A0A3Q0KPG2_SCHMA Loading...

Putative t-cell specific transcription factor, tcf

AlphaFold DB , UniProt , Accession A0A3Q0KPG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 829 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
1M36.4Very low38.6Very low240 Ų240143.2 Ų143.2100%1.18275%0.747SS**  0145.40-70.2157.2162.300107.1
2I45.4Very low38.4Very low175 Ų175142.1 Ų142.190%0.89774%0.742SS**  cis-90.4154.60.6-65.2169.4000110.3
3K36.8Very low38.3Very low171 Ų171143.1 Ų143.174%0.74375%0.746SS**  trans-141.8163.5-176.1-158.5-164.8175.6-170.90106.9
4N39.5Very low38.4Very low117 Ų117140.3 Ų140.363%0.62674%0.738SS**  trans71.4157.9169-51.3-9.8000115.2
5N39.3Very low38.4Very low133 Ų133142.7 Ų142.771%0.71174%0.743SS**  cis-155.3149.7-24.2-99.8-3.7000106.1
6S36.9Very low38.4Very low87 Ų87139.7 Ų139.761%0.60874%0.738SS**  cis86.3114.638.1-160.20000112.8
7L35.4Very low38.3Very low140 Ų140139.6 Ų139.673%0.73374%0.738SS**  trans65.9155.9174.1-72.477000116.6
8D38.7Very low38.3Very low122 Ų122141.5 Ų141.565%0.65274%0.742SS**  cis-166.9170.7-27-100-7.9000107.3
9D40.3Very low38.3Very low137 Ų137139.9 Ų139.973%0.73374%0.739SS**  trans50.8151.2141.4-78.19.2000123.1
10I38.9Very low38.4Very low125 Ų125142 Ų14264%0.64174%0.744SS**  cis-166.2165.7-24.7-126.1174.4000107.1
11N37.7Very low38.6Very low128 Ų128140 Ų14068%0.68474%0.743SS**  trans64.8105.1162.2-78.3-20.1000121.9
12N36.3Very low39.1Very low130 Ų130133.3 Ų133.370%0.69572%0.717SS**  77.3143.4111.4-75.9-27.4000124.5
13I36.6Very low38.8Very low155 Ų155131.2 Ų131.280%0.79571%0.707SS**  trans74.1138.2147.1-72.9159.3000118.2
14V39.4Very low38.9Very low104 Ų104131 Ų13163%0.6371%0.707SS**  cis-171.2157.4-35.9113.30000108.6
15H39.1Very low38.5Very low176 Ų176129.5 Ų129.582%0.81571%0.705SS**  trans69.6151.1175.3-64.9-32.9000116.6
16S38.2Very low38.3Very low95 Ų95131.3 Ų131.366%0.66471%0.714SS**  cis-154.8150.23.835.40000115.2
17N36.2Very low38.1Very low138 Ų138132.9 Ų132.974%0.73873%0.725SS**  trans73.7128.3141.1-66.6-7.1000124.5
18Q39Very low37.8Very low174 Ų174133.3 Ų133.381%0.81373%0.727SS**  trans72137.6146.4-66176.1-8.200118.3
19T38.6Very low37.5Very low111 Ų111133.8 Ų133.868%0.68173%0.734SS**  cis-157.3161.7-3.8-0.40000113.1
20H40.3Very low37.1Very low181 Ų181138 Ų13884%0.83874%0.741SS**  trans74.8161.1165.5-72.4-68.2000120
21S41.9Very low36.9Very low102 Ų102136.3 Ų136.371%0.71374%0.741SS**  trans-155.7-170.6-155.764.80000107.6
22P46Very low36.6Very low98 Ų98134.6 Ų134.664%0.63674%0.739SS**  cis-143.8156.67.839.6-19.3000118.9
23N39.8Very low36.4Very low131 Ų131133.2 Ų133.270%0.70174%0.735SS**  trans58.9146.6135.1-63.2-23.3000121.5
24K39.3Very low36.3Very low168 Ų168131.2 Ų131.273%0.7373%0.725SS**  cis-161.1146.7-1.6-118.1168.2-172.5-179.50112.9
25S32Very low36.2Very low85 Ų85132.2 Ų132.259%0.59472%0.721SS**  trans4.8127.3142.156.20000118.9
26L33.1Very low36.3Very low171 Ų171128 Ų12890%0.89571%0.712SS**  61.411675.1-68.9165.8000115.5
27S33.5Very low36.3Very low120 Ų120129.3 Ų129.384%0.83972%0.718SS**  -174.6160122.659.60000112.3
28L30Very low36Very low149 Ų149129.9 Ų129.978%0.7872%0.72SS**  trans-91.4157.9168.9-5881.8000109.6
29T32Very low35.7Very low131 Ų131129.8 Ų129.880%0.80472%0.717SS**  162.1138.3106.347.20000115.2
30Y31.5Very low35.3Very low225 Ų225130 Ų13088%0.88271%0.714SS**  trans72.2151.6142.7-109.5-116.6000125.3
31S33.7Very low35.1Very low91 Ų91130.4 Ų130.464%0.63672%0.716SS**  trans79.284.8152.1-85.20000123.9
32S32.6Very low34.5Very low91 Ų91131.5 Ų131.564%0.63671%0.71SS**  66.6118.710963.30000124.3
33T32.3Very low34Very low101 Ų101134.7 Ų134.762%0.6272%0.721SS**  trans80.9157.7137.758.70000122.9I607T33-I607 HydrophobicContact CG2-CD1 4.32Å
34I34.5Very low33.9Very low113 Ų113133.5 Ų133.558%0.57972%0.724SS**  trans103.5152.8165.1-64.3179.1000117.4P606 I607I34-P606 WeakPolarHBondContact CA-O 3.47Å; I34-P606 PolarHBondContact N-O 3.12Å; I34-I607 HydrophobicContact CG1-CB 4.08Å; I34-I607 HydrophobicContact CG1-CG2 4.05Å; I34-I607 WeakPolarHBondContact CG2-O 3.39Å
35K36.5Very low33.5Very low125 Ų125133.6 Ų133.654%0.54372%0.724SS.*  trans-76.1164-150.6-103.9170.4-170.2-172.90119.6I607K35-I607 WeakPolarHBondContact CB-O 3.38Å; K35-I607 WeakPolarHBondContact CD-O 3.25Å; K35-I607 WeakPolarHBondContact CG-O 2.96Å; K35-I607 PolarHBondContact N-O 3.09Å
36S42.2Very low33.9Very low89 Ų89135.2 Ų135.262%0.62273%0.733SS**  trans-69.7161.2157.652.10000114.4
37P36.4Very low33.9Very low122 Ų122132 Ų13279%0.79272%0.724SS**  -138-173.2114.440.5-30.7000114.1
38L31.4Very low33.9Very low149 Ų149137.2 Ų137.278%0.7873%0.726SS**  trans-83.1174.7174.2-74.181.9000112.7
39F32.2Very low34.1Very low173 Ų173137.2 Ų137.276%0.75973%0.725SS**  trans112.2114.1150.8-84.2-88.9000119.5
40N30Very low34.3Very low115 Ų115140.1 Ų140.162%0.61573%0.729SS**  trans40129.3141.7-60.414.4000122.2
41H35.3Very low34.4Very low189 Ų189135.1 Ų135.188%0.87572%0.722SS**  -103.1132116.5-93.6-104.5000106.9
42E30.7Very low34.4Very low125 Ų125139.7 Ų139.758%0.58473%0.731SS**  cis65.6104.346.6-77.1-63.4147.700114.3
43D35.7Very low34.5Very low165 Ų165140.3 Ų140.388%0.88274%0.735SS**  trans-152.5104.8152.1-123.7-28.2000112.3
44S37.1Very low34.6Very low107 Ų107140.1 Ų140.175%0.74874%0.738SS**  trans76.7106.2151.4-148.30000122.1
45F31.6Very low34.6Very low170 Ų170142 Ų14275%0.74675%0.749SS**  trans-93.9154.8159.2-88.3-92.1000111.6
46P40.5Very low34.5Very low119 Ų119143.6 Ų143.677%0.77376%0.763SS**  -140.7145.2101.421.7-1.3000113.3
47S32.9Very low34.1Very low102 Ų102145.5 Ų145.571%0.71377%0.765SS**  cis112149.233-77.60000111.5
48R33Very low33.8Very low230 Ų230143.8 Ų143.887%0.86876%0.755SS**  trans83.999.6-176.1-166.3177.2-66.1-174-0.1113.9
49I33.2Very low33.9Very low150 Ų150141.9 Ų141.977%0.76975%0.75SS**  cis63.7102.249.9-47.2171.3000113.6
50Q37.6Very low34Very low191 Ų191139.1 Ų139.189%0.89375%0.747SS**  -164.1166.2124.9-108.5175.224.300111.7
51T32.1Very low34.2Very low120 Ų120140.4 Ų140.474%0.73674%0.744SS**  trans-118.4150.2-168.4520000112.1
52K35.6Very low34.3Very low187 Ų187137.2 Ų137.281%0.81374%0.74SS**  trans162.8119.4130.3-90.3162.6-176.6179.90114.6
53S33.2Very low34.8Very low104 Ų104139 Ų13973%0.72775%0.752SS**  trans45.1154.9133.663.50000124.5
54S36Very low34.7Very low98 Ų98136.3 Ų136.369%0.68575%0.746SS**  trans74.197.9152.642.30000120.2
55N32.6Very low34.8Very low152 Ų152138.5 Ų138.581%0.81375%0.749SS**  41.3120.9125.8-50.5-4.2000120
56L35.6Very low35Very low159 Ų159134.8 Ų134.883%0.83274%0.744SS**  178110.1113.2-94.4162.1000114.3
57I34.3Very low34.8Very low128 Ų128134 Ų13466%0.65674%0.742SS**  trans35.5124.5132-66175.7000121.7
58C30Very low34.9Very low86 Ų86140.8 Ų140.858%0.58175%0.753SS**  trans71.3121.8148.9-78.80000125.1V448C58-V448 HydrophobicContact CB-CG2 3.87Å
59T32.1Very low35Very low110 Ų110136.7 Ų136.768%0.67574%0.744SS**  trans61128134.960.30000121.9
60T35.9Very low35Very low114 Ų114140.4 Ų140.470%0.69975%0.75SS**  -173.2156.9109.9-75.80000112.4P445T60-P445 HydrophobicContact CG2-CG 4.31Å
61Y33.5Very low34.7Very low142 Ų142136.1 Ų136.156%0.55774%0.737SS**  trans-54164-170.1-80-116.7000119P443 P445Y61-P443 HydrophobicContact CE1-CG 3.97Å; Y61-P443 WeakPolarHBondContact OH-CG 3.32Å; Y61-P445 HydrophobicContact CD2-CB 4.14Å; Y61-P445 HydrophobicContact CD2-CG 3.72Å; Y61-P445 HydrophobicContact CE2-CB 3.89Å; Y61-P445 HydrophobicContact CE2-CG 3.92Å
62P37.5Very low35Very low122 Ų122138.2 Ų138.279%0.79274%0.741SS**  trans-77.9161.7166.335.4-36.6000113.2
63I40.5Very low34.9Very low163 Ų163134.3 Ų134.384%0.83674%0.738SS**  trans-117.7148.8-179.4-65.4173.1000110.4
64S34.7Very low35.4Very low108 Ų108134.8 Ų134.876%0.75574%0.738SS**  trans-122.9153.9179.4580000113.3
65L38.2Very low35.2Very low153 Ų153134.8 Ų134.880%0.80174%0.739SS**  trans-127.3128157.7-73.788.7000105.3
66S35.9Very low35.4Very low93 Ų93135.5 Ų135.565%0.6574%0.741SS**  67.412850.584.50000112.5
67S36.9Very low35.4Very low103 Ų103132.9 Ų132.972%0.7274%0.735SS**  cis-165.1155.3-6.7-88.30000108.4
68Y35.5Very low35.3Very low244 Ų244131 Ų13196%0.95773%0.734SS**  trans-159.5138.8139.9-100.2-65.2000110.5
69H34.5Very low35.6Very low144 Ų144133.5 Ų133.567%0.66774%0.741SS**  trans-113.8149.1-174.7-122-105.8000110
70Y33.6Very low35.7Very low228 Ų228136.2 Ų136.289%0.89475%0.746SS**  trans-150.7136.7141.7-112-75.4000110.3
71T30.7Very low35.7Very low101 Ų101137.3 Ų137.362%0.6274%0.743SS**  trans-151.2135.6-171430000109.7
72I38.4Very low35.7Very low163 Ų163138.2 Ų138.284%0.83675%0.752SS**  trans-136.4134.4170.5-60.5-177.8000109.2
73S34.3Very low35.7Very low105 Ų105140.3 Ų140.373%0.73475%0.751SS**  trans-130.7159.5175.8-520000109.7
74P42.8Very low35.4Very low114 Ų114139.7 Ų139.774%0.7475%0.745SS**  -140.7156.8107.232.2-16.4000112.7
75S32.6Very low35.5Very low99 Ų99141.3 Ų141.369%0.69274%0.74SS**  cis92.2151.120.485.70000116.4
76I36.8Very low35.2Very low167 Ų167140.6 Ų140.686%0.85673%0.733SS**  trans80.4136.2179.3-55168.3000114.1
77S34.8Very low35.2Very low103 Ų103143 Ų14372%0.7273%0.734SS**  cis-159.7163.1-14.1173.90000113
78S31.8Very low35.1Very low89 Ų89146 Ų14662%0.62274%0.736SS**  trans-63.1-173.2-17859.80000119.6
79N35.8Very low34.9Very low139 Ų139142.2 Ų142.274%0.74373%0.727SS**  trans92.7148.2163.5-61.6-31000117.6
80H35.5Very low35Very low167 Ų167144.4 Ų144.477%0.77374%0.738SS**  cis-168.4167.3-31.3-146.31.3000109.6
81H35Very low34.9Very low136 Ų136140.7 Ų140.763%0.6373%0.728SS**  trans60.6136.5174.6-99.157.8000117.4
82Q34Very low35.2Very low161 Ų161144.5 Ų144.575%0.75274%0.739SS**  cis80.1145.844.8-101.1-167.917.400116.3
83Q36.9Very low34.8Very low167 Ų167144.5 Ų144.578%0.7874%0.735SS**  trans76.8155.6179-56.4-17426.500117.4
84H34.2Very low34.8Very low149 Ų149146.3 Ų146.369%0.6973%0.734SS**  cis-167.8144.1-44.3-153.429.7000108.9
85Q36.7Very low34.2Very low143 Ų143147.1 Ų147.167%0.66873%0.733SS**  trans61.4176.8162.7-69.9-1804000115.8
86Q33.6Very low34.1Very low137 Ų137148.4 Ų148.464%0.6474%0.737SS**  cis-168.6168.4-44.9-172.6-168.783.500106.9
87Q35.4Very low34.1Very low144 Ų144150.5 Ų150.567%0.67374%0.74SS**  trans73.9157.3165.4-46.1-177.719.900116.1
88Q34.6Very low33.8Very low166 Ų166154.2 Ų154.278%0.77675%0.746SS**  cis-153.4-179.1-24.1-113.9177.348.300109.9
89H30.4Very low33.7Very low164 Ų164157.1 Ų157.176%0.75975%0.754SS**  trans-68.9154.4-179-51-22.8000114.2
90Q37.6Very low33.4Very low190 Ų190156.1 Ų156.189%0.88875%0.753SS**  trans-138.5135.8132.9-70.9-159.57.700110.8
91H30.8Very low33.3Very low151 Ų151158.9 Ų158.970%0.69976%0.758SS**  trans-81.1156.4167.3-78.2-114.6000110.4
92H37.4Very low33.3Very low181 Ų181157 Ų15784%0.83876%0.76SS**  trans-146.2127.6141.5-108.955.2000110.7
93H29.7Very low33.3Very low163 Ų163158.3 Ų158.376%0.75577%0.766SS**  trans-77.4166.8160.4-91.1-103.9000109.6
94I33.9Very low33.6Very low142 Ų142155.4 Ų155.473%0.72876%0.762SS**  172.2129.2117.2-88.6159.3000113
95N31.9Very low33.6Very low132 Ų132157.9 Ų157.971%0.70677%0.766SS**  trans40.9112.8151.9-56.6-2.3000123.4
96T28.6Very low33.6Very low126 Ų126158.3 Ų158.377%0.77377%0.768SS**  9.8135.6116.440.20000120.1
97K37Very low33.7Very low211 Ų211158.6 Ų158.692%0.91777%0.77SS**  trans-137.2140.7143.2-74.7-165.7176-177.20111.2
98Q28.5Very low33.8Very low181 Ų181158.9 Ų158.985%0.84678%0.776SS**  trans-103.7152.8168.8-62.9164.6-69.100109.5
99N31.3Very low33.8Very low149 Ų149157.4 Ų157.480%0.79777%0.769SS**  trans169122.5138.6-85.8-13.6000108
100V29.7Very low34.2Very low118 Ų118158.3 Ų158.372%0.71577%0.773SS**  80.1105.961171.80000112.2
101Y32.8Very low34Very low226 Ų226158 Ų15889%0.88677%0.769SS**  trans-177.4152.4150.4-113-78.9000108
102S34.3Very low34.1Very low96 Ų96158.6 Ų158.667%0.67177%0.774SS**  -148156.5-66.9-82.70000107.9
103Q34.4Very low34.1Very low188 Ų188155.8 Ų155.888%0.87977%0.77SS**  trans-84.7169.9176.2-75.8-113.6-54.100112.7
104P42.4Very low34.1Very low107 Ų107154.2 Ų154.270%0.69577%0.772SS**  trans-141.3136.3131.636.8-23.1000117.2
105Y34.8Very low34.7Very low200 Ų200152.5 Ų152.578%0.78477%0.77SS**  trans63.3143.7132.4-75.1-111.2000120.4
106E37.4Very low34.8Very low152 Ų152151.6 Ų151.671%0.7177%0.774SS**  cis-152.2-156.8-11-148.3169.2-159.700111.4
107Q34.6Very low35.2Very low144 Ų144150.1 Ų150.167%0.67377%0.769SS**  trans-107.2163.3-161.7-55.4161.7-86.500113.4
108D37.2Very low35.3Very low149 Ų149145.2 Ų145.280%0.79776%0.761SS**  -162.9179.2109.2-136.9-35.5000113
109H35.6Very low35.7Very low136 Ų136141.2 Ų141.263%0.6375%0.753SS**  trans-124178-156.9-74.9-78.7000116.6
110Q38.1Very low36Very low183 Ų183139.1 Ų139.186%0.85575%0.75SS**  trans92.4162.5155.7-48.7179.554.300118.2
111K34.4Very low36.3Very low183 Ų183138.2 Ų138.280%0.79675%0.749SS**  -170.9163.1-61.7-138.6-178.9-178.9-179.30108.4
112M33.3Very low36.5Very low163 Ų163132.6 Ų132.680%0.80374%0.743SS**  trans69.6153.9164.5-63.1162.562.500115.9
113T37.3Very low36.6Very low122 Ų122132.8 Ų132.875%0.74874%0.744SS**  cis-159.7164.4-13.618.90000110.7
114T29.8Very low36.7Very low131 Ų131129.1 Ų129.180%0.80474%0.739SS**  trans-116.3-169.4167.463.20000109.3
115P44.9Very low36.2Very low105 Ų105128.4 Ų128.468%0.68274%0.737SS**  cis-140-164.3-7.442.3-22.8000115.4
116S34.6Very low36.2Very low114 Ų114126 Ų12680%0.79774%0.737SS**  trans79.6161.115485.50000118.8
117S37.6Very low36.1Very low94 Ų94125 Ų12566%0.65774%0.735SS**  cis-158.81619.555.50000114.1
118S38.4Very low36.1Very low108 Ų108125 Ų12576%0.75574%0.739SS**  trans57.5152.1150.545.80000122.3
119S36.9Very low35.9Very low98 Ų98123.6 Ų123.669%0.68573%0.732SS**  cis-173.2158.9-11490000112.7
120S37.9Very low35.8Very low104 Ų104122.7 Ų122.773%0.72773%0.732SS**  trans59.4148.5147.254.60000121.6
121S36.7Very low35.5Very low99 Ų99120.1 Ų120.169%0.69272%0.724SS**  cis-177.8149.9-11.351.10000112.6
122S36.9Very low35.3Very low109 Ų109121.1 Ų121.176%0.76272%0.724SS**  trans66.5155.8146.7-61.70000120.7
123S36.4Very low35.3Very low99 Ų99123.2 Ų123.269%0.69273%0.729SS**  cis-171.5161.7-20.8-92.90000111.1
124S34.9Very low35Very low112 Ų112125.2 Ų125.278%0.78373%0.729SS**  trans71.7154.4153.8-63.90000120.6
125S33Very low35Very low92 Ų92124.4 Ų124.464%0.64372%0.724SS**  cis-174.4168.7-32.551.30000111
126L34.1Very low34.3Very low150 Ų150126.6 Ų126.679%0.78573%0.727SS**  trans74.1152.8165.4-42.1-176.8000117.8
127L35.5Very low34Very low129 Ų129127.2 Ų127.268%0.67572%0.722SS**  cis-166.9149.8-24.9-106.4175.2000108.7
128L34.2Very low33.6Very low144 Ų144127.5 Ų127.575%0.75472%0.724SS**  trans61.3153.3153.3-63.6161.4000119.2
129N32.7Very low33.3Very low121 Ų121129.6 Ų129.665%0.64773%0.725SS**  cis-162.2167.1-35-154.53000110.3
130N33.5Very low33.1Very low116 Ų116133 Ų13362%0.6273%0.73SS**  trans69.6121.6153.7-67.6-22.6000121.8
131N33.5Very low32.7Very low129 Ų129132.1 Ų132.169%0.6973%0.725SS**  trans87.681.5132.7-61.9-10.3000121.7
132Y29.2Very low32.5Very low204 Ų204134.3 Ų134.380%0.873%0.728SS**  43.7105.9117-75.7-76.4000119.7
133K32.6Very low32.3Very low208 Ų208136.2 Ų136.290%0.90473%0.725SS**  -146.7124.5124-144.1171.8-174178.80109.9
134H32.1Very low32.1Very low163 Ų163141.9 Ų141.976%0.75573%0.733SS**  trans-77.2136.1-179-101.3-83.3000111.7
135T30.3Very low32.1Very low115 Ų115141.6 Ų141.671%0.70672%0.723SS**  trans-142.7156.2160.249.40000107.8
136M30.1Very low32.3Very low151 Ų151144.6 Ų144.674%0.74473%0.728SS**  trans64.7162.3175.5-44.8-71.677.100114.6
137D27.9Very low32.5Very low126 Ų126142.3 Ų142.367%0.67472%0.723SS**  -162.6172.2-52.4-133.2-61.4000108.1
138S28.4Very low32.3Very low100 Ų100144 Ų14470%0.69972%0.721SS**  trans47106.3152.9-65.40000120.7
139L31.4Very low32.6Very low152 Ų152142.3 Ų142.380%0.79672%0.717SS**  trans-135.2122.9144.8-69.4177.8000110.6
140Q33.1Very low33.1Very low169 Ų169141.7 Ų141.779%0.7972%0.718SS**  trans27.7148.6135.8-66158.3-48.500121
141S30.6Very low33.8Very low87 Ų87139.6 Ų139.661%0.60871%0.706SS**  cis-176.9176.2-11.754.20000109.7
142N31.6Very low34.6Very low144 Ų144140.1 Ų140.177%0.7771%0.705SS**  trans76.295.5156.8-57.4-19.3000120.5
143H32.2Very low35.6Very low149 Ų149137 Ų13769%0.6970%0.697SS**  71.1114.9111.7-153.265.8000120.1
144Y33.8Very low36.2Very low219 Ų219130 Ų13086%0.85967%0.674SS**  trans-175.1103.4133.9-107.1-69.1000109.5
145D35.1Very low37.6Very low106 Ų106125.7 Ų125.757%0.56766%0.657SS**  trans-84147-178.3-71.2-73.1000113.7
146M36.6Very low39.4Very low155 Ų155126.5 Ų126.576%0.76465%0.651SS**  trans-140.6154.1170.5-88.5-78.199.200110.3Y148M146-Y148 VanDerWaalsContact O-CD2 3.31Å; M146-Y148 WeakPolarHBondContact O-CD2 3.35Å; M146-Y148 PolarHBondContact O-N 3Å
147P38Very low41Very low102 Ų102124.2 Ų124.266%0.66264%0.641SS**  trans-68.4123.1-158-23.135.1000114.8T149P147-T149 PolarHBondContact O-N 3.33Å
148Y31.7Very low42.6Very low164 Ų164124.1 Ų124.164%0.64363%0.631SS**  trans-78.484.1-177.4-75.6-106.3000112.5M146 N151M146-Y148 VanDerWaalsContact O-CD2 3.31Å; M146-Y148 WeakPolarHBondContact O-CD2 3.35Å; M146-Y148 PolarHBondContact O-N 3Å; Y148-N151 HydrophobicContact CD1-CB 3.89Å
149T40.7Very low44.4Very low109 Ų109124.2 Ų124.267%0.66962%0.62SS**SBendtrans-111-41.6167.657.30000112.6P147 N151P147-T149 PolarHBondContact O-N 3.33Å; T149-N151 VanDerWaalsContact C-N 3.26Å; T149-N151 PolarHBondContact O-N 3.22Å
150T43.5Very low46.1Very low108 Ų108122.4 Ų122.466%0.66361%0.608SS**Hα-helixtrans-63.8-29178.7-9.70000113.4Q152 Q153 S154T150-Q152 PolarHBondContact O-N 3.27Å; T150-Q153 PolarHBondContact O-N 3.22Å; T150-S154 PolarHBondContact O-N 3.13Å
151N46.4Very low47.5Very low72 Ų72115.5 Ų115.539%0.38558%0.578SS.*Hα-helixtrans-67.1-36-174-169.1-86.9000113Y148 T149 Q153 S154 N155Y148-N151 HydrophobicContact CD1-CB 3.89Å; T149-N151 VanDerWaalsContact C-N 3.26Å; T149-N151 PolarHBondContact O-N 3.22Å; N151-Q153 VanDerWaalsContact C-N 3.25Å; N151-Q153 PolarHBondContact O-N 3.26Å; N151-S154 WeakPolarHBondContact CA-OG 3.47Å; N151-S154 PolarHBondContact O-N 3.36Å; N151-S154 PolarHBondContact O-OG 2.9Å; N151-N155 WeakPolarHBondContact O-CB 3.36Å; N151-N155 PolarHBondContact O-N 3.07Å; N151-N155 PolarHBondContact O-ND2 3.15Å; N151-N155 PolarHBondContact O-OD1 3.31Å; N151-N155 PolarHBondContact OD1-ND2 3.26Å
152Q50.8Low49Very low139 Ų139113 Ų11365%0.6556%0.558SS**Hα-helixtrans-62.4-35.6175.1-69-170-3.100112T150 K156T150-Q152 PolarHBondContact O-N 3.27Å; Q152-K156 WeakPolarHBondContact O-CG 3.37Å; Q152-K156 PolarHBondContact O-N 3.18Å
153Q51.5Low50.6Low139 Ų139111.6 Ų111.665%0.6555%0.547SS*.Hα-helixtrans-78.2-35.7-176.8-152.5164.1800111.6T150 N151 I157T150-Q153 PolarHBondContact O-N 3.22Å; N151-Q153 VanDerWaalsContact C-N 3.25Å; N151-Q153 PolarHBondContact O-N 3.26Å; Q153-I157 WeakPolarHBondContact O-CG1 3.4Å; Q153-I157 PolarHBondContact O-N 2.83Å
154S44.8Very low52.1Low60 Ų60108.5 Ų108.542%0.4254%0.535SS..Hα-helixtrans-65.6-40168.754.30000112.5T150 N151 K156 I157 W158T150-S154 PolarHBondContact O-N 3.13Å; N151-S154 WeakPolarHBondContact CA-OG 3.47Å; N151-S154 PolarHBondContact O-N 3.36Å; N151-S154 PolarHBondContact O-OG 2.9Å; S154-K156 PolarHBondContact O-N 3.31Å; S154-I157 PolarHBondContact O-N 3.43Å; S154-W158 WeakPolarHBondContact O-CB 3.37Å; S154-W158 PolarHBondContact O-N 2.95Å
