6 Ų73.639%0.39236%0.363SS..Hα-helixtrans-58.7-28.9-178.2-163.97488.982.312.4114.2I1015 F1020 E1023 E1024 R1054 W1055I1015-R1058 HydrophobicContact CG2-CG 4.08Å; F1020-R1058 HydrophobicContact CD2-CB 4.2Å; F1020-R1058 HydrophobicContact CD2-CG 4.1Å; F1020-R1058 HydrophobicContact CE2-CB 4.18Å; F1020-R1058 HydrophobicContact CE2-CG 4.48Å; E1023-R1058 IonicContact OE2-CZ 2.61Å; E1023-R1058 IonicContact OE2-NH1 3.71Å; E1023-R1058 PolarHBondContact OE2-NH1 3.19Å; E1023-R1058 IonicContact OE2-NH2 3.82Å; E1023-R1058 PolarHBondContact OE2-NH2 3.2Å; E1024-R1058 IonicContact OE1-NH2 3.15Å; R1054-R1058 WeakPolarHBondContact O-CB 3.22Å; R1054-R1058 PolarHBondContact O-N 2.99Å; W1055-R1058 PolarHBondContact O-N 2.88Å
1059K94.6Very high96.7Very high50 Ų5073 Ų7322%0.21736%0.359CS..THydrogen-bonded Turntrans-107.411.8177.2-58.9-62.1-68.3-168.20114G1013 I1015 W1055 G1056 A1057 K1061G1013-K1059 PolarHBondContact O-NZ 3.01Å; I1015-K1059 HydrophobicContact CG2-CD 3.72Å; I1015-K1059 PolarHBondContact O-NZ 2.69Å; W1055-K1059 HydrophobicContact CD2-CG 3.97Å; W1055-K1059 HydrophobicContact CE3-CD 4.38Å; W1055-K1059 HydrophobicContact CE3-CG 3.74Å; W1055-K1059 HydrophobicContact CH2-CD 3.6Å; W1055-K1059 HydrophobicContact CH2-CG 3.49Å; W1055-K1059 VanDerWaalsContact CH2-CG 3.49Å; W1055-K1059 HydrophobicContact CZ2-CD 4.24Å; W1055-K1059 HydrophobicContact CZ2-CG 3.71Å; W1055-K1059 HydrophobicContact CZ3-CD 3.69Å; W1055-K1059 HydrophobicContact CZ3-CG 3.51Å; W1055-K1059 PolarHBondContact O-N 3.05Å; W1055-K1059 VanDerWaalsContact O-N 3.11Å; G1056-K1059 PolarHBondContact O-N 3.04Å; A1057-K1059 PolarHBondContact O-N 2.99Å; A1057-K1059 VanDerWaalsContact O-N 3.13Å; K1059-K1061 VanDerWaalsContact C-N 3.33Å; K1059-K1061 HydrophobicContact CB-CD 4.29Å; K1059-K1061 HydrophobicContact CB-CG 4.47Å; K1059-K1061 PolarHBondContact O-N 3.39Å
1060N94.1Very high96.7Very high143 Ų14368 Ų6877%0.76533%0.332SS*.THydrogen-bonded Turntrans4651.6-172-163.74.6000113.6G1056 A1057G1056-N1060 CarbonylContact O-C 3.5Å; G1056-N1060 WeakPolarHBondContact O-CA 3.26Å; G1056-N1060 PolarHBondContact O-N 3.29Å; A1057-N1060 PolarHBondContact O-N 3.37Å
1061K94.9Very high96.7Very high118 Ų11869.6 Ų69.651%0.51334%0.335SS..  trans-125.577178.9-72.9177.4-175.4-175.80109.3G1056 K1059 K1063 M1064G1056-K1061 VanDerWaalsContact CA-O 3.31Å; G1056-K1061 WeakPolarHBondContact CA-O 3.33Å; G1056-K1061 PolarHBondContact O-N 3.19Å; K1059-K1061 VanDerWaalsContact C-N 3.33Å; K1059-K1061 HydrophobicContact CB-CD 4.29Å; K1059-K1061 HydrophobicContact CB-CG 4.47Å; K1059-K1061 PolarHBondContact O-N 3.39Å; K1061-K1063 PolarHBondContact O-N 3.18Å; K1061-M1064 HydrophobicContact CB-CE 4.12Å; K1061-M1064 HydrophobicContact CD-CE 3.97Å; K1061-M1064 WeakPolarHBondContact O-CB 3.16Å; K1061-M1064 PolarHBondContact O-N 3.35Å
1062P92.8Very high96.6Very high117 Ų11770.5 Ų70.576%0.7635%0.345SS*.THydrogen-bonded Turntrans-63.2-16.6-177.725.1-35.3000114M1064P1062-M1064 VanDerWaalsContact C-N 3.28Å; P1062-M1064 PolarHBondContact O-N 3.07Å
1063K96.5Very high96.5Very high179 Ų17970.5 Ų70.578%0.77835%0.345SS*.THydrogen-bonded Turntrans-89.320.1171.8-60.8-174.6179.7-178.90113.2K1061 K1068K1061-K1063 PolarHBondContact O-N 3.18Å; K1063-K1068 WeakPolarHBondContact O-CD 3.37Å; K1063-K1068 PolarHBondContact O-NZ 3.39Å
1064M97.4Very high96.5Very high29 Ų2969.8 Ų69.814%0.14334%0.337CS..  trans-73.6141.4170.6-16862.867.900110A1052 K1061 P1062 K1068A1052-M1064 HydrophobicContact CB-CG 4.38Å; A1052-M1064 WeakPolarHBondContact O-CB 3.45Å; A1052-M1064 WeakPolarHBondContact O-CG 3.15Å; K1061-M1064 HydrophobicContact CB-CE 4.12Å; K1061-M1064 HydrophobicContact CD-CE 3.97Å; K1061-M1064 WeakPolarHBondContact O-CB 3.16Å; K1061-M1064 PolarHBondContact O-N 3.35Å; P1062-M1064 VanDerWaalsContact C-N 3.28Å; P1062-M1064 PolarHBondContact O-N 3.07Å; M1064-K1068 HydrophobicContact SD-CB 3.72Å
1065N97.8Very high96.5Very high64 Ų6473 Ų7334%0.34235%0.35SS..  trans-150.8169.4175.665.7-14.5000109E1067 K1068 L1069N1065-E1067 VanDerWaalsContact C-N 3.25Å; N1065-E1067 PolarHBondContact O-N 2.98Å; N1065-K1068 PolarHBondContact O-N 2.71Å; N1065-K1068 VanDerWaalsContact OD1-CD 3.24Å; N1065-K1068 WeakPolarHBondContact OD1-CD 3.44Å; N1065-K1068 WeakPolarHBondContact OD1-CE 3.36Å; N1065-K1068 VanDerWaalsContact OD1-CG 3.24Å; N1065-K1068 WeakPolarHBondContact OD1-CG 3.31Å; N1065-K1068 PolarHBondContact OD1-N 3.02Å; N1065-L1069 PolarHBondContact O-N 2.8Å; N1065-L1069 VanDerWaalsContact O-N 3.1Å
1066Y98.3Very high96.4Very high29 Ų2973 Ų7311%0.11435%0.35CS..Hα-helixtrans-55.8-39-175.8173.7-107.7000112.7L1045 P1048 K1068 L1069 S1070 Y1090 Y1092L1045-Y1066 HydrophobicContact CD1-CD2 4.22Å; L1045-Y1066 HydrophobicContact CD1-CE2 3.74Å; P1048-Y1066 HydrophobicContact CB-CD1 4.41Å; P1048-Y1066 HydrophobicContact CB-CD2 3.39Å; P1048-Y1066 HydrophobicContact CB-CE2 3.88Å; P1048-Y1066 HydrophobicContact CB-CG 3.68Å; Y1066-K1068 VanDerWaalsContact C-N 3.27Å; Y1066-K1068 PolarHBondContact O-N 3.05Å; Y1066-L1069 CarbonylContact O-C 3.52Å; Y1066-L1069 PolarHBondContact O-N 3.13Å; Y1066-L1069 VanDerWaalsContact O-N 3.12Å; Y1066-S1070 VanDerWaalsContact O-CB 3.28Å; Y1066-S1070 WeakPolarHBondContact O-CB 3.49Å; Y1066-S1070 PolarHBondContact O-N 3.27Å; Y1066-S1070 PolarHBondContact O-OG 3.15Å; Y1066-Y1090 HydrophobicContact CD1-CE1 4.35Å; Y1066-Y1090 HydrophobicContact CE1-CD1 4.1Å; Y1066-Y1090 AromaticContact CE1-CE1 3.69Å; Y1066-Y1090 HydrophobicContact CE1-CE1 3.69Å; Y1066-Y1090 HydrophobicContact CE2-CD1 4.24Å; Y1066-Y1090 AromaticContact CZ-CD1 3.71Å; Y1066-Y1090 AromaticContact CZ-CE1 3.81Å; Y1066-Y1092 PolarHBondContact OH-OH 3.45Å
1067E97.3Very high96.4Very high110 Ų11076 Ų7651%0.51436%0.362SS..Hα-helixtrans-58.6-34.8177.7-70.3-47.6109.500114.6N1065 S1070 R1071 R1074N1065-E1067 VanDerWaalsContact C-N 3.25Å; N1065-E1067 PolarHBondContact O-N 2.98Å; E1067-S1070 PolarHBondContact O-OG 3.27Å; E1067-R1071 PolarHBondContact O-N 2.91Å; E1067-R1074 IonicContact OE2-NH2 2.71Å
1068K97.4Very high96.2Very high113 Ų11379 Ų7949%0.49137%0.367SS..Hα-helixtrans-79.1-37.4176.3-67.5165.6-159.3173.10111.5K1063 M1064 N1065 Y1066 R1071 G1072K1063-K1068 WeakPolarHBondContact O-CD 3.37Å; K1063-K1068 PolarHBondContact O-NZ 3.39Å; M1064-K1068 HydrophobicContact SD-CB 3.72Å; N1065-K1068 PolarHBondContact O-N 2.71Å; N1065-K1068 VanDerWaalsContact OD1-CD 3.24Å; N1065-K1068 WeakPolarHBondContact OD1-CD 3.44Å; N1065-K1068 WeakPolarHBondContact OD1-CE 3.36Å; N1065-K1068 VanDerWaalsContact OD1-CG 3.24Å; N1065-K1068 WeakPolarHBondContact OD1-CG 3.31Å; N1065-K1068 PolarHBondContact OD1-N 3.02Å; Y1066-K1068 VanDerWaalsContact C-N 3.27Å; Y1066-K1068 PolarHBondContact O-N 3.05Å; K1068-R1071 PolarHBondContact O-N 2.76Å; K1068-G1072 PolarHBondContact O-N 3.29Å