155N61Low53.1Low73 Ų7399.6 Ų99.639%0.3950%0.501SS..Hα-helixtrans-68.5-36-179.8-63.5-4.2000111.8N151 W158 Q159N151-N155 WeakPolarHBondContact O-CB 3.36Å; N151-N155 PolarHBondContact O-N 3.07Å; N151-N155 PolarHBondContact O-ND2 3.15Å; N151-N155 PolarHBondContact O-OD1 3.31Å; N151-N155 PolarHBondContact OD1-ND2 3.26Å; N155-W158 PolarHBondContact O-N 2.8Å; N155-Q159 WeakPolarHBondContact O-CB 3.38Å; N155-Q159 WeakPolarHBondContact O-CG 3.14Å; N155-Q159 PolarHBondContact O-N 3.32Å
156K68.5Low54.2Low132 Ų13299.1 Ų99.157%0.57450%0.499SS*.Hα-helixtrans-63.9-42.6172.1-77.2-175.5176.6-169.80112.7Q152 S154 W158 Q159 Q160Q152-K156 WeakPolarHBondContact O-CG 3.37Å; Q152-K156 PolarHBondContact O-N 3.18Å; S154-K156 PolarHBondContact O-N 3.31Å; K156-W158 VanDerWaalsContact C-N 3.32Å; K156-Q159 PolarHBondContact O-N 3.06Å; K156-Q160 WeakPolarHBondContact O-CB 2.81Å; K156-Q160 WeakPolarHBondContact O-CG 3.27Å; K156-Q160 PolarHBondContact O-N 3.41Å
157I62.8Low55.2Low104 Ų10497 Ų9753%0.53349%0.491SS..Hα-helixtrans-63.2-41.5174.5-67.9165.7000110.4Q153 S154 S161Q153-I157 WeakPolarHBondContact O-CG1 3.4Å; Q153-I157 PolarHBondContact O-N 2.83Å; S154-I157 PolarHBondContact O-N 3.43Å; I157-S161 VanDerWaalsContact O-CB 3.29Å; I157-S161 WeakPolarHBondContact O-CB 3.43Å; I157-S161 PolarHBondContact O-N 3.45Å; I157-S161 PolarHBondContact O-OG 2.94Å
158W62.3Low56.1Low123 Ų12395.6 Ų95.647%0.46648%0.481SS..Hα-helixtrans-61.9-47.2175.7-178.786.6000111.8S154 N155 K156 S161 N162S154-W158 WeakPolarHBondContact O-CB 3.37Å; S154-W158 PolarHBondContact O-N 2.95Å; N155-W158 PolarHBondContact O-N 2.8Å; K156-W158 VanDerWaalsContact C-N 3.32Å; W158-S161 WeakPolarHBondContact CA-OG 3.33Å; W158-S161 PolarHBondContact O-N 3.42Å; W158-S161 PolarHBondContact O-OG 3.42Å; W158-N162 PolarHBondContact O-N 3.38Å; W158-N162 VanDerWaalsContact O-N 3.08Å; W158-N162 PolarHBondContact O-ND2 3.14Å
159Q66.1Low56.7Low102 Ų10292.3 Ų92.348%0.47747%0.47SS..Hα-helixtrans-57.3-55.9174.9-74.7173.4-48.300111.5N155 K156 S161 N162 E163N155-Q159 WeakPolarHBondContact O-CB 3.38Å; N155-Q159 WeakPolarHBondContact O-CG 3.14Å; N155-Q159 PolarHBondContact O-N 3.32Å; K156-Q159 PolarHBondContact O-N 3.06Å; Q159-S161 VanDerWaalsContact C-N 3.26Å; Q159-S161 PolarHBondContact O-N 3.4Å; Q159-N162 PolarHBondContact O-N 2.89Å; Q159-E163 WeakPolarHBondContact O-CG 3.46Å; Q159-E163 PolarHBondContact O-N 3.01Å
160Q66.8Low57Low115 Ų11593.3 Ų93.354%0.53747%0.471SS..Hα-helixtrans-57.6-37.4178.8-71.6177.6-30.600112.7K156 I164K156-Q160 WeakPolarHBondContact O-CB 2.81Å; K156-Q160 WeakPolarHBondContact O-CG 3.27Å; K156-Q160 PolarHBondContact O-N 3.41Å; Q160-I164 WeakPolarHBondContact O-CB 3.48Å; Q160-I164 WeakPolarHBondContact O-CD1 3.4Å; Q160-I164 VanDerWaalsContact O-CG1 3.25Å; Q160-I164 WeakPolarHBondContact O-CG1 3.48Å; Q160-I164 PolarHBondContact O-N 3.12Å
161S62Low57.3Low24 Ų2493.4 Ų93.417%0.16847%0.472CS..Hα-helixtrans-67.8-35.617769.80000113I157 W158 Q159 L165I157-S161 VanDerWaalsContact O-CB 3.29Å; I157-S161 WeakPolarHBondContact O-CB 3.43Å; I157-S161 PolarHBondContact O-N 3.45Å; I157-S161 PolarHBondContact O-OG 2.94Å; W158-S161 WeakPolarHBondContact CA-OG 3.33Å; W158-S161 PolarHBondContact O-N 3.42Å; W158-S161 PolarHBondContact O-OG 3.42Å; Q159-S161 VanDerWaalsContact C-N 3.26Å; Q159-S161 PolarHBondContact O-N 3.4Å; S161-L165 WeakPolarHBondContact O-CB 3.33Å; S161-L165 WeakPolarHBondContact O-CD1 3.48Å; S161-L165 WeakPolarHBondContact O-CG 3.45Å; S161-L165 PolarHBondContact O-N 3.35Å; S161-L165 VanDerWaalsContact O-N 3.08Å
162N63.5Low57.1Low35 Ų3594.3 Ų94.319%0.18748%0.48CS..Hα-helixtrans-74.6-37.5176.2-72.6-68.5000111.9W158 Q159 L165 N166W158-N162 PolarHBondContact O-N 3.38Å; W158-N162 VanDerWaalsContact O-N 3.08Å; W158-N162 PolarHBondContact O-ND2 3.14Å; Q159-N162 PolarHBondContact O-N 2.89Å; N162-L165 PolarHBondContact O-N 3.39Å; N162-N166 WeakPolarHBondContact O-CB 3.47Å; N162-N166 PolarHBondContact O-N 2.89Å; N162-N166 PolarHBondContact O-ND2 3.38Å; N162-N166 VanDerWaalsContact O-ND2 3.16Å
163E64.5Low56.4Low113 Ų11393.9 Ų93.953%0.52849%0.487SS..Hα-helixtrans-57.7-55.1172.9-70.6164.4171.700110.3Q159 L165 N166 D167Q159-E163 WeakPolarHBondContact O-CG 3.46Å; Q159-E163 PolarHBondContact O-N 3.01Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 2.84Å; E163-N166 PolarHBondContact O-N 2.99Å; E163-N166 VanDerWaalsContact O-N 3.17Å; E163-D167 PolarHBondContact O-N 3.42Å
164I62.8Low56Low85 Ų8592.3 Ų92.344%0.43649%0.487SS..Hα-helixtrans-58.9-39.6178.4-67.3165.8000112.1Q160 T168Q160-I164 WeakPolarHBondContact O-CB 3.48Å; Q160-I164 WeakPolarHBondContact O-CD1 3.4Å; Q160-I164 VanDerWaalsContact O-CG1 3.25Å; Q160-I164 WeakPolarHBondContact O-CG1 3.48Å; Q160-I164 PolarHBondContact O-N 3.12Å; I164-T168 WeakPolarHBondContact O-CB 3.48Å; I164-T168 PolarHBondContact O-N 3.09Å; I164-T168 VanDerWaalsContact O-N 3.07Å; I164-T168 PolarHBondContact O-OG1 3.46Å
165L56.8Low55.7Low31 Ų3197.1 Ų97.116%0.16251%0.508CS..Hα-helixtrans-66.1-44177.2-79.1167.7000112.1S161 N162 E163 T168 F169 L183 L186 L190S161-L165 WeakPolarHBondContact O-CB 3.33Å; S161-L165 WeakPolarHBondContact O-CD1 3.48Å; S161-L165 WeakPolarHBondContact O-CG 3.45Å; S161-L165 PolarHBondContact O-N 3.35Å; S161-L165 VanDerWaalsContact O-N 3.08Å; N162-L165 PolarHBondContact O-N 3.39Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 2.84Å; L165-T168 PolarHBondContact O-N 3.24Å; L165-F169 HydrophobicContact CD2-CE2 4.46Å; L165-F169 WeakPolarHBondContact O-CD2 3.47Å; L165-F169 PolarHBondContact O-N 2.8Å; L165-F169 VanDerWaalsContact O-N 3.08Å; L165-L183 HydrophobicContact CD2-CD1 4.19Å; L165-L186 HydrophobicContact CD1-CD2 4.14Å; L165-L186 HydrophobicContact CD2-CD2 4.01Å; L165-L190 HydrophobicContact CD1-CD1 4.1Å
166N57.5Low54.9Low96 Ų9697.6 Ų97.651%0.51351%0.514SS..Hα-helixtrans-64.1-45179-69.9-25.5000111.3N162 E163 T168 F169 N170N162-N166 WeakPolarHBondContact O-CB 3.47Å; N162-N166 PolarHBondContact O-N 2.89Å; N162-N166 PolarHBondContact O-ND2 3.38Å; N162-N166 VanDerWaalsContact O-ND2 3.16Å; E163-N166 PolarHBondContact O-N 2.99Å; E163-N166 VanDerWaalsContact O-N 3.17Å; N166-T168 PolarHBondContact O-N 3.37Å; N166-F169 PolarHBondContact O-N 3.31Å; N166-N170 WeakPolarHBondContact O-CB 3.28Å; N166-N170 VanDerWaalsContact O-CG 3.27Å; N166-N170 PolarHBondContact O-N 3Å; N166-N170 PolarHBondContact O-ND2 3.44Å; N166-N170 VanDerWaalsContact O-ND2 3.11Å
167D57.4Low54.1Low110 Ų11096.7 Ų96.759%0.58852%0.519SS*.Hα-helixtrans-64.2-39.6178.5-68.7-20.6000112E163 T171E163-D167 PolarHBondContact O-N 3.42Å; D167-T171 PolarHBondContact O-OG1 2.94Å
168T55.8Low53.6Low74 Ų7496.8 Ų96.845%0.45452%0.521SS..Hα-helixtrans-70.3-33.2179.8-54.70000113I164 L165 N166 T171 T172I164-T168 WeakPolarHBondContact O-CB 3.48Å; I164-T168 PolarHBondContact O-N 3.09Å; I164-T168 VanDerWaalsContact O-N 3.07Å; I164-T168 PolarHBondContact O-OG1 3.46Å; L165-T168 PolarHBondContact O-N 3.24Å; N166-T168 PolarHBondContact O-N 3.37Å; T168-T171 PolarHBondContact O-OG1 3.48Å; T168-T171 VanDerWaalsContact O-OG1 3.08Å; T168-T172 PolarHBondContact O-OG1 2.83Å
169F45Very low52.9Low95 Ų9594.1 Ų94.142%0.41752%0.516SS..Hα-helixtrans-85.2-26.7180-89-90000113.7L165 N166 T171 L183L165-F169 HydrophobicContact CD2-CE2 4.46Å; L165-F169 WeakPolarHBondContact O-CD2 3.47Å; L165-F169 PolarHBondContact O-N 2.8Å; L165-F169 VanDerWaalsContact O-N 3.08Å; N166-F169 PolarHBondContact O-N 3.31Å; F169-T171 PolarHBondContact O-N 2.81Å; F169-L183 HydrophobicContact CE2-CD1 4.31Å
170N48.2Very low52.6Low129 Ų12993.9 Ų93.969%0.6952%0.518SS*.THydrogen-bonded Turntrans-66.5-13.3172.8-76.2-32.1000113.7N166N166-N170 WeakPolarHBondContact O-CB 3.28Å; N166-N170 VanDerWaalsContact O-CG 3.27Å; N166-N170 PolarHBondContact O-N 3Å; N166-N170 PolarHBondContact O-ND2 3.44Å; N166-N170 VanDerWaalsContact O-ND2 3.11Å
171T49.1Very low52.5Low111 Ų11193.5 Ų93.568%0.68152%0.52SS*.THydrogen-bonded Turntrans-107.3-2.7-177.851.80000115.3D167 T168 F169D167-T171 PolarHBondContact O-OG1 2.94Å; T168-T171 PolarHBondContact O-OG1 3.48Å; T168-T171 VanDerWaalsContact O-OG1 3.08Å; F169-T171 PolarHBondContact O-N 2.81Å
172T42Very low52.4Low90 Ų9096.6 Ų96.655%0.55253%0.531SS*.  trans-129.459.8-166-40.70000113.7T168 T174T168-T172 PolarHBondContact O-OG1 2.83Å; T172-T174 PolarHBondContact O-N 2.67Å
173T36.1Very low52.5Low131 Ų13196.7 Ų96.780%0.80453%0.532SS*.  trans-81.259.1-169.7-39.20000115
174T43.9Very low52.7Low106 Ų10695.6 Ų95.665%0.6553%0.529SS*.  trans-142.7107.4170.654.60000115T172T172-T174 PolarHBondContact O-N 2.67Å
175N37.7Very low52.9Low160 Ų16097.4 Ų97.486%0.85653%0.531SS*.  trans37.293.1140.4-56.9-16.7000119.4
176T43.5Very low53.3Low84 Ų8497.8 Ų97.852%0.51553%0.533SS..  trans-163.8132.6142.2-20000110.4D178 N179T176-D178 VanDerWaalsContact C-N 3.31Å; T176-D178 PolarHBondContact O-N 2.78Å; T176-N179 PolarHBondContact O-N 2.79Å; T176-N179 PolarHBondContact OG1-ND2 2.96Å
177T51.9Low53.7Low112 Ų11297.5 Ų97.569%0.68753%0.528SS*.THydrogen-bonded Turntrans-63.4-36-179.537.80000112.8N179 N180T177-N179 PolarHBondContact O-N 2.87Å; T177-N180 WeakPolarHBondContact O-CB 3.37Å; T177-N180 PolarHBondContact O-N 3.17Å; T177-N180 VanDerWaalsContact O-N 3.08Å
178D52.4Low54.2Low106 Ų10694.9 Ų94.957%0.56752%0.522SS*.Hα-helixtrans-64.4-23.9-174.6-53.6-6.2000112.8T176 N180 D181 Q182T176-D178 VanDerWaalsContact C-N 3.31Å; T176-D178 PolarHBondContact O-N 2.78Å; D178-N180 VanDerWaalsContact C-N 3.33Å; D178-N180 PolarHBondContact O-N 3.29Å; D178-D181 PolarHBondContact O-N 3.13Å; D178-Q182 PolarHBondContact O-N 3.4Å; D178-Q182 VanDerWaalsContact O-N 3.1Å
179N47.8Very low54.9Low68 Ų6897.3 Ų97.336%0.36452%0.523SS..Hα-helixtrans-67.7-33.1176.6-67.7-28.7000112T176 T177 Q182 L183T176-N179 PolarHBondContact O-N 2.79Å; T176-N179 PolarHBondContact OG1-ND2 2.96Å; T177-N179 PolarHBondContact O-N 2.87Å; N179-Q182 PolarHBondContact O-N 2.74Å; N179-L183 WeakPolarHBondContact O-CB 3.23Å; N179-L183 PolarHBondContact O-N 3.19Å
180N59Low56Low97 Ų9794 Ų9452%0.51951%0.509SS..Hα-helixtrans-68.5-40.4176.6-73.3-20.9000111.2T177 D178 L183 N184T177-N180 WeakPolarHBondContact O-CB 3.37Å; T177-N180 PolarHBondContact O-N 3.17Å; T177-N180 VanDerWaalsContact O-N 3.08Å; D178-N180 VanDerWaalsContact C-N 3.33Å; D178-N180 PolarHBondContact O-N 3.29Å; N180-L183 PolarHBondContact O-N 3.33Å; N180-N184 VanDerWaalsContact O-CB 3.32Å; N180-N184 WeakPolarHBondContact O-CB 3.4Å; N180-N184 PolarHBondContact O-N 3.24Å; N180-N184 PolarHBondContact O-ND2 3.24Å; N180-N184 VanDerWaalsContact O-ND2 3.13Å
181D65.9Low57Low107 Ų10794.4 Ų94.457%0.57251%0.505SS*.Hα-helixtrans-68.7-34.9176.5-89.95.5000112.4D178 R185D178-D181 PolarHBondContact O-N 3.13Å; D181-R185 WeakPolarHBondContact O-CB 3.43Å; D181-R185 WeakPolarHBondContact O-CD 3.38Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 2.88Å
182Q60.5Low57.8Low89 Ų8995.6 Ų95.642%0.41650%0.498SS..Hα-helixtrans-67.2-42.2170.8-68.1-163.646.400112.1D178 N179 R185 L186D178-Q182 PolarHBondContact O-N 3.4Å; D178-Q182 VanDerWaalsContact O-N 3.1Å; N179-Q182 PolarHBondContact O-N 2.74Å; Q182-R185 PolarHBondContact O-N 3.47Å; Q182-L186 VanDerWaalsContact O-CB 3.32Å; Q182-L186 WeakPolarHBondContact O-CB 3.43Å; Q182-L186 PolarHBondContact O-N 2.95Å
183L64.3Low58.4Low37 Ų3795 Ų9519%0.19450%0.496CS..Hα-helixtrans-62.5-46.6176-175.964000111.8L165 F169 N179 N180 R185 L186 Q187L165-L183 HydrophobicContact CD2-CD1 4.19Å; F169-L183 HydrophobicContact CE2-CD1 4.31Å; N179-L183 WeakPolarHBondContact O-CB 3.23Å; N179-L183 PolarHBondContact O-N 3.19Å; N180-L183 PolarHBondContact O-N 3.33Å; L183-R185 PolarHBondContact O-N 3.13Å; L183-L186 PolarHBondContact O-N 3.32Å; L183-Q187 WeakPolarHBondContact O-CB 3.31Å; L183-Q187 WeakPolarHBondContact O-CG 3.47Å; L183-Q187 PolarHBondContact O-N 3.25Å
184N68.9Low58.8Low89 Ų8996.8 Ų96.848%0.47650%0.5SS..Hα-helixtrans-58.8-45.3176.3-74.3-31000111.7N180 Q187 A188N180-N184 VanDerWaalsContact O-CB 3.32Å; N180-N184 WeakPolarHBondContact O-CB 3.4Å; N180-N184 PolarHBondContact O-N 3.24Å; N180-N184 PolarHBondContact O-ND2 3.24Å; N180-N184 VanDerWaalsContact O-ND2 3.13Å; N184-Q187 PolarHBondContact O-N 3.07Å; N184-A188 WeakPolarHBondContact O-CB 3.42Å; N184-A188 PolarHBondContact O-N 2.95Å
185R66.2Low58.7Low123 Ų12398.9 Ų98.946%0.46450%0.501SS..Hα-helixtrans-67.2-35.8177.3-71170.870.8-103.1-1.6112.2D181 Q182 L183 W189D181-R185 WeakPolarHBondContact O-CB 3.43Å; D181-R185 WeakPolarHBondContact O-CD 3.38Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 2.88Å; Q182-R185 PolarHBondContact O-N 3.47Å; L183-R185 PolarHBondContact O-N 3.13Å; R185-W189 WeakPolarHBondContact O-CB 3.37Å; R185-W189 PolarHBondContact O-N 3.28Å
186L66.8Low58.9Low39 Ų39100.2 Ų100.220%0.20450%0.503CS..Hα-helixtrans-69.2-43.4175.8-160.674000111.4L165 Q182 L183 W189 L190 L206L165-L186 HydrophobicContact CD1-CD2 4.14Å; L165-L186 HydrophobicContact CD2-CD2 4.01Å; Q182-L186 VanDerWaalsContact O-CB 3.32Å; Q182-L186 WeakPolarHBondContact O-CB 3.43Å; Q182-L186 PolarHBondContact O-N 2.95Å; L183-L186 PolarHBondContact O-N 3.32Å; L186-W189 PolarHBondContact O-N 3.46Å; L186-L190 HydrophobicContact CG-CD1 4.34Å; L186-L190 WeakPolarHBondContact O-CB 3.34Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.38Å; L186-L190 PolarHBondContact O-N 3.28Å; L186-L206 HydrophobicContact CD1-CD2 3.8Å
187Q66.2Low58.4Low90 Ų90106.1 Ų106.142%0.42152%0.517SS..Hα-helixtrans-62.6-41.5174-74.7-177.6-5.800112L183 N184 L190 K191L183-Q187 WeakPolarHBondContact O-CB 3.31Å; L183-Q187 WeakPolarHBondContact O-CG 3.47Å; L183-Q187 PolarHBondContact O-N 3.25Å; N184-Q187 PolarHBondContact O-N 3.07Å; Q187-L190 PolarHBondContact O-N 3.04Å; Q187-K191 VanDerWaalsContact O-CB 3.25Å; Q187-K191 WeakPolarHBondContact O-CB 3.49Å; Q187-K191 PolarHBondContact O-N 3.48Å
188A66.8Low57.8Low56 Ų56107 Ų10746%0.46352%0.517SS..Hα-helixtrans-60.8-44.9174.100000111.8N184 K191 Y192N184-A188 WeakPolarHBondContact O-CB 3.42Å; N184-A188 PolarHBondContact O-N 2.95Å; A188-K191 PolarHBondContact O-N 2.88Å; A188-Y192 PolarHBondContact O-N 2.83Å
189W70.3Confident57.3Low124 Ų124108.9 Ų108.947%0.4752%0.523SS..Hα-helixtrans-65-43.1176.7-177.877.2000112.8R185 L186 K191 Y192 P193R185-W189 WeakPolarHBondContact O-CB 3.37Å; R185-W189 PolarHBondContact O-N 3.28Å; L186-W189 PolarHBondContact O-N 3.46Å; W189-K191 VanDerWaalsContact C-N 3.28Å; W189-K191 PolarHBondContact O-N 2.86Å; W189-Y192 CarbonylContact O-C 3.09Å; W189-Y192 VanDerWaalsContact O-C 3.28Å; W189-Y192 PolarHBondContact O-N 3.44Å; W189-P193 WeakPolarHBondContact O-CA 3.08Å; W189-P193 VanDerWaalsContact O-N 3.14Å
190L68.6Low57.1Low26 Ų26112.2 Ų112.214%0.13654%0.539CS..Hα-helixtrans-64.4-31.7175.2-73.9170.2000112.5L165 L186 Q187L165-L190 HydrophobicContact CD1-CD1 4.1Å; L186-L190 HydrophobicContact CG-CD1 4.34Å; L186-L190 WeakPolarHBondContact O-CB 3.34Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.38Å; L186-L190 PolarHBondContact O-N 3.28Å; Q187-L190 PolarHBondContact O-N 3.04Å
191K69.7Low56.5Low137 Ų137117.1 Ų117.160%0.59656%0.556SS**Hα-helixtrans-74.8-32.1176.5-170.1177.2-179.9179.80112.7Q187 A188 W189Q187-K191 VanDerWaalsContact O-CB 3.25Å; Q187-K191 WeakPolarHBondContact O-CB 3.49Å; Q187-K191 PolarHBondContact O-N 3.48Å; A188-K191 PolarHBondContact O-N 2.88Å; W189-K191 VanDerWaalsContact C-N 3.28Å; W189-K191 PolarHBondContact O-N 2.86Å
192Y64.7Low55.4Low136 Ų136116.5 Ų116.553%0.53355%0.545SS..  trans-135.867.1-179.4-59.7-68.2000114A188 W189 L194 H195A188-Y192 PolarHBondContact O-N 2.83Å; W189-Y192 CarbonylContact O-C 3.09Å; W189-Y192 VanDerWaalsContact O-C 3.28Å; W189-Y192 PolarHBondContact O-N 3.44Å; Y192-L194 PolarHBondContact O-N 2.96Å; Y192-H195 PolarHBondContact O-N 3.41Å; Y192-H195 VanDerWaalsContact O-N 3.1Å
193P55Low54.7Low77 Ų77115.8 Ų115.850%0.554%0.544SS..THydrogen-bonded Turntrans-64.6-3.6-170.9-23.334.9000116.7W189W189-P193 WeakPolarHBondContact O-CA 3.08Å; W189-P193 VanDerWaalsContact O-N 3.14Å
194L44.3Very low53.8Low170 Ų170118.1 Ų118.189%0.8956%0.564SS**THydrogen-bonded Turntrans-126.66.4-176.6-63.6175.5000113.1Y192Y192-L194 PolarHBondContact O-N 2.96Å
195H41.7Very low52.9Low149 Ų149119.3 Ų119.369%0.6957%0.567SS**SBendtrans-127.937.4-159.9-133.1-72.9000116.2Y192Y192-H195 PolarHBondContact O-N 3.41Å; Y192-H195 VanDerWaalsContact O-N 3.1Å
196E42.5Very low52Low188 Ų188116.3 Ų116.388%0.87956%0.559SS**  trans-156.2144.7149.4-117.7159.4-160.600111.6
197Y33.6Very low51.4Low209 Ų209119.3 Ų119.382%0.8258%0.575SS**  trans-105.945.5-167.2-130.9-84.1000112.4
198D38.4Very low50.5Low129 Ų129119.4 Ų119.469%0.6958%0.575SS**SBendtrans-142162.9176.4-107.2-49.6000113I200D198-I200 PolarHBondContact O-N 3.31Å
199H42.7Very low49.5Very low147 Ų147120.2 Ų120.268%0.68157%0.572SS**  trans62.331.8175.2-52.3-61.9000118.7K201H199-K201 PolarHBondContact O-N 2.91Å
200I41.9Very low48.6Very low138 Ų138117.5 Ų117.571%0.70857%0.569SS**THydrogen-bonded Turntrans-72.355172.9-40.2-180000112.8D198D198-I200 PolarHBondContact O-N 3.31Å
201K46.4Very low47.6Very low200 Ų200121.8 Ų121.887%0.8759%0.59SS**THydrogen-bonded Turntrans-132.5-14170.8-158-179.9179-173.30113.2H199H199-K201 PolarHBondContact O-N 2.91Å
202W43.3Very low46.6Very low94 Ų94119.8 Ų119.836%0.35658%0.581SS.*SBendtrans-88.1-27.6-171.5-155.163.6000114.4S204 L206W202-S204 PolarHBondContact O-N 3.11Å; W202-L206 HydrophobicContact CE3-CD2 4.44Å; W202-L206 HydrophobicContact CH2-CD1 4.34Å; W202-L206 HydrophobicContact CH2-CD2 4.11Å; W202-L206 HydrophobicContact CZ3-CD2 3.8Å
203N45.5Very low45.7Very low73 Ų73119.2 Ų119.239%0.3959%0.586SS.*Hα-helixtrans-79.6-7.4-165-73.7-0.7000116.8L207N203-L207 WeakPolarHBondContact O-CB 3.05Å
204S47.2Very low45.2Very low86 Ų86122 Ų12260%0.60159%0.593SS**Hα-helixtrans-78.6-46.1171.7-60.70000111.8W202 E208W202-S204 PolarHBondContact O-N 3.11Å; S204-E208 PolarHBondContact O-N 3.4Å
205Q48.6Very low45.2Very low115 Ų115119.1 Ų119.154%0.53758%0.582SS.*Hα-helixtrans-68.8-42.2-171.7-14974.310.900111.8N209Q205-N209 WeakPolarHBondContact O-CB 3.34Å; Q205-N209 PolarHBondContact O-N 3.36Å; Q205-N209 PolarHBondContact O-ND2 3.46Å; Q205-N209 PolarHBondContact O-OD1 3.17Å
206L48.3Very low45.1Very low60 Ų60120.8 Ų120.831%0.31459%0.587SS.*Hα-helixtrans-64-45.1179.6-164.574.9000111.3L186 W202 N209 T210L186-L206 HydrophobicContact CD1-CD2 3.8Å; W202-L206 HydrophobicContact CE3-CD2 4.44Å; W202-L206 HydrophobicContact CH2-CD1 4.34Å; W202-L206 HydrophobicContact CH2-CD2 4.11Å; W202-L206 HydrophobicContact CZ3-CD2 3.8Å; L206-N209 PolarHBondContact O-N 3.09Å; L206-T210 PolarHBondContact O-N 2.86Å; L206-T210 PolarHBondContact O-OG1 3.16Å
207L52.7Low44.6Very low102 Ų102114.9 Ų114.953%0.53458%0.577SS.*Hα-helixtrans-66.5-41.7-179.1-173.563.7000112.2N203 N209 T210 M211N203-L207 WeakPolarHBondContact O-CB 3.05Å; L207-N209 VanDerWaalsContact C-N 3.34Å; L207-T210 WeakPolarHBondContact CA-OG1 3.44Å; L207-T210 PolarHBondContact O-OG1 3.1Å; L207-M211 HydrophobicContact CD1-CE 4.3Å; L207-M211 PolarHBondContact O-N 3.06Å
208E48Very low44.4Very low91 Ų91110.1 Ų110.143%0.42557%0.574SS.*Hα-helixtrans-62.1-41.2171.6-82.4-163.5-157.100111.9S204 M211 K212S204-E208 PolarHBondContact O-N 3.4Å; E208-M211 PolarHBondContact O-N 2.87Å; E208-K212 WeakPolarHBondContact O-CB 3.06Å; E208-K212 WeakPolarHBondContact O-CD 3.35Å; E208-K212 WeakPolarHBondContact O-CG 3.42Å; E208-K212 PolarHBondContact O-N 2.94Å; E208-K212 WeakPolarHBondContact OE2-CE 3.46Å; E208-K212 IonicContact OE2-NZ 2.67Å; E208-K212 PolarHBondContact OE2-NZ 2.86Å