1069L98.3Very high96.1Very high1 Ų180.2 Ų80.21%0.00538%0.375CS..Hα-helixtrans-66.8-44175.5-172.3151.8000111.3L1017 L1045 V1051 A1052 W1055 N1065 Y1066 R1071 G1072 L1073L1017-L1069 HydrophobicContact CD1-CD1 4.03Å; L1017-L1069 HydrophobicContact CD1-CG 3.92Å; L1017-L1069 HydrophobicContact CD2-CG 4.25Å; L1045-L1069 HydrophobicContact CD1-CD2 4.42Å; V1051-L1069 HydrophobicContact CG1-CD1 4.29Å; A1052-L1069 HydrophobicContact CB-CB 4.27Å; A1052-L1069 HydrophobicContact CB-CD1 4.09Å; W1055-L1069 HydrophobicContact CB-CD1 3.93Å; W1055-L1069 HydrophobicContact CG-CD1 4.15Å; N1065-L1069 PolarHBondContact O-N 2.8Å; N1065-L1069 VanDerWaalsContact O-N 3.1Å; Y1066-L1069 CarbonylContact O-C 3.52Å; Y1066-L1069 PolarHBondContact O-N 3.13Å; Y1066-L1069 VanDerWaalsContact O-N 3.12Å; L1069-R1071 VanDerWaalsContact C-N 3.29Å; L1069-R1071 PolarHBondContact O-N 3.24Å; L1069-G1072 CarbonylContact O-C 3.6Å; L1069-G1072 VanDerWaalsContact O-CA 3.25Å; L1069-G1072 WeakPolarHBondContact O-CA 3.45Å; L1069-G1072 PolarHBondContact O-N 2.98Å; L1069-L1073 HydrophobicContact CD2-CD1 3.75Å; L1069-L1073 HydrophobicContact CD2-CG 4.05Å; L1069-L1073 PolarHBondContact O-N 3.49Å
1070S97.7Very high96Very high4 Ų483.9 Ų83.93%0.02839%0.391CS..Hα-helixtrans-66.7-28.7177.282.10000112.2Y1066 E1067 G1072 L1073 R1074Y1066-S1070 VanDerWaalsContact O-CB 3.28Å; Y1066-S1070 WeakPolarHBondContact O-CB 3.49Å; Y1066-S1070 PolarHBondContact O-N 3.27Å; Y1066-S1070 PolarHBondContact O-OG 3.15Å; E1067-S1070 PolarHBondContact O-OG 3.27Å; S1070-G1072 VanDerWaalsContact C-N 3.32Å; S1070-L1073 PolarHBondContact O-N 3.28Å; S1070-R1074 WeakPolarHBondContact O-CG 3.44Å; S1070-R1074 PolarHBondContact O-N 3.26Å; S1070-R1074 PolarHBondContact O-NE 3.44Å; S1070-R1074 PolarHBondContact OG-NH2 3.39Å
1071R97.4Very high96.1Very high102 Ų10277.9 Ų77.939%0.38536%0.359SS..Hα-helixtrans-68.3-33.2168.4-171.764.7-165.390.8-14.3112E1067 K1068 L1069 Y1075E1067-R1071 PolarHBondContact O-N 2.91Å; K1068-R1071 PolarHBondContact O-N 2.76Å; L1069-R1071 VanDerWaalsContact C-N 3.29Å; L1069-R1071 PolarHBondContact O-N 3.24Å; R1071-Y1075 HydrophobicContact CG-CE2 4.16Å; R1071-Y1075 VanDerWaalsContact CZ-CE1 3.48Å; R1071-Y1075 VanDerWaalsContact NH1-CE1 3.26Å; R1071-Y1075 VanDerWaalsContact NH1-CE2 3.32Å; R1071-Y1075 PolarHBondContact NH2-OH 3.27Å; R1071-Y1075 WeakPolarHBondContact O-CD2 3.39Å
1072G95.9Very high96.1Very high19 Ų1972.2 Ų72.220%0.19633%0.334CS..Hα-helixtrans-61.7-52.3168.200000112.4K1068 L1069 S1070 R1074 Y1075K1068-G1072 PolarHBondContact O-N 3.29Å; L1069-G1072 CarbonylContact O-C 3.6Å; L1069-G1072 VanDerWaalsContact O-CA 3.25Å; L1069-G1072 WeakPolarHBondContact O-CA 3.45Å; L1069-G1072 PolarHBondContact O-N 2.98Å; S1070-G1072 VanDerWaalsContact C-N 3.32Å; G1072-R1074 VanDerWaalsContact C-N 3.29Å; G1072-R1074 PolarHBondContact O-N 3.45Å; G1072-Y1075 WeakPolarHBondContact O-CB 3.21Å; G1072-Y1075 PolarHBondContact O-N 2.78Å
1073L97.5Very high96.3Very high0 Ų069 Ų690%031%0.309CS..Hα-helixtrans-54.9-42.8176.4-69.1176.2000112.5L1017 L1021 L1045 L1069 S1070 Y1075 Y1076 Y1077 I1082 Y1092L1017-L1073 HydrophobicContact CD2-CD2 4.41Å; L1017-L1073 HydrophobicContact CD2-CG 4.42Å; L1021-L1073 HydrophobicContact CD1-CD2 3.54Å; L1045-L1073 HydrophobicContact CD1-CD1 4.38Å; L1069-L1073 HydrophobicContact CD2-CD1 3.75Å; L1069-L1073 HydrophobicContact CD2-CG 4.05Å; L1069-L1073 PolarHBondContact O-N 3.49Å; S1070-L1073 PolarHBondContact O-N 3.28Å; L1073-Y1075 PolarHBondContact O-N 3.49Å; L1073-Y1075 VanDerWaalsContact O-N 3.16Å; L1073-Y1076 HydrophobicContact CD2-CD2 4.48Å; L1073-Y1076 WeakPolarHBondContact O-CB 3.47Å; L1073-Y1076 PolarHBondContact O-N 3.22Å; L1073-Y1077 VanDerWaalsContact O-CD1 3.28Å; L1073-Y1077 WeakPolarHBondContact O-CD1 3.43Å; L1073-Y1077 VanDerWaalsContact O-CE1 3.22Å; L1073-Y1077 WeakPolarHBondContact O-CE1 3.44Å; L1073-I1082 HydrophobicContact CD2-CD1 3.92Å; L1073-I1082 HydrophobicContact CD2-CG2 4.3Å; L1073-Y1092 HydrophobicContact CB-CE1 4.12Å; L1073-Y1092 HydrophobicContact CD1-CD1 4.15Å; L1073-Y1092 HydrophobicContact CD1-CD2 4.11Å; L1073-Y1092 HydrophobicContact CD1-CE1 3.7Å; L1073-Y1092 HydrophobicContact CD1-CE2 3.67Å; L1073-Y1092 HydrophobicContact CD1-CG 4.34Å; L1073-Y1092 VanDerWaalsContact CD1-CZ 3.45Å; L1073-Y1092 HydrophobicContact CG-CE1 4.46Å
1074R96.9Very high96.3Very high103 Ų10363.6 Ų63.639%0.38929%0.285SS..THydrogen-bonded Turntrans-59-23175.6-78.3175.3-85-172.2-6.1114.5E1067 S1070 G1072 Y1076 Y1077E1067-R1074 IonicContact OE2-NH2 2.71Å; S1070-R1074 WeakPolarHBondContact O-CG 3.44Å; S1070-R1074 PolarHBondContact O-N 3.26Å; S1070-R1074 PolarHBondContact O-NE 3.44Å; S1070-R1074 PolarHBondContact OG-NH2 3.39Å; G1072-R1074 VanDerWaalsContact C-N 3.29Å; G1072-R1074 PolarHBondContact O-N 3.45Å; R1074-Y1076 VanDerWaalsContact C-N 3.32Å; R1074-Y1077 HydrophobicContact CB-CE2 4.34Å; R1074-Y1077 HydrophobicContact CG-CE2 3.79Å
1075Y96.4Very high96.3Very high141 Ų14163 Ų6355%0.55328%0.284SS*.THydrogen-bonded Turntrans-81.4-5.7173.8-68.7-63.6000114R1071 G1072 L1073R1071-Y1075 HydrophobicContact CG-CE2 4.16Å; R1071-Y1075 VanDerWaalsContact CZ-CE1 3.48Å; R1071-Y1075 VanDerWaalsContact NH1-CE1 3.26Å; R1071-Y1075 VanDerWaalsContact NH1-CE2 3.32Å; R1071-Y1075 PolarHBondContact NH2-OH 3.27Å; R1071-Y1075 WeakPolarHBondContact O-CD2 3.39Å; G1072-Y1075 WeakPolarHBondContact O-CB 3.21Å; G1072-Y1075 PolarHBondContact O-N 2.78Å; L1073-Y1075 PolarHBondContact O-N 3.49Å; L1073-Y1075 VanDerWaalsContact O-N 3.16Å
1076Y95.9Very high96.2Very high25 Ų2565.2 Ų65.210%0.09830%0.304CS..SBendtrans-95.8-12.1179.3-67.8-46.8000114.2L1017 W1018 L1073 R1074 K1079 K1080 I1081 I1082L1017-Y1076 HydrophobicContact CB-CE2 4.02Å; L1017-Y1076 HydrophobicContact CD2-CE2 4.18Å; L1017-Y1076 HydrophobicContact CG-CE2 4.19Å; L1017-Y1076 PolarHBondContact N-OH 2.94Å; W1018-Y1076 HydrophobicContact CB-CD2 4.42Å; W1018-Y1076 HydrophobicContact CB-CE2 3.89Å; W1018-Y1076 AromaticContact CD1-CE1 3.79Å; W1018-Y1076 AromaticContact CD1-CZ 3.71Å; W1018-Y1076 PolarHBondContact N-OH 3.31Å; L1073-Y1076 HydrophobicContact CD2-CD2 4.48Å; L1073-Y1076 WeakPolarHBondContact O-CB 3.47Å; L1073-Y1076 PolarHBondContact O-N 3.22Å; R1074-Y1076 VanDerWaalsContact C-N 3.32Å; Y1076-K1079 PolarHBondContact O-N 3.46Å; Y1076-K1080 PolarHBondContact O-N 3.45Å; Y1076-K1080 VanDerWaalsContact O-N 3.16Å; Y1076-I1081 HydrophobicContact CD1-CB 4.17Å; Y1076-I1081 HydrophobicContact CD1-CD1 4Å; Y1076-I1081 HydrophobicContact CD1-CG2 4.29Å; Y1076-I1081 HydrophobicContact CE1-CD1 4.34Å; Y1076-I1081 HydrophobicContact CG-CB 4.36Å; Y1076-I1081 HydrophobicContact CG-CG2 4.45Å; Y1076-I1081 PolarHBondContact O-N 3.08Å; Y1076-I1082 CarbonylContact C-O 3.59Å; Y1076-I1082 HydrophobicContact CD2-CD1 4.03Å; Y1076-I1082 VanDerWaalsContact O-O 3.13Å