209N47Very low44.1Very low74 Ų74114.3 Ų114.340%0.39659%0.587SS.*Hα-helixtrans-67.5-43179.9-72.2-5.9000112Q205 L206 L207 M211 K212 I213Q205-N209 WeakPolarHBondContact O-CB 3.34Å; Q205-N209 PolarHBondContact O-N 3.36Å; Q205-N209 PolarHBondContact O-ND2 3.46Å; Q205-N209 PolarHBondContact O-OD1 3.17Å; L206-N209 PolarHBondContact O-N 3.09Å; L207-N209 VanDerWaalsContact C-N 3.34Å; N209-M211 VanDerWaalsContact C-N 3.34Å; N209-M211 PolarHBondContact O-N 3.28Å; N209-K212 PolarHBondContact O-N 2.88Å; N209-I213 VanDerWaalsContact O-CG1 3.31Å; N209-I213 WeakPolarHBondContact O-CG1 3.33Å; N209-I213 PolarHBondContact O-N 3.06Å
210T50.4Low43.5Very low67 Ų67112.6 Ų112.641%0.41159%0.591SS.*Hα-helixtrans-61.1-40.2175.846.30000112.5L206 L207 I213 Q214L206-T210 PolarHBondContact O-N 2.86Å; L206-T210 PolarHBondContact O-OG1 3.16Å; L207-T210 WeakPolarHBondContact CA-OG1 3.44Å; L207-T210 PolarHBondContact O-OG1 3.1Å; T210-I213 PolarHBondContact O-N 3.5Å; T210-Q214 PolarHBondContact O-N 3.34Å
211M47.6Very low43.3Very low115 Ų115115.5 Ų115.557%0.56760%0.602SS**Hα-helixtrans-73.3-30.7176.6-70.5-174.1170.700112.9L207 E208 N209 T215L207-M211 HydrophobicContact CD1-CE 4.3Å; L207-M211 PolarHBondContact O-N 3.06Å; E208-M211 PolarHBondContact O-N 2.87Å; N209-M211 VanDerWaalsContact C-N 3.34Å; N209-M211 PolarHBondContact O-N 3.28Å; M211-T215 WeakPolarHBondContact O-CG2 3.43Å; M211-T215 PolarHBondContact O-N 3.2Å; M211-T215 PolarHBondContact O-OG1 2.96Å
212K49.2Very low42.5Very low95 Ų95113.1 Ų113.141%0.41360%0.599SS.*Hα-helixtrans-70.3-29.1173.1-73.1164.1-166.5170.30112.9E208 N209 T215E208-K212 WeakPolarHBondContact O-CB 3.06Å; E208-K212 WeakPolarHBondContact O-CD 3.35Å; E208-K212 WeakPolarHBondContact O-CG 3.42Å; E208-K212 PolarHBondContact O-N 2.94Å; E208-K212 WeakPolarHBondContact OE2-CE 3.46Å; E208-K212 IonicContact OE2-NZ 2.67Å; E208-K212 PolarHBondContact OE2-NZ 2.86Å; N209-K212 PolarHBondContact O-N 2.88Å; K212-T215 WeakPolarHBondContact CA-OG1 3.25Å; K212-T215 PolarHBondContact O-OG1 3.05Å
213I45.7Very low42.1Very low125 Ų125112.6 Ų112.664%0.64161%0.609SS**Hα-helixtrans-71.9-48.9174.5-69.8162.8000110.2N209 T210 T215 K216N209-I213 VanDerWaalsContact O-CG1 3.31Å; N209-I213 WeakPolarHBondContact O-CG1 3.33Å; N209-I213 PolarHBondContact O-N 3.06Å; T210-I213 PolarHBondContact O-N 3.5Å; I213-T215 PolarHBondContact O-N 3.39Å; I213-T215 VanDerWaalsContact O-N 3.13Å; I213-K216 PolarHBondContact O-N 3.17Å
214Q43.2Very low41.5Very low136 Ų136118.3 Ų118.364%0.63663%0.63SS**Hα-helixtrans-63.2-19.1178.3-72-178.8-21.500114.3T210T210-Q214 PolarHBondContact O-N 3.34Å
215T45.4Very low40.8Very low109 Ų109119.2 Ų119.267%0.66964%0.637SS**THydrogen-bonded Turntrans-101.43.9179.449.60000114.3M211 K212 I213M211-T215 WeakPolarHBondContact O-CG2 3.43Å; M211-T215 PolarHBondContact O-N 3.2Å; M211-T215 PolarHBondContact O-OG1 2.96Å; K212-T215 WeakPolarHBondContact CA-OG1 3.25Å; K212-T215 PolarHBondContact O-OG1 3.05Å; I213-T215 PolarHBondContact O-N 3.39Å; I213-T215 VanDerWaalsContact O-N 3.13Å
216K39.2Very low39.8Very low184 Ų184120.9 Ų120.980%0.865%0.648SS**SBendtrans-138.845.8-179.6-65-169174.8-170.10112.7I213I213-K216 PolarHBondContact O-N 3.17Å
217G31.5Very low39Very low64 Ų64125.8 Ų125.866%0.6667%0.674SS**  trans-116.918.1-173.600000116.2
218S29.9Very low37.9Very low109 Ų109126.6 Ų126.676%0.76268%0.683SS**  trans-156.385.1-179.6-64.90000112.4
219F32.7Very low37.2Very low217 Ų217129.9 Ų129.995%0.95270%0.702SS**  trans-174.8124.4145.8-100.7-64.6000108.4
220S29.2Very low36.5Very low110 Ų110131 Ų13177%0.76971%0.713SS**  trans-94.9138.717555.60000110.7
221E37.3Very low35.7Very low199 Ų199134 Ų13493%0.9373%0.732SS**  trans-157.3167.1138.9-123168-151.300112.4
222N29.4Very low35.2Very low151 Ų151135.7 Ų135.781%0.80775%0.748SS**  trans-113.1145.7-153.8-108.4-45.7000114.6
223S35.7Very low34.4Very low83 Ų83137.6 Ų137.658%0.5877%0.768SS**  trans79.9133.5146.184.50000121.1
224K33.4Very low33.6Very low192 Ų192136.7 Ų136.784%0.83577%0.773SS**  trans69.8143.3149.7-60.5151.4-169.8166.70117.2
225S32.7Very low33Very low105 Ų105135.6 Ų135.673%0.73478%0.776SS**  cis-162138.5-9.844.50000112.5
226I27.2Very low32.4Very low150 Ų150137 Ų13777%0.76978%0.784SS**  trans5120.8148.5-54165.4000117.2
227L31.1Very low31.9Very low164 Ų164131.3 Ų131.386%0.85978%0.778SS**  -155.1152.8121.8-138.583.1000111.9
228T29.3Very low32.1Very low119 Ų119135.5 Ų135.573%0.7379%0.791SS**  trans-133.5125.9-169.1-57.90000111.2
229I34.7Very low32.1Very low159 Ų159139.2 Ų139.282%0.81579%0.793SS**  trans-147.3124.5159.5-49.9179.1000109.8
230P31.2Very low32.3Very low99 Ų99136.7 Ų136.764%0.64379%0.789SS**  trans-108.1154.5171.938.3-31.1000114.1
231T33.4Very low32.4Very low130 Ų130135.1 Ų135.180%0.79879%0.791SS**  trans23.5124.1153.356.20000121.1
232T38.5Very low32.3Very low149 Ų149133.1 Ų133.191%0.91479%0.785SS**  trans-129.4161143.849.80000110.9
233T31Very low32.4Very low135 Ų135132.9 Ų132.983%0.82878%0.782SS**  trans-111.8178.6-165.251.40000113.1
234S29.5Very low32.4Very low107 Ų107137.9 Ų137.975%0.74879%0.794SS**  trans93.6149.7155.4-1490000116.4
235T31.7Very low32.5Very low113 Ų113135.3 Ų135.369%0.69379%0.789SS**  cis173.9160.9-26-66.80000102.5
236V31Very low33.1Very low138 Ų138136.2 Ų136.284%0.83679%0.792SS**  trans72.4129.4176.1-164.10000113
237G29.1Very low33.6Very low65 Ų65136.4 Ų136.467%0.6779%0.794SS**  trans-128175.1171.600000111.1
238T35.3Very low33.6Very low152 Ų152137.6 Ų137.693%0.93380%0.795SS**  trans-145.1167.4172.68.90000110.7
239K31.2Very low33.9Very low187 Ų187136.3 Ų136.381%0.81379%0.79SS**  trans-77.7163.4-176.4-57.9170.4-176.7174.30111.8
240N36.2Very low33.8Very low163 Ų163133.8 Ų133.887%0.87279%0.787SS**  trans108.1130163.6-55.3-8.9000113.4
241G31.2Very low33.9Very low78 Ų78137.6 Ų137.680%0.80479%0.794SS**  trans-91.2152.7-169.800000113.7
242I36.5Very low33.9Very low156 Ų156137.4 Ų137.480%0.879%0.793SS**  trans-124.7136.3159-64.5-179.2000106.7F244I242-F244 HydrophobicContact CG2-CD2 4.19Å; I242-F244 HydrophobicContact CG2-CE2 4Å
243I30.5Very low33.7Very low146 Ų146134.9 Ų134.975%0.74978%0.781SS**  trans-82.3127.8-175.8-61.2165.8000109.4
244F35.7Very low33.8Very low188 Ų188133.5 Ų133.583%0.82578%0.777SS**  trans-141.5120158.1-85.4-76.5000109.9I242I242-F244 HydrophobicContact CG2-CD2 4.19Å; I242-F244 HydrophobicContact CG2-CE2 4Å
245N35.5Very low34.2Very low139 Ų139136 Ų13674%0.74378%0.78SS**PPolyproline II helixtrans-79.8130.4176.8-66.3-2.7000109.9
246P44.8Very low34.5Very low123 Ų123135.8 Ų135.880%0.79978%0.779SS**PPolyproline II helixtrans-72.8131.8160.330.9-30.9000109.3
247I38.4Very low34.9Very low155 Ų155135.5 Ų135.580%0.79578%0.78SS**PPolyproline II helixtrans-77.7133.3178.3-69168.6000109.7S249I247-S249 PolarHBondContact O-N 3.41Å
248E31Very low35.2Very low189 Ų189137.2 Ų137.288%0.88378%0.781SS**PPolyproline II helixtrans-66.3124.1169.2-62.7-176.6142.500110.3
249S35.6Very low35.3Very low91 Ų91135.9 Ų135.964%0.63678%0.776SS**  trans-123.394170.253.20000110.5I247 F251I247-S249 PolarHBondContact O-N 3.41Å; S249-F251 PolarHBondContact O-N 3.47Å
250S31.6Very low35.6Very low107 Ų107135.2 Ų135.275%0.74878%0.779SS**  trans-72.1108.5178.150.90000111.6
251F34.4Very low35.5Very low178 Ų178134 Ų13478%0.78177%0.768SS**  trans-10475.6170.4-85.2-78.5000111.9S249 S253S249-F251 PolarHBondContact O-N 3.47Å; F251-S253 PolarHBondContact O-N 3.21Å
252T32.4Very low35.6Very low127 Ų127140 Ų14078%0.77977%0.767SS**  trans-84.382.7168.850.80000110.4S254T252-S254 PolarHBondContact O-N 3.42Å
253S35.3Very low35.7Very low95 Ų95139.7 Ų139.766%0.66477%0.772SS**  trans-89.773.8-177.6-600000112.9F251 I255F251-S253 PolarHBondContact O-N 3.21Å; S253-I255 PolarHBondContact O-N 2.98Å
254S33.6Very low36Very low106 Ų106139.5 Ų139.574%0.74177%0.773SS**  trans-75107.1169.455.20000110.8T252T252-S254 PolarHBondContact O-N 3.42Å
255I38.1Very low35.9Very low160 Ų160139.3 Ų139.382%0.82178%0.777SS**  trans-89.3114.3177.3-60.2179000109.9S253S253-I255 PolarHBondContact O-N 2.98Å
256T37.6Very low36.2Very low109 Ų109142.1 Ų142.167%0.66978%0.782SS**  trans-92.8145.3171.345.80000111.3
257P38.8Very low35.8Very low131 Ų131140.7 Ų140.785%0.85177%0.773SS**  trans-89.7125.3167.633-29.6000111
258S35.7Very low35.7Very low101 Ų101140.4 Ų140.471%0.70678%0.778SS**  trans-109.8138.3179.8-60.50000111.9
259P36.7Very low35.9Very low125 Ų125136.2 Ų136.281%0.81277%0.77SS**  trans-90149.1178.535.4-34.3000113.2
260I37.6Very low36Very low172 Ų172138.4 Ų138.488%0.88277%0.774SS**  trans-137.8155.5172.3-63.3-175.8000109.6
261E34.8Very low36.3Very low138 Ų138139.1 Ų139.165%0.64577%0.77SS**  trans-102.1156.2-156.3-61.1-169.282.100118.3
262R32.9Very low36.4Very low204 Ų204136.8 Ų136.877%0.7777%0.765SS**  trans49.8129.3137.2-70167.8170.5154.6-9.7121.7
263T37.9Very low36.8Very low149 Ų149138.1 Ų138.191%0.91477%0.766SS**  -164.4161.9114.1130000112
264N36.9Very low37Very low143 Ų143139.6 Ų139.677%0.76577%0.767SS**  trans-101.6160.5-168.2-63.6-47.5000114.4
265M34.1Very low37.3Very low184 Ų184140.7 Ų140.791%0.90676%0.764SS**  -168.1168.5119.7-90.1-37.7143.400112.9
266K42.4Very low37.4Very low197 Ų197139.5 Ų139.586%0.85776%0.76SS**  trans-104.5157.5-170.5-68.1-178.8176.2-178.70114.6
267P36.2Very low37.3Very low94 Ų94139.8 Ų139.861%0.6176%0.761SS**  trans-95.8175.4166.539.7-35.4000113.8
268V36.2Very low37.2Very low148 Ų148141.9 Ų141.990%0.89776%0.759SS**  trans-136.6153.6171.8175.50000109.2
269S36Very low37.3Very low101 Ų101144.4 Ų144.471%0.70676%0.76SS**  trans-135.2152.9-174.754.80000113.2
270N36.7Very low37.3Very low138 Ų138147.8 Ų147.874%0.73876%0.762SS**  trans-155.4130.2158.1-91.2-33.8000105.9
271N38Very low37.4Very low122 Ų122144.8 Ų144.865%0.65275%0.748SS**  69.813472.5-58.75.4000111.7
272N35.5Very low37.5Very low129 Ų129145.2 Ų145.269%0.6975%0.754SS**  cis-163.1-162.9-1.7-106.24.7000107.7
273I40.8Very low37.5Very low154 Ų154141.4 Ų141.479%0.7976%0.758SS**  trans86.5135.3159.2-51172.7000115.7
274D40.8Very low37.4Very low127 Ų127142.8 Ų142.868%0.67975%0.754SS**  cis-178.1167.3-42.1-97.2-31.5000108.6
275N39.4Very low37.3Very low129 Ų129142.2 Ų142.269%0.6975%0.75SS**  trans70.8128.7152-71.610.3000123.1
276D39.7Very low37.3Very low135 Ų135141.8 Ų141.872%0.72274%0.743SS**  trans65.9148.3133.3-56.1-31000122.5
277T36.5Very low36.9Very low114 Ų114139.9 Ų139.970%0.69974%0.737SS**  cis161.3151.8-26.3-88.10000106.4
278E37Very low36.6Very low175 Ų175146.4 Ų146.482%0.81875%0.751SS**  trans81.592.2176.6-47.9-135.7159.200120.2
279H36.5Very low36.5Very low155 Ų155148 Ų14872%0.71875%0.749SS**  36.7109111.7-171.333.5000119.9
280F37.3Very low36.3Very low196 Ų196151 Ų15186%0.8676%0.757SS**  trans-147.6174148.3-103.3-73.3000111.3
281N39Very low36.2Very low108 Ų108151.7 Ų151.758%0.57876%0.761SS**  trans-99158.8-150.7-58.6-38.5000117.1
282D38.4Very low36.2Very low147 Ų147154.8 Ų154.879%0.78677%0.771SS**  trans52.6109.7144.4-60.5-31000122.2
283C32.7Very low36.1Very low124 Ų124157.9 Ų157.984%0.83878%0.781SS**  6094.8124.2-158.40000119.7
284E35.9Very low35.8Very low179 Ų179162 Ų16284%0.83679%0.787SS**  trans-147.2163.8140-128.7-169.3155.500113.5
285L35.4Very low35.5Very low130 Ų130164.2 Ų164.268%0.68179%0.793SS**  trans53.482.9176.6-78.483.4000118.4Q287L285-Q287 PolarHBondContact O-N 3.22Å; L285-Q287 VanDerWaalsContact O-N 3.09Å
286K33.9Very low35.2Very low176 Ų176165.5 Ų165.577%0.76580%0.8SS**  trans-61.9100.7147.8-68.1167.8-176.81620110E528K286-E528 IonicContact NZ-OE1 2.67Å; K286-E528 PolarHBondContact NZ-OE1 3.36Å
287Q32.4Very low35.1Very low156 Ų156166 Ų16673%0.72981%0.808SS**  trans-162.1156.1159.2-110.4158.8101.100109.6L285L285-Q287 PolarHBondContact O-N 3.22Å; L285-Q287 VanDerWaalsContact O-N 3.09Å
288Y31.2Very low35Very low231 Ų231168.3 Ų168.391%0.90681%0.814SS**SBendtrans66.149.4-177.9-61.8-85.7000118.5
289E32.5Very low35Very low183 Ų183167.8 Ų167.886%0.85582%0.816SS**  trans-142.398.3156-137.5172.6-142.100114.2
290N32.9Very low34.8Very low164 Ų164167.4 Ų167.488%0.87782%0.82SS**SBendtrans-1658.6164.9-114.3-81000113.7
291N34.3Very low34.7Very low152 Ų152165 Ų16581%0.81381%0.811SS**SBendtrans-122.711.2-164.3-85.4-37.6000115.5
292H38.2Very low34.7Very low186 Ų186165 Ų16586%0.86182%0.817SS**SBendtrans-125.327-172.1-90.717.2000115.9
293H33.4Very low34.5Very low194 Ų194165.6 Ų165.690%0.89882%0.815SS**SBendtrans-125.837.2171.7-138.273.6000113.9
294R33.9Very low34.7Very low241 Ų241166.3 Ų166.391%0.90981%0.811SS**SBendtrans-129.423.5-177.9-138.6-179.2-163.2-74.1-3.4115.2
295Q35.4Very low34.4Very low174 Ų174165.3 Ų165.381%0.81381%0.81SS**SBendtrans-131.7160.7171.6-67.3179.4-10.900108.9
296N33.4Very low34.4Very low156 Ų156166.5 Ų166.583%0.83481%0.807SS**SBendtrans7156.9179.5-56.4-21.5000117.8
297T36.1Very low34.6Very low145 Ų145166.6 Ų166.689%0.8981%0.807SS**  trans-153.254.6147.38.10000111.9
298I35.8Very low34.7Very low162 Ų162165.6 Ų165.683%0.83180%0.801SS**  trans-110.375.1169.4-53.6-179000108.2
299L36.2Very low35Very low164 Ų164158.7 Ų158.786%0.85978%0.782SS**  trans-79.7127.6168.9-176.962.1000109Q301L299-Q301 PolarHBondContact O-N 2.88Å; L299-Q301 VanDerWaalsContact O-N 3.13Å
300N31.9Very low35.6Very low148 Ų148157.3 Ų157.379%0.79177%0.774SS**  trans-58.9114.2-174.6-71.7-44.6000112.7
301Q36.8Very low35.8Very low144 Ų144152.8 Ų152.867%0.67376%0.755SS**  trans-118122.1149.9-70.5-168.58.600108.1L299 Q303L299-Q301 PolarHBondContact O-N 2.88Å; L299-Q301 VanDerWaalsContact O-N 3.13Å; Q301-Q303 PolarHBondContact O-N 3.5Å
302P37.4Very low36.2Very low109 Ų109149.2 Ų149.271%0.70874%0.742SS**  trans-66.2104.8175.626.9-32.6000108.7N304P302-N304 PolarHBondContact O-N 3.1Å; P302-N304 PolarHBondContact O-ND2 3.06Å
303Q35.7Very low36.4Very low159 Ų159144.1 Ų144.174%0.74372%0.717SS**  trans-6489.4170-67.4-66.3-24.500107.8Q301 L305Q301-Q303 PolarHBondContact O-N 3.5Å; Q303-L305 PolarHBondContact O-N 3.1Å
304N36Very low36.6Very low140 Ų140139.8 Ų139.875%0.74970%0.701SS**  trans-62.991.5171.1-89.7-82.9000107.5P302 Y306P302-N304 PolarHBondContact O-N 3.1Å; P302-N304 PolarHBondContact O-ND2 3.06Å; N304-Y306 PolarHBondContact O-N 3.43Å
305L30Very low36.6Very low158 Ų158136.8 Ų136.883%0.82769%0.691SS**  trans-71.981.5-171.3-168.474.1000108.9Q303 K307Q303-L305 PolarHBondContact O-N 3.1Å; L305-K307 PolarHBondContact O-N 3.22Å
306Y35.2Very low36.8Very low155 Ų155136.5 Ų136.561%0.60869%0.694SS**  trans-55.7104.7174.658.9-84.6000107.8N304 F308N304-Y306 PolarHBondContact O-N 3.43Å; Y306-F308 HydrophobicContact CD2-CD2 4.44Å; Y306-F308 AromaticContact CE2-CD2 3.77Å; Y306-F308 HydrophobicContact CE2-CD2 3.77Å; Y306-F308 HydrophobicContact CE2-CE2 4.19Å; Y306-F308 PolarHBondContact O-N 2.99Å
307K38.6Very low36.9Very low178 Ų178133.4 Ų133.477%0.77468%0.677SS**  trans-56.6108.2-166.9-162.9168.2-173.7173.30108.1L305 T309L305-K307 PolarHBondContact O-N 3.22Å; K307-T309 VanDerWaalsContact C-N 3.26Å; K307-T309 PolarHBondContact O-N 2.85Å
308F34.1Very low36.7Very low135 Ų135134 Ų13459%0.59268%0.675SS**  trans-73.679-162-161.9-84.3000110.4Y306 K310 L401Y306-F308 HydrophobicContact CD2-CD2 4.44Å; Y306-F308 AromaticContact CE2-CD2 3.77Å; Y306-F308 HydrophobicContact CE2-CD2 3.77Å; Y306-F308 HydrophobicContact CE2-CE2 4.19Å; Y306-F308 PolarHBondContact O-N 2.99Å; F308-K310 PolarHBondContact O-N 3.43Å; F308-L401 HydrophobicContact CE2-CD2 4.17Å; F308-L401 HydrophobicContact CZ-CD2 4.05Å
309T37.1Very low36.7Very low86 Ų86135.5 Ų135.553%0.52868%0.675SS.*  trans-72.789.2-175.341.30000109.9K307 S311 S312K307-T309 VanDerWaalsContact C-N 3.26Å; K307-T309 PolarHBondContact O-N 2.85Å; T309-S311 PolarHBondContact O-N 3.31Å; T309-S312 VanDerWaalsContact O-CB 3.28Å; T309-S312 WeakPolarHBondContact O-CB 3.37Å; T309-S312 PolarHBondContact O-N 2.9Å
310K44.7Very low36.7Very low154 Ų154133.6 Ų133.667%0.6768%0.676SS**THydrogen-bonded Turntrans-51.1-26.5172.1-165.1173.6179.6-178.30112.3F308 S312 F313F308-K310 PolarHBondContact O-N 3.43Å; K310-S312 PolarHBondContact O-N 3.45Å; K310-F313 PolarHBondContact O-N 3.49Å
311S37.1Very low37.1Very low69 Ų69132.1 Ų132.148%0.48368%0.677SS.*Hα-helixtrans-60.7-14.3169.553.70000115.5T309 F313 Y315T309-S311 PolarHBondContact O-N 3.31Å; S311-F313 PolarHBondContact O-N 2.94Å; S311-Y315 WeakPolarHBondContact O-CD2 3.47Å
312S43Very low37.3Very low77 Ų77134.8 Ų134.854%0.53869%0.687SS.*Hα-helixtrans-72.7-8.9178.5-170.10000114T309 K310T309-S312 VanDerWaalsContact O-CB 3.28Å; T309-S312 WeakPolarHBondContact O-CB 3.37Å; T309-S312 PolarHBondContact O-N 2.9Å; K310-S312 PolarHBondContact O-N 3.45Å
313F42.3Very low37.2Very low78 Ų78138.3 Ų138.334%0.34269%0.694SS.*Hα-helixtrans-107.6-42.1-175.7-135.7-78.3000114.7K310 S311 I342 Y406K310-F313 PolarHBondContact O-N 3.49Å; S311-F313 PolarHBondContact O-N 2.94Å; F313-I342 HydrophobicContact CE1-CG2 4.31Å; F313-I342 HydrophobicContact CZ-CG2 4.15Å; F313-Y406 VanDerWaalsContact CD1-OH 3.32Å; F313-Y406 WeakPolarHBondContact CD1-OH 3.4Å; F313-Y406 AromaticContact CE1-CE2 3.66Å; F313-Y406 HydrophobicContact CE1-CE2 3.66Å; F313-Y406 AromaticContact CE1-CZ 3.5Å; F313-Y406 WeakPolarHBondContact CE1-OH 3.47Å; F313-Y406 HydrophobicContact CE2-CE2 4Å; F313-Y406 HydrophobicContact CZ-CD2 4.28Å; F313-Y406 AromaticContact CZ-CE2 3.32Å; F313-Y406 HydrophobicContact CZ-CE2 3.32Å; F313-Y406 AromaticContact CZ-CZ 3.71Å
314D37.2Very low37.4Very low104 Ų104138.7 Ų138.756%0.55670%0.701SS**Hα-helixtrans-96.6-8.2-160.1-61.4-42000116.1
315Y33.8Very low37.3Very low178 Ų178136.7 Ų136.770%0.69870%0.698SS**SBendtrans-80.4137.3175.1-71.3-92.6000112S311S311-Y315 WeakPolarHBondContact O-CD2 3.47Å
316L39.6Very low38Very low168 Ų168135.5 Ų135.588%0.8869%0.692SS**SBendtrans84.744.7179.1-49.5176000117.9
317N36.2Very low38.2Very low90 Ų90135 Ų13548%0.48170%0.7SS.*  trans-133.7-0.6162.8-155.688.9000116K319 H339 G340 H341N317-K319 PolarHBondContact O-N 2.93Å; N317-H339 PolarHBondContact ND2-O 3.1Å; N317-G340 VanDerWaalsContact ND2-CA 3.25Å; N317-G340 WeakPolarHBondContact ND2-CA 3.49Å; N317-G340 WeakPolarHBondContact OD1-CA 3.46Å; N317-H341 PolarHBondContact OD1-N 3.05Å
318D31.6Very low38.5Very low158 Ų158135.9 Ų135.985%0.84570%0.704SS**  trans-98.480.3-177.8-167.810.8000113.6
319K36.9Very low38.8Very low193 Ų193134.5 Ų134.584%0.83971%0.707SS**SBendtrans-148129.7148.3-71.2-160177.8-1770109.6N317N317-K319 PolarHBondContact O-N 2.93Å
320S35.3Very low39.2Very low125 Ų125136.7 Ų136.787%0.87471%0.711SS**  trans72.99817371.30000118.9
321S40.6Very low39.1Very low117 Ų117132.9 Ų132.982%0.81870%0.704SS**  -159.1132.6120.7-168.10000110.1
322K41Very low39.1Very low199 Ų199135.6 Ų135.687%0.86570%0.704SS**  trans-87.6168.7166.6-87.2-173.9173.2-1770110.7
323Q36.1Very low39.3Very low184 Ų184139.6 Ų139.686%0.8671%0.712SS**  trans-61.7149.1-174-63.5156.5-4600113.5
324N38.3Very low39.5Very low166 Ų166146.2 Ų146.289%0.88874%0.735SS**  -159148.9120.1-97.7-10.9000108.7
325S35.5Very low39.8Very low98 Ų98144.4 Ų144.469%0.68573%0.728SS**  trans-105-172.5-170.556.50000113.2
326D43.1Very low40.5Very low133 Ų133141.9 Ų141.971%0.71173%0.725SS**  trans96.3132.8157.8-51.3-7.5000118.7
327N40.9Very low41Very low146 Ų146140.7 Ų140.778%0.78171%0.713SS**  trans66.679.3154.6-55.8-31.2000119.5
328K44.1Very low41.9Very low196 Ų196141.9 Ų141.985%0.85271%0.711SS**  -168.2126.8128.3-106148.1-170.6168.90115
329T39.6Very low43.1Very low106 Ų106142.2 Ų142.265%0.6571%0.707SS**  trans-74.2170.3179.3-5.70000113.4S331 Y332T329-S331 PolarHBondContact O-N 3.04Å; T329-Y332 HydrophobicContact CG2-CE1 4.44Å
330E46.1Very low44.8Very low131 Ų131134.2 Ų134.261%0.61268%0.68SS**SBendtrans52.9-40.2177.3-92.237.9-109.300119.8Y332E330-Y332 VanDerWaalsContact C-N 3.26Å; E330-Y332 VanDerWaalsContact N-CE1 3.32Å; E330-Y332 PolarHBondContact O-N 3.1Å
331S42.5Very low46.9Very low74 Ų74131.9 Ų131.952%0.51766%0.655SS.*G310 helixtrans-69.7-22.9-172.2-160.90000113.4T329 K333 R334T329-S331 PolarHBondContact O-N 3.04Å; S331-K333 PolarHBondContact O-N 2.73Å; S331-R334 PolarHBondContact O-N 3.27Å
332Y37.5Very low49.1Very low126 Ų126127.4 Ų127.449%0.49462%0.621SS.*G310 helixtrans-66.5-30.6-17457.1-90.2000114.1T329 E330 R334 T335T329-Y332 HydrophobicContact CG2-CE1 4.44Å; E330-Y332 VanDerWaalsContact C-N 3.26Å; E330-Y332 VanDerWaalsContact N-CE1 3.32Å; E330-Y332 PolarHBondContact O-N 3.1Å; Y332-R334 VanDerWaalsContact C-N 3.33Å; Y332-R334 PolarHBondContact O-N 3.01Å; Y332-T335 CarbonylContact O-C 3.28Å; Y332-T335 PolarHBondContact O-N 3.35Å; Y332-T335 VanDerWaalsContact O-N 3.13Å
333K47.1Very low51.5Low162 Ų162123.5 Ų123.570%0.70460%0.604SS**G310 helixtrans-65.7-31.2178.7-73.2-175.1177.7176.80113.4S331 T335S331-K333 PolarHBondContact O-N 2.73Å; K333-T335 VanDerWaalsContact C-N 3.31Å
334R45.7Very low54.2Low217 Ų217119.3 Ų119.382%0.81958%0.583SS**G310 helixtrans-80.6-10.5175.2-75.7-167.7-67.6178.8-4.4113.8S331 Y332S331-R334 PolarHBondContact O-N 3.27Å; Y332-R334 VanDerWaalsContact C-N 3.33Å; Y332-R334 PolarHBondContact O-N 3.01Å
335T43.6Very low56.9Low66 Ų66112.9 Ų112.941%0.40555%0.551SS.*  trans-133.385.8169.766.90000110.3Y332 K333 K337Y332-T335 CarbonylContact O-C 3.28Å; Y332-T335 PolarHBondContact O-N 3.35Å; Y332-T335 VanDerWaalsContact O-N 3.13Å; K333-T335 VanDerWaalsContact C-N 3.31Å; T335-K337 PolarHBondContact O-N 3.01Å; T335-K337 WeakPolarHBondContact OG1-CE 3.45Å
336I48.8Very low59.8Low125 Ų125110.7 Ų110.764%0.64153%0.531SS*.  trans-58.391.1140.8-61.3178.2000105Y338I336-Y338 VanDerWaalsContact C-N 3.26Å; I336-Y338 HydrophobicContact CB-CE2 4.18Å; I336-Y338 HydrophobicContact CG2-CD2 4.14Å; I336-Y338 HydrophobicContact CG2-CE1 4.35Å; I336-Y338 HydrophobicContact CG2-CE2 3.71Å; I336-Y338 VanDerWaalsContact O-CD2 3.28Å; I336-Y338 WeakPolarHBondContact O-CD2 3.32Å; I336-Y338 PolarHBondContact O-N 3.07Å
337K49.7Very low62.4Low143 Ų143108.7 Ų108.762%0.62252%0.52SS*.  trans-71.792.7174.6-69.5179.8-176.1167.30105.6T335 H339T335-K337 PolarHBondContact O-N 3.01Å; T335-K337 WeakPolarHBondContact OG1-CE 3.45Å; K337-H339 PolarHBondContact O-CE1 3.04Å; K337-H339 PolarHBondContact O-N 3.31Å; K337-H339 PolarHBondContact O-ND1 3.23Å
338Y55.4Low65.1Low114 Ų114102 Ų10245%0.44749%0.485SS..  trans-55.3110.9155.3-62.7-86000105.6I336 G340 I342 Y406I336-Y338 VanDerWaalsContact C-N 3.26Å; I336-Y338 HydrophobicContact CB-CE2 4.18Å; I336-Y338 HydrophobicContact CG2-CD2 4.14Å; I336-Y338 HydrophobicContact CG2-CE1 4.35Å; I336-Y338 HydrophobicContact CG2-CE2 3.71Å; I336-Y338 VanDerWaalsContact O-CD2 3.28Å; I336-Y338 WeakPolarHBondContact O-CD2 3.32Å; I336-Y338 PolarHBondContact O-N 3.07Å; Y338-G340 PolarHBondContact O-N 3.27Å; Y338-I342 HydrophobicContact CD2-CD1 3.89Å; Y338-I342 HydrophobicContact CG-CD1 4.03Å; Y338-I342 HydrophobicContact CG-CG1 4.45Å; Y338-Y406 AromaticContact CD1-CE1 3.9Å; Y338-Y406 HydrophobicContact CD1-CE1 3.9Å; Y338-Y406 AromaticContact CD2-CD1 3.77Å; Y338-Y406 HydrophobicContact CD2-CD1 3.77Å; Y338-Y406 AromaticContact CD2-CE1 3.92Å; Y338-Y406 HydrophobicContact CD2-CE1 3.92Å; Y338-Y406 HydrophobicContact CE1-CD1 4.4Å; Y338-Y406 AromaticContact CE1-CE1 3.7Å; Y338-Y406 HydrophobicContact CE1-CE1 3.7Å; Y338-Y406 AromaticContact CE2-CD1 3.56Å; Y338-Y406 HydrophobicContact CE2-CD1 3.56Å; Y338-Y406 AromaticContact CE2-CE1 3.72Å; Y338-Y406 HydrophobicContact CE2-CE1 3.72Å; Y338-Y406 HydrophobicContact CG-CD1 4.29Å; Y338-Y406 HydrophobicContact CG-CE1 4.01Å; Y338-Y406 AromaticContact CZ-CD1 3.91Å; Y338-Y406 AromaticContact CZ-CE1 3.61Å
339H57.6Low67.6Low166 Ų16695.5 Ų95.577%0.76946%0.457SS*.SBendtrans-7534.6-173.9-78.268.7000111.6N317 K337N317-H339 PolarHBondContact ND2-O 3.1Å; K337-H339 PolarHBondContact O-CE1 3.04Å; K337-H339 PolarHBondContact O-N 3.31Å; K337-H339 PolarHBondContact O-ND1 3.23Å
340G72Confident70.4Confident25 Ų2594.3 Ų94.326%0.25845%0.445SS..SBendtrans-150.9159.5-170.400000113.3N317 Y338 I342N317-G340 VanDerWaalsContact ND2-CA 3.25Å; N317-G340 WeakPolarHBondContact ND2-CA 3.49Å; N317-G340 WeakPolarHBondContact OD1-CA 3.46Å; Y338-G340 PolarHBondContact O-N 3.27Å; G340-I342 PolarHBondContact O-N 3Å
341H79.3Confident72.8Confident75 Ų7589.3 Ų89.335%0.34742%0.423SS..  trans-76.294.1177.8166.4-74.8000109.8N317 K343 N414 Y415N317-H341 PolarHBondContact OD1-N 3.05Å; H341-K343 PolarHBondContact O-N 2.87Å; H341-N414 PolarHBondContact CD2-OD1 3.43Å; H341-Y415 AromaticContact CE1-CZ 3.93Å; H341-Y415 PolarHBondContact CE1-OH 3.13Å; H341-Y415 AromaticContact NE2-CE1 3.49Å; H341-Y415 WeakPolarHBondContact NE2-CE1 3.16Å; H341-Y415 AromaticContact NE2-CZ 3.51Å
342I87.8Confident75.4Confident23 Ų2386 Ų8612%0.11840%0.399CS..  trans-62.6113.7168.8-58156.8000108.6F313 Y338 G340 H402 Y406 W409 N414F313-I342 HydrophobicContact CE1-CG2 4.31Å; F313-I342 HydrophobicContact CZ-CG2 4.15Å; Y338-I342 HydrophobicContact CD2-CD1 3.89Å; Y338-I342 HydrophobicContact CG-CD1 4.03Å; Y338-I342 HydrophobicContact CG-CG1 4.45Å; G340-I342 PolarHBondContact O-N 3Å; I342-H402 WeakPolarHBondContact CG2-NE2 3.36Å; I342-Y406 HydrophobicContact CD1-CD1 3.45Å; I342-Y406 VanDerWaalsContact CD1-CD1 3.45Å; I342-Y406 HydrophobicContact CD1-CE1 3.96Å; I342-Y406 HydrophobicContact CD1-CG 4.02Å; I342-Y406 HydrophobicContact CG1-CD1 4.02Å; I342-Y406 HydrophobicContact CG1-CE1 4.07Å; I342-Y406 HydrophobicContact CG2-CD1 4.2Å; I342-Y406 HydrophobicContact CG2-CD2 3.86Å; I342-Y406 HydrophobicContact CG2-CE1 4.4Å; I342-Y406 HydrophobicContact CG2-CE2 4.1Å; I342-Y406 HydrophobicContact CG2-CG 3.94Å; I342-W409 PolarHBondContact O-NE1 3.13Å; I342-W409 VanDerWaalsContact O-NE1 3.08Å; I342-N414 PolarHBondContact N-ND2 3.42Å; I342-N414 VanDerWaalsContact O-CG 3.29Å; I342-N414 PolarHBondContact O-ND2 3.5Å; I342-N414 PolarHBondContact O-OD1 3.31Å
343K91.1Very high78.2Confident118 Ų11881.2 Ų81.251%0.51338%0.381SS..PPolyproline II helixtrans-64.6152.1179.4-60.9165.7-172.4158.80110.7H341 H402H341-K343 PolarHBondContact O-N 2.87Å; K343-H402 PolarHBondContact O-NE2 3.06Å
344K93Very high80.5Confident95 Ų9580.1 Ų80.141%0.41338%0.377SS..PPolyproline II helixtrans-54.4145.5168.1-69.2168.9-166.8-56.10110.7W409 Y415K344-W409 HydrophobicContact CB-CH2 4.28Å; K344-W409 HydrophobicContact CB-CZ2 4.2Å; K344-W409 HydrophobicContact CG-CH2 3.81Å; K344-W409 HydrophobicContact CG-CZ2 3.71Å; K344-Y415 HydrophobicContact CD-CE2 4.07Å; K344-Y415 VanDerWaalsContact CE-CE2 3.46Å; K344-Y415 HydrophobicContact CG-CE2 3.58Å; K344-Y415 WeakPolarHBondContact CG-OH 3.49Å; K344-Y415 PolarHBondContact N-OH 3.26Å; K344-Y415 VanDerWaalsContact NZ-CD2 3.35Å
345P95.6Very high82.9Confident32 Ų3273.7 Ų73.721%0.20836%0.356CS..PPolyproline II helixtrans-58.6147.8164.325.5-31.8000110.4E398 H402P345-E398 HydrophobicContact CB-CG 3.91Å; P345-H402 HydrophobicContact CB-CB 3.82Å; P345-H402 HydrophobicContact CG-CB 4.17Å
346L95.6Very high85.3Confident51 Ų5171.8 Ų71.827%0.26734%0.343SS..PPolyproline II helixtrans-74132.8-178.3-59.9171.3000110.7M350 L351 K354 E398L346-M350 HydrophobicContact CB-CB 4.2Å; L346-M350 HydrophobicContact CD2-CB 4.02Å; L346-L351 HydrophobicContact CB-CD2 3.8Å; L346-L351 HydrophobicContact CB-CG 3.84Å; L346-L351 HydrophobicContact CD1-CD2 3.74Å; L346-L351 HydrophobicContact CG-CD2 4.43Å; L346-K354 HydrophobicContact CD1-CD 4.21Å; L346-E398 HydrophobicContact CB-CG 4.26Å
347N97.3Very high87.4Confident91 Ų9169.2 Ų69.249%0.48733%0.325SS..PPolyproline II helixtrans-82.8173.2170.178.818.7000111.3F349 M350 L351N347-F349 PolarHBondContact O-N 2.88Å; N347-F349 PolarHBondContact OD1-N 3.4Å; N347-M350 PolarHBondContact O-N 3.48Å; N347-M350 VanDerWaalsContact O-N 3.1Å; N347-M350 VanDerWaalsContact OD1-CG 3.32Å; N347-M350 WeakPolarHBondContact OD1-CG 3.47Å; N347-M350 PolarHBondContact OD1-N 3.22Å; N347-L351 WeakPolarHBondContact O-CG 3.03Å; N347-L351 PolarHBondContact O-N 3.17Å
348A97.6Very high89.5Confident6 Ų666 Ų665%0.0532%0.321CS..Hα-helixtrans-55.9-46.2-174.900000113.3L351 F352 W380 Y392 A395A348-L351 PolarHBondContact O-N 2.75Å; A348-F352 PolarHBondContact O-N 2.9Å; A348-W380 HydrophobicContact CB-CH2 3.73Å; A348-W380 HydrophobicContact CB-CZ2 4.28Å; A348-Y392 HydrophobicContact CB-CD1 3.87Å; A348-Y392 HydrophobicContact CB-CD2 4.4Å; A348-Y392 HydrophobicContact CB-CE1 4.06Å; A348-Y392 HydrophobicContact CB-CG 4.05Å; A348-A395 HydrophobicContact CB-CB 4.19Å
349F97.3Very high91.2Very high59 Ų5964.9 Ų64.926%0.25932%0.319SS..Hα-helixtrans-68.1-35.9177.2178.9-121.7000112.8N347 L351 F352 M353 W380N347-F349 PolarHBondContact O-N 2.88Å; N347-F349 PolarHBondContact OD1-N 3.4Å; F349-L351 VanDerWaalsContact C-N 3.34Å; F349-F352 HydrophobicContact CD2-CD1 4.07Å; F349-F352 HydrophobicContact CE2-CD1 4.18Å; F349-F352 PolarHBondContact O-N 2.88Å; F349-M353 HydrophobicContact CD1-CE 3.69Å; F349-M353 HydrophobicContact CD1-SD 4.3Å; F349-M353 HydrophobicContact CD2-CG 4.21Å; F349-M353 HydrophobicContact CE1-CE 3.42Å; F349-M353 VanDerWaalsContact CE1-CE 3.42Å; F349-M353 HydrophobicContact CE1-CG 4.13Å; F349-M353 HydrophobicContact CE1-SD 3.55Å; F349-M353 VanDerWaalsContact CE1-SD 3.55Å; F349-M353 HydrophobicContact CE2-CG 3.77Å; F349-M353 HydrophobicContact CE2-SD 4.16Å; F349-M353 HydrophobicContact CG-CE 4.44Å; F349-M353 HydrophobicContact CZ-CE 3.98Å; F349-M353 HydrophobicContact CZ-CG 3.73Å; F349-M353 HydrophobicContact CZ-SD 3.47Å; F349-M353 WeakPolarHBondContact CZ-SD 3.36Å; F349-M353 WeakPolarHBondContact O-CB 3.36Å; F349-M353 WeakPolarHBondContact O-CG 3.21Å; F349-M353 PolarHBondContact O-N 3.44Å; F349-W380 HydrophobicContact CB-CD2 4.37Å; F349-W380 HydrophobicContact CD2-CB 3.69Å; F349-W380 AromaticContact CD2-CD2 3.81Å; F349-W380 HydrophobicContact CD2-CD2 3.81Å; F349-W380 HydrophobicContact CD2-CE3 4.26Å; F349-W380 AromaticContact CD2-CG 3.52Å; F349-W380 HydrophobicContact CD2-CG 3.52Å; F349-W380 HydrophobicContact CE2-CB 3.69Å; F349-W380 HydrophobicContact CE2-CG 4.02Å; F349-W380 HydrophobicContact CG-CG 4.47Å
350M97Very high92.9Very high82 Ų8257 Ų5740%0.40428%0.283SS..Hα-helixtrans-66.5-34.4174.4-68.3-60.8-51.400112.3L346 N347 M353 K354L346-M350 HydrophobicContact CB-CB 4.2Å; L346-M350 HydrophobicContact CD2-CB 4.02Å; N347-M350 PolarHBondContact O-N 3.48Å; N347-M350 VanDerWaalsContact O-N 3.1Å; N347-M350 VanDerWaalsContact OD1-CG 3.32Å; N347-M350 WeakPolarHBondContact OD1-CG 3.47Å; N347-M350 PolarHBondContact OD1-N 3.22Å; M350-M353 HydrophobicContact CE-CE 4.1Å; M350-M353 HydrophobicContact SD-CE 3.36Å; M350-M353 WeakPolarHBondContact SD-CE 3.46Å; M350-K354 WeakPolarHBondContact O-CB 3.46Å; M350-K354 PolarHBondContact O-N 3.18Å
351L97Very high93.8Very high26 Ų2660 Ų6014%0.13629%0.292CS..Hα-helixtrans-68.5-47.3172.7-70167.7000111.2L346 N347 A348 F349 M353 K354 E355 Y391 L394 A395L346-L351 HydrophobicContact CB-CD2 3.8Å; L346-L351 HydrophobicContact CB-CG 3.84Å; L346-L351 HydrophobicContact CD1-CD2 3.74Å; L346-L351 HydrophobicContact CG-CD2 4.43Å; N347-L351 WeakPolarHBondContact O-CG 3.03Å; N347-L351 PolarHBondContact O-N 3.17Å; A348-L351 PolarHBondContact O-N 2.75Å; F349-L351 VanDerWaalsContact C-N 3.34Å; L351-M353 PolarHBondContact O-N 2.85Å; L351-K354 WeakPolarHBondContact O-CB 3.28Å; L351-K354 PolarHBondContact O-N 2.96Å; L351-K354 VanDerWaalsContact O-N 3.09Å; L351-E355 PolarHBondContact O-N 3.33Å; L351-E355 VanDerWaalsContact O-N 3.11Å; L351-Y391 HydrophobicContact CB-CD1 4.17Å; L351-L394 HydrophobicContact CD1-CB 3.71Å; L351-A395 HydrophobicContact CD1-CB 3.98Å
352F97.6Very high94.3Very high3 Ų360.7 Ų60.71%0.01331%0.311CS..Hα-helixtrans-57.2-45.6173.6171.6-98.7000112.2A348 F349 K354 E355 M356 L376 K379 W380 L383 Y391A348-F352 PolarHBondContact O-N 2.9Å; F349-F352 HydrophobicContact CD2-CD1 4.07Å; F349-F352 HydrophobicContact CE2-CD1 4.18Å; F349-F352 PolarHBondContact O-N 2.88Å; F352-K354 VanDerWaalsContact C-N 3.31Å; F352-K354 PolarHBondContact O-N 3.31Å; F352-E355 PolarHBondContact O-N 3.2Å; F352-E355 VanDerWaalsContact O-N 3.17Å; F352-M356 HydrophobicContact CD1-CG 4.38Å; F352-M356 HydrophobicContact CD2-CG 3.69Å; F352-M356 HydrophobicContact CE1-CB 4.44Å; F352-M356 HydrophobicContact CE1-CG 4.12Å; F352-M356 HydrophobicContact CE2-CG 3.41Å; F352-M356 VanDerWaalsContact CE2-CG 3.41Å; F352-M356 HydrophobicContact CE2-SD 4.12Å; F352-M356 HydrophobicContact CG-CG 4.19Å; F352-M356 HydrophobicContact CZ-CB 4.35Å; F352-M356 HydrophobicContact CZ-CG 3.66Å; F352-M356 WeakPolarHBondContact O-CB 3.45Å; F352-M356 WeakPolarHBondContact O-CG 3.43Å; F352-M356 PolarHBondContact O-N 3.03Å; F352-L376 HydrophobicContact CE1-CD2 4.39Å; F352-L376 WeakPolarHBondContact CE1-O 3.33Å; F352-K379 HydrophobicContact CE1-CB 4.37Å; F352-K379 HydrophobicContact CZ-CB 3.88Å; F352-W380 HydrophobicContact CB-CE3 3.63Å; F352-W380 HydrophobicContact CB-CZ3 3.79Å; F352-W380 HydrophobicContact CD1-CB 3.96Å; F352-W380 HydrophobicContact CD1-CD2 4.48Å; F352-W380 AromaticContact CD1-CE3 3.82Å; F352-W380 HydrophobicContact CD1-CE3 3.82Å; F352-W380 HydrophobicContact CD2-CE3 4.01Å; F352-W380 HydrophobicContact CD2-CZ3 4.48Å; F352-W380 HydrophobicContact CE1-CB 3.69Å; F352-W380 HydrophobicContact CE1-CE3 4.46Å; F352-W380 AromaticContact CG-CE3 3.56Å; F352-W380 HydrophobicContact CG-CE3 3.56Å; F352-W380 HydrophobicContact CG-CZ3 4.14Å; F352-W380 HydrophobicContact CZ-CB 4.3Å; F352-L383 HydrophobicContact CD2-CD1 3.75Å; F352-L383 HydrophobicContact CE2-CD1 3.59Å; F352-L383 HydrophobicContact CE2-CD2 4.19Å; F352-L383 HydrophobicContact CE2-CG 4.04Å; F352-L383 HydrophobicContact CZ-CD1 4.4Å; F352-Y391 HydrophobicContact CB-CD1 4.13Å; F352-Y391 HydrophobicContact CB-CD2 4.37Å; F352-Y391 HydrophobicContact CB-CE1 4.17Å; F352-Y391 HydrophobicContact CB-CE2 4.41Å; F352-Y391 HydrophobicContact CB-CG 4.24Å; F352-Y391 HydrophobicContact CD2-CD2 4.39Å; F352-Y391 HydrophobicContact CD2-CE1 4.49Å; F352-Y391 AromaticContact CD2-CE2 3.78Å; F352-Y391 HydrophobicContact CD2-CE2 3.78Å; F352-Y391 AromaticContact CD2-CZ 3.83Å
353M96Very high94.4Very high27 Ų2765.1 Ų65.113%0.13333%0.331CS..Hα-helixtrans-63.7-33.8174.7-75.5-162.3-66.300112.8F349 M350 L351 E355 R357 L376F349-M353 HydrophobicContact CD1-CE 3.69Å; F349-M353 HydrophobicContact CD1-SD 4.3Å; F349-M353 HydrophobicContact CD2-CG 4.21Å; F349-M353 HydrophobicContact CE1-CE 3.42Å; F349-M353 VanDerWaalsContact CE1-CE 3.42Å; F349-M353 HydrophobicContact CE1-CG 4.13Å; F349-M353 HydrophobicContact CE1-SD 3.55Å; F349-M353 VanDerWaalsContact CE1-SD 3.55Å; F349-M353 HydrophobicContact CE2-CG 3.77Å; F349-M353 HydrophobicContact CE2-SD 4.16Å; F349-M353 HydrophobicContact CG-CE 4.44Å; F349-M353 HydrophobicContact CZ-CE 3.98Å; F349-M353 HydrophobicContact CZ-CG 3.73Å; F349-M353 HydrophobicContact CZ-SD 3.47Å; F349-M353 WeakPolarHBondContact CZ-SD 3.36Å; F349-M353 WeakPolarHBondContact O-CB 3.36Å; F349-M353 WeakPolarHBondContact O-CG 3.21Å; F349-M353 PolarHBondContact O-N 3.44Å; M350-M353 HydrophobicContact CE-CE 4.1Å; M350-M353 HydrophobicContact SD-CE 3.36Å; M350-M353 WeakPolarHBondContact SD-CE 3.46Å; L351-M353 PolarHBondContact O-N 2.85Å; M353-E355 VanDerWaalsContact C-N 3.28Å; M353-E355 PolarHBondContact O-N 2.89Å; M353-R357 WeakPolarHBondContact O-CB 3.47Å; M353-R357 PolarHBondContact O-N 2.8Å; M353-L376 HydrophobicContact CG-CB 4.22Å; M353-L376 HydrophobicContact CG-CD1 4.06Å; M353-L376 HydrophobicContact SD-CD1 4.22Å
354K95.2Very high93.8Very high138 Ų13861 Ų6160%0.632%0.316SS*.Hα-helixtrans-63.9-34.7174.5-176.7-177.1174.9-175.70111.8L346 M350 L351 F352L346-K354 HydrophobicContact CD1-CD 4.21Å; M350-K354 WeakPolarHBondContact O-CB 3.46Å; M350-K354 PolarHBondContact O-N 3.18Å; L351-K354 WeakPolarHBondContact O-CB 3.28Å; L351-K354 PolarHBondContact O-N 2.96Å; L351-K354 VanDerWaalsContact O-N 3.09Å; F352-K354 VanDerWaalsContact C-N 3.31Å; F352-K354 PolarHBondContact O-N 3.31Å
355E95.4Very high93.2Very high83 Ų8363 Ų6339%0.38834%0.337SS..Hα-helixtrans-80.2-44.5178.5-158.4175.612900112.1L351 F352 M353 K390 Y391L351-E355 PolarHBondContact O-N 3.33Å; L351-E355 VanDerWaalsContact O-N 3.11Å; F352-E355 PolarHBondContact O-N 3.2Å; F352-E355 VanDerWaalsContact O-N 3.17Å; M353-E355 VanDerWaalsContact C-N 3.28Å; M353-E355 PolarHBondContact O-N 2.89Å; E355-K390 IonicContact OE1-NZ 3.98Å; E355-K390 PolarHBondContact OE1-NZ 3.18Å; E355-K390 IonicContact OE2-NZ 2.83Å; E355-K390 PolarHBondContact OE2-NZ 3.43Å; E355-Y391 PolarHBondContact OE1-OH 3.1Å; E355-Y391 WeakPolarHBondContact OE2-CE1 3.4Å; E355-Y391 PolarHBondContact OE2-OH 2.92Å
356M94.9Very high92.2Very high26 Ų2665.5 Ų65.513%0.12835%0.348CS..Hα-helixtrans-94.1-18.2-168.9-61.9-71.5100.500115.5F352 S358 Q359 V360 L376F352-M356 HydrophobicContact CD1-CG 4.38Å; F352-M356 HydrophobicContact CD2-CG 3.69Å; F352-M356 HydrophobicContact CE1-CB 4.44Å; F352-M356 HydrophobicContact CE1-CG 4.12Å; F352-M356 HydrophobicContact CE2-CG 3.41Å; F352-M356 VanDerWaalsContact CE2-CG 3.41Å; F352-M356 HydrophobicContact CE2-SD 4.12Å; F352-M356 HydrophobicContact CG-CG 4.19Å; F352-M356 HydrophobicContact CZ-CB 4.35Å; F352-M356 HydrophobicContact CZ-CG 3.66Å; F352-M356 WeakPolarHBondContact O-CB 3.45Å; F352-M356 WeakPolarHBondContact O-CG 3.43Å; F352-M356 PolarHBondContact O-N 3.03Å; M356-S358 VanDerWaalsContact C-N 3.34Å; M356-S358 PolarHBondContact O-N 3.08Å; M356-Q359 VanDerWaalsContact CE-OE1 3.23Å; M356-Q359 WeakPolarHBondContact O-CB 3.22Å; M356-Q359 PolarHBondContact O-N 2.97Å; M356-Q359 VanDerWaalsContact O-N 3.16Å; M356-Q359 PolarHBondContact SD-OE1 3.23Å; M356-V360 PolarHBondContact O-N 3.15Å; M356-L376 HydrophobicContact CB-CD2 3.59Å
357R93.9Very high91.5Very high71 Ų7172.8 Ų72.827%0.26838%0.378SS..Hα-helixtrans-63.2-38.6-172.9-179179.1-165.285.53.6112.8M353 I361 S369 I372 N373 L376M353-R357 WeakPolarHBondContact O-CB 3.47Å; M353-R357 PolarHBondContact O-N 2.8Å; R357-I361 HydrophobicContact CG-CD1 3.81Å; R357-I361 WeakPolarHBondContact O-CB 3.42Å; R357-I361 WeakPolarHBondContact O-CD1 3.42Å; R357-I361 VanDerWaalsContact O-CG1 3.22Å; R357-I361 WeakPolarHBondContact O-CG1 3.42Å; R357-I361 PolarHBondContact O-N 2.77Å; R357-S369 PolarHBondContact NH2-OG 3.17Å; R357-I372 HydrophobicContact CG-CG2 4.21Å; R357-N373 PolarHBondContact NH1-OD1 3.41Å; R357-L376 HydrophobicContact CB-CD1 4.01Å; R357-L376 HydrophobicContact CG-CD1 4.17Å
358S91.9Very high91.1Very high76 Ų7674.8 Ų74.853%0.53138%0.384SS..Hα-helixtrans-63-43.1174.444.50000111.6M356 I361 A362M356-S358 VanDerWaalsContact C-N 3.34Å; M356-S358 PolarHBondContact O-N 3.08Å; S358-I361 PolarHBondContact O-N 2.91Å; S358-A362 PolarHBondContact O-N 3.34Å
359Q93Very high90.7Very high90 Ų9077.6 Ų77.642%0.42140%0.403SS..Hα-helixtrans-62.6-48.5178.1-56.7-179300111M356 I361 A362 E363M356-Q359 VanDerWaalsContact CE-OE1 3.23Å; M356-Q359 WeakPolarHBondContact O-CB 3.22Å; M356-Q359 PolarHBondContact O-N 2.97Å; M356-Q359 VanDerWaalsContact O-N 3.16Å; M356-Q359 PolarHBondContact SD-OE1 3.23Å; Q359-I361 VanDerWaalsContact C-N 3.28Å; Q359-I361 PolarHBondContact O-N 3.21Å; Q359-A362 PolarHBondContact O-N 3.08Å; Q359-E363 WeakPolarHBondContact O-CG 3.33Å; Q359-E363 PolarHBondContact O-N 2.95Å