1077Y95.4Very high96Very high64 Ų6468 Ų6825%0.25134%0.342SS..THydrogen-bonded Turntrans-65.2-50.7-177.1-58.4-3.3000111.1L1073 R1074 K1079 K1080 I1082 K1084 Y1092L1073-Y1077 VanDerWaalsContact O-CD1 3.28Å; L1073-Y1077 WeakPolarHBondContact O-CD1 3.43Å; L1073-Y1077 VanDerWaalsContact O-CE1 3.22Å; L1073-Y1077 WeakPolarHBondContact O-CE1 3.44Å; R1074-Y1077 HydrophobicContact CB-CE2 4.34Å; R1074-Y1077 HydrophobicContact CG-CE2 3.79Å; Y1077-K1079 VanDerWaalsContact C-N 3.29Å; Y1077-K1079 PolarHBondContact O-N 3.45Å; Y1077-K1080 PolarHBondContact O-N 3.31Å; Y1077-I1082 WeakPolarHBondContact CA-O 3.45Å; Y1077-I1082 WeakPolarHBondContact CD1-O 3.41Å; Y1077-I1082 PolarHBondContact N-O 3.18Å; Y1077-K1084 HydrophobicContact CE1-CB 4.19Å; Y1077-K1084 HydrophobicContact CE2-CB 4.13Å; Y1077-Y1092 HydrophobicContact CE1-CE1 4.45Å
1078D92.9Very high96Very high143 Ų14366.8 Ų66.877%0.76533%0.334SS*.THydrogen-bonded Turntrans-66.4-34.2177.7-52.1-36.3000111.3K1080D1078-K1080 PolarHBondContact O-N 3.41Å
1079K93Very high95.9Very high131 Ų13170 Ų7057%0.5734%0.344SS*.THydrogen-bonded Turntrans-73.7-7178.1-65-165.3170.7-157.40114.2Y1076 Y1077 I1081 R1096Y1076-K1079 PolarHBondContact O-N 3.46Å; Y1077-K1079 VanDerWaalsContact C-N 3.29Å; Y1077-K1079 PolarHBondContact O-N 3.45Å; K1079-I1081 VanDerWaalsContact C-N 3.28Å; K1079-I1081 HydrophobicContact CB-CD1 3.95Å; K1079-I1081 HydrophobicContact CB-CG1 3.94Å; K1079-I1081 HydrophobicContact CD-CD1 4.22Å; K1079-I1081 PolarHBondContact O-N 2.9Å; K1079-R1096 PolarHBondContact O-NH2 2.8Å
1080K93.5Very high95.9Very high126 Ų12673.5 Ų73.555%0.54836%0.357SS..THydrogen-bonded Turntrans48.950.3-174.3-51.3-61.3175.4-174.20111.6Y1076 Y1077 D1078 T1095 R1096Y1076-K1080 PolarHBondContact O-N 3.45Å; Y1076-K1080 VanDerWaalsContact O-N 3.16Å; Y1077-K1080 PolarHBondContact O-N 3.31Å; D1078-K1080 PolarHBondContact O-N 3.41Å; K1080-T1095 HydrophobicContact CB-CG2 4.31Å; K1080-T1095 HydrophobicContact CD-CG2 4.39Å; K1080-R1096 PolarHBondContact O-NE 3.33Å
1081I94.6Very high95.9Very high17 Ų1773.7 Ų73.79%0.08736%0.358CS..SBendtrans-108.8-55174.4-62.6179000108.8W1018 Y1076 K1079 F1094 T1095 L1101W1018-I1081 HydrophobicContact CB-CG2 3.95Å; W1018-I1081 HydrophobicContact CD2-CG2 4.2Å; W1018-I1081 HydrophobicContact CG-CG2 3.81Å; Y1076-I1081 HydrophobicContact CD1-CB 4.17Å; Y1076-I1081 HydrophobicContact CD1-CD1 4Å; Y1076-I1081 HydrophobicContact CD1-CG2 4.29Å; Y1076-I1081 HydrophobicContact CE1-CD1 4.34Å; Y1076-I1081 HydrophobicContact CG-CB 4.36Å; Y1076-I1081 HydrophobicContact CG-CG2 4.45Å; Y1076-I1081 PolarHBondContact O-N 3.08Å; K1079-I1081 VanDerWaalsContact C-N 3.28Å; K1079-I1081 HydrophobicContact CB-CD1 3.95Å; K1079-I1081 HydrophobicContact CB-CG1 3.94Å; K1079-I1081 HydrophobicContact CD-CD1 4.22Å; K1079-I1081 PolarHBondContact O-N 2.9Å; I1081-F1094 WeakPolarHBondContact O-CA 3.46Å; I1081-T1095 PolarHBondContact O-N 2.89Å; I1081-T1095 VanDerWaalsContact O-N 3.14Å; I1081-L1101 HydrophobicContact CB-CD2 4.22Å; I1081-L1101 HydrophobicContact CG1-CD2 3.88Å; I1081-L1101 HydrophobicContact CG2-CD1 4.02Å; I1081-L1101 HydrophobicContact CG2-CD2 4.01Å
1082I96.1Very high96Very high0 Ų069 Ų690%034%0.34CS..EExtended strand (participates in β ladder)trans-129.6142.2171.9-68.5162.5000107.7W1018 L1021 F1043 L1073 Y1076 Y1077 Y1092 R1093 F1094W1018-I1082 HydrophobicContact CB-CD1 3.86Å; L1021-I1082 HydrophobicContact CD1-CD1 4.19Å; F1043-I1082 HydrophobicContact CE1-CG1 4.4Å; F1043-I1082 HydrophobicContact CE1-CG2 4.31Å; F1043-I1082 HydrophobicContact CZ-CD1 4.17Å; F1043-I1082 HydrophobicContact CZ-CG1 4.5Å; F1043-I1082 HydrophobicContact CZ-CG2 4.23Å; L1073-I1082 HydrophobicContact CD2-CD1 3.92Å; L1073-I1082 HydrophobicContact CD2-CG2 4.3Å; Y1076-I1082 CarbonylContact C-O 3.59Å; Y1076-I1082 HydrophobicContact CD2-CD1 4.03Å; Y1076-I1082 VanDerWaalsContact O-O 3.13Å; Y1077-I1082 WeakPolarHBondContact CA-O 3.45Å; Y1077-I1082 WeakPolarHBondContact CD1-O 3.41Å; Y1077-I1082 PolarHBondContact N-O 3.18Å; I1082-Y1092 HydrophobicContact CG2-CD1 4.08Å; I1082-Y1092 HydrophobicContact CG2-CG 4.39Å; I1082-R1093 CarbonylContact C-O 3.52Å; I1082-R1093 VanDerWaalsContact CA-O 3.23Å; I1082-R1093 WeakPolarHBondContact CA-O 3.44Å; I1082-F1094 HydrophobicContact CD1-CD1 4.23Å; I1082-F1094 HydrophobicContact CD1-CE1 3.72Å; I1082-F1094 HydrophobicContact CD1-CZ 4.02Å; I1082-F1094 HydrophobicContact CG1-CD1 3.58Å; I1082-F1094 HydrophobicContact CG1-CE1 3.62Å; I1082-F1094 HydrophobicContact CG1-CG 4.14Å; I1082-F1094 HydrophobicContact CG1-CZ 4.18Å
1083E96.1Very high96Very high48 Ų4872.1 Ų72.122%0.22435%0.346CS..EExtended strand (participates in β ladder)trans-120.3160.2171.868.4-159.4110.700111.6Y1092 R1093 T1095E1083-Y1092 WeakPolarHBondContact O-CA 3.29Å; E1083-R1093 VanDerWaalsContact CD-NH2 3.25Å; E1083-R1093 HydrophobicContact CG-CB 3.9Å; E1083-R1093 HydrophobicContact CG-CG 4.48Å; E1083-R1093 PolarHBondContact N-O 3.21Å; E1083-R1093 PolarHBondContact O-N 2.97Å; E1083-R1093 IonicContact OE1-CZ 3.64Å; E1083-R1093 IonicContact OE1-NE 2.77Å; E1083-R1093 PolarHBondContact OE1-NE 3.47Å; E1083-R1093 IonicContact OE1-NH2 3.58Å; E1083-R1093 IonicContact OE2-CZ 2.73Å; E1083-R1093 IonicContact OE2-NE 3.86Å; E1083-R1093 IonicContact OE2-NH2 3.87Å; E1083-R1093 PolarHBondContact OE2-NH2 3.1Å; E1083-T1095 WeakPolarHBondContact CB-OG1 3.2Å; E1083-T1095 WeakPolarHBondContact CG-OG1 2.98Å; E1083-T1095 WeakPolarHBondContact OE1-CA 3.5Å; E1083-T1095 VanDerWaalsContact OE1-CB 3.3Å; E1083-T1095 WeakPolarHBondContact OE1-CB 2.94Å; E1083-T1095 WeakPolarHBondContact OE1-CG2 3.28Å; E1083-T1095 PolarHBondContact OE1-OG1 3.06Å
1084K96.8Very high95.9Very high67 Ų6772.2 Ų72.229%0.29135%0.347SS..EExtended strand (participates in β ladder)trans-86.9128.6171.9-175.871.1-166.773.20109.5Y1077 S1086 K1088 V1091 Y1092Y1077-K1084 HydrophobicContact CE1-CB 4.19Å; Y1077-K1084 HydrophobicContact CE2-CB 4.13Å; K1084-S1086 PolarHBondContact O-N 3.21Å; K1084-K1088 PolarHBondContact NZ-O 3.38Å; K1084-V1091 PolarHBondContact NZ-O 2.83Å; K1084-Y1092 HydrophobicContact CD-CD1 3.94Å; K1084-Y1092 HydrophobicContact CD-CE1 3.43Å; K1084-Y1092 VanDerWaalsContact CD-CE1 3.43Å
1085V96.6Very high95.6Very high17 Ų1769.9 Ų69.910%0.10334%0.344CS..PPolyproline II helixtrans-79.8119168.2-175.50000109E1042 K1088 V1091 R1093E1042-V1085 HydrophobicContact CG-CG2 4.15Å; V1085-K1088 HydrophobicContact CG1-CB 4.4Å; V1085-K1088 HydrophobicContact CG1-CD 3.76Å; V1085-K1088 HydrophobicContact CG1-CG 4.16Å; V1085-V1091 HydrophobicContact CB-CB 4.43Å; V1085-V1091 HydrophobicContact CB-CG1 4.03Å; V1085-V1091 HydrophobicContact CG2-CG1 3.97Å; V1085-V1091 PolarHBondContact N-O 2.89Å; V1085-R1093 HydrophobicContact CG2-CB 4.11Å