360V91.7Very high90.6Very high0 Ų077.6 Ų77.60%041%0.414CS..Hα-helixtrans-63.7-30.7176.6172.90000112.6M356 C364 I372 I375 L376 K379M356-V360 PolarHBondContact O-N 3.15Å; V360-C364 WeakPolarHBondContact O-CB 3.5Å; V360-C364 PolarHBondContact O-N 2.96Å; V360-C364 VanDerWaalsContact O-N 3.1Å; V360-I372 HydrophobicContact CG1-CG2 4.05Å; V360-I375 HydrophobicContact CG1-CB 3.97Å; V360-I375 HydrophobicContact CG1-CD1 4.29Å; V360-I375 HydrophobicContact CG1-CG2 3.67Å; V360-I375 HydrophobicContact CG2-CG2 4.14Å; V360-L376 HydrophobicContact CB-CD2 4.37Å; V360-L376 HydrophobicContact CG2-CD2 3.79Å; V360-L376 HydrophobicContact CG2-CG 4.27Å; V360-K379 HydrophobicContact CG2-CD 4.03Å
361I90.9Very high90.4Very high88 Ų8874.4 Ų74.445%0.45140%0.401SS..Hα-helixtrans-73-30.1173.5-73.1168.3000112.1R357 S358 Q359 I372R357-I361 HydrophobicContact CG-CD1 3.81Å; R357-I361 WeakPolarHBondContact O-CB 3.42Å; R357-I361 WeakPolarHBondContact O-CD1 3.42Å; R357-I361 VanDerWaalsContact O-CG1 3.22Å; R357-I361 WeakPolarHBondContact O-CG1 3.42Å; R357-I361 PolarHBondContact O-N 2.77Å; S358-I361 PolarHBondContact O-N 2.91Å; Q359-I361 VanDerWaalsContact C-N 3.28Å; Q359-I361 PolarHBondContact O-N 3.21Å; I361-I372 HydrophobicContact CD1-CD1 4.18Å; I361-I372 HydrophobicContact CG1-CD1 3.64Å; I361-I372 HydrophobicContact CG1-CG1 4.24Å; I361-I372 HydrophobicContact CG1-CG2 4.3Å
362A90.9Very high90.2Very high89 Ų8973.5 Ų73.574%0.73640%0.396SS*.Hα-helixtrans-78.6-37.9174.800000112.3S358 Q359S358-A362 PolarHBondContact O-N 3.34Å; Q359-A362 PolarHBondContact O-N 3.08Å
363E89.2Confident90Very high116 Ų11676.7 Ų76.754%0.54241%0.413SS..Hα-helixtrans-70.2-29.3176.1-70.1167.9-149.800113.4Q359 K379Q359-E363 WeakPolarHBondContact O-CG 3.33Å; Q359-E363 PolarHBondContact O-N 2.95Å; E363-K379 IonicContact OE1-NZ 2.8Å; E363-K379 PolarHBondContact OE1-NZ 2.89Å; E363-K379 IonicContact OE2-NZ 2.81Å; E363-K379 PolarHBondContact OE2-NZ 3.44Å
364C78.4Confident90Very high31 Ų3181.3 Ų81.321%0.20944%0.435CS..  trans-120.1124.4-166.7-162.60000112.5V360 L366 I375V360-C364 WeakPolarHBondContact O-CB 3.5Å; V360-C364 PolarHBondContact O-N 2.96Å; V360-C364 VanDerWaalsContact O-N 3.1Å; C364-L366 PolarHBondContact O-N 3.06Å; C364-L366 VanDerWaalsContact O-N 3.1Å; C364-I375 HydrophobicContact CB-CD1 4.38Å
365T79.7Confident90Very high138 Ų13876.5 Ų76.585%0.84742%0.415SS*.  trans-66.3-9.3176.954.20000114.2K367T365-K367 PolarHBondContact O-N 2.93Å
366L75.8Confident90Very high84 Ų8472.5 Ų72.544%0.4440%0.397SS..  trans-75.8105.9-178.7-61.3178.8000111.4C364 E368 A371 I372C364-L366 PolarHBondContact O-N 3.06Å; C364-L366 VanDerWaalsContact O-N 3.1Å; L366-E368 PolarHBondContact O-N 2.67Å; L366-E368 VanDerWaalsContact O-N 3.12Å; L366-A371 HydrophobicContact CB-CB 4.33Å; L366-A371 HydrophobicContact CD1-CB 3.74Å; L366-I372 WeakPolarHBondContact O-CD1 3.29Å
367K80.2Confident90.1Very high204 Ų20472.1 Ų72.189%0.88740%0.399SS*.  trans-66.2-8.8173.8-60.6178.2-177.9176.70113.4T365 S369T365-K367 PolarHBondContact O-N 2.93Å; K367-S369 PolarHBondContact O-N 3.16Å
368E88.3Confident90.2Very high134 Ų13476.6 Ų76.663%0.62642%0.416SS*.  trans-81.3114.2-174.3-69.4-172.6-162.100113.4L366 A370 A371 I372L366-E368 PolarHBondContact O-N 2.67Å; L366-E368 VanDerWaalsContact O-N 3.12Å; E368-A370 PolarHBondContact O-N 2.94Å; E368-A370 VanDerWaalsContact O-N 3.07Å; E368-A371 HydrophobicContact CB-CB 4.27Å; E368-A371 PolarHBondContact O-N 3.29Å; E368-A371 VanDerWaalsContact O-N 3.1Å; E368-I372 WeakPolarHBondContact O-CG1 3.47Å; E368-I372 PolarHBondContact O-N 3.4Å; E368-I372 VanDerWaalsContact O-N 3.07Å
369S90.7Very high90.4Very high64 Ų6476.1 Ų76.145%0.44841%0.405SS..Hα-helixtrans-51.7-32.7175.4-173.60000113.7R357 K367 N373R357-S369 PolarHBondContact NH2-OG 3.17Å; K367-S369 PolarHBondContact O-N 3.16Å; S369-N373 WeakPolarHBondContact O-CB 3.48Å; S369-N373 PolarHBondContact O-N 2.68Å; S369-N373 PolarHBondContact O-ND2 3.04Å; S369-N373 PolarHBondContact O-OD1 3.46Å
370A94.1Very high90.6Very high59 Ų5972.6 Ų72.649%0.48839%0.387SS..Hα-helixtrans-67.3-49177.800000112.3E368 N373 Q374E368-A370 PolarHBondContact O-N 2.94Å; E368-A370 VanDerWaalsContact O-N 3.07Å; A370-N373 WeakPolarHBondContact O-CB 3.37Å; A370-N373 PolarHBondContact O-N 3Å; A370-Q374 WeakPolarHBondContact O-CG 3.35Å; A370-Q374 PolarHBondContact O-N 3.08Å
371A93.3Very high90.9Very high16 Ų1679.6 Ų79.613%0.13242%0.42CS..Hα-helixtrans-62.8-43.1176.300000111.6L366 E368 N373 Q374 I375L366-A371 HydrophobicContact CB-CB 4.33Å; L366-A371 HydrophobicContact CD1-CB 3.74Å; E368-A371 HydrophobicContact CB-CB 4.27Å; E368-A371 PolarHBondContact O-N 3.29Å; E368-A371 VanDerWaalsContact O-N 3.1Å; A371-N373 VanDerWaalsContact C-N 3.29Å; A371-N373 PolarHBondContact O-N 3.07Å; A371-Q374 WeakPolarHBondContact O-CB 3.18Å; A371-Q374 PolarHBondContact O-N 3.08Å; A371-Q374 VanDerWaalsContact O-N 3.1Å; A371-I375 WeakPolarHBondContact O-CG1 3.44Å; A371-I375 PolarHBondContact O-N 3.38Å
372I92.2Very high91.2Very high6 Ų679.5 Ų79.53%0.03143%0.432CS..Hα-helixtrans-56.7-43.2174.1-66.4157.4000110.9R357 V360 I361 L366 E368 Q374 I375 L376R357-I372 HydrophobicContact CG-CG2 4.21Å; V360-I372 HydrophobicContact CG1-CG2 4.05Å; I361-I372 HydrophobicContact CD1-CD1 4.18Å; I361-I372 HydrophobicContact CG1-CD1 3.64Å; I361-I372 HydrophobicContact CG1-CG1 4.24Å; I361-I372 HydrophobicContact CG1-CG2 4.3Å; L366-I372 WeakPolarHBondContact O-CD1 3.29Å; E368-I372 WeakPolarHBondContact O-CG1 3.47Å; E368-I372 PolarHBondContact O-N 3.4Å; E368-I372 VanDerWaalsContact O-N 3.07Å; I372-Q374 PolarHBondContact O-N 3Å; I372-I375 PolarHBondContact O-N 3.21Å; I372-L376 HydrophobicContact CG2-CD1 3.82Å; I372-L376 HydrophobicContact CG2-CG 4.46Å; I372-L376 WeakPolarHBondContact O-CB 3.44Å; I372-L376 VanDerWaalsContact O-CG 3.31Å; I372-L376 WeakPolarHBondContact O-CG 3.13Å; I372-L376 PolarHBondContact O-N 3.35Å
373N95.1Very high91.4Very high70 Ų7077.4 Ų77.437%0.37441%0.408SS..Hα-helixtrans-65.2-37.2176.6-69.4-10.8000112.7R357 S369 A370 A371 L376 G377R357-N373 PolarHBondContact NH1-OD1 3.41Å; S369-N373 WeakPolarHBondContact O-CB 3.48Å; S369-N373 PolarHBondContact O-N 2.68Å; S369-N373 PolarHBondContact O-ND2 3.04Å; S369-N373 PolarHBondContact O-OD1 3.46Å; A370-N373 WeakPolarHBondContact O-CB 3.37Å; A370-N373 PolarHBondContact O-N 3Å; A371-N373 VanDerWaalsContact C-N 3.29Å; A371-N373 PolarHBondContact O-N 3.07Å; N373-L376 PolarHBondContact O-N 3.11Å; N373-G377 PolarHBondContact O-N 3.07Å
374Q95Very high91.8Very high125 Ų12575.1 Ų75.158%0.58441%0.405SS*.Hα-helixtrans-68.6-33.4175.4-67.7174.16.400112.6A370 A371 I372 R378A370-Q374 WeakPolarHBondContact O-CG 3.35Å; A370-Q374 PolarHBondContact O-N 3.08Å; A371-Q374 WeakPolarHBondContact O-CB 3.18Å; A371-Q374 PolarHBondContact O-N 3.08Å; A371-Q374 VanDerWaalsContact O-N 3.1Å; I372-Q374 PolarHBondContact O-N 3Å; Q374-R378 WeakPolarHBondContact O-CG 3.35Å; Q374-R378 PolarHBondContact O-N 3.4Å; Q374-R378 PolarHBondContact O-NE 3.43Å; Q374-R378 VanDerWaalsContact O-NE 3.13Å
375I94.4Very high92.7Very high36 Ų3678.7 Ų78.719%0.18543%0.43CS..Hα-helixtrans-69.7-46172.6-64.4164.6000109.8V360 C364 A371 I372 G377 R378 K379V360-I375 HydrophobicContact CG1-CB 3.97Å; V360-I375 HydrophobicContact CG1-CD1 4.29Å; V360-I375 HydrophobicContact CG1-CG2 3.67Å; V360-I375 HydrophobicContact CG2-CG2 4.14Å; C364-I375 HydrophobicContact CB-CD1 4.38Å; A371-I375 WeakPolarHBondContact O-CG1 3.44Å; A371-I375 PolarHBondContact O-N 3.38Å; I372-I375 PolarHBondContact O-N 3.21Å; I375-G377 PolarHBondContact O-N 3.2Å; I375-R378 PolarHBondContact O-N 3.48Å; I375-K379 HydrophobicContact CG2-CG 4.41Å; I375-K379 PolarHBondContact O-N 2.81Å
376L96Very high93.5Very high0 Ų079.9 Ų79.90%043%0.426CS..Hα-helixtrans-61.6-41.6177.2-73.1165.5000112.6F352 M353 M356 R357 V360 I372 N373 K379 W380F352-L376 HydrophobicContact CE1-CD2 4.39Å; F352-L376 WeakPolarHBondContact CE1-O 3.33Å; M353-L376 HydrophobicContact CG-CB 4.22Å; M353-L376 HydrophobicContact CG-CD1 4.06Å; M353-L376 HydrophobicContact SD-CD1 4.22Å; M356-L376 HydrophobicContact CB-CD2 3.59Å; R357-L376 HydrophobicContact CB-CD1 4.01Å; R357-L376 HydrophobicContact CG-CD1 4.17Å; V360-L376 HydrophobicContact CB-CD2 4.37Å; V360-L376 HydrophobicContact CG2-CD2 3.79Å; V360-L376 HydrophobicContact CG2-CG 4.27Å; I372-L376 HydrophobicContact CG2-CD1 3.82Å; I372-L376 HydrophobicContact CG2-CG 4.46Å; I372-L376 WeakPolarHBondContact O-CB 3.44Å; I372-L376 VanDerWaalsContact O-CG 3.31Å; I372-L376 WeakPolarHBondContact O-CG 3.13Å; I372-L376 PolarHBondContact O-N 3.35Å; N373-L376 PolarHBondContact O-N 3.11Å; L376-K379 PolarHBondContact O-N 3.31Å; L376-W380 WeakPolarHBondContact O-CB 3.41Å; L376-W380 PolarHBondContact O-N 3.12Å
377G96.8Very high94.5Very high18 Ų1877.5 Ų77.519%0.18642%0.418CS..Hα-helixtrans-60.3-44.6174.200000112.3N373 I375 W380 H381N373-G377 PolarHBondContact O-N 3.07Å; I375-G377 PolarHBondContact O-N 3.2Å; G377-W380 PolarHBondContact O-N 3.31Å; G377-H381 PolarHBondContact O-CD2 3.04Å; G377-H381 PolarHBondContact O-N 3.17Å; G377-H381 VanDerWaalsContact O-N 3.12Å
378R96.7Very high95.3Very high165 Ų16569.6 Ų69.662%0.62339%0.385SS*.Hα-helixtrans-65.2-45.6175.4-74.7-179.2-73.8179.8-1.5112.4Q374 I375 W380 H381 A382Q374-R378 WeakPolarHBondContact O-CG 3.35Å; Q374-R378 PolarHBondContact O-N 3.4Å; Q374-R378 PolarHBondContact O-NE 3.43Å; Q374-R378 VanDerWaalsContact O-NE 3.13Å; I375-R378 PolarHBondContact O-N 3.48Å; R378-W380 VanDerWaalsContact C-N 3.3Å; R378-W380 PolarHBondContact O-N 2.93Å; R378-H381 PolarHBondContact O-N 2.82Å; R378-A382 WeakPolarHBondContact O-CB 3.31Å; R378-A382 PolarHBondContact O-N 3.32Å
379K96.2Very high95.7Very high66 Ų6665.6 Ų65.629%0.28737%0.374SS..Hα-helixtrans-60.6-37.2175-72.8-162.7178.8-169.70112F352 V360 E363 I375 L376 A382 L383F352-K379 HydrophobicContact CE1-CB 4.37Å; F352-K379 HydrophobicContact CZ-CB 3.88Å; V360-K379 HydrophobicContact CG2-CD 4.03Å; E363-K379 IonicContact OE1-NZ 2.8Å; E363-K379 PolarHBondContact OE1-NZ 2.89Å; E363-K379 IonicContact OE2-NZ 2.81Å; E363-K379 PolarHBondContact OE2-NZ 3.44Å; I375-K379 HydrophobicContact CG2-CG 4.41Å; I375-K379 PolarHBondContact O-N 2.81Å; L376-K379 PolarHBondContact O-N 3.31Å; K379-A382 PolarHBondContact O-N 3.49Å; K379-L383 PolarHBondContact O-N 2.96Å
380W97.7Very high96Very high16 Ų1666.8 Ų66.86%0.06137%0.372CS..Hα-helixtrans-62.9-50.3175.7170.7-101.6000112.2A348 F349 F352 L376 G377 R378 A382 L383 Q388 Y391 Y392A348-W380 HydrophobicContact CB-CH2 3.73Å; A348-W380 HydrophobicContact CB-CZ2 4.28Å; F349-W380 HydrophobicContact CB-CD2 4.37Å; F349-W380 HydrophobicContact CD2-CB 3.69Å; F349-W380 AromaticContact CD2-CD2 3.81Å; F349-W380 HydrophobicContact CD2-CD2 3.81Å; F349-W380 HydrophobicContact CD2-CE3 4.26Å; F349-W380 AromaticContact CD2-CG 3.52Å; F349-W380 HydrophobicContact CD2-CG 3.52Å; F349-W380 HydrophobicContact CE2-CB 3.69Å; F349-W380 HydrophobicContact CE2-CG 4.02Å; F349-W380 HydrophobicContact CG-CG 4.47Å; F352-W380 HydrophobicContact CB-CE3 3.63Å; F352-W380 HydrophobicContact CB-CZ3 3.79Å; F352-W380 HydrophobicContact CD1-CB 3.96Å; F352-W380 HydrophobicContact CD1-CD2 4.48Å; F352-W380 AromaticContact CD1-CE3 3.82Å; F352-W380 HydrophobicContact CD1-CE3 3.82Å; F352-W380 HydrophobicContact CD2-CE3 4.01Å; F352-W380 HydrophobicContact CD2-CZ3 4.48Å; F352-W380 HydrophobicContact CE1-CB 3.69Å; F352-W380 HydrophobicContact CE1-CE3 4.46Å; F352-W380 AromaticContact CG-CE3 3.56Å; F352-W380 HydrophobicContact CG-CE3 3.56Å; F352-W380 HydrophobicContact CG-CZ3 4.14Å; F352-W380 HydrophobicContact CZ-CB 4.3Å; L376-W380 WeakPolarHBondContact O-CB 3.41Å; L376-W380 PolarHBondContact O-N 3.12Å; G377-W380 PolarHBondContact O-N 3.31Å; R378-W380 VanDerWaalsContact C-N 3.3Å; R378-W380 PolarHBondContact O-N 2.93Å; W380-A382 PolarHBondContact O-N 3.43Å; W380-L383 HydrophobicContact CE3-CD1 3.93Å; W380-L383 HydrophobicContact CZ3-CD1 4.13Å; W380-L383 WeakPolarHBondContact O-CB 3.32Å; W380-L383 PolarHBondContact O-N 2.59Å; W380-L383 VanDerWaalsContact O-N 3.15Å; W380-Q388 HydrophobicContact CH2-CB 4.06Å; W380-Q388 HydrophobicContact CH2-CG 4.13Å; W380-Q388 HydrophobicContact CZ2-CB 4.37Å; W380-Q388 HydrophobicContact CZ2-CG 4.21Å; W380-Q388 HydrophobicContact CZ3-CG 4.41Å; W380-Q388 PolarHBondContact O-NE2 3.08Å; W380-Y391 AromaticContact CZ3-CD2 3.76Å; W380-Y391 HydrophobicContact CZ3-CD2 3.76Å; W380-Y391 HydrophobicContact CZ3-CG 4.04Å; W380-Y392 HydrophobicContact CH2-CE2 4.18Å; W380-Y392 AromaticContact CZ2-CE2 3.98Å; W380-Y392 HydrophobicContact CZ2-CE2 3.98Å
381H96.7Very high96.2Very high147 Ų14764.6 Ų64.668%0.68135%0.351SS*.Hα-helixtrans-69-20.2178.8-70.5-64.4000113.5G377 R378G377-H381 PolarHBondContact O-CD2 3.04Å; G377-H381 PolarHBondContact O-N 3.17Å; G377-H381 VanDerWaalsContact O-N 3.12Å; R378-H381 PolarHBondContact O-N 2.82Å
382A97.2Very high96.4Very high85 Ų8570.4 Ų70.470%0.70237%0.37SS*.THydrogen-bonded Turntrans-83.2-7.5172.900000114.3R378 K379 W380R378-A382 WeakPolarHBondContact O-CB 3.31Å; R378-A382 PolarHBondContact O-N 3.32Å; K379-A382 PolarHBondContact O-N 3.49Å; W380-A382 PolarHBondContact O-N 3.43Å
383L96.1Very high96.7Very high45 Ų4576.5 Ų76.524%0.23640%0.397CS..SBendtrans-68.6141.1172.1-70.6-174.2000111.1F352 K379 W380 A387 Q388 Y391F352-L383 HydrophobicContact CD2-CD1 3.75Å; F352-L383 HydrophobicContact CE2-CD1 3.59Å; F352-L383 HydrophobicContact CE2-CD2 4.19Å; F352-L383 HydrophobicContact CE2-CG 4.04Å; F352-L383 HydrophobicContact CZ-CD1 4.4Å; K379-L383 PolarHBondContact O-N 2.96Å; W380-L383 HydrophobicContact CE3-CD1 3.93Å; W380-L383 HydrophobicContact CZ3-CD1 4.13Å; W380-L383 WeakPolarHBondContact O-CB 3.32Å; W380-L383 PolarHBondContact O-N 2.59Å; W380-L383 VanDerWaalsContact O-N 3.15Å; L383-A387 HydrophobicContact CB-CB 4.14Å; L383-A387 HydrophobicContact CD1-CB 4.44Å; L383-A387 HydrophobicContact CD2-CB 4.17Å; L383-A387 HydrophobicContact CG-CB 4.5Å; L383-Q388 HydrophobicContact CB-CG 3.63Å; L383-Q388 HydrophobicContact CD1-CG 4.17Å; L383-Q388 PolarHBondContact O-NE2 3.08Å; L383-Y391 HydrophobicContact CD1-CD2 4.17Å; L383-Y391 HydrophobicContact CD1-CE2 3.86Å
384S97.3Very high96.8Very high69 Ų6975.9 Ų75.948%0.48339%0.393SS..  trans-59.5156.816870.90000111.8E386 A387 Q388S384-E386 PolarHBondContact O-N 3.12Å; S384-A387 PolarHBondContact O-N 3.39Å; S384-A387 WeakPolarHBondContact OG-CB 3.43Å; S384-A387 PolarHBondContact OG-N 3.17Å; S384-Q388 WeakPolarHBondContact O-CG 3.45Å; S384-Q388 PolarHBondContact O-N 3.19Å
385S96.4Very high96.9Very high105 Ų10570.7 Ų70.773%0.73437%0.371SS*.Hα-helixtrans-56.3-39.4179-171.80000112.3Q388 A389S385-Q388 PolarHBondContact O-N 2.89Å; S385-A389 WeakPolarHBondContact O-CB 3.48Å; S385-A389 PolarHBondContact O-N 3.11Å
386E97Very high97.1Very high164 Ų16475.4 Ų75.477%0.76639%0.39SS*.Hα-helixtrans-62.8-46174-175.3-177-169.300112.6S384 Q388 A389 K390S384-E386 PolarHBondContact O-N 3.12Å; E386-Q388 VanDerWaalsContact C-N 3.3Å; E386-Q388 PolarHBondContact O-N 3.36Å; E386-A389 WeakPolarHBondContact O-CB 3.31Å; E386-A389 PolarHBondContact O-N 3.47Å; E386-K390 PolarHBondContact O-N 3.21Å
387A96.6Very high97.2Very high33 Ų3379.3 Ų79.327%0.27341%0.409SS..Hα-helixtrans-65.4-33.7177.300000112.1L383 S384 K390 Y391L383-A387 HydrophobicContact CB-CB 4.14Å; L383-A387 HydrophobicContact CD1-CB 4.44Å; L383-A387 HydrophobicContact CD2-CB 4.17Å; L383-A387 HydrophobicContact CG-CB 4.5Å; S384-A387 PolarHBondContact O-N 3.39Å; S384-A387 WeakPolarHBondContact OG-CB 3.43Å; S384-A387 PolarHBondContact OG-N 3.17Å; A387-K390 WeakPolarHBondContact O-CB 3.28Å; A387-Y391 WeakPolarHBondContact O-CD2 3.28Å; A387-Y391 WeakPolarHBondContact O-CE2 3.29Å
388Q97Very high97.1Very high39 Ų3981.2 Ų81.218%0.18241%0.413CS..Hα-helixtrans-69.1-38.4169.6-64.4-177.328.500111.6W380 L383 S384 S385 E386 K390 Y391 Y392W380-Q388 HydrophobicContact CH2-CB 4.06Å; W380-Q388 HydrophobicContact CH2-CG 4.13Å; W380-Q388 HydrophobicContact CZ2-CB 4.37Å; W380-Q388 HydrophobicContact CZ2-CG 4.21Å; W380-Q388 HydrophobicContact CZ3-CG 4.41Å; W380-Q388 PolarHBondContact O-NE2 3.08Å; L383-Q388 HydrophobicContact CB-CG 3.63Å; L383-Q388 HydrophobicContact CD1-CG 4.17Å; L383-Q388 PolarHBondContact O-NE2 3.08Å; S384-Q388 WeakPolarHBondContact O-CG 3.45Å; S384-Q388 PolarHBondContact O-N 3.19Å; S385-Q388 PolarHBondContact O-N 2.89Å; E386-Q388 VanDerWaalsContact C-N 3.3Å; E386-Q388 PolarHBondContact O-N 3.36Å; Q388-K390 VanDerWaalsContact C-N 3.29Å; Q388-K390 PolarHBondContact O-N 1.94Å; Q388-Y391 PolarHBondContact O-N 3.28Å; Q388-Y392 HydrophobicContact CB-CD2 4.22Å; Q388-Y392 HydrophobicContact CB-CE2 4.08Å; Q388-Y392 VanDerWaalsContact O-CD2 3.27Å; Q388-Y392 WeakPolarHBondContact O-CD2 3.34Å; Q388-Y392 PolarHBondContact O-N 3.42Å
389A97.4Very high97.1Very high49 Ų4979.6 Ų79.641%0.40541%0.41SS..Hα-helixtrans-60.7-33-179.800000113.1S385 E386 Y391 Y392 K393S385-A389 WeakPolarHBondContact O-CB 3.48Å; S385-A389 PolarHBondContact O-N 3.11Å; E386-A389 WeakPolarHBondContact O-CB 3.31Å; E386-A389 PolarHBondContact O-N 3.47Å; A389-Y391 VanDerWaalsContact C-N 3.3Å; A389-Y391 PolarHBondContact O-N 2.85Å; A389-Y392 PolarHBondContact O-N 3.31Å; A389-K393 WeakPolarHBondContact O-CB 3.09Å; A389-K393 PolarHBondContact O-N 2.86Å
390K97.3Very high97Very high90 Ų9080.5 Ų80.539%0.39142%0.416SS..Hα-helixtrans-46.6-54.6165.5175-164.1165.6-163.50110.6E355 E386 A387 Q388 K393 L394E355-K390 IonicContact OE1-NZ 3.98Å; E355-K390 PolarHBondContact OE1-NZ 3.18Å; E355-K390 IonicContact OE2-NZ 2.83Å; E355-K390 PolarHBondContact OE2-NZ 3.43Å; E386-K390 PolarHBondContact O-N 3.21Å; A387-K390 WeakPolarHBondContact O-CB 3.28Å; Q388-K390 VanDerWaalsContact C-N 3.29Å; Q388-K390 PolarHBondContact O-N 1.94Å; K390-K393 PolarHBondContact O-N 3.43Å; K390-L394 HydrophobicContact CG-CD1 4.14Å; K390-L394 WeakPolarHBondContact O-CG 3.36Å; K390-L394 PolarHBondContact O-N 3.3Å; K390-L394 VanDerWaalsContact O-N 3.09Å
391Y98.1Very high97Very high13 Ų1382 Ų825%0.05143%0.425CS..Hα-helixtrans-75.2-30.7-175.7-58.8-75000113.1L351 F352 E355 W380 L383 A387 Q388 A389 L394 A395L351-Y391 HydrophobicContact CB-CD1 4.17Å; F352-Y391 HydrophobicContact CB-CD1 4.13Å; F352-Y391 HydrophobicContact CB-CD2 4.37Å; F352-Y391 HydrophobicContact CB-CE1 4.17Å; F352-Y391 HydrophobicContact CB-CE2 4.41Å; F352-Y391 HydrophobicContact CB-CG 4.24Å; F352-Y391 HydrophobicContact CD2-CD2 4.39Å; F352-Y391 HydrophobicContact CD2-CE1 4.49Å; F352-Y391 AromaticContact CD2-CE2 3.78Å; F352-Y391 HydrophobicContact CD2-CE2 3.78Å; F352-Y391 AromaticContact CD2-CZ 3.83Å; E355-Y391 PolarHBondContact OE1-OH 3.1Å; E355-Y391 WeakPolarHBondContact OE2-CE1 3.4Å; E355-Y391 PolarHBondContact OE2-OH 2.92Å; W380-Y391 AromaticContact CZ3-CD2 3.76Å; W380-Y391 HydrophobicContact CZ3-CD2 3.76Å; W380-Y391 HydrophobicContact CZ3-CG 4.04Å; L383-Y391 HydrophobicContact CD1-CD2 4.17Å; L383-Y391 HydrophobicContact CD1-CE2 3.86Å; A387-Y391 WeakPolarHBondContact O-CD2 3.28Å; A387-Y391 WeakPolarHBondContact O-CE2 3.29Å; Q388-Y391 PolarHBondContact O-N 3.28Å; A389-Y391 VanDerWaalsContact C-N 3.3Å; A389-Y391 PolarHBondContact O-N 2.85Å; Y391-L394 HydrophobicContact CD1-CD1 4.47Å; Y391-A395 VanDerWaalsContact O-CB 3.23Å; Y391-A395 WeakPolarHBondContact O-CB 3.4Å; Y391-A395 PolarHBondContact O-N 2.74Å