1086S95.6Very high94.7Very high109 Ų10966.8 Ų66.876%0.76233%0.331SS*.SBendtrans-62.1154.6179-55.20000112.1K1084 K1088K1084-S1086 PolarHBondContact O-N 3.21Å; S1086-K1088 PolarHBondContact O-N 2.85Å
1087G95.3Very high93.8Very high89 Ų8969.5 Ų69.592%0.91835%0.348SS*.SBendtrans69.2-36.4-177.900000116
1088K96.3Very high92.9Very high83 Ų8367 Ų6736%0.36134%0.339SS..SBendtrans-85.1114-176.3-62.1-176.1-172.7171.40112.2E1042 K1084 V1085 S1086 Y1090 V1091E1042-K1088 IonicContact OE1-NZ 3.51Å; E1042-K1088 PolarHBondContact OE1-NZ 3.35Å; E1042-K1088 IonicContact OE2-NZ 2.65Å; E1042-K1088 PolarHBondContact OE2-NZ 3.4Å; K1084-K1088 PolarHBondContact NZ-O 3.38Å; V1085-K1088 HydrophobicContact CG1-CB 4.4Å; V1085-K1088 HydrophobicContact CG1-CD 3.76Å; V1085-K1088 HydrophobicContact CG1-CG 4.16Å; S1086-K1088 PolarHBondContact O-N 2.85Å; K1088-Y1090 PolarHBondContact O-N 2.76Å; K1088-V1091 HydrophobicContact CB-CB 3.63Å; K1088-V1091 HydrophobicContact CB-CG1 4.32Å; K1088-V1091 HydrophobicContact CB-CG2 3.7Å; K1088-V1091 HydrophobicContact CD-CB 4.13Å; K1088-V1091 HydrophobicContact CD-CG1 3.92Å; K1088-V1091 HydrophobicContact CD-CG2 4.15Å
1089R97Very high91.8Very high181 Ų18161.2 Ų61.268%0.68331%0.308SS*.THydrogen-bonded Turntrans-62.8134.6173.7-65.1-173.577.2-174.87.4111.6V1091R1089-V1091 PolarHBondContact O-N 3.11Å; R1089-V1091 VanDerWaalsContact O-N 3.08Å
1090Y98.1Very high90.7Very high75 Ų7559.4 Ų59.429%0.29430%0.301SS..THydrogen-bonded Turntrans58.313.1178.6-46.9-56.1000117.3L1045 P1048 Y1066 K1088 Y1092L1045-Y1090 PolarHBondContact N-O 3.13Å; L1045-Y1090 WeakPolarHBondContact O-CB 3.48Å; P1048-Y1090 HydrophobicContact CB-CD1 4.27Å; P1048-Y1090 HydrophobicContact CB-CE1 4.45Å; P1048-Y1090 HydrophobicContact CG-CD1 3.61Å; P1048-Y1090 HydrophobicContact CG-CD2 3.76Å; P1048-Y1090 HydrophobicContact CG-CE1 3.9Å; P1048-Y1090 HydrophobicContact CG-CE2 4.02Å; P1048-Y1090 HydrophobicContact CG-CG 3.56Å; Y1066-Y1090 HydrophobicContact CD1-CE1 4.35Å; Y1066-Y1090 HydrophobicContact CE1-CD1 4.1Å; Y1066-Y1090 AromaticContact CE1-CE1 3.69Å; Y1066-Y1090 HydrophobicContact CE1-CE1 3.69Å; Y1066-Y1090 HydrophobicContact CE2-CD1 4.24Å; Y1066-Y1090 AromaticContact CZ-CD1 3.71Å; Y1066-Y1090 AromaticContact CZ-CE1 3.81Å; K1088-Y1090 PolarHBondContact O-N 2.76Å; Y1090-Y1092 WeakPolarHBondContact O-CD2 3.47Å
1091V97.8Very high89.7Confident7 Ų753.6 Ų53.64%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-98.4138.7175.9-177.60000111.8T1037 E1042 F1043 K1044 K1084 V1085 K1088 R1089T1037-V1091 HydrophobicContact CG2-CG1 4.25Å; E1042-V1091 HydrophobicContact CG-CG1 3.32Å; E1042-V1091 WeakPolarHBondContact OE1-CG1 3.11Å; F1043-V1091 WeakPolarHBondContact O-CA 3.36Å; K1044-V1091 HydrophobicContact CB-CG2 3.97Å; K1044-V1091 HydrophobicContact CD-CG2 4.08Å; K1044-V1091 HydrophobicContact CG-CG2 3.83Å; K1084-V1091 PolarHBondContact NZ-O 2.83Å; V1085-V1091 HydrophobicContact CB-CB 4.43Å; V1085-V1091 HydrophobicContact CB-CG1 4.03Å; V1085-V1091 HydrophobicContact CG2-CG1 3.97Å; V1085-V1091 PolarHBondContact N-O 2.89Å; K1088-V1091 HydrophobicContact CB-CB 3.63Å; K1088-V1091 HydrophobicContact CB-CG1 4.32Å; K1088-V1091 HydrophobicContact CB-CG2 3.7Å; K1088-V1091 HydrophobicContact CD-CB 4.13Å; K1088-V1091 HydrophobicContact CD-CG1 3.92Å; K1088-V1091 HydrophobicContact CD-CG2 4.15Å; R1089-V1091 PolarHBondContact O-N 3.11Å; R1089-V1091 VanDerWaalsContact O-N 3.08Å
1092Y98.1Very high88.8Confident4 Ų453.7 Ų53.72%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-140.6162.4-175.7-65-85.9000109.6E1042 F1043 L1045 Y1066 L1073 Y1077 I1082 E1083 K1084 Y1090E1042-Y1092 CarbonylContact C-O 3.19Å; E1042-Y1092 WeakPolarHBondContact CA-O 3.12Å; F1043-Y1092 HydrophobicContact CE2-CD2 4.29Å; F1043-Y1092 HydrophobicContact CE2-CG 4.37Å; F1043-Y1092 VanDerWaalsContact CZ-CB 3.46Å; F1043-Y1092 HydrophobicContact CZ-CG 4.23Å; F1043-Y1092 PolarHBondContact N-O 3.48Å; F1043-Y1092 PolarHBondContact O-N 3.04Å; F1043-Y1092 VanDerWaalsContact O-O 3.1Å; L1045-Y1092 HydrophobicContact CD1-CD2 4.48Å; L1045-Y1092 HydrophobicContact CD1-CE2 4.01Å; L1045-Y1092 HydrophobicContact CG-CE2 4.48Å; Y1066-Y1092 PolarHBondContact OH-OH 3.45Å; L1073-Y1092 HydrophobicContact CB-CE1 4.12Å; L1073-Y1092 HydrophobicContact CD1-CD1 4.15Å; L1073-Y1092 HydrophobicContact CD1-CD2 4.11Å; L1073-Y1092 HydrophobicContact CD1-CE1 3.7Å; L1073-Y1092 HydrophobicContact CD1-CE2 3.67Å; L1073-Y1092 HydrophobicContact CD1-CG 4.34Å; L1073-Y1092 VanDerWaalsContact CD1-CZ 3.45Å; L1073-Y1092 HydrophobicContact CG-CE1 4.46Å; Y1077-Y1092 HydrophobicContact CE1-CE1 4.45Å; I1082-Y1092 HydrophobicContact CG2-CD1 4.08Å; I1082-Y1092 HydrophobicContact CG2-CG 4.39Å; E1083-Y1092 WeakPolarHBondContact O-CA 3.29Å; K1084-Y1092 HydrophobicContact CD-CD1 3.94Å; K1084-Y1092 HydrophobicContact CD-CE1 3.43Å; K1084-Y1092 VanDerWaalsContact CD-CE1 3.43Å; Y1090-Y1092 WeakPolarHBondContact O-CD2 3.47Å
1093R95.8Very high87.4Confident84 Ų8457.3 Ų57.332%0.31730%0.296SS..EExtended strand (participates in β ladder)trans-134.7144.2175.4171.4173.360.6-134-0.1110.5E1040 N1041 E1042 I1082 E1083 V1085E1040-R1093 WeakPolarHBondContact O-CD 3.31Å; N1041-R1093 HydrophobicContact CB-CG 4.14Å; N1041-R1093 CarbonylContact O-C 3.35Å; N1041-R1093 VanDerWaalsContact O-CA 3.29Å; N1041-R1093 WeakPolarHBondContact O-CA 3.47Å; E1042-R1093 HydrophobicContact CB-CB 4.45Å; I1082-R1093 CarbonylContact C-O 3.52Å; I1082-R1093 VanDerWaalsContact CA-O 3.23Å; I1082-R1093 WeakPolarHBondContact CA-O 3.44Å; E1083-R1093 VanDerWaalsContact CD-NH2 3.25Å; E1083-R1093 HydrophobicContact CG-CB 3.9Å; E1083-R1093 HydrophobicContact CG-CG 4.48Å; E1083-R1093 PolarHBondContact N-O 3.21Å; E1083-R1093 PolarHBondContact O-N 2.97Å; E1083-R1093 IonicContact OE1-CZ 3.64Å; E1083-R1093 IonicContact OE1-NE 2.77Å; E1083-R1093 PolarHBondContact OE1-NE 3.47Å; E1083-R1093 IonicContact OE1-NH2 3.58Å; E1083-R1093 IonicContact OE2-CZ 2.73Å; E1083-R1093 IonicContact OE2-NE 3.86Å; E1083-R1093 IonicContact OE2-NH2 3.87Å; E1083-R1093 PolarHBondContact OE2-NH2 3.1Å; V1085-R1093 HydrophobicContact CG2-CB 4.11Å
1094F95.8Very high85.9Confident2 Ų258 Ų581%0.00930%0.302CS..EExtended strand (participates in β ladder)trans-80117165.5-69.4-94.7000109.5W1018 L1022 L1025 W1036 N1041 F1043 I1081 I1082 L1098 L1101W1018-F1094 HydrophobicContact CB-CE1 4.24Å; W1018-F1094 HydrophobicContact CE3-CE1 4.31Å; L1022-F1094 HydrophobicContact CB-CZ 4.25Å; L1025-F1094 HydrophobicContact CD1-CE2 3.91Å; W1036-F1094 HydrophobicContact CH2-CD2 4.01Å; W1036-F1094 HydrophobicContact CH2-CE2 4.04Å; W1036-F1094 HydrophobicContact CZ3-CD2 4.13Å; W1036-F1094 HydrophobicContact CZ3-CE2 4.41Å; N1041-F1094 HydrophobicContact CB-CB 4.12Å; N1041-F1094 WeakPolarHBondContact CB-O 3.32Å; N1041-F1094 PolarHBondContact O-N 2.99Å; F1043-F1094 AromaticContact CD1-CD2 3.75Å; F1043-F1094 HydrophobicContact CD1-CD2 3.75Å; F1043-F1094 AromaticContact CD1-CE2 3.62Å; F1043-F1094 HydrophobicContact CD1-CE2 3.62Å; F1043-F1094 AromaticContact CE1-CD2 3.59Å; F1043-F1094 HydrophobicContact CE1-CD2 3.59Å; F1043-F1094 AromaticContact CE1-CE2 3.36Å; F1043-F1094 HydrophobicContact CE1-CE2 3.36Å; F1043-F1094 HydrophobicContact CE1-CG 4.46Å; F1043-F1094 HydrophobicContact CE1-CZ 4.1Å; F1043-F1094 HydrophobicContact CZ-CE2 4.13Å; I1081-F1094 WeakPolarHBondContact O-CA 3.46Å; I1082-F1094 HydrophobicContact CD1-CD1 4.23Å; I1082-F1094 HydrophobicContact CD1-CE1 3.72Å; I1082-F1094 HydrophobicContact CD1-CZ 4.02Å; I1082-F1094 HydrophobicContact CG1-CD1 3.58Å; I1082-F1094 HydrophobicContact CG1-CE1 3.62Å; I1082-F1094 HydrophobicContact CG1-CG 4.14Å; I1082-F1094 HydrophobicContact CG1-CZ 4.18Å; F1094-L1098 HydrophobicContact CB-CD2 4.03Å; F1094-L1098 HydrophobicContact CD1-CD2 4Å; F1094-L1098 HydrophobicContact CD2-CD2 4.22Å; F1094-L1098 HydrophobicContact CE1-CD2 4.48Å; F1094-L1098 HydrophobicContact CG-CD2 3.85Å; F1094-L1101 HydrophobicContact CD1-CD1 3.78Å
1095T90.3Very high84.1Confident55 Ų5557.1 Ų57.134%0.33730%0.298SS..  trans-78.6-36.7-171.2-49.40000112.9K1080 I1081 E1083K1080-T1095 HydrophobicContact CB-CG2 4.31Å; K1080-T1095 HydrophobicContact CD-CG2 4.39Å; I1081-T1095 PolarHBondContact O-N 2.89Å; I1081-T1095 VanDerWaalsContact O-N 3.14Å; E1083-T1095 WeakPolarHBondContact CB-OG1 3.2Å; E1083-T1095 WeakPolarHBondContact CG-OG1 2.98Å; E1083-T1095 WeakPolarHBondContact OE1-CA 3.5Å; E1083-T1095 VanDerWaalsContact OE1-CB 3.3Å; E1083-T1095 WeakPolarHBondContact OE1-CB 2.94Å; E1083-T1095 WeakPolarHBondContact OE1-CG2 3.28Å; E1083-T1095 PolarHBondContact OE1-OG1 3.06Å
1096R78.2Confident81.9Confident75 Ų7561.5 Ų61.528%0.28332%0.321SS..SBendtrans-87.8150.8173.8-108.9-175.8-75-177.8-9.2110.2K1079 K1080 L1098 E1100 L1101 N1104K1079-R1096 PolarHBondContact O-NH2 2.8Å; K1080-R1096 PolarHBondContact O-NE 3.33Å; R1096-L1098 PolarHBondContact O-N 3.05Å; R1096-E1100 WeakPolarHBondContact CD-OE2 3.05Å; R1096-E1100 WeakPolarHBondContact CG-OE2 3.49Å; R1096-L1101 HydrophobicContact CB-CD1 4.34Å; R1096-L1101 HydrophobicContact CB-CD2 3.75Å; R1096-L1101 HydrophobicContact CB-CG 3.84Å; R1096-N1104 PolarHBondContact NH1-ND2 3.37Å
1097N77.4Confident79.6Confident83 Ų8360.2 Ų60.244%0.44431%0.308SS..  trans-54.8129.9169.7-167.8-33.5000108.7N1099 E1100 L1101N1097-N1099 PolarHBondContact O-N 3.43Å; N1097-N1099 VanDerWaalsContact O-N 3.1Å; N1097-N1099 PolarHBondContact OD1-N 3.48Å; N1097-E1100 HydrophobicContact CB-CG 4.31Å; N1097-E1100 WeakPolarHBondContact O-CB 3.49Å; N1097-E1100 PolarHBondContact O-N 2.8Å; N1097-L1101 PolarHBondContact O-N 2.86Å
1098L76.6Confident77.1Confident11 Ų1161.4 Ų61.46%0.05829%0.29CS..Hα-helixtrans-55.3-35.3-174.1-69.5171.3000111.3L1022 W1036 F1094 R1096 E1100 L1101 I1102L1022-L1098 HydrophobicContact CD1-CD1 4.07Å; L1022-L1098 HydrophobicContact CD1-CD2 3.82Å; L1022-L1098 HydrophobicContact CD2-CD2 4.09Å; W1036-L1098 HydrophobicContact CH2-CD1 4.3Å; F1094-L1098 HydrophobicContact CB-CD2 4.03Å; F1094-L1098 HydrophobicContact CD1-CD2 4Å; F1094-L1098 HydrophobicContact CD2-CD2 4.22Å; F1094-L1098 HydrophobicContact CE1-CD2 4.48Å; F1094-L1098 HydrophobicContact CG-CD2 3.85Å; R1096-L1098 PolarHBondContact O-N 3.05Å; L1098-E1100 VanDerWaalsContact C-N 3.3Å; L1098-E1100 PolarHBondContact O-N 2.89Å; L1098-L1101 HydrophobicContact CD2-CD1 4.42Å; L1098-L1101 PolarHBondContact O-N 3.05Å; L1098-L1101 VanDerWaalsContact O-N 3.14Å; L1098-I1102 VanDerWaalsContact O-CD1 3.31Å; L1098-I1102 WeakPolarHBondContact O-CD1 3.45Å; L1098-I1102 WeakPolarHBondContact O-CG1 3.46Å; L1098-I1102 PolarHBondContact O-N 3.14Å
1099N68Low74.5Confident22 Ų2260.4 Ų60.412%0.11829%0.294CS..Hα-helixtrans-58.5-38.2176.2-61.5-22.9000112.5N1097 N1103 H1140N1097-N1099 PolarHBondContact O-N 3.43Å; N1097-N1099 VanDerWaalsContact O-N 3.1Å; N1097-N1099 PolarHBondContact OD1-N 3.48Å; N1099-N1103 VanDerWaalsContact O-CB 3.29Å; N1099-N1103 WeakPolarHBondContact O-CB 3.42Å; N1099-N1103 PolarHBondContact O-N 3.35Å; N1099-N1103 PolarHBondContact O-ND2 3.42Å; N1099-H1140 PolarHBondContact ND2-CD2 3.1Å; N1099-H1140 PolarHBondContact ND2-NE2 2.61Å; N1099-H1140 VanDerWaalsContact ND2-NE2 3.14Å
1100E71.8Confident72Confident92 Ų9256.4 Ų56.443%0.4329%0.289SS..Hα-helixtrans-70.7-41.4174.8-66.4170.4-134.400112R1096 N1097 L1098 I1102 N1103 N1104R1096-E1100 WeakPolarHBondContact CD-OE2 3.05Å; R1096-E1100 WeakPolarHBondContact CG-OE2 3.49Å; N1097-E1100 HydrophobicContact CB-CG 4.31Å; N1097-E1100 WeakPolarHBondContact O-CB 3.49Å; N1097-E1100 PolarHBondContact O-N 2.8Å; L1098-E1100 VanDerWaalsContact C-N 3.3Å; L1098-E1100 PolarHBondContact O-N 2.89Å; E1100-I1102 VanDerWaalsContact C-N 3.25Å; E1100-I1102 PolarHBondContact O-N 3.03Å; E1100-N1103 PolarHBondContact O-N 2.77Å; E1100-N1104 WeakPolarHBondContact O-CB 3.45Å; E1100-N1104 PolarHBondContact O-N 3.17Å; E1100-N1104 PolarHBondContact O-ND2 2.9Å
1101L72.5Confident69Low4 Ų456.6 Ų56.62%0.02130%0.301CS..Hα-helixtrans-62.1-38.2178.2-65179.3000111.4W1018 I1081 F1094 R1096 N1097 L1098W1018-L1101 HydrophobicContact CH2-CB 3.82Å; W1018-L1101 WeakPolarHBondContact CH2-O 3.39Å; W1018-L1101 HydrophobicContact CZ2-CB 4.44Å; W1018-L1101 HydrophobicContact CZ3-CB 3.87Å; I1081-L1101 HydrophobicContact CB-CD2 4.22Å; I1081-L1101 HydrophobicContact CG1-CD2 3.88Å; I1081-L1101 HydrophobicContact CG2-CD1 4.02Å; I1081-L1101 HydrophobicContact CG2-CD2 4.01Å; F1094-L1101 HydrophobicContact CD1-CD1 3.78Å; R1096-L1101 HydrophobicContact CB-CD1 4.34Å; R1096-L1101 HydrophobicContact CB-CD2 3.75Å; R1096-L1101 HydrophobicContact CB-CG 3.84Å; N1097-L1101 PolarHBondContact O-N 2.86Å; L1098-L1101 HydrophobicContact CD2-CD1 4.42Å; L1098-L1101 PolarHBondContact O-N 3.05Å; L1098-L1101 VanDerWaalsContact O-N 3.14Å
1102I75.4Confident66.1Low20 Ų2060.8 Ų60.810%0.10333%0.331CS..Hα-helixtrans-66.9-53174.7-65.3161.4000110.4I1005 L1098 E1100 N1104 Q1105 F1139I1005-I1102 HydrophobicContact CD1-CB 4.26Å; I1005-I1102 HydrophobicContact CD1-CD1 3.73Å; I1005-I1102 HydrophobicContact CD1-CG1 3.61Å; I1005-I1102 HydrophobicContact CD1-CG2 3.65Å; I1005-I1102 HydrophobicContact CG1-CG2 4.08Å; L1098-I1102 VanDerWaalsContact O-CD1 3.31Å; L1098-I1102 WeakPolarHBondContact O-CD1 3.45Å; L1098-I1102 WeakPolarHBondContact O-CG1 3.46Å; L1098-I1102 PolarHBondContact O-N 3.14Å; E1100-I1102 VanDerWaalsContact C-N 3.25Å; E1100-I1102 PolarHBondContact O-N 3.03Å; I1102-N1104 PolarHBondContact O-N 3.12Å; I1102-Q1105 PolarHBondContact O-N 2.94Å; I1102-F1139 HydrophobicContact CD1-CE1 3.86Å; I1102-F1139 HydrophobicContact CD1-CZ 4.35Å