392Y98.2Very high96.9Very high137 Ų13775.4 Ų75.454%0.53739%0.394SS..Hα-helixtrans-66.5-40.7171.2-77.5-73.3000112.3A348 W380 Q388 A389 A395 K396A348-Y392 HydrophobicContact CB-CD1 3.87Å; A348-Y392 HydrophobicContact CB-CD2 4.4Å; A348-Y392 HydrophobicContact CB-CE1 4.06Å; A348-Y392 HydrophobicContact CB-CG 4.05Å; W380-Y392 HydrophobicContact CH2-CE2 4.18Å; W380-Y392 AromaticContact CZ2-CE2 3.98Å; W380-Y392 HydrophobicContact CZ2-CE2 3.98Å; Q388-Y392 HydrophobicContact CB-CD2 4.22Å; Q388-Y392 HydrophobicContact CB-CE2 4.08Å; Q388-Y392 VanDerWaalsContact O-CD2 3.27Å; Q388-Y392 WeakPolarHBondContact O-CD2 3.34Å; Q388-Y392 PolarHBondContact O-N 3.42Å; A389-Y392 PolarHBondContact O-N 3.31Å; Y392-A395 PolarHBondContact O-N 3.3Å; Y392-K396 PolarHBondContact O-N 3.05Å
393K97.8Very high96.7Very high135 Ų13577.3 Ų77.359%0.58739%0.388SS*.Hα-helixtrans-61.2-48.2173.7-174.3177.5-179.6179.70111.1A389 K390 A395 K396 Q397A389-K393 WeakPolarHBondContact O-CB 3.09Å; A389-K393 PolarHBondContact O-N 2.86Å; K390-K393 PolarHBondContact O-N 3.43Å; K393-A395 PolarHBondContact O-N 2.92Å; K393-K396 PolarHBondContact O-N 2.84Å; K393-Q397 WeakPolarHBondContact O-CG 3.48Å; K393-Q397 PolarHBondContact O-N 3.31Å
394L97.2Very high96.7Very high57 Ų5784.3 Ų84.330%0.29841%0.412SS..Hα-helixtrans-62.2-40.8176.1-68.8167.6000112.3L351 K390 Y391 K396 Q397 E398L351-L394 HydrophobicContact CD1-CB 3.71Å; K390-L394 HydrophobicContact CG-CD1 4.14Å; K390-L394 WeakPolarHBondContact O-CG 3.36Å; K390-L394 PolarHBondContact O-N 3.3Å; K390-L394 VanDerWaalsContact O-N 3.09Å; Y391-L394 HydrophobicContact CD1-CD1 4.47Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.22Å; L394-Q397 PolarHBondContact O-N 2.91Å; L394-E398 WeakPolarHBondContact O-CB 3.07Å; L394-E398 PolarHBondContact O-N 3.03Å
395A97.9Very high96.5Very high16 Ų1684.7 Ų84.713%0.13241%0.408CS..Hα-helixtrans-66.1-33.8177.200000113.1A348 L351 Y391 Y392 K393 K399A348-A395 HydrophobicContact CB-CB 4.19Å; L351-A395 HydrophobicContact CD1-CB 3.98Å; Y391-A395 VanDerWaalsContact O-CB 3.23Å; Y391-A395 WeakPolarHBondContact O-CB 3.4Å; Y391-A395 PolarHBondContact O-N 2.74Å; Y392-A395 PolarHBondContact O-N 3.3Å; K393-A395 PolarHBondContact O-N 2.92Å; A395-K399 WeakPolarHBondContact O-CB 3.26Å; A395-K399 PolarHBondContact O-N 3.46Å
396K97.4Very high96.3Very high134 Ų13480.9 Ų80.958%0.58338%0.377SS*.Hα-helixtrans-65-47171.3179174172.8178.50110.7Y392 K393 L394 K399 E400Y392-K396 PolarHBondContact O-N 3.05Å; K393-K396 PolarHBondContact O-N 2.84Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.22Å; K396-K399 PolarHBondContact O-N 2.89Å; K396-E400 WeakPolarHBondContact CE-OE1 3.3Å; K396-E400 VanDerWaalsContact CG-OE1 3.28Å; K396-E400 WeakPolarHBondContact CG-OE1 3.32Å; K396-E400 IonicContact NZ-OE1 3Å; K396-E400 WeakPolarHBondContact O-CG 3.06Å; K396-E400 PolarHBondContact O-N 2.83Å
397Q97.3Very high96Very high83 Ų8378.4 Ų78.439%0.38838%0.376SS..Hα-helixtrans-61.9-43.1177.1-68.7174.3-5800112.5K393 L394 K399 E400 L401K393-Q397 WeakPolarHBondContact O-CG 3.48Å; K393-Q397 PolarHBondContact O-N 3.31Å; L394-Q397 PolarHBondContact O-N 2.91Å; Q397-K399 PolarHBondContact O-N 3.08Å; Q397-E400 PolarHBondContact O-N 2.99Å; Q397-L401 VanDerWaalsContact O-CB 3.28Å; Q397-L401 WeakPolarHBondContact O-CB 3.38Å; Q397-L401 PolarHBondContact O-N 3.32Å
398E95.7Very high95.5Very high58 Ų5880.1 Ų80.127%0.27140%0.397SS..Hα-helixtrans-62.3-40.9175.8-178.967.3-170.100111.7P345 L346 L394 H402P345-E398 HydrophobicContact CB-CG 3.91Å; L346-E398 HydrophobicContact CB-CG 4.26Å; L394-E398 WeakPolarHBondContact O-CB 3.07Å; L394-E398 PolarHBondContact O-N 3.03Å; E398-H402 WeakPolarHBondContact O-CB 3.1Å; E398-H402 PolarHBondContact O-N 3.5Å
399K95.6Very high95.2Very high131 Ų13181.3 Ų81.357%0.5740%0.4SS*.Hα-helixtrans-63.3-45.6173.9-178.5-169.3171.8-167.60111.9A395 K396 Q397 H402 Q403A395-K399 WeakPolarHBondContact O-CB 3.26Å; A395-K399 PolarHBondContact O-N 3.46Å; K396-K399 PolarHBondContact O-N 2.89Å; Q397-K399 PolarHBondContact O-N 3.08Å; K399-H402 PolarHBondContact O-N 3.17Å; K399-Q403 WeakPolarHBondContact O-CB 3.49Å; K399-Q403 PolarHBondContact O-N 3.48Å
400E96Very high94.8Very high85 Ų8580.9 Ų80.940%0.39739%0.394SS..Hα-helixtrans-67-41.2179.7-73.2168.2-17300112.1K396 Q397 Q403 R404K396-E400 WeakPolarHBondContact CE-OE1 3.3Å; K396-E400 VanDerWaalsContact CG-OE1 3.28Å; K396-E400 WeakPolarHBondContact CG-OE1 3.32Å; K396-E400 IonicContact NZ-OE1 3Å; K396-E400 WeakPolarHBondContact O-CG 3.06Å; K396-E400 PolarHBondContact O-N 2.83Å; Q397-E400 PolarHBondContact O-N 2.99Å; E400-Q403 PolarHBondContact O-N 2.83Å; E400-R404 WeakPolarHBondContact O-CB 2.88Å; E400-R404 PolarHBondContact O-N 3.5Å
401L96.3Very high94.2Very high48 Ų4878.9 Ų78.925%0.25139%0.394SS..Hα-helixtrans-61.6-47.7173.3177.862.1000111F308 Q397 Q403 R404 L405F308-L401 HydrophobicContact CE2-CD2 4.17Å; F308-L401 HydrophobicContact CZ-CD2 4.05Å; Q397-L401 VanDerWaalsContact O-CB 3.28Å; Q397-L401 WeakPolarHBondContact O-CB 3.38Å; Q397-L401 PolarHBondContact O-N 3.32Å; L401-Q403 PolarHBondContact O-N 3.21Å; L401-R404 PolarHBondContact O-N 3.2Å; L401-L405 HydrophobicContact CD1-CD1 4.01Å; L401-L405 HydrophobicContact CD1-CG 4.23Å; L401-L405 HydrophobicContact CG-CD1 4Å; L401-L405 WeakPolarHBondContact O-CG 3.44Å; L401-L405 PolarHBondContact O-N 3.39Å
402H95.5Very high93.6Very high8 Ų887.6 Ų87.64%0.03743%0.427CS..Hα-helixtrans-61.9-42.2177.2-171.6-66.2000112.1I342 K343 P345 E398 K399 R404 L405 Y406 W409I342-H402 WeakPolarHBondContact CG2-NE2 3.36Å; K343-H402 PolarHBondContact O-NE2 3.06Å; P345-H402 HydrophobicContact CB-CB 3.82Å; P345-H402 HydrophobicContact CG-CB 4.17Å; E398-H402 WeakPolarHBondContact O-CB 3.1Å; E398-H402 PolarHBondContact O-N 3.5Å; K399-H402 PolarHBondContact O-N 3.17Å; H402-R404 VanDerWaalsContact C-N 3.3Å; H402-R404 PolarHBondContact O-N 3.35Å; H402-L405 PolarHBondContact O-N 3.31Å; H402-Y406 AromaticContact ND1-CD2 4Å; H402-Y406 PolarHBondContact O-N 3.48Å; H402-W409 WeakPolarHBondContact CE1-CB 3.32Å; H402-W409 AromaticContact CE1-CD1 2.82Å; H402-W409 AromaticContact CE1-CD2 2.65Å; H402-W409 AromaticContact CE1-CE2 3.02Å; H402-W409 AromaticContact CE1-CE3 3.33Å; H402-W409 AromaticContact CE1-CG 2.53Å; H402-W409 AromaticContact CE1-CZ2 3.92Å; H402-W409 AromaticContact CE1-NE1 3.08Å; H402-W409 PolarHBondContact CE1-NE1 3.38Å; H402-W409 AromaticContact NE2-NE1 3.88Å
403Q93.7Very high92.9Very high124 Ų12485.9 Ų85.958%0.57943%0.427SS*.Hα-helixtrans-64.1-34.1175.6-172.9172.91.300112.4K399 E400 L401 Y406 P407K399-Q403 WeakPolarHBondContact O-CB 3.49Å; K399-Q403 PolarHBondContact O-N 3.48Å; E400-Q403 PolarHBondContact O-N 2.83Å; L401-Q403 PolarHBondContact O-N 3.21Å; Q403-Y406 CarbonylContact O-C 3.59Å; Q403-P407 VanDerWaalsContact O-CA 3.28Å; Q403-P407 WeakPolarHBondContact O-CA 3.25Å
404R94.2Very high92.2Very high193 Ų19380.7 Ų80.773%0.72841%0.405SS*.Hα-helixtrans-72.4-39.2174.9-172.4179-64.5131.44.4112.8E400 L401 H402E400-R404 WeakPolarHBondContact O-CB 2.88Å; E400-R404 PolarHBondContact O-N 3.5Å; L401-R404 PolarHBondContact O-N 3.2Å; H402-R404 VanDerWaalsContact C-N 3.3Å; H402-R404 PolarHBondContact O-N 3.35Å
405L93.8Very high91.2Very high77 Ų7781.1 Ų81.140%0.40340%0.404SS..Hα-helixtrans-75.8-33.1178.3-68.2172.9000112.6L401 H402L401-L405 HydrophobicContact CD1-CD1 4.01Å; L401-L405 HydrophobicContact CD1-CG 4.23Å; L401-L405 HydrophobicContact CG-CD1 4Å; L401-L405 WeakPolarHBondContact O-CG 3.44Å; L401-L405 PolarHBondContact O-N 3.39Å; H402-L405 PolarHBondContact O-N 3.31Å
406Y92.4Very high89.8Confident24 Ų2482.8 Ų82.89%0.09442%0.417CS..  trans-131.365.2-175-52.1-74.1000111.6F313 Y338 I342 H402 Q403 G408 W409F313-Y406 VanDerWaalsContact CD1-OH 3.32Å; F313-Y406 WeakPolarHBondContact CD1-OH 3.4Å; F313-Y406 AromaticContact CE1-CE2 3.66Å; F313-Y406 HydrophobicContact CE1-CE2 3.66Å; F313-Y406 AromaticContact CE1-CZ 3.5Å; F313-Y406 WeakPolarHBondContact CE1-OH 3.47Å; F313-Y406 HydrophobicContact CE2-CE2 4Å; F313-Y406 HydrophobicContact CZ-CD2 4.28Å; F313-Y406 AromaticContact CZ-CE2 3.32Å; F313-Y406 HydrophobicContact CZ-CE2 3.32Å; F313-Y406 AromaticContact CZ-CZ 3.71Å; Y338-Y406 AromaticContact CD1-CE1 3.9Å; Y338-Y406 HydrophobicContact CD1-CE1 3.9Å; Y338-Y406 AromaticContact CD2-CD1 3.77Å; Y338-Y406 HydrophobicContact CD2-CD1 3.77Å; Y338-Y406 AromaticContact CD2-CE1 3.92Å; Y338-Y406 HydrophobicContact CD2-CE1 3.92Å; Y338-Y406 HydrophobicContact CE1-CD1 4.4Å; Y338-Y406 AromaticContact CE1-CE1 3.7Å; Y338-Y406 HydrophobicContact CE1-CE1 3.7Å; Y338-Y406 AromaticContact CE2-CD1 3.56Å; Y338-Y406 HydrophobicContact CE2-CD1 3.56Å; Y338-Y406 AromaticContact CE2-CE1 3.72Å; Y338-Y406 HydrophobicContact CE2-CE1 3.72Å; Y338-Y406 HydrophobicContact CG-CD1 4.29Å; Y338-Y406 HydrophobicContact CG-CE1 4.01Å; Y338-Y406 AromaticContact CZ-CD1 3.91Å; Y338-Y406 AromaticContact CZ-CE1 3.61Å; I342-Y406 HydrophobicContact CD1-CD1 3.45Å; I342-Y406 VanDerWaalsContact CD1-CD1 3.45Å; I342-Y406 HydrophobicContact CD1-CE1 3.96Å; I342-Y406 HydrophobicContact CD1-CG 4.02Å; I342-Y406 HydrophobicContact CG1-CD1 4.02Å; I342-Y406 HydrophobicContact CG1-CE1 4.07Å; I342-Y406 HydrophobicContact CG2-CD1 4.2Å; I342-Y406 HydrophobicContact CG2-CD2 3.86Å; I342-Y406 HydrophobicContact CG2-CE1 4.4Å; I342-Y406 HydrophobicContact CG2-CE2 4.1Å; I342-Y406 HydrophobicContact CG2-CG 3.94Å; H402-Y406 AromaticContact ND1-CD2 4Å; H402-Y406 PolarHBondContact O-N 3.48Å; Q403-Y406 CarbonylContact O-C 3.59Å; Y406-G408 PolarHBondContact O-N 2.84Å; Y406-G408 VanDerWaalsContact O-N 3.11Å; Y406-W409 VanDerWaalsContact O-CB 3.26Å; Y406-W409 WeakPolarHBondContact O-CB 3.36Å; Y406-W409 PolarHBondContact O-N 3.36Å
407P89.8Confident88.1Confident112 Ų11279.8 Ų79.873%0.72741%0.41SS*.THydrogen-bonded Turntrans-63.1-22.1-173.824.8-35.2000114.3Q403Q403-P407 VanDerWaalsContact O-CA 3.28Å; Q403-P407 WeakPolarHBondContact O-CA 3.25Å
408G87.1Confident86.4Confident70 Ų7079.1 Ų79.172%0.72241%0.407SS*.THydrogen-bonded Turntrans-93.27.1172.600000115Y406Y406-G408 PolarHBondContact O-N 2.84Å; Y406-G408 VanDerWaalsContact O-N 3.11Å
409W90.2Very high84.6Confident64 Ų6481.3 Ų81.324%0.24242%0.424CS..  trans-78.3136-178.4-179.7101.3000112I342 K344 H402 Y406 A411 N414 Y415I342-W409 PolarHBondContact O-NE1 3.13Å; I342-W409 VanDerWaalsContact O-NE1 3.08Å; K344-W409 HydrophobicContact CB-CH2 4.28Å; K344-W409 HydrophobicContact CB-CZ2 4.2Å; K344-W409 HydrophobicContact CG-CH2 3.81Å; K344-W409 HydrophobicContact CG-CZ2 3.71Å; H402-W409 WeakPolarHBondContact CE1-CB 3.32Å; H402-W409 AromaticContact CE1-CD1 2.82Å; H402-W409 AromaticContact CE1-CD2 2.65Å; H402-W409 AromaticContact CE1-CE2 3.02Å; H402-W409 AromaticContact CE1-CE3 3.33Å; H402-W409 AromaticContact CE1-CG 2.53Å; H402-W409 AromaticContact CE1-CZ2 3.92Å; H402-W409 AromaticContact CE1-NE1 3.08Å; H402-W409 PolarHBondContact CE1-NE1 3.38Å; H402-W409 AromaticContact NE2-NE1 3.88Å; Y406-W409 VanDerWaalsContact O-CB 3.26Å; Y406-W409 WeakPolarHBondContact O-CB 3.36Å; Y406-W409 PolarHBondContact O-N 3.36Å; W409-A411 HydrophobicContact CH2-CB 3.76Å; W409-A411 HydrophobicContact CZ2-CB 4.49Å; W409-A411 HydrophobicContact CZ3-CB 4.01Å; W409-N414 PolarHBondContact NE1-ND2 2.91Å; W409-Y415 HydrophobicContact CZ2-CE2 4.14Å
410S88.3Confident82.9Confident40 Ų4083 Ų8328%0.2843%0.432SS..  trans-132.1132177.3156.80000109.8R412 D413 N414S410-R412 PolarHBondContact O-N 3.03Å; S410-R412 VanDerWaalsContact O-N 3.17Å; S410-R412 WeakPolarHBondContact OG-CB 3.39Å; S410-R412 PolarHBondContact OG-N 3.47Å; S410-D413 WeakPolarHBondContact CB-OD2 3.11Å; S410-D413 PolarHBondContact O-N 3.1Å; S410-D413 PolarHBondContact OG-N 3.45Å; S410-D413 PolarHBondContact OG-OD2 3.45Å; S410-N414 VanDerWaalsContact O-CB 3.3Å; S410-N414 WeakPolarHBondContact O-CB 3.28Å; S410-N414 PolarHBondContact O-N 3.04Å; S410-N414 VanDerWaalsContact O-N 3.12Å
411A85.9Confident81.1Confident48 Ų4886.2 Ų86.240%0.39744%0.44SS..Hα-helixtrans-60.5-22175.400000113.1W409 Y415W409-A411 HydrophobicContact CH2-CB 3.76Å; W409-A411 HydrophobicContact CZ2-CB 4.49Å; W409-A411 HydrophobicContact CZ3-CB 4.01Å; A411-Y415 WeakPolarHBondContact O-CD2 3.42Å
412R85Confident79.4Confident196 Ų19693.6 Ų93.674%0.7446%0.464SS*.Hα-helixtrans-76.3-57.8174.9-178.4-178.4-176174.5-0.6110.1S410 N414 Y415 A416S410-R412 PolarHBondContact O-N 3.03Å; S410-R412 VanDerWaalsContact O-N 3.17Å; S410-R412 WeakPolarHBondContact OG-CB 3.39Å; S410-R412 PolarHBondContact OG-N 3.47Å; R412-N414 PolarHBondContact O-N 3.41Å; R412-Y415 PolarHBondContact O-N 3.13Å; R412-A416 WeakPolarHBondContact O-CB 3.32Å; R412-A416 PolarHBondContact O-N 3.13Å
413D82.8Confident77.5Confident100 Ų10096.8 Ų96.854%0.53549%0.488SS..Hα-helixtrans-73.6-34.1-166.6-55.2-68.5000112.3S410 Y415S410-D413 WeakPolarHBondContact CB-OD2 3.11Å; S410-D413 PolarHBondContact O-N 3.1Å; S410-D413 PolarHBondContact OG-N 3.45Å; S410-D413 PolarHBondContact OG-OD2 3.45Å; D413-Y415 PolarHBondContact O-N 3.46Å
414N83.3Confident75.7Confident26 Ų26100.8 Ų100.814%0.13950%0.497CS..Hα-helixtrans-64.8-38.5174.7-173.8-80.2000112.6H341 I342 W409 S410 R412 T417H341-N414 PolarHBondContact CD2-OD1 3.43Å; I342-N414 PolarHBondContact N-ND2 3.42Å; I342-N414 VanDerWaalsContact O-CG 3.29Å; I342-N414 PolarHBondContact O-ND2 3.5Å; I342-N414 PolarHBondContact O-OD1 3.31Å; W409-N414 PolarHBondContact NE1-ND2 2.91Å; S410-N414 VanDerWaalsContact O-CB 3.3Å; S410-N414 WeakPolarHBondContact O-CB 3.28Å; S410-N414 PolarHBondContact O-N 3.04Å; S410-N414 VanDerWaalsContact O-N 3.12Å; R412-N414 PolarHBondContact O-N 3.41Å; N414-T417 PolarHBondContact O-OG1 3.41Å
415Y76.6Confident74Confident67 Ų6797.3 Ų97.326%0.26350%0.498SS..Hα-helixtrans-99.2-31.8-172.7-72.6-93.7000114.5H341 K344 W409 A411 R412 D413 T417 Q418H341-Y415 AromaticContact CE1-CZ 3.93Å; H341-Y415 PolarHBondContact CE1-OH 3.13Å; H341-Y415 AromaticContact NE2-CE1 3.49Å; H341-Y415 WeakPolarHBondContact NE2-CE1 3.16Å; H341-Y415 AromaticContact NE2-CZ 3.51Å; K344-Y415 HydrophobicContact CD-CE2 4.07Å; K344-Y415 VanDerWaalsContact CE-CE2 3.46Å; K344-Y415 HydrophobicContact CG-CE2 3.58Å; K344-Y415 WeakPolarHBondContact CG-OH 3.49Å; K344-Y415 PolarHBondContact N-OH 3.26Å; K344-Y415 VanDerWaalsContact NZ-CD2 3.35Å; W409-Y415 HydrophobicContact CZ2-CE2 4.14Å; A411-Y415 WeakPolarHBondContact O-CD2 3.42Å; R412-Y415 PolarHBondContact O-N 3.13Å; D413-Y415 PolarHBondContact O-N 3.46Å; Y415-T417 PolarHBondContact O-N 3.41Å; Y415-Q418 PolarHBondContact O-N 3.03Å
416A68.4Low72.3Confident50 Ų5099 Ų9941%0.41351%0.512SS..Hα-helixtrans-62.7-27.9-177.400000113.2R412 Q418 V419R412-A416 WeakPolarHBondContact O-CB 3.32Å; R412-A416 PolarHBondContact O-N 3.13Å; A416-Q418 PolarHBondContact O-N 2.73Å; A416-V419 PolarHBondContact O-N 3.38Å
417T62.1Low70.5Confident71 Ų71103.4 Ų103.444%0.43654%0.541SS..Hα-helixtrans-60.6-31174.760.80000112.8N414 Y415N414-T417 PolarHBondContact O-OG1 3.41Å; Y415-T417 PolarHBondContact O-N 3.41Å
418Q60.8Low68.8Low69 Ų69107.4 Ų107.432%0.32255%0.547SS..Hα-helixtrans-82.8-29.4-176.2-53.6-64.13200112.9Y415 A416 K420 R421 R422Y415-Q418 PolarHBondContact O-N 3.03Å; A416-Q418 PolarHBondContact O-N 2.73Å; Q418-K420 PolarHBondContact O-N 2.8Å; Q418-R421 PolarHBondContact O-N 3.38Å; Q418-R421 VanDerWaalsContact O-N 3.13Å; Q418-R422 PolarHBondContact O-N 2.72Å
419V59.4Low67.4Low104 Ų104111.3 Ų111.363%0.6355%0.55SS*.Hα-helixtrans-61.1-46.2175.6-175.70000110.4A416 R421 R422 S423A416-V419 PolarHBondContact O-N 3.38Å; V419-R421 PolarHBondContact O-N 3.26Å; V419-R422 PolarHBondContact O-N 3Å; V419-S423 PolarHBondContact O-N 2.79Å; V419-S423 VanDerWaalsContact O-N 3.13Å
420K59Low65.3Low167 Ų167115 Ų11573%0.72658%0.575SS**Hα-helixtrans-65.7-18.9175.7-80-172.8174.3-177.50114.4Q418Q418-K420 PolarHBondContact O-N 2.8Å
421R59.3Low63.2Low152 Ų152124.3 Ų124.357%0.57460%0.603SS**Hα-helixtrans-82.6-51172.8-70.9-172.5178.8107.7-1.8111.6Q418 V419 S423 R424Q418-R421 PolarHBondContact O-N 3.38Å; Q418-R421 VanDerWaalsContact O-N 3.13Å; V419-R421 PolarHBondContact O-N 3.26Å; R421-S423 VanDerWaalsContact C-N 3.31Å; R421-S423 PolarHBondContact O-N 3.44Å; R421-R424 PolarHBondContact O-N 3.37Å
422R60Low61.6Low203 Ų203127.7 Ų127.777%0.76662%0.619SS**Hα-helixtrans-60.9-37.2-179.1-68-175.5178.7-166.7-2112.9Q418 V419 R424 T425Q418-R422 PolarHBondContact O-N 2.72Å; V419-R422 PolarHBondContact O-N 3Å; R422-R424 PolarHBondContact O-N 3.19Å; R422-T425 PolarHBondContact O-N 3.22Å
423S56.4Low60Low75 Ų75123.8 Ų123.852%0.52462%0.618SS.*THydrogen-bonded Turntrans-62.6-10.5177.9-173.20000115.2V419 R421 T427V419-S423 PolarHBondContact O-N 2.79Å; V419-S423 VanDerWaalsContact O-N 3.13Å; R421-S423 VanDerWaalsContact C-N 3.31Å; R421-S423 PolarHBondContact O-N 3.44Å; S423-T427 PolarHBondContact O-OG1 3Å
424R55.4Low58.4Low208 Ų208125.9 Ų125.979%0.78563%0.627SS**THydrogen-bonded Turntrans-88.6-19.1180-67.4179.1178.9178.5-2.9113.8R421 R422R421-R424 PolarHBondContact O-N 3.37Å; R422-R424 PolarHBondContact O-N 3.19Å
425T57.9Low56.6Low121 Ų121130.2 Ų130.274%0.74266%0.655SS**THydrogen-bonded Turntrans-93.4-25.3-173.1-36.70000112.7R422R422-T425 PolarHBondContact O-N 3.22Å
426T58.1Low55.2Low112 Ų112132.7 Ų132.769%0.68768%0.677SS**SBendtrans-88.6-20.2-173.3-480000113.7K428T426-K428 VanDerWaalsContact C-N 3.28Å; T426-K428 PolarHBondContact O-N 2.91Å; T426-K428 VanDerWaalsContact O-N 3.16Å
427T54Low54.5Low117 Ų117135.5 Ų135.572%0.71869%0.689SS**THydrogen-bonded Turntrans-89.231.7-170.4-32.80000114.2S423S423-T427 PolarHBondContact O-OG1 3Å
428K55.8Low53.8Low196 Ų196138.4 Ų138.485%0.85271%0.707SS**THydrogen-bonded Turntrans-126.19.1178.9-109.5-169176.8-168.10115.3T426T426-K428 VanDerWaalsContact C-N 3.28Å; T426-K428 PolarHBondContact O-N 2.91Å; T426-K428 VanDerWaalsContact O-N 3.16Å
429I56.1Low53.4Low151 Ų151140.6 Ų140.677%0.77473%0.725SS**SBendtrans-105.299.7174-57.6178000108.9R431I429-R431 PolarHBondContact O-N 3.29Å
430N47Very low52.8Low143 Ų143141.5 Ų141.577%0.76573%0.731SS**  trans27.481.2154.5-57.2-6.3000117.6
431R43.6Very low52.4Low234 Ų234139.6 Ų139.688%0.88373%0.733SS**  trans-96.568.4152.5-171.7179.9-72.9173-4.4109.6I429 T433I429-R431 PolarHBondContact O-N 3.29Å; R431-T433 PolarHBondContact O-N 3.16Å
432T52.7Low51.7Low119 Ų119138.4 Ų138.473%0.7374%0.743SS**  trans-71.2109.2168.7-5.10000108.1I434T432-I434 PolarHBondContact O-N 3.16Å; T432-I434 VanDerWaalsContact O-N 3.09Å
433T50.4Low50.7Low115 Ų115132.7 Ų132.771%0.70673%0.732SS**  trans-74.497.4179.946.90000110.4R431 T435R431-T433 PolarHBondContact O-N 3.16Å; T433-T435 PolarHBondContact O-N 3.18Å
434I51.2Low50.2Low143 Ų143135.3 Ų135.373%0.73375%0.745SS**  trans-79.1102.5166.1-60.6179.4000107.5T432 T436T432-I434 PolarHBondContact O-N 3.16Å; T432-I434 VanDerWaalsContact O-N 3.09Å; I434-T436 VanDerWaalsContact C-N 3.33Å; I434-T436 HydrophobicContact CG2-CG2 4.22Å; I434-T436 PolarHBondContact O-N 3.34Å; I434-T436 VanDerWaalsContact O-N 3.1Å
435T43.6Very low49.6Very low118 Ų118128.4 Ų128.472%0.72473%0.727SS**  trans-80.380.3173.8-54.90000109.3T433 T437T433-T435 PolarHBondContact O-N 3.18Å; T435-T437 PolarHBondContact O-N 3.05Å; T435-T437 VanDerWaalsContact O-N 3.17Å