1103N66.8Low63.2Low75 Ų7564.5 Ų64.540%0.40136%0.358SS..Hα-helixtrans-65.1-35.3-176.2-70.1-17.3000112.9N1099 E1100 Q1105 L1106 T1107N1099-N1103 VanDerWaalsContact O-CB 3.29Å; N1099-N1103 WeakPolarHBondContact O-CB 3.42Å; N1099-N1103 PolarHBondContact O-N 3.35Å; N1099-N1103 PolarHBondContact O-ND2 3.42Å; E1100-N1103 PolarHBondContact O-N 2.77Å; N1103-Q1105 PolarHBondContact O-N 3.47Å; N1103-L1106 WeakPolarHBondContact O-CB 3.35Å; N1103-L1106 PolarHBondContact O-N 3.37Å; N1103-T1107 PolarHBondContact O-N 2.91Å
1104N62.8Low60.2Low64 Ų6464.4 Ų64.434%0.34237%0.37SS..Hα-helixtrans-66.6-20.9177.6-76.9-60.9000113.5R1096 E1100 I1102 L1106 T1107 E1108R1096-N1104 PolarHBondContact NH1-ND2 3.37Å; E1100-N1104 WeakPolarHBondContact O-CB 3.45Å; E1100-N1104 PolarHBondContact O-N 3.17Å; E1100-N1104 PolarHBondContact O-ND2 2.9Å; I1102-N1104 PolarHBondContact O-N 3.12Å; N1104-L1106 VanDerWaalsContact C-N 3.34Å; N1104-T1107 WeakPolarHBondContact CA-OG1 3.14Å; N1104-T1107 PolarHBondContact O-OG1 3.44Å; N1104-T1107 VanDerWaalsContact O-OG1 3.05Å; N1104-E1108 WeakPolarHBondContact O-CG 3.17Å; N1104-E1108 PolarHBondContact O-N 2.94Å
1105Q60.8Low57.2Low47 Ų4769.8 Ų69.822%0.2241%0.407CS..Hα-helixtrans-73.5-28171.3-67.9-68.6-8500112.6W1018 Q1019 I1102 N1103 T1107 E1108 S1109W1018-Q1105 HydrophobicContact CH2-CG 4.14Å; W1018-Q1105 HydrophobicContact CZ2-CG 3.65Å; Q1019-Q1105 VanDerWaalsContact NE2-OE1 3.08Å; I1102-Q1105 PolarHBondContact O-N 2.94Å; N1103-Q1105 PolarHBondContact O-N 3.47Å; Q1105-T1107 VanDerWaalsContact C-N 3.34Å; Q1105-E1108 PolarHBondContact NE2-OE2 3.48Å; Q1105-S1109 PolarHBondContact O-N 3.5Å; Q1105-S1109 PolarHBondContact O-OG 2.76Å
1106L50.4Low54.4Low110 Ų11071.8 Ų71.858%0.57642%0.424SS*.Hα-helixtrans-77.6-21177.4-59.9174.5000112.1N1103 N1104 S1109 V1110N1103-L1106 WeakPolarHBondContact O-CB 3.35Å; N1103-L1106 PolarHBondContact O-N 3.37Å; N1104-L1106 VanDerWaalsContact C-N 3.34Å; L1106-S1109 PolarHBondContact O-OG 3.21Å; L1106-V1110 WeakPolarHBondContact O-CG2 3.26Å
1107T45.8Very low52.2Low82 Ų8276.2 Ų76.250%0.50345%0.452SS..Hα-helixtrans-88.6-4317553.70000112.3N1103 N1104 Q1105 S1109 V1110 S1111N1103-T1107 PolarHBondContact O-N 2.91Å; N1104-T1107 WeakPolarHBondContact CA-OG1 3.14Å; N1104-T1107 PolarHBondContact O-OG1 3.44Å; N1104-T1107 VanDerWaalsContact O-OG1 3.05Å; Q1105-T1107 VanDerWaalsContact C-N 3.34Å; T1107-S1109 VanDerWaalsContact C-N 3.25Å; T1107-S1109 PolarHBondContact O-N 3.24Å; T1107-V1110 PolarHBondContact O-N 3.28Å; T1107-S1111 PolarHBondContact O-N 2.8Å; T1107-S1111 VanDerWaalsContact O-N 3.13Å; T1107-S1111 PolarHBondContact O-OG 3.12Å; T1107-S1111 VanDerWaalsContact O-OG 3.13Å
1108E42.5Very low50Low113 Ų11377.4 Ų77.453%0.52847%0.467SS..Hα-helixtrans-56.2-38.9176.4-77.3-176.8154.600112.2N1104 Q1105 V1110 S1111 S1112N1104-E1108 WeakPolarHBondContact O-CG 3.17Å; N1104-E1108 PolarHBondContact O-N 2.94Å; Q1105-E1108 PolarHBondContact NE2-OE2 3.48Å; E1108-V1110 PolarHBondContact O-N 2.83Å; E1108-S1111 WeakPolarHBondContact CA-OG 3.18Å; E1108-S1111 PolarHBondContact O-N 3.13Å; E1108-S1111 PolarHBondContact O-OG 3.05Å; E1108-S1112 PolarHBondContact O-N 2.96Å; E1108-S1112 PolarHBondContact O-OG 3.5Å
1109S41.9Very low48Very low63 Ų6382.2 Ų82.244%0.44150%0.502SS..Hα-helixtrans-71.6-22.2-178.545.50000115.2Q1105 L1106 T1107 S1113Q1105-S1109 PolarHBondContact O-N 3.5Å; Q1105-S1109 PolarHBondContact O-OG 2.76Å; L1106-S1109 PolarHBondContact O-OG 3.21Å; T1107-S1109 VanDerWaalsContact C-N 3.25Å; T1107-S1109 PolarHBondContact O-N 3.24Å; S1109-S1113 PolarHBondContact O-OG 2.65Å
1110V45.1Very low46.3Very low96 Ų9686.4 Ų86.458%0.58253%0.533SS*.Hα-helixtrans-90-32.9175.2178.90000111.3L1106 T1107 E1108 S1112 S1113 S1114L1106-V1110 WeakPolarHBondContact O-CG2 3.26Å; T1107-V1110 PolarHBondContact O-N 3.28Å; E1108-V1110 PolarHBondContact O-N 2.83Å; V1110-S1112 VanDerWaalsContact C-N 3.34Å; V1110-S1112 PolarHBondContact O-N 3.14Å; V1110-S1113 PolarHBondContact O-OG 2.75Å; V1110-S1114 PolarHBondContact O-OG 3.01Å
1111S35.4Very low44.4Very low80 Ų8088.4 Ų88.456%0.55955%0.551SS**Hα-helixtrans-74.4-19177.554.60000114.7T1107 E1108T1107-S1111 PolarHBondContact O-N 2.8Å; T1107-S1111 VanDerWaalsContact O-N 3.13Å; T1107-S1111 PolarHBondContact O-OG 3.12Å; T1107-S1111 VanDerWaalsContact O-OG 3.13Å; E1108-S1111 WeakPolarHBondContact CA-OG 3.18Å; E1108-S1111 PolarHBondContact O-N 3.13Å; E1108-S1111 PolarHBondContact O-OG 3.05Å
1112S35.8Very low42.3Very low94 Ų9493.1 Ų93.166%0.65759%0.585SS**THydrogen-bonded Turntrans-93.63.7177.761.30000114.6E1108 V1110E1108-S1112 PolarHBondContact O-N 2.96Å; E1108-S1112 PolarHBondContact O-OG 3.5Å; V1110-S1112 VanDerWaalsContact C-N 3.34Å; V1110-S1112 PolarHBondContact O-N 3.14Å
1113S37.7Very low40Very low83 Ų8398.3 Ų98.358%0.5862%0.617SS**SBendtrans-1272.5-174.448.90000114S1109 V1110S1109-S1113 PolarHBondContact O-OG 2.65Å; V1110-S1113 PolarHBondContact O-OG 2.75Å
1114S33.3Very low38.3Very low82 Ų82101 Ų10157%0.57364%0.636SS**SBendtrans-111.91.3-169.9390000115.1V1110V1110-S1114 PolarHBondContact O-OG 3.01Å
1115S33Very low36.7Very low114 Ų114103.1 Ų103.180%0.79766%0.656SS**SBendtrans-92.612-178.1620000115
1116S31.5Very low35.2Very low97 Ų97106.2 Ų106.268%0.67868%0.683SS**SBendtrans-144.241.6-172.970.70000115.5
1117L31.8Very low34.3Very low168 Ų168108.1 Ų108.188%0.8869%0.693SS**  trans-160.6124.5147.2-135.768.8000110.9
1118S32Very low33.6Very low108 Ų108111.5 Ų111.576%0.75571%0.713SS**  trans-142.8138.1173.260.70000109
1119S33Very low33.3Very low113 Ų113110.8 Ų110.879%0.7972%0.717SS**  trans60.4133.1-154.175.80000112.9
1120S32.5Very low32.7Very low110 Ų110111.8 Ų111.877%0.76972%0.724SS**  cis-153.4169.3-6.456.40000107.7
1121T32.4Very low32.2Very low133 Ų133111.5 Ų111.582%0.81673%0.726SS**  cis-139.3168.316450000111.6
1122S27.5Very low32.2Very low104 Ų104112 Ų11273%0.72773%0.73SS**  trans-88.7130.9174.853.40000114.2
1123T28.6Very low32.2Very low129 Ų129113.2 Ų113.279%0.79173%0.728SS**  172.7160.9124.4310000113.7
1124T30.4Very low32Very low130 Ų130118.1 Ų118.180%0.79873%0.733SS**  trans82.3139.6168.272.40000121.2
1125S29.1Very low32.2Very low109 Ų109121.3 Ų121.376%0.76274%0.737SS**  trans57.985.6159.638.30000120.3
1126S30Very low32.3Very low112 Ų112119.4 Ų119.478%0.78372%0.718SS**  trans-43.9130.9141.250.60000114.1
1127L30Very low32.5Very low151 Ų151120.3 Ų120.379%0.79171%0.711SS**  trans179.686.5144.9-102.2162.4000111.2
1128V32.9Very low32.6Very low152 Ų152119.6 Ų119.692%0.92170%0.703SS**  trans-133.464.1169.4-167.30000109.4
1129T34.5Very low32.9Very low98 Ų98115.8 Ų115.860%0.60167%0.673SS**  trans-121.2148.4-171.939.40000113.7S1131T1129-S1131 VanDerWaalsContact C-N 3.35Å; T1129-S1131 PolarHBondContact O-N 2.92Å
1130S30.3Very low33.2Very low84 Ų84114 Ų11459%0.58765%0.652SS**SBendtrans70.2-21.4157.8-52.90000120.7