436T48.2Very low49Very low118 Ų118128.7 Ų128.772%0.72473%0.729SS**  trans-77.896.6174.88.70000110.4I434 T438I434-T436 VanDerWaalsContact C-N 3.33Å; I434-T436 HydrophobicContact CG2-CG2 4.22Å; I434-T436 PolarHBondContact O-N 3.34Å; I434-T436 VanDerWaalsContact O-N 3.1Å; T436-T438 PolarHBondContact O-N 3.3Å
437T53.8Low48.5Very low110 Ų110129.3 Ų129.368%0.67573%0.732SS**  trans-67.8112.8170.646.30000110.5T435 T439T435-T437 PolarHBondContact O-N 3.05Å; T435-T437 VanDerWaalsContact O-N 3.17Å; T437-T439 VanDerWaalsContact C-N 3.34Å; T437-T439 PolarHBondContact O-N 3.17Å
438T46.9Very low48Very low131 Ų131126.9 Ų126.980%0.80472%0.717SS**  trans-76.376.2-176.5-39.40000112.4T436 V440T436-T438 PolarHBondContact O-N 3.3Å; T438-V440 HydrophobicContact CG2-CG2 4.36Å; T438-V440 PolarHBondContact O-N 3.1Å
439T53Low47.5Very low115 Ų115124.3 Ų124.371%0.70672%0.718SS**  trans-71.4107.2167.146.20000109.5T437 T441T437-T439 VanDerWaalsContact C-N 3.34Å; T437-T439 PolarHBondContact O-N 3.17Å; T439-T441 PolarHBondContact O-N 3.28Å
440V46.5Very low46.7Very low124 Ų124123.6 Ų123.675%0.75272%0.716SS**  trans-79.599.9-176-175.90000110.5T438T438-V440 HydrophobicContact CG2-CG2 4.36Å; T438-V440 PolarHBondContact O-N 3.1Å
441T51.4Low46.6Very low126 Ų126121.5 Ų121.577%0.77371%0.71SS**  trans-125.4110.3166.752.60000109.2T439T439-T441 PolarHBondContact O-N 3.28Å
442T44.7Very low46.2Very low127 Ų127116.5 Ų116.578%0.77971%0.706SS**  trans-68139.2-177.743.50000112.1
443P39Very low45.4Very low84 Ų84118.1 Ų118.155%0.54571%0.708SS.*  trans-83.2154.2-174.933.9-36.1000113.3Y61Y61-P443 HydrophobicContact CE1-CG 3.97Å; Y61-P443 WeakPolarHBondContact OH-CG 3.32Å
444T45.3Very low44.5Very low130 Ų130120 Ų12080%0.79871%0.713SS**  trans-139125.5159.4-540000107.3
445P41.6Very low43.6Very low62 Ų62116.8 Ų116.840%0.40372%0.715SS.*  trans-93.2134.2-165.334.6-35.2000113.6T60 Y61T60-P445 HydrophobicContact CG2-CG 4.31Å; Y61-P445 HydrophobicContact CD2-CB 4.14Å; Y61-P445 HydrophobicContact CD2-CG 3.72Å; Y61-P445 HydrophobicContact CE2-CB 3.89Å; Y61-P445 HydrophobicContact CE2-CG 3.92Å
446T46.6Very low43Very low127 Ų127117.6 Ų117.678%0.77971%0.714SS**  trans-139.2102.8169.2-44.30000112.1
447V47.2Very low42.3Very low125 Ų125117.3 Ų117.376%0.75871%0.709SS**  trans37.598.2144.8-167.20000119.2
448V42.7Very low41.2Very low66 Ų66118.1 Ų118.140%0.471%0.709SS.*  trans9.2124130.1-177.70000118.6C58C58-V448 HydrophobicContact CB-CG2 3.87Å
449T46.2Very low40.7Very low143 Ų143118.5 Ų118.588%0.87771%0.706SS**  -160.5141.1123.720.80000113.9
450D40Very low39.9Very low136 Ų136119 Ų11973%0.72770%0.704SS**  trans-76.3-179.8172.2-79.3-59000113.7
451P43.8Very low39.5Very low99 Ų99118.9 Ų118.964%0.64370%0.699SS**  cis-140.3-176.9-39.839.1-22.1000114.1
452T36Very low38.9Very low129 Ų129118.1 Ų118.179%0.79169%0.691SS**  trans8.1117.2152.158.50000120.8
453I34.6Very low38.7Very low152 Ų152117.9 Ų117.978%0.77969%0.685SS**  trans-136.2120.6147.3-73.4-168.8000111.2
454I31.6Very low38.8Very low156 Ų156119.5 Ų119.580%0.869%0.689SS**  trans26.2128.3138.6-44.9172000118.5
455G32.7Very low38.4Very low75 Ų75118.6 Ų118.677%0.77368%0.679SS**  trans-170.942.6175.200000120.5
456N31.3Very low38.1Very low134 Ų134121.8 Ų121.872%0.71769%0.692SS**  trans31.6138.1148.1-89.84.9000123.8
457N32.3Very low37.5Very low113 Ų113124 Ų12460%0.60469%0.694SS**  trans76.5106.5134.6-64.9-11.8000121.6
458N32.1Very low36.7Very low127 Ų127122 Ų12268%0.67969%0.685SS**  67.9163.4114.4-55.3-16.6000120.4
459N36.8Very low36.2Very low139 Ų139124.4 Ų124.474%0.74370%0.696SS**  trans72.6138.3162.2-61.3-19.7000116.5
460N35.7Very low35.4Very low124 Ų124127.9 Ų127.966%0.66369%0.694SS**  cis-169.8170-26.2-124.6-11.7000107.9
461N38.3Very low35Very low122 Ų122129.8 Ų129.865%0.65270%0.699SS**  trans67.8148.9155.8-61.6-10.6000116.6
462N39.4Very low34.4Very low111 Ų111134.3 Ų134.359%0.59471%0.708SS**  cis-162.8153.7-15.3-113-13.4000109.8
463N40.5Very low34.2Very low122 Ų122134.5 Ų134.565%0.65271%0.71SS**  trans65.6145.2144.7-61-5000118.2
464N39.7Very low33.9Very low117 Ų117138 Ų13863%0.62671%0.714SS**  cis-158.1160.2-5.3-119.7-9.2000113
465N37.9Very low34Very low111 Ų111138.7 Ų138.759%0.59471%0.714SS**  trans64.595.3145.4-62.6-15.7000121.1
466N34.1Very low33.8Very low129 Ų129140.6 Ų140.669%0.6972%0.716SS**  78.5141.8108.1-59.6-16.3000122.5
467H34.7Very low33.9Very low175 Ų175145 Ų14581%0.8172%0.723SS**  trans67.9140.2155.3-74.6-67.7000119.6
468S30.6Very low34Very low81 Ų81148.7 Ų148.757%0.56673%0.733SS**  cis-175.9168.2-34.940.90000109.3
469N32.2Very low33.9Very low117 Ų117150 Ų15063%0.62674%0.739SS**  trans65.383.3156.9-59.9-2000117.2E471N469-E471 PolarHBondContact O-N 3.09Å
470Y28.7Very low33.7Very low216 Ų216148.9 Ų148.985%0.84774%0.739SS**  -40.5122.112526.9-94.7000111.6
471E31.3Very low33.4Very low176 Ų176147.2 Ų147.282%0.82274%0.737SS**  trans-152.3158.5153.3-145.7168.6-152.800112.2N469N469-E471 PolarHBondContact O-N 3.09Å
472K31.9Very low33.1Very low194 Ų194146.3 Ų146.384%0.84374%0.741SS**  trans-112.5130.5177.7-58166.5-1761660108.9
473T32.4Very low32.9Very low134 Ų134149.5 Ų149.582%0.82275%0.75SS**  trans-162.2147.71471.20000112.4
474Y28.2Very low32.8Very low224 Ų224148.5 Ų148.588%0.87875%0.748SS**  trans-84127164.6-77-101.2000109.1
475H33.9Very low32.6Very low171 Ų171149.5 Ų149.579%0.79275%0.753SS**  trans-146124.5158.3-106.519.7000112.7
476S28Very low32.5Very low116 Ų116148.9 Ų148.981%0.81176%0.757SS**  trans-73.3131.9172.7-51.10000110.8
477R32.7Very low32.7Very low227 Ų227150.1 Ų150.186%0.85776%0.759SS**  trans-157.9157.5145.5-114.3171.3-69.7-132.54.4110.3
478K34.4Very low32.7Very low190 Ų190147.2 Ų147.283%0.82675%0.749SS**  trans-104.6145.2-169.2-56.2173.9178.4178.20111.1
479L30.6Very low33.1Very low155 Ų155154 Ų15481%0.81276%0.762SS**  trans66.6164.8148-76.8163.1000115.9
480P33.4Very low33.2Very low114 Ų114152.9 Ų152.974%0.7476%0.763SS**  cis-138.1157.824.144.2-26.5000120.1
481S28.8Very low33.4Very low89 Ų89147 Ų14762%0.62275%0.754SS**  trans40.8140.7140.166.80000125.2
482S32.2Very low33.6Very low103 Ų103144.4 Ų144.472%0.7275%0.75SS**  trans69.8150.9150.270.40000118.1
483F35Very low33.5Very low179 Ų179141 Ų14179%0.78574%0.741SS**  cis-135.9148.218.9-119.6-101.2000111.8
484T37.6Very low33.6Very low101 Ų101142.2 Ų142.262%0.6274%0.737SS**  trans39.9151.9142.555.70000123
485D36.1Very low33.9Very low138 Ų138135.5 Ų135.574%0.73872%0.722SS**  cis-162.21745.6-120.3-27.2000113.8
486S35.4Very low33.7Very low97 Ų97133.9 Ų133.968%0.67872%0.72SS**  trans67.2143.8153.4-68.70000121.5
487E37.5Very low34Very low155 Ų155135.2 Ų135.272%0.72472%0.718SS**  cis-169.7163-22-147.8177.5-160.900111.7
488L36.1Very low33.8Very low114 Ų114131.3 Ų131.360%0.59771%0.713SS**  trans63.4140.4164.9-44.8168.8000117.3
489W37.9Very low33.6Very low223 Ų223130.2 Ų130.285%0.84571%0.709SS**  cis-167.2164-15.2-102.3-24.5000105.6
490C35Very low33.5Very low95 Ų95130.7 Ų130.764%0.64271%0.706SS**  cis-144.2168.12.4-111.10000107.4
491S32.1Very low33.3Very low93 Ų93130.7 Ų130.765%0.6570%0.704SS**  68.5126.955.9-35.80000113.5
492T35.6Very low33.3Very low121 Ų121132.4 Ų132.474%0.74271%0.711SS**  cis-135135.125.946.40000113.1
493N31.2Very low33.1Very low122 Ų122134.2 Ų134.265%0.65271%0.713SS**  68144.291.4-50.10.2000114.5
494H34.7Very low32.8Very low159 Ų159132.8 Ų132.874%0.73671%0.714SS**  cis-15414129.7-119.6-68.4000113.8
495S33.7Very low32.9Very low83 Ų83135.4 Ų135.458%0.5872%0.724SS**  trans34155.4139.354.30000124.1
496N30.2Very low32.9Very low137 Ų137133.4 Ų133.473%0.73372%0.718SS**  cis-173.7169.2-13.2-97.4-13.8000109.5
497N33.8Very low32.7Very low144 Ų144138.9 Ų138.977%0.7773%0.725SS**  trans69.4135.5167.3-50.8-29000115.7
498L28Very low32.3Very low145 Ų145136.1 Ų136.176%0.75972%0.724SS**  cis85.2140.226.9-162.167.5000114.7
499F30.6Very low32.1Very low168 Ų168138.9 Ų138.974%0.73773%0.731SS**  trans91.2104.2-179.4-67.6-81.8000118.5
500H29.5Very low31.7Very low164 Ų164137.6 Ų137.676%0.75973%0.731SS**  52.3148.8121.3-89.8-93.3000123.6
501T27.8Very low31.4Very low114 Ų114138.4 Ų138.470%0.69973%0.728SS**  trans77.2124.4151.140.10000121.5
502T29.1Very low31.2Very low126 Ų126140.6 Ų140.677%0.77373%0.728SS**  trans67.2125.4141.952.60000121.9
503N27.7Very low31Very low140 Ų140140.3 Ų140.375%0.74973%0.728SS**  trans-15.4138.1151.1-44.2-6.9000116.8
504N30.2Very low30.7Very low150 Ų150141.9 Ų141.980%0.80273%0.729SS**  176.3127.6102.6-85.4-28.3000111.9
505D38.9Very low30.6Very low155 Ų155139.3 Ų139.383%0.82973%0.725SS**  trans-63.4156.3148-62.3-61.8000108.8
506P36Very low30.3Very low96 Ų96142 Ų14262%0.62373%0.733SS**  -160.8175.610139.4-19.1000118.2
507Y31Very low30.2Very low212 Ų212140.7 Ų140.783%0.83173%0.734SS**  trans66.6124.4162.6-57.8-60.5000118.5
508S30.3Very low30.1Very low98 Ų98140 Ų14069%0.68573%0.73SS**  cis79.8131.610.1-153.60000118.5
509K30.7Very low30.3Very low172 Ų172139 Ų13975%0.74872%0.724SS**  trans68.5114.1168.7-66.5177179.1177.60120
510F30.1Very low30.3Very low195 Ų195137.1 Ų137.186%0.85572%0.722SS**  -169.8106.6115.6-111-83.7000105.5
511I27.7Very low30.5Very low113 Ų113134.5 Ų134.558%0.57971%0.71SS**  67.6106.466.7-60-177000113.2
512Q27.7Very low30.4Very low139 Ų139133.6 Ų133.665%0.6571%0.708SS**  trans69.1157166.3-73.8173-16.300115.6F514Q512-F514 HydrophobicContact CB-CD2 4.43Å; Q512-F514 VanDerWaalsContact CD-CD2 3.45Å; Q512-F514 HydrophobicContact CG-CD2 4.14Å
513P32Very low30.5Very low114 Ų114135.2 Ų135.274%0.7471%0.705SS**  cis-84.7166.133.440.3-41.7000113.5
514F25.8Very low30.4Very low155 Ų155135 Ų13568%0.6870%0.703SS**  cis68.9162.828.2-96.5-66.6000115.8Q512Q512-F514 HydrophobicContact CB-CD2 4.43Å; Q512-F514 VanDerWaalsContact CD-CD2 3.45Å; Q512-F514 HydrophobicContact CG-CD2 4.14Å
515T32Very low30.3Very low105 Ų105133.7 Ų133.764%0.64470%0.701SS**  trans47.995.6173.854.60000115.9
516D27.1Very low29.7Very low141 Ų141133.4 Ų133.475%0.75470%0.699SS**  83.9148.974-76-46.4000112.3
517C27.8Very low29.4Very low109 Ų109139.7 Ų139.774%0.73671%0.712SS**  trans65.4143.4-179.4-59.50000114.1
518N32Very low29.3Very low130 Ų130135.7 Ų135.770%0.69570%0.701SS**  cis-174.4156.8-7.9-107.8-6.6000105.6
519L31.6Very low29.3Very low123 Ų123141.1 Ų141.164%0.64471%0.708SS**  cis-167.3145.9-2.8-173.269.7000107.3
520L31.7Very low29.2Very low129 Ų129140.5 Ų140.568%0.67571%0.708SS**  trans59.2147.5154.1-91.844.7000119.7
521Q34.1Very low29.2Very low109 Ų109140.2 Ų140.251%0.50970%0.702SS.*  cis-149.8132.6-16-160.758.2-24.300113.3F523Q521-F523 HydrophobicContact CG-CD2 3.47Å; Q521-F523 VanDerWaalsContact CG-CD2 3.47Å; Q521-F523 HydrophobicContact CG-CE2 3.5Å; Q521-F523 VanDerWaalsContact CG-CE2 3.5Å; Q521-F523 HydrophobicContact CG-CG 4.12Å; Q521-F523 HydrophobicContact CG-CZ 4.15Å
522S25.7Very low29.3Very low95 Ų95140.2 Ų140.266%0.66470%0.702SS**  trans-81.3110156.153.60000109.9
523F29.7Very low29.4Very low160 Ų160142.2 Ų142.270%0.70271%0.709SS**  trans-135119.6147.9-68.7-52.6000107.4Q521Q521-F523 HydrophobicContact CG-CD2 3.47Å; Q521-F523 VanDerWaalsContact CG-CD2 3.47Å; Q521-F523 HydrophobicContact CG-CE2 3.5Å; Q521-F523 VanDerWaalsContact CG-CE2 3.5Å; Q521-F523 HydrophobicContact CG-CG 4.12Å; Q521-F523 HydrophobicContact CG-CZ 4.15Å
524N26.4Very low29.4Very low134 Ų134141.6 Ų141.672%0.71771%0.707SS**  76.5150.857.5-87.4-19.1000114.3
525T28.7Very low29.6Very low124 Ų124140.6 Ų140.676%0.76171%0.709SS**  trans64.6124.7158.441.30000117.8Y527T525-Y527 PolarHBondContact O-N 3.27Å
526N26.6Very low29.7Very low148 Ų148143 Ų14379%0.79171%0.713SS**  trans-37.5132.3147.1-42.6-30.2000110.3
527Y29.5Very low29.9Very low229 Ų229142.4 Ų142.490%0.89871%0.709SS**  -164.5159124.4-97.1-63.1000109.3T525T525-Y527 PolarHBondContact O-N 3.27Å
528E27.5Very low30.1Very low128 Ų128143.7 Ų143.760%0.59872%0.718SS**  trans-72.5143.3175.5-66.7155.9159.100109.6K286K286-E528 IonicContact NZ-OE1 2.67Å; K286-E528 PolarHBondContact NZ-OE1 3.36Å
529Y30.9Very low30Very low212 Ų212144.9 Ų144.983%0.83172%0.719SS**  -179158.1104.4-107.5-88000111.9
530E29.6Very low29.9Very low159 Ų159144.2 Ų144.274%0.74372%0.724SS**  trans-67.6164170.1-50.1-178.5107.900110.9
531Y29.5Very low29.8Very low188 Ų188143.6 Ų143.674%0.73773%0.727SS**  -176.2137.474-148.9-130.5000112.8
532I29.6Very low29.7Very low113 Ų113146.4 Ų146.458%0.57975%0.745SS**  trans59.2103.3141.4-71.6-159.8000121.8
533K29.9Very low30Very low182 Ų182146.4 Ų146.479%0.79174%0.742SS**  83.5161.3108.6-158175.3-178.4179.10121.2
534S32Very low30Very low100 Ų100147 Ų14770%0.69975%0.745SS**  trans87.5121.6175.2-280000114.4
535N30.1Very low30.4Very low135 Ų135147 Ų14772%0.72275%0.745SS**  76.412858.9-80.261.1000111.5
536E33.6Very low30.6Very low156 Ų156148.5 Ų148.573%0.72974%0.741SS**  cis-144.2149.97.2-57.3-156.5150.400111.7
537L31.3Very low30.7Very low127 Ų127148.5 Ų148.567%0.66574%0.738SS**  50.7119.998.2-149.782.5000116.9
538C32.2Very low30.9Very low137 Ų137144.4 Ų144.493%0.92673%0.732SS**  trans-155.1121.4154-97.10000110
539H29Very low31Very low154 Ų154143.9 Ų143.971%0.71374%0.738SS**  trans-104.6146.8179.1-65.4-87.7000112
540S30.7Very low31.1Very low109 Ų109140.2 Ų140.276%0.76274%0.738SS**  trans-168.899.3148.3-174.40000108.7
541T29.4Very low31.2Very low117 Ų117138.1 Ų138.172%0.71874%0.736SS**  57.5106.168.471.30000115.6
542N31.9Very low31.3Very low168 Ų168134.4 Ų134.490%0.89873%0.733SS**  trans-152.3124.5142.5-137.4-6.6000110.8
543P33Very low31.5Very low94 Ų94137.6 Ų137.661%0.6175%0.745SS**  trans-126.5-177.9-165.245.2-34.9000116.3
544F28.8Very low31.6Very low172 Ų172135.5 Ų135.575%0.75474%0.741SS**  trans60.1116.6155.2-78.3-68.3000120.8
545N34.5Very low31.7Very low136 Ų136141.1 Ų141.173%0.72775%0.753SS**  164.5123.6109.6-84.1-51.1000108.9
546K32.2Very low31.7Very low155 Ų155141.9 Ų141.967%0.67476%0.756SS**  90.4126.260.6-99.6-172.1170.3-1780113
547M30.3Very low31.7Very low147 Ų147139.7 Ų139.772%0.72476%0.758SS**  trans65.9151154.7-77.6130.7164.600116.9
548D33.4Very low31.8Very low144 Ų144145.2 Ų145.277%0.7777%0.77SS**  cis-144.5167.53.8-115.1-34.7000113.1
549T29.7Very low31.8Very low117 Ų117144.7 Ų144.772%0.71876%0.757SS**  trans-82.3144.7173.555.20000112.9
550T33Very low32.1Very low135 Ų135142.8 Ų142.883%0.82876%0.761SS**  trans-178.1155.4138.417.50000116.9
551T31.3Very low32.1Very low114 Ų114144 Ų14470%0.69976%0.758SS**  trans66.390.1142.7-54.80000122
552T30.5Very low32.2Very low111 Ų111148.3 Ų148.368%0.68176%0.763SS**  trans9136.1131.158.10000122.4
553H34.5Very low32.3Very low180 Ų180147.3 Ų147.383%0.83375%0.753SS**  trans-149.193.6143-111.5-86.8000110
554I32.1Very low32.2Very low137 Ų137150 Ų15070%0.70376%0.758SS**  52.9111.499.1-57.4175.1000114.9
555K33.9Very low32.3Very low218 Ų218148.8 Ų148.895%0.94876%0.758SS**  trans-149.395.9148.8-154.7168.3-170173.10110.6
556L30Very low32.1Very low152 Ų152151.3 Ų151.380%0.79676%0.759SS**  trans-128.1127.2-175.1-105.1168000111
557S34.2Very low32.2Very low110 Ų110150.4 Ų150.477%0.76976%0.761SS**  trans-173.5146.6157.956.30000108
558R33.6Very low32Very low243 Ų243149 Ų14992%0.91777%0.766SS**  cis-121.116410.6-65.8173173.6159.5-3.3111.8
559I32.3Very low31.9Very low126 Ų126147.4 Ų147.465%0.64677%0.766SS**  trans-132.8145.4-178.2-67.4171.5000109.5N561I559-N561 HydrophobicContact CG2-CB 4.49Å; I559-N561 WeakPolarHBondContact CG2-OD1 3.5Å
560S34.3Very low32.1Very low114 Ų114149 Ų14980%0.79777%0.769SS**  trans-162.486.6157.154.40000108.2
561N31Very low31.9Very low134 Ų134151.2 Ų151.272%0.71777%0.769SS**  62.4106.377.7-761.3000115.3I559I559-N561 HydrophobicContact CG2-CB 4.49Å; I559-N561 WeakPolarHBondContact CG2-OD1 3.5Å
562Y32Very low32.1Very low207 Ų207154.3 Ų154.381%0.81278%0.776SS**  -153.6106.4122.8-109.3-88.7000104
563E33.5Very low32Very low148 Ų148153.3 Ų153.369%0.69277%0.773SS**  61143.9101-69.7-166.1157.300114.8
564Q31Very low31.9Very low151 Ų151150.5 Ų150.571%0.70677%0.769SS**  cis171.3162.9-23.8-116.5-168.873.300104.6
565L30.4Very low31.9Very low146 Ų146150.5 Ų150.576%0.76478%0.776SS**  trans67.9151.6-180-33.5178.1000113.4
566Y31.2Very low31.7Very low189 Ų189147.8 Ų147.874%0.74177%0.771SS**  cis-137.9142.914.8-143.7-90.6000111.9
567N33.3Very low31.9Very low135 Ų135146.3 Ų146.372%0.72277%0.77SS**  trans52.3110.3165.4-72.25.1000123
568S27.3Very low31.4Very low117 Ų117151.8 Ų151.882%0.81878%0.775SS**  trans-77.7144.7141.7-44.20000111.2
569S31.5Very low31.4Very low111 Ų111145.1 Ų145.178%0.77677%0.766SS**  trans155.4137.5164.2-81.90000107.9
570I33.5Very low31.3Very low152 Ų152146.7 Ų146.778%0.77977%0.77SS**  cis-144.91518.2-102.3149.5000108.9
571H29.5Very low31.3Very low181 Ų181151.4 Ų151.484%0.83878%0.777SS**  trans-100.2152.7165.1-111.1-91.4000109.3
572Q34.2Very low31.4Very low178 Ų178150.7 Ų150.783%0.83277%0.773SS**  trans107.6146.5-176.3-64.916337.400112.2
573S28.5Very low31.5Very low91 Ų91147.6 Ų147.664%0.63677%0.771SS**  cis-168.5168.5-15.7-970000110.3
574T31.9Very low31.4Very low120 Ų120147 Ų14774%0.73677%0.772SS**  trans57.5113.6148.2470000122.6
575T33.4Very low31.7Very low138 Ų138147.6 Ų147.685%0.84778%0.78SS**  trans73.4146.4130.556.80000123.9
576L29.2Very low32Very low161 Ų161148.3 Ų148.384%0.84378%0.779SS**  trans-58.5168.7169.1-64.4170.6000113.2
577P34.2Very low32.2Very low120 Ų120146.5 Ų146.578%0.77978%0.782SS**  cis-149.1-170.330.544.9-23.6000119
578Y24.8Very low32.2Very low226 Ų226144 Ų14489%0.88678%0.775SS**  trans-11.4134.4159.4-102.9-110.2000119.2
579S33Very low32.4Very low102 Ų102149.8 Ų149.871%0.71378%0.781SS**  -177.5140.7111.856.90000114.7
580Q30.6Very low32.6Very low159 Ų159147.8 Ų147.874%0.74378%0.777SS**  trans11.3128.9155.6-65.2159.5-77.700121.5
581F34.1Very low32.6Very low214 Ų214147.8 Ų147.894%0.93978%0.779SS**  trans-137.6130132.9-108.1-85000109.3
582N31.7Very low32.6Very low118 Ų118146 Ų14663%0.63177%0.774SS**  trans-92153.1176.4-68.7-3000110.6
583N34.5Very low32.5Very low143 Ų143144 Ų14477%0.76577%0.769SS**  174.1104.5113.2-84.4-3.6000111.3
584D32.4Very low32.6Very low134 Ų134144.9 Ų144.972%0.71777%0.771SS**  trans37114.7137.7-47.1-26.3000120.6
585N36.8Very low32.5Very low165 Ų165144.8 Ų144.888%0.88277%0.77SS**  -161.691.8122.1-104.4-58.7000113.3
586H36Very low32.4Very low161 Ų161145.1 Ų145.175%0.74577%0.766SS**  trans27.1138.6142.9-137.1-133.4000123.3
587L35.2Very low32.5Very low150 Ų150142.8 Ų142.879%0.78576%0.759SS**  trans75.1144.1163.2-60.9142.4000119.3
588S33.8Very low32.4Very low83 Ų83144.5 Ų144.558%0.5876%0.759SS**  cis-175.5108.2-27.9160.90000110.8
589Y32.5Very low32.8Very low239 Ų239140 Ų14094%0.93775%0.75SS**  trans56.6159.5162.5-69.3-101.6000117.4
590G35.7Very low32.7Very low68 Ų68140.4 Ų140.470%0.70175%0.753SS**  cis-162149.5-6.800000109.4
591N32.4Very low32.6Very low153 Ų153137.9 Ų137.982%0.81875%0.753SS**  trans-83.2164.6-170.1-84.9-33.1000114.5
592L30.9Very low32.5Very low142 Ų142134.7 Ų134.774%0.74374%0.744SS**  trans-2.6148.3150-55.885.2000116.9
593L30.7Very low32.4Very low137 Ų137136.7 Ų136.772%0.71775%0.75SS**  -178.1145.558.5-162.973.6000112.4
594T30.4Very low32.3Very low110 Ų110136.4 Ų136.468%0.67575%0.747SS**  trans52.9146.9150.4480000125.4
595T29.6Very low32.2Very low117 Ų117136.3 Ų136.372%0.71875%0.746SS**  trans63.3108.2147.247.60000121.3
596N32.3Very low32.2Very low145 Ų145131.5 Ų131.578%0.77572%0.724SS**  -177.7118.3113.1-83.5-23.2000107.9
597T30.1Very low31.9Very low113 Ų113127.3 Ų127.369%0.69371%0.707SS**  39.7107.38955.70000115.7