1131S34.8Very low33.6Very low90 Ų90113.7 Ų113.763%0.62964%0.642SS**Hα-helixtrans-80.1-45.7-173.759.40000114.9T1129T1129-S1131 VanDerWaalsContact C-N 3.35Å; T1129-S1131 PolarHBondContact O-N 2.92Å
1132S35.4Very low34Very low91 Ų91109.7 Ų109.764%0.63661%0.613SS**Hα-helixtrans-73.8-26.6-175.3-58.80000114.5
1133I35.1Very low34.9Very low120 Ų120106.3 Ų106.362%0.61559%0.586SS**Hα-helixtrans-72.5-40.2-173.5-63.7174.2000111.8K1135 N1136I1133-K1135 VanDerWaalsContact C-N 3.28Å; I1133-K1135 PolarHBondContact O-N 3.05Å; I1133-N1136 PolarHBondContact O-N 2.85Å
1134R34.5Very low35.7Very low185 Ų185104.3 Ų104.370%0.69857%0.571SS**Hα-helixtrans-62.2-31.6-177.8-68.5-171.4-179.2-166.30.7113.5N1136 Q1137R1134-N1136 PolarHBondContact O-N 3.03Å; R1134-Q1137 PolarHBondContact O-N 2.78Å
1135K36Very low36.1Very low149 Ų149103 Ų10365%0.64856%0.557SS**Hα-helixtrans-68.1-33.7179.5-68.9-172.5177.4-177.20112.7I1133I1133-K1135 VanDerWaalsContact C-N 3.28Å; I1133-K1135 PolarHBondContact O-N 3.05Å
1136N35.7Very low37Very low75 Ų75102.5 Ų102.540%0.40154%0.541SS..Hα-helixtrans-73.3-33.6178.2-74.3-4.9000112.3I1133 R1134 H1138 F1139 H1140I1133-N1136 PolarHBondContact O-N 2.85Å; R1134-N1136 PolarHBondContact O-N 3.03Å; N1136-H1138 VanDerWaalsContact C-N 3.32Å; N1136-H1138 PolarHBondContact O-N 3.4Å; N1136-F1139 PolarHBondContact O-N 2.95Å; N1136-H1140 WeakPolarHBondContact O-CB 3.12Å; N1136-H1140 PolarHBondContact O-N 2.94Å
1137Q36Very low37.5Very low115 Ų115100.4 Ų100.454%0.53752%0.521SS..Hα-helixtrans-60.2-40.6175-70177.3-50.100112R1134 F1139 H1140 N1141R1134-Q1137 PolarHBondContact O-N 2.78Å; Q1137-F1139 PolarHBondContact O-N 2.97Å; Q1137-H1140 PolarHBondContact O-N 3.18Å; Q1137-N1141 WeakPolarHBondContact O-CB 3.5Å; Q1137-N1141 VanDerWaalsContact O-CG 3.28Å; Q1137-N1141 PolarHBondContact O-N 2.83Å; Q1137-N1141 PolarHBondContact O-OD1 3.17Å
1138H34.6Very low37.8Very low153 Ų15399.9 Ų99.971%0.70851%0.512SS*.Hα-helixtrans-64.6-38.9178.8-122.7-64.6000113N1136 F1142N1136-H1138 VanDerWaalsContact C-N 3.32Å; N1136-H1138 PolarHBondContact O-N 3.4Å; H1138-F1142 WeakPolarHBondContact O-CB 3.24Å; H1138-F1142 PolarHBondContact O-N 3.28Å; H1138-F1142 VanDerWaalsContact O-N 3.1Å
1139F38.1Very low38.1Very low29 Ų2999.3 Ų99.313%0.12750%0.498CS..Hα-helixtrans-69.4-41.7174.4-179.5-103000112C1003 I1102 N1136 Q1137 N1141 F1142 M1143C1003-F1139 WeakPolarHBondContact SG-CE2 3.33Å; I1102-F1139 HydrophobicContact CD1-CE1 3.86Å; I1102-F1139 HydrophobicContact CD1-CZ 4.35Å; N1136-F1139 PolarHBondContact O-N 2.95Å; Q1137-F1139 PolarHBondContact O-N 2.97Å; F1139-N1141 PolarHBondContact O-N 2.78Å; F1139-F1142 PolarHBondContact O-N 3.18Å; F1139-M1143 HydrophobicContact CE1-CG 3.97Å; F1139-M1143 HydrophobicContact CE2-CE 3.79Å; F1139-M1143 HydrophobicContact CE2-CG 4.03Å; F1139-M1143 HydrophobicContact CZ-CE 3.53Å; F1139-M1143 HydrophobicContact CZ-CG 3.72Å; F1139-M1143 HydrophobicContact CZ-SD 4.49Å; F1139-M1143 PolarHBondContact O-N 3.3Å
1140H38.3Very low38.7Very low76 Ų76100.1 Ų100.135%0.35249%0.49SS..Hα-helixtrans-61.3-43.1177.4-159.7-49.4000111.8N1099 N1136 Q1137 N1144N1099-H1140 PolarHBondContact ND2-CD2 3.1Å; N1099-H1140 PolarHBondContact ND2-NE2 2.61Å; N1099-H1140 VanDerWaalsContact ND2-NE2 3.14Å; N1136-H1140 WeakPolarHBondContact O-CB 3.12Å; N1136-H1140 PolarHBondContact O-N 2.94Å; Q1137-H1140 PolarHBondContact O-N 3.18Å; H1140-N1144 WeakPolarHBondContact O-CB 3.41Å; H1140-N1144 PolarHBondContact O-N 2.95Å
1141N40.6Very low39.1Very low102 Ų10299.3 Ų99.355%0.54548%0.484SS..Hα-helixtrans-65.6-38.6175-71-0.7000111.5Q1137 F1139 M1145Q1137-N1141 WeakPolarHBondContact O-CB 3.5Å; Q1137-N1141 VanDerWaalsContact O-CG 3.28Å; Q1137-N1141 PolarHBondContact O-N 2.83Å; Q1137-N1141 PolarHBondContact O-OD1 3.17Å; F1139-N1141 PolarHBondContact O-N 2.78Å; N1141-M1145 WeakPolarHBondContact O-CB 3.4Å; N1141-M1145 PolarHBondContact O-N 3.41Å
1142F42.6Very low39.1Very low50 Ų5099.2 Ų99.222%0.21948%0.476CS..Hα-helixtrans-69.5-42.5179.4-176.9-116.7000113.5F1001 H1138 F1139 M1145 K1146F1001-F1142 HydrophobicContact CD1-CD1 4.33Å; F1001-F1142 AromaticContact CD1-CE1 3.53Å; F1001-F1142 HydrophobicContact CD1-CE1 3.53Å; F1001-F1142 AromaticContact CD1-CE2 3.86Å; F1001-F1142 HydrophobicContact CD1-CE2 3.86Å; F1001-F1142 AromaticContact CD1-CZ 3.24Å; F1001-F1142 HydrophobicContact CD1-CZ 3.24Å; F1001-F1142 HydrophobicContact CD2-CZ 4.18Å; F1001-F1142 HydrophobicContact CE1-CD2 4.03Å; F1001-F1142 AromaticContact CE1-CE1 3.79Å; F1001-F1142 HydrophobicContact CE1-CE1 3.79Å; F1001-F1142 AromaticContact CE1-CE2 3.19Å; F1001-F1142 HydrophobicContact CE1-CE2 3.19Å; F1001-F1142 AromaticContact CE1-CZ 3.01Å; F1001-F1142 HydrophobicContact CE1-CZ 3.01Å; F1001-F1142 AromaticContact CE2-CZ 3.97Å; F1001-F1142 HydrophobicContact CE2-CZ 3.97Å; F1001-F1142 HydrophobicContact CG-CE1 4.11Å; F1001-F1142 AromaticContact CG-CZ 3.88Å; F1001-F1142 HydrophobicContact CG-CZ 3.88Å; F1001-F1142 HydrophobicContact CZ-CE1 4.49Å; F1001-F1142 AromaticContact CZ-CE2 3.59Å; F1001-F1142 HydrophobicContact CZ-CE2 3.59Å; F1001-F1142 AromaticContact CZ-CZ 3.42Å; F1001-F1142 HydrophobicContact CZ-CZ 3.42Å; F1001-F1142 VanDerWaalsContact CZ-CZ 3.42Å; H1138-F1142 WeakPolarHBondContact O-CB 3.24Å; H1138-F1142 PolarHBondContact O-N 3.28Å; H1138-F1142 VanDerWaalsContact O-N 3.1Å; F1139-F1142 PolarHBondContact O-N 3.18Å; F1142-M1145 HydrophobicContact CD2-CE 4.46Å; F1142-M1145 PolarHBondContact O-N 3.48Å; F1142-K1146 HydrophobicContact CD1-CD 4.49Å; F1142-K1146 HydrophobicContact CE1-CD 3.81Å; F1142-K1146 HydrophobicContact CE2-CD 4.29Å; F1142-K1146 HydrophobicContact CE2-CG 4.38Å; F1142-K1146 HydrophobicContact CZ-CD 3.7Å; F1142-K1146 HydrophobicContact CZ-CG 4.28Å; F1142-K1146 VanDerWaalsContact CZ-NZ 3.29Å; F1142-K1146 PolarHBondContact O-N 2.99Å
1143M46Very low39.3Very low32 Ų32102.2 Ų102.216%0.15848%0.479CS..Hα-helixtrans-67.7-43175.4-76-61.3-162.900111.7F1139 M1145 K1146 N1147F1139-M1143 HydrophobicContact CE1-CG 3.97Å; F1139-M1143 HydrophobicContact CE2-CE 3.79Å; F1139-M1143 HydrophobicContact CE2-CG 4.03Å; F1139-M1143 HydrophobicContact CZ-CE 3.53Å; F1139-M1143 HydrophobicContact CZ-CG 3.72Å; F1139-M1143 HydrophobicContact CZ-SD 4.49Å; F1139-M1143 PolarHBondContact O-N 3.3Å; M1143-M1145 VanDerWaalsContact C-N 3.35Å; M1143-M1145 PolarHBondContact O-N 2.82Å; M1143-K1146 PolarHBondContact O-N 2.66Å; M1143-N1147 PolarHBondContact O-N 3.44Å
1144N45.8Very low39.5Very low88 Ų88101.7 Ų101.747%0.47148%0.478SS..Hα-helixtrans-59.3-44.8171.9-81.58.3000111.4H1140 K1146 N1147 F1148H1140-N1144 WeakPolarHBondContact O-CB 3.41Å; H1140-N1144 PolarHBondContact O-N 2.95Å; N1144-K1146 PolarHBondContact O-N 3.36Å; N1144-N1147 PolarHBondContact O-N 2.77Å; N1144-F1148 WeakPolarHBondContact O-CB 3.15Å; N1144-F1148 PolarHBondContact O-N 3.48Å
1145M38.1Very low39.3Very low102 Ų10297.5 Ų97.550%0.50247%0.47SS..Hα-helixtrans-66.7-32.8179.5-177.9164.450.500113.1N1141 F1142 M1143 K1149N1141-M1145 WeakPolarHBondContact O-CB 3.4Å; N1141-M1145 PolarHBondContact O-N 3.41Å; F1142-M1145 HydrophobicContact CD2-CE 4.46Å; F1142-M1145 PolarHBondContact O-N 3.48Å; M1143-M1145 VanDerWaalsContact C-N 3.35Å; M1143-M1145 PolarHBondContact O-N 2.82Å; M1145-K1149 WeakPolarHBondContact O-CB 3.46Å; M1145-K1149 PolarHBondContact O-N 3.25Å
1146K46.9Very low39.1Very low99 Ų9997.4 Ų97.443%0.4348%0.476SS..Hα-helixtrans-68.8-40.5171.5-92.3-177.8167172.50112.5F1142 M1143 N1144 R1150F1142-K1146 HydrophobicContact CD1-CD 4.49Å; F1142-K1146 HydrophobicContact CE1-CD 3.81Å; F1142-K1146 HydrophobicContact CE2-CD 4.29Å; F1142-K1146 HydrophobicContact CE2-CG 4.38Å; F1142-K1146 HydrophobicContact CZ-CD 3.7Å; F1142-K1146 HydrophobicContact CZ-CG 4.28Å; F1142-K1146 VanDerWaalsContact CZ-NZ 3.29Å; F1142-K1146 PolarHBondContact O-N 2.99Å; M1143-K1146 PolarHBondContact O-N 2.66Å; N1144-K1146 PolarHBondContact O-N 3.36Å; K1146-R1150 WeakPolarHBondContact O-CB 3.19Å; K1146-R1150 WeakPolarHBondContact O-CG 3.4Å; K1146-R1150 PolarHBondContact O-N 3.03Å; K1146-R1150 VanDerWaalsContact O-N 3.12Å
1147N41.8Very low38.9Very low68 Ų6899.6 Ų99.636%0.36449%0.492SS..Hα-helixtrans-69.9-41.1176-71-7.4000111.3M1143 N1144 R1150 S1151M1143-N1147 PolarHBondContact O-N 3.44Å; N1144-N1147 PolarHBondContact O-N 2.77Å; N1147-R1150 PolarHBondContact O-N 2.82Å; N1147-S1151 PolarHBondContact O-N 3.38Å
1148F35.1Very low38.9Very low139 Ų139103 Ų10361%0.6150%0.5SS*.Hα-helixtrans-62.1-49.5175.3-171.8-110.6000111.8N1144 R1150 S1151 L1152N1144-F1148 WeakPolarHBondContact O-CB 3.15Å; N1144-F1148 PolarHBondContact O-N 3.48Å; F1148-R1150 PolarHBondContact O-N 2.88Å; F1148-S1151 PolarHBondContact O-N 2.98Å; F1148-S1151 VanDerWaalsContact O-N 3.17Å; F1148-L1152 HydrophobicContact CD1-CD1 3.83Å; F1148-L1152 HydrophobicContact CE1-CD1 3.65Å; F1148-L1152 HydrophobicContact CE1-CG 4.49Å; F1148-L1152 HydrophobicContact CZ-CD1 4.18Å; F1148-L1152 WeakPolarHBondContact O-CG 3.46Å; F1148-L1152 PolarHBondContact O-N 3.31Å
1149K41.1Very low38.8Very low141 Ų141100.5 Ų100.561%0.61350%0.496SS*.Hα-helixtrans-61.3-29173.8-79.6-164.7172.5-169.60113.5M1145 H1153M1145-K1149 WeakPolarHBondContact O-CB 3.46Å; M1145-K1149 PolarHBondContact O-N 3.25Å; K1149-H1153 WeakPolarHBondContact O-CB 3.35Å; K1149-H1153 PolarHBondContact O-N 3.3Å
1150R45.8Very low38.5Very low115 Ų115105.3 Ų105.343%0.43452%0.523SS..Hα-helixtrans-77.3-38.4172.8-81.7-178.7166.4169.8-3.6113.2K1146 N1147 F1148 L1152 H1153 N1154K1146-R1150 WeakPolarHBondContact O-CB 3.19Å; K1146-R1150 WeakPolarHBondContact O-CG 3.4Å; K1146-R1150 PolarHBondContact O-N 3.03Å; K1146-R1150 VanDerWaalsContact O-N 3.12Å; N1147-R1150 PolarHBondContact O-N 2.82Å; F1148-R1150 PolarHBondContact O-N 2.88Å; R1150-L1152 VanDerWaalsContact C-N 3.33Å; R1150-H1153 PolarHBondContact O-N 3.38Å; R1150-N1154 PolarHBondContact O-N 2.7Å; R1150-N1154 VanDerWaalsContact O-N 3.12Å
1151S38.6Very low38.3Very low66 Ų66109 Ų10946%0.46254%0.541SS..Hα-helixtrans-63-41.5174.2-167.10000111.3N1147 F1148 H1153 N1154 N1155N1147-S1151 PolarHBondContact O-N 3.38Å; F1148-S1151 PolarHBondContact O-N 2.98Å; F1148-S1151 VanDerWaalsContact O-N 3.17Å; S1151-H1153 VanDerWaalsContact C-N 3.33Å; S1151-N1154 PolarHBondContact O-N 3.46Å; S1151-N1155 PolarHBondContact O-N 3.01Å
1152L34.6Very low38Very low89 Ų89108.3 Ų108.347%0.46654%0.536SS..Hα-helixtrans-61.1-40.1171.7-73168.9000112F1148 R1150 N1154 N1155F1148-L1152 HydrophobicContact CD1-CD1 3.83Å; F1148-L1152 HydrophobicContact CE1-CD1 3.65Å; F1148-L1152 HydrophobicContact CE1-CG 4.49Å; F1148-L1152 HydrophobicContact CZ-CD1 4.18Å; F1148-L1152 WeakPolarHBondContact O-CG 3.46Å; F1148-L1152 PolarHBondContact O-N 3.31Å; R1150-L1152 VanDerWaalsContact C-N 3.33Å; L1152-N1154 VanDerWaalsContact C-N 3.31Å; L1152-N1154 PolarHBondContact O-N 2.98Å; L1152-N1155 PolarHBondContact O-N 3.48Å
1153H39.7Very low37.7Very low153 Ų153114.5 Ų114.571%0.70856%0.563SS**Hα-helixtrans-72.6-18.1179.8-115-61.4000115.2K1149 R1150 S1151K1149-H1153 WeakPolarHBondContact O-CB 3.35Å; K1149-H1153 PolarHBondContact O-N 3.3Å; R1150-H1153 PolarHBondContact O-N 3.38Å; S1151-H1153 VanDerWaalsContact C-N 3.33Å
1154N39.5Very low37.1Very low109 Ų109121.9 Ų121.958%0.58360%0.597SS**Hα-helixtrans-92.1-17.4177.4-71.5-8.6000112.9R1150 S1151 L1152R1150-N1154 PolarHBondContact O-N 2.7Å; R1150-N1154 VanDerWaalsContact O-N 3.12Å; S1151-N1154 PolarHBondContact O-N 3.46Å; L1152-N1154 VanDerWaalsContact C-N 3.31Å; L1152-N1154 PolarHBondContact O-N 2.98Å
1155N31.3Very low36.5Very low98 Ų98125.8 Ų125.852%0.52461%0.613SS.*  trans-10684.4-176.3-71.6-6.9000111.1S1151 L1152 T1157S1151-N1155 PolarHBondContact O-N 3.01Å; L1152-N1155 PolarHBondContact O-N 3.48Å; N1155-T1157 PolarHBondContact O-N 3.07Å
1156N30.7Very low36.3Very low146 Ų146130.5 Ų130.578%0.78164%0.638SS**  trans-68.946.7-175.7-81.7-20.6000116
1157T31.1Very low35.8Very low121 Ų121132.1 Ų132.174%0.74265%0.648SS**  trans-153.771.5177.155.10000114.2N1155N1155-T1157 PolarHBondContact O-N 3.07Å
1158W36.5Very low35.4Very low187 Ų187135.5 Ų135.571%0.70866%0.663SS**  trans-131.7130.8164.3-79.171.6000111I1162W1158-I1162 HydrophobicContact CE3-CB 4.49Å; W1158-I1162 HydrophobicContact CE3-CD1 4.22Å; W1158-I1162 HydrophobicContact CZ3-CB 4.43Å; W1158-I1162 HydrophobicContact CZ3-CD1 3.6Å; W1158-I1162 HydrophobicContact CZ3-CG2 4.29Å
1159T32.3Very low35.5Very low100 Ų100135.3 Ų135.361%0.61367%0.666SS**  trans-81.3166.7177.8450000111.5E1161T1159-E1161 PolarHBondContact O-N 3.19Å
1160N32.6Very low35.1Very low131 Ų131134.9 Ų134.970%0.70167%0.669SS**THydrogen-bonded Turntrans-73.39.7-169.8-58-67.4000115.4
1161E32.8Very low34.5Very low154 Ų154136.2 Ų136.272%0.7268%0.684SS**THydrogen-bonded Turntrans-89.8-16.7-168-69.6167.413200114T1159T1159-E1161 PolarHBondContact O-N 3.19Å
1162I35.5Very low34.2Very low87 Ų87140.9 Ų140.945%0.44670%0.699SS.*THydrogen-bonded Turntrans-108.437.7-175.2-67.5167.3000110.9W1158W1158-I1162 HydrophobicContact CE3-CB 4.49Å; W1158-I1162 HydrophobicContact CE3-CD1 4.22Å; W1158-I1162 HydrophobicContact CZ3-CB 4.43Å; W1158-I1162 HydrophobicContact CZ3-CD1 3.6Å; W1158-I1162 HydrophobicContact CZ3-CG2 4.29Å
1163F35Very low34.2Very low180 Ų180144.6 Ų144.679%0.78972%0.715SS**THydrogen-bonded Turntrans-119.70.9169.7-138.7-86.1000113
1164E33.9Very low33.7Very low186 Ų186143.9 Ų143.987%0.86972%0.716SS**SBendtrans-104.3-5.8174.6-73.3-84.8134.300112.6
1165E33.3Very low33.3Very low171 Ų171146.8 Ų146.880%0.79973%0.727SS**  trans-109.217.6-177.4-150.4174.8-151.800112.9
1166I34Very low33.4Very low201 Ų201151.3 Ų151.3100%1.03175%0.745SS**  trans-1360177.7-57.4-179.4000110.4

Retrieved 1,166 of 1,166 residues in 1310.3 ms (Link to these results)