598M33.6Very low31.8Very low156 Ų156126.3 Ų126.377%0.76870%0.698SS**  177.2127.1116.8-89.3-54.1172.200113.1
599N31.7Very low31.6Very low132 Ų132127.2 Ų127.271%0.70670%0.704SS**  trans59.5149.8139.9-57.1-15.1000125
600S31.4Very low31.6Very low110 Ų110120.3 Ų120.377%0.76969%0.691SS**  trans68.2117.2159.719.40000117.6
601S28.6Very low31.5Very low106 Ų106122.9 Ų122.974%0.74169%0.689SS**  cis105.6140.615-58.60000115
602I32.6Very low31.4Very low147 Ų147122.9 Ų122.975%0.75468%0.684SS**  trans71.6103.2162.4-62152.2000114.6
603E29.5Very low31.6Very low160 Ų160122.8 Ų122.875%0.74868%0.684SS**  90.415567.6-78171.587.600114.2
604L31.8Very low31.6Very low137 Ų137121.5 Ų121.572%0.71767%0.674SS**  cis-153.5-158.813.8-134.4171.1000112.1
605N30Very low31.7Very low131 Ų131125.6 Ų125.670%0.70168%0.679SS**  trans-122.6-149167.1-65.8-91.2000108.3
606P36.7Very low31.8Very low64 Ų64124.7 Ų124.742%0.41668%0.678SS.*  cis-138.2-161.8-2230-4.1000114.3I34I34-P606 WeakPolarHBondContact CA-O 3.47Å; I34-P606 PolarHBondContact N-O 3.12Å
607I30.7Very low31.8Very low74 Ų74125.5 Ų125.538%0.37968%0.679SS.*  trans146156.6136.9-74.1167.7000116.9T33 I34 K35T33-I607 HydrophobicContact CG2-CD1 4.32Å; I34-I607 HydrophobicContact CG1-CB 4.08Å; I34-I607 HydrophobicContact CG1-CG2 4.05Å; I34-I607 WeakPolarHBondContact CG2-O 3.39Å; K35-I607 WeakPolarHBondContact CB-O 3.38Å; K35-I607 WeakPolarHBondContact CD-O 3.25Å; K35-I607 WeakPolarHBondContact CG-O 2.96Å; K35-I607 PolarHBondContact N-O 3.09Å
608Q32.2Very low31.9Very low129 Ų129125.7 Ų125.760%0.60368%0.675SS**  trans-64.8-177.4-167.9-77.7136.6-75.800118.3
609S30.7Very low31.9Very low101 Ų101127.2 Ų127.271%0.70668%0.677SS**  cis-128.2-140.512.949.20000112.9
610S33Very low31.9Very low95 Ų95126.5 Ų126.566%0.66468%0.683SS**  cis-172.3165.1-7.320.10000108.1
611N33.4Very low31.9Very low121 Ų121128.7 Ų128.765%0.64768%0.683SS**  cis-167.3153-19.6-109.444000109.2
612E30Very low32.4Very low154 Ų154133.3 Ų133.372%0.7269%0.69SS**  trans56.9151.8153.5-69.3153.4137.600119.5
613D35.1Very low32.5Very low140 Ų140131.1 Ų131.175%0.74968%0.683SS**  cis-139.5-176.825.4-82.8-49.7000112.5
614Q31.1Very low32.9Very low110 Ų110130.5 Ų130.551%0.51469%0.685SS.*  cis-173.2148.6-46.7-160.2169.785.100109.4
615Y31.9Very low32.9Very low195 Ų195134.1 Ų134.177%0.76569%0.69SS**  trans65.2151.6177-54.5-64000116.8
616S32Very low33Very low99 Ų99131.7 Ų131.769%0.69269%0.689SS**  cis-170.2169.8-4.9-109.90000108.3
617M32.8Very low32.8Very low162 Ų162134.8 Ų134.880%0.79871%0.706SS**  cis-157.2-163.40.6-135.3-138.5-164.100113.2
618N30.3Very low32.9Very low116 Ų116139.6 Ų139.662%0.6273%0.727SS**  trans-57.7168.1168-67.2-66.3000115.9
619K34.8Very low32.9Very low188 Ų188139 Ų13982%0.81774%0.737SS**  cis-160.2162.43.7-117.6161.3-172177.30106.8
620S31.6Very low33Very low117 Ų117141.7 Ų141.782%0.81874%0.742SS**  -176.3-175.160.8-162.20000111.5
621M31.5Very low33.1Very low157 Ų157146.4 Ų146.477%0.77376%0.756SS**  trans-111.3145.6-160.7-59.8158.561.600117.1
622K38.2Very low33Very low203 Ų203148.1 Ų148.188%0.88377%0.765SS**  trans-175.2105.4140.8-102.2165.8-177.4-1800107.7
623V34.9Very low33.3Very low100 Ų100148.5 Ų148.561%0.60677%0.771SS**  70.4100.862.7-178.20000112.6
624D37.4Very low33.1Very low148 Ų148149.5 Ų149.579%0.79178%0.777SS**  -162.2160.6118-105.4-31000114.1
625Y33.6Very low33.1Very low212 Ų212154.6 Ų154.683%0.83179%0.793SS**  trans-64.9174.3-167.4-71.7-106.3000117
626A31.7Very low33Very low81 Ų81152.8 Ų152.867%0.66979%0.791SS**  cis179.9125.4-35.300000108.3
627V32.7Very low33Very low128 Ų128153.6 Ų153.678%0.77680%0.797SS**  trans-144.6147.9174.8-175.30000109.2
628H32.4Very low32.9Very low176 Ų176151.4 Ų151.482%0.81579%0.793SS**  trans8380.5-178.9-55.1-72.4000117.6
629S32.5Very low33.1Very low117 Ų117153.4 Ų153.482%0.81880%0.802SS**  trans-171.9167.8133.7-84.20000111.1
630L31.4Very low32.9Very low157 Ų157151.7 Ų151.782%0.82280%0.796SS**  trans69.377.6170.7-60.6168.5000117.8
631M35.7Very low33.1Very low194 Ų194151.8 Ų151.896%0.95680%0.797SS**  trans-140.137.6143.3-82.3-156.5168.200112.3
632D32.1Very low33Very low157 Ų157150.3 Ų150.384%0.8479%0.792SS**  trans-117.377.5170.6-79.6-54.5000110.2
633L36.3Very low33Very low161 Ų161148.5 Ų148.584%0.84379%0.792SS**  trans-149.998.5162.4-81.9-172.9000110.4
634N30.7Very low32.8Very low162 Ų162150.8 Ų150.887%0.86680%0.801SS**  trans-83.4119.6144.4-72.1-40.6000106.8
635Y31.7Very low32.8Very low217 Ų217149.1 Ų149.185%0.85180%0.801SS**  trans-174.1138.9141.5-124.6-88.5000111
636E29.5Very low32.9Very low156 Ų156147.5 Ų147.573%0.72980%0.798SS**  trans-63.9139.4171.5-79.885.1157.400113
637S32.4Very low33Very low116 Ų116149.8 Ų149.881%0.81180%0.799SS**  trans-147.7125.1135.552.60000110.5
638V30.5Very low33.2Very low117 Ų117152.2 Ų152.271%0.70980%0.802SS**  trans-98.8125.4171.9173.10000107.8
639I33.7Very low33Very low158 Ų158151 Ų15181%0.8180%0.802SS**  trans-131.9121.5161.1-61.3-176.7000107.6
640H30.7Very low33.1Very low152 Ų152155.9 Ų155.970%0.70480%0.804SS**  trans-84140.2169.9-76.5-106000110.2
641S36.6Very low33Very low118 Ų118153.9 Ų153.983%0.82580%0.803SS**  trans-130.5114.6148.5-67.70000107.2
642N29.3Very low32.8Very low126 Ų126152.8 Ų152.867%0.67480%0.8SS**  trans-73.6150.5170.8-62.7-26.7000109.2
643D37Very low32.8Very low166 Ų166154 Ų15489%0.88880%0.798SS**  trans-153.6152.3132.3-114.8-33.2000111.5
644N30.5Very low32.5Very low147 Ų147157.1 Ų157.179%0.78680%0.8SS**  trans-116.4112.1-163.6-71.4-74.2000114.3
645S37.5Very low32.7Very low114 Ų114155.3 Ų155.380%0.79780%0.795SS**  trans-155122.9143.4490000108.5
646K35.4Very low32.7Very low177 Ų177152.2 Ų152.277%0.7779%0.793SS**  65.3116.461.5-77.9-158.8164.3-157.40114.4
647D34.2Very low33Very low129 Ų129152.9 Ų152.969%0.6979%0.794SS**  trans58.8119141.1-43.7-26.7000115.9
648Q36.5Very low33.1Very low179 Ų179158.1 Ų158.184%0.83680%0.797SS**  cis-166.8168.247.1-122.9158.628.600112.8
649D30.3Very low33.2Very low152 Ų152159 Ų15981%0.81380%0.798SS**  trans-60131.7173.7-75.8-67.9000114
650Y33.9Very low33.3Very low218 Ų218160 Ų16086%0.85580%0.797SS**  trans-139.8122.2148.9-91.8-73.8000112.8L652Y650-L652 PolarHBondContact O-N 3.34Å
651S28.2Very low33.6Very low115 Ų115160.5 Ų160.580%0.80480%0.802SS**  trans-66.8119.9178.3179.90000112
652L31.8Very low33.5Very low172 Ų172160.1 Ų160.190%0.90180%0.797SS**  trans-129.5136.4165.6-101.6168.1000111.2Y650Y650-L652 PolarHBondContact O-N 3.34Å
653K33.2Very low33.7Very low181 Ų181162.3 Ų162.379%0.78781%0.807SS**  trans-82.2149.3-160.8-64.4170.8-177.9171.40112.6T655K653-T655 PolarHBondContact O-N 3.38Å
654Y28.8Very low33.6Very low228 Ų228159.7 Ų159.789%0.89480%0.802SS**  trans-46.5129.3160.9-89.3-100000111.2
655T34.6Very low33.5Very low123 Ų123157.8 Ų157.876%0.75580%0.8SS**  trans-118.590.6165.745.40000109.8K653 K657K653-T655 PolarHBondContact O-N 3.38Å; T655-K657 PolarHBondContact O-N 3.45Å; T655-K657 VanDerWaalsContact O-N 3.12Å
656N32.7Very low33.5Very low153 Ų153158.8 Ų158.882%0.81880%0.802SS**  trans-62.4112.3160.1-90.9-11.3000107.7
657K35.8Very low33.2Very low170 Ų170158.1 Ų158.174%0.73981%0.806SS**SBendtrans-71148.1159.2-68.3-178178.4179.50108.2T655T655-K657 PolarHBondContact O-N 3.45Å; T655-K657 VanDerWaalsContact O-N 3.12Å
658Y33.8Very low33.2Very low225 Ų225157.1 Ų157.188%0.88281%0.81SS**SBendtrans70.766.4-176.8-45.5-73.9000115.9
659D33Very low32.9Very low136 Ų136154.6 Ų154.673%0.72781%0.807SS**  trans-150.3145139.3-143-17.3000112.1
660K36.4Very low33.1Very low180 Ų180155.2 Ų155.278%0.78381%0.808SS**  trans56.7107170.1-52.2-175.7-174.9-179.40119.8
661I36.2Very low33Very low161 Ų161150.6 Ų150.683%0.82680%0.798SS**  trans-97.3131.2140.1-64175.8000107
662P35.2Very low33.4Very low111 Ų111151.8 Ų151.872%0.72179%0.791SS**  trans-79.2137.4178.331.7-33.6000111.7
663I32.5Very low33.4Very low172 Ų172151.4 Ų151.488%0.88278%0.782SS**  trans-96.9102.8170.3-51.9174.5000107.8
664S35Very low33.6Very low110 Ų110148.9 Ų148.977%0.76978%0.777SS**  trans-100.8113.9176.2540000111
665S29.2Very low34Very low107 Ų107143.9 Ų143.975%0.74877%0.765SS**  trans-102.7115.7179.555.80000112.2
666T38Very low34Very low136 Ų136147.9 Ų147.983%0.83477%0.766SS**  trans-145.3136.3166.744.50000110.5
667N28.9Very low34.2Very low162 Ų162147.6 Ų147.687%0.86676%0.758SS**  trans-95.5134.5-174.1-56.6-35.7000112.7
668S33Very low34.2Very low109 Ų109144.8 Ų144.876%0.76275%0.751SS**  trans-172.5106.2146.152.80000107.4
669T29.9Very low34.3Very low126 Ų126142 Ų14277%0.77375%0.75SS**  65.5137.175.1-42.40000112.7
670I34.3Very low34.5Very low164 Ų164140.9 Ų140.984%0.84175%0.751SS**  trans84137.4175.3-50.5178.6000115
671D32.4Very low34.2Very low121 Ų121142.6 Ų142.665%0.64775%0.754SS**  cis-171.2172.6-31.4-168.615.2000108.5
672Q36.5Very low34.4Very low140 Ų140140.6 Ų140.665%0.65475%0.751SS**  trans79.896.2152.9-50.3-147.40.100122.4
673F33.1Very low34.3Very low164 Ų164141 Ų14172%0.71975%0.752SS**  77.6148.3115.4-80.6-71.4000123.6
674N35.9Very low34.4Very low128 Ų128139 Ų13968%0.68474%0.743SS**  trans81.7139.5148.7-68.4-19.2000120.6
675I38Very low34.2Very low123 Ų123143.2 Ų143.263%0.63175%0.747SS**  cis-166.5141.1-22.6-133178000110.8
676R33.5Very low34.4Very low207 Ų207141.4 Ų141.478%0.78175%0.745SS**  trans63159157.8-63.8175.7176.7-174.7-0.1118
677K38.4Very low34.3Very low147 Ų147141.7 Ų141.764%0.63974%0.742SS**  cis-162.7157-14.3-113.6177156.9-71.60112.5
678D34.8Very low34.4Very low112 Ų112144.7 Ų144.760%0.59974%0.743SS**  trans47.6115.3144.9-45.5-21.6000123.8
679L35.3Very low34.6Very low166 Ų166144.9 Ų144.987%0.86974%0.741SS**  36.2163.6118.3-89.269.2000123.2
680P37.3Very low34.9Very low113 Ų113148 Ų14873%0.73475%0.747SS**  cis-137.7-169.2-15.737.9-16.9000115.3
681Y31.7Very low34.7Very low216 Ų216148.7 Ų148.785%0.84775%0.747SS**  trans-68.3159.8172.8-89-92.4000115.8
682P39.8Very low34.9Very low119 Ų119150.8 Ų150.877%0.77376%0.758SS**  trans-126178.6134.138.3-30000113.9
683T33.8Very low34.6Very low119 Ų119150.3 Ų150.373%0.7377%0.765SS**  trans-128.6170.2-165.846.80000115.2
684N34.3Very low34.4Very low130 Ų130147.5 Ų147.570%0.69577%0.765SS**  trans86.8115.1160.6-73.2-50.9000121.4
685K30.7Very low34.2Very low199 Ų199147.7 Ų147.787%0.86577%0.771SS**  35.9130.1122.2-57.8-179178.6-174.70119.9
686G32.9Very low33.9Very low68 Ų68150 Ų15070%0.70178%0.784SS**  trans167.554.816200000117.5
687D35.2Very low33.7Very low143 Ų143147.4 Ų147.477%0.76578%0.784SS**  trans42.7156.1152.6-51.6-26.2000124.1
688Y32.2Very low33.3Very low225 Ų225147.4 Ų147.488%0.88279%0.786SS**  trans83.4144.8171.5-64.1-83.2000119
689P37Very low33.1Very low112 Ų112149.4 Ų149.473%0.72779%0.792SS**  trans-122.7168.2-156.942.6-28.9000114.8
690E34.8Very low32.9Very low192 Ų192149.6 Ų149.690%0.89779%0.793SS**  -158.6171.9121.2-120.3174.2-169.400112
691E31.5Very low32.5Very low179 Ų179156.7 Ų156.784%0.83681%0.805SS**  trans-66.5138.7-156.5-54.3-174.9142.700115.4
692N35.5Very low32.5Very low165 Ų165151 Ų15188%0.88280%0.797SS**  trans-147.5148147-107.8-71.5000111.1
693T30.4Very low32.1Very low130 Ų130151.8 Ų151.880%0.79880%0.795SS**  trans-90.4168.5-159.565.60000114.8
694S28.8Very low31.9Very low104 Ų104153.9 Ų153.973%0.72780%0.802SS**  trans72.181.1161.6-178.10000118.1
695T32.7Very low31.7Very low132 Ų132156.2 Ų156.281%0.8181%0.809SS**  -175.8126.6113.722.70000111.1
696L30.9Very low31.6Very low173 Ų173151.6 Ų151.691%0.90680%0.801SS**  trans-129.391.3175.7-160.8162.7000106.3
697L30.2Very low31.5Very low151 Ų151155.3 Ų155.379%0.79180%0.803SS**  90.6138.150.8-159.1130.6000111.9
698H30.1Very low31.4Very low147 Ų147155.3 Ų155.368%0.68180%0.803SS**  trans-86.5163.7-166.7-162.3-107.3000111.5
699H30.9Very low31.2Very low154 Ų154152.8 Ų152.871%0.71380%0.8SS**  trans69.7125.3-175-48.6-90.5000113.4
700L30.4Very low30.9Very low171 Ų171158.2 Ų158.290%0.89581%0.807SS**  -148.5123.356.2-82.3155.8000111.8
701W29.3Very low30.8Very low261 Ų261155.1 Ų155.199%0.98980%0.804SS**  trans-100.4111.4163.1-94.4-32.5000109
702S31.7Very low30.6Very low97 Ų97152.8 Ų152.868%0.67881%0.806SS**  trans-173.3136.4139.4-122.60000110.2
703D30.2Very low30.3Very low136 Ų136150.6 Ų150.673%0.72780%0.802SS**  trans50102.9144.9-42-40.3000119.3
704N30.7Very low30.2Very low163 Ų163149 Ų14987%0.87280%0.796SS**  -157.8163.9102.1-107.6-75.8000112.9
705E30Very low30.2Very low179 Ų179149.5 Ų149.584%0.83680%0.795SS**  trans-84.9145.7-165.3-54.4179.2121.700113.9
706S28.8Very low30.1Very low102 Ų102153.6 Ų153.671%0.71380%0.797SS**  152.9153.7114.361.30000114.5
707I30.8Very low30.1Very low145 Ų145156.6 Ų156.674%0.74480%0.798SS**  trans73.4148.9165.1-59.1157.9000116.3
708N31.8Very low30.5Very low143 Ų143156.9 Ų156.977%0.76580%0.799SS**  trans68.590.8-176.8-57.1-43.4000115.1
709Q29.1Very low30.5Very low172 Ų172152.8 Ų152.880%0.80480%0.797SS**  cis77.471.340.3-156.3-177.60.500115.4
710Y31Very low30.5Very low227 Ų227155.7 Ų155.789%0.8981%0.808SS**  trans-146129.4154.9-94.7-76.9000111.1
711P32.9Very low30.4Very low127 Ų127153.6 Ų153.683%0.82581%0.806SS**  trans-87.5137.5-174.533.1-34.1000113.4
712C26.1Very low30.6Very low130 Ų130146.9 Ų146.988%0.87880%0.799SS**  trans-126.666.9173.2-164.80000112
713C30.1Very low30.6Very low118 Ų118148.1 Ų148.180%0.79780%0.803SS**  trans-122.7125.3162.1-71.70000106.5
714S27.9Very low30.8Very low97 Ų97148.1 Ų148.168%0.67880%0.803SS**  57.211667.1-1680000112.5
715T28.2Very low31Very low114 Ų114147.8 Ų147.870%0.69980%0.801SS**  trans46.9107.7157.651.70000118
716Y32Very low30.9Very low219 Ų219144.7 Ų144.786%0.85980%0.798SS**  -153.1129.9116.5-101.3-67.6000110.6
717Y30.7Very low31.1Very low236 Ų236149.5 Ų149.593%0.92581%0.806SS**  trans-106.3103175-148-95000107
718L38.1Very low31.2Very low156 Ų156148 Ų14882%0.81781%0.809SS**  trans-122.5143.6172.8-67.1170.9000107.4
719G28.9Very low31.1Very low61 Ų61145.8 Ų145.863%0.62980%0.804SS**  cis172.433.21.500000113.3
720F32.5Very low31.4Very low215 Ų215146.1 Ų146.194%0.94380%0.803SS**  trans-108.994.2178.4-80.2-77.3000110.5
721C28Very low31.6Very low127 Ų127144.1 Ų144.186%0.85880%0.8SS**  trans-90108.6165.7-63.30000108.7
722S32.9Very low31.5Very low121 Ų121142.6 Ų142.685%0.84679%0.788SS**  trans-91.2125.1148.1-71.80000107.1
723T31.9Very low31.7Very low123 Ų123143 Ų14376%0.75578%0.781SS**  trans-67.9136.1176.849.30000110.6
724N34.9Very low31.8Very low136 Ų136142.4 Ų142.473%0.72778%0.778SS**  -173.4157.9113.4-86.1-2000110.9
725D34Very low32Very low156 Ų156144.9 Ų144.983%0.83478%0.783SS**  trans56.877.6160.4-51-24.7000118.3
726C28.1Very low32.3Very low114 Ų114147.3 Ų147.377%0.7779%0.787SS**  trans-88.5127152.8178.70000109.5
727F34.1Very low32.3Very low202 Ų202146.7 Ų146.789%0.88678%0.784SS**  trans-163.4137.9132-109.8-65.9000114.6
728S32.4Very low32.3Very low114 Ų114140.8 Ų140.880%0.79777%0.769SS**  trans51.5125.3153.7-139.70000121.5
729S29.3Very low32Very low96 Ų96141.5 Ų141.567%0.67177%0.773SS**  trans-115.2136.2156.466.50000109.3
730K36.3Very low32.2Very low180 Ų180144.5 Ų144.578%0.78378%0.78SS**  trans153.8140.2137.1-89.7165.3-174.2175.90113.4
731F33.7Very low32.3Very low185 Ų185143 Ų14381%0.81177%0.773SS**  trans64.9148.6156.1-80.8-123000115.4
732T31.1Very low32.7Very low94 Ų94143 Ų14358%0.57777%0.774SS**  cis-156.5162.8-22.26.80000107.7
733D31Very low32.7Very low139 Ų139144.3 Ų144.374%0.74377%0.772SS**  trans53.6114.5152.3-53.4-25.2000120.9
734S31.9Very low32.8Very low105 Ų105145.8 Ų145.873%0.73477%0.774SS**  59125.9120.2-54.60000122.2
735L32Very low32.8Very low149 Ų149145.8 Ų145.878%0.7877%0.773SS**  trans87.7133.7152.2-64.7169000119.9
736Q34.2Very low32.8Very low166 Ų166146.9 Ų146.978%0.77677%0.773SS**  trans63.7116.1158.2-67158.5-95.300117.6
737Y32.2Very low33Very low205 Ų205152.2 Ų152.280%0.80478%0.778SS**  96.3118.461.4-129.9-95.3000110.5
738D30.1Very low32.8Very low112 Ų112149.2 Ų149.260%0.59977%0.771SS**  trans38.6118.8164.7-58.6-5.1000120.3
739N33.2Very low32.9Very low171 Ų171152.7 Ų152.791%0.91478%0.775SS**  -139.6133.5115.9-99.9-83.1000109
740T32.5Very low33.1Very low124 Ų124152.7 Ų152.776%0.76178%0.775SS**  trans-93.1160.1178.653.60000111.2
741K35.2Very low32.9Very low185 Ų185148.6 Ų148.680%0.80477%0.769SS**  trans150.7113.2131.2-177.1169.8-174.5172.90112
742S35.8Very low32.8Very low125 Ų125146.8 Ų146.887%0.87477%0.768SS**  trans-167.354148.6-79.50000109.5
743D33.1Very low32.9Very low150 Ų150148 Ų14880%0.80278%0.775SS**  trans-74135.7166.2-60.8-66.8000109.9
744L34.3Very low32.9Very low154 Ų154147.1 Ų147.181%0.80677%0.774SS**  trans-154.491.1157.9-113.2166.5000108.8
745I34Very low33Very low136 Ų136148.9 Ų148.970%0.69777%0.774SS**  trans47.9124.9134.1-57.4177.5000115.8
746E34.9Very low33Very low179 Ų179148.9 Ų148.984%0.83677%0.77SS**  cis-152.2164.245-151139.8-147.200112.7
747Y31.8Very low33Very low225 Ų225147.8 Ų147.888%0.88277%0.765SS**  trans-132.1140.9168-138-83.9000109.8
748D29.8Very low33Very low139 Ų139144.2 Ų144.274%0.74376%0.759SS**  trans-71.8132.2-174179.719.5000112.7
749Q35.1Very low33.2Very low188 Ų188143 Ų14388%0.87976%0.756SS**  trans-158132.6146.4-123158.665.500115.1
750S33.2Very low33.2Very low96 Ų96144.6 Ų144.667%0.67175%0.751SS**  trans-68.9144.4-176.653.40000116.2
751S32Very low33.3Very low93 Ų93145.6 Ų145.665%0.6575%0.751SS**  trans52.1112142.962.70000120.5
752N31.9Very low33.2Very low148 Ų148142.2 Ų142.279%0.79175%0.746SS**  -172.4115.2116.2-94.4-38000110.2
753V33Very low33.2Very low118 Ų118142.3 Ų142.372%0.71574%0.741SS**  92.7102.397.8165.30000114
754V30.5Very low33.1Very low122 Ų122142.3 Ų142.374%0.73974%0.741SS**  trans48.9118.2138.2-1670000119.2
755I33.9Very low33.2Very low141 Ų141140.7 Ų140.772%0.72374%0.74SS**  -167.3128.2110.9-94.5166.3000110.1
756Q33.4Very low33Very low150 Ų150138.6 Ų138.670%0.70174%0.737SS**  trans13.3138.1146.1-43165.6-25.400118.3
757H34Very low32.7Very low143 Ų143140.3 Ų140.366%0.66274%0.738SS**  cis-169.915143.4-111.4-63.2000111.2
758N31.8Very low32.9Very low129 Ų129137.5 Ų137.569%0.6974%0.737SS**  trans61.6143.7142.3-59.6-1.9000120.2
759T34.4Very low33Very low86 Ų86139.3 Ų139.353%0.52874%0.741SS.*  cis-171.4144.8-3.118.20000110.9
760Y32.6Very low32.8Very low205 Ų205135 Ų13580%0.80473%0.73SS**  trans62.8148.4161.3-43-49.3000117.2
761L34.9Very low32.8Very low146 Ų146137.6 Ų137.676%0.76474%0.736SS**  cis-128.8141.94.1-83.592.7000110.2
762T33.7Very low32.7Very low114 Ų114140.1 Ų140.170%0.69974%0.743SS**  44.3132.1100.792.30000116.1
763T36Very low33.4Very low127 Ų127138.5 Ų138.578%0.77974%0.741SS**  cis-150.1148.516.845.80000112.8
764N29.3Very low33.3Very low149 Ų149142.7 Ų142.780%0.79775%0.745SS**  trans-75.5161.9156.4-98.2-26.1000110.8
765P37.4Very low33.6Very low121 Ų121146.7 Ų146.779%0.78675%0.752SS**  -140.6142108.537-25.2000115.1
766S28.8Very low33.8Very low91 Ų91145.5 Ų145.564%0.63675%0.751SS**  trans-91.2175.9155.2-50.80000110
767Y30.5Very low34Very low216 Ų216144.5 Ų144.585%0.84776%0.758SS**  trans75.286.6172.6-61.3-85000119
768L35.4Very low34.3Very low166 Ų166146.1 Ų146.187%0.86977%0.766SS**  -148.7132.2124.3-68.9-176000104.6
769Q31.5Very low34.7Very low177 Ų177146.3 Ų146.383%0.82777%0.765SS**  cis59.578.223.1-168.9163.5-2500115.4
770C30.5Very low34.9Very low97 Ų97148.7 Ų148.766%0.65577%0.773SS**  trans-169142.913956.70000114
771N33.6Very low35.2Very low150 Ų150148.2 Ų148.280%0.80278%0.778SS**  trans69.199.3143.3-57-8.5000121.7
772N29.3Very low35.6Very low146 Ų146148.2 Ų148.278%0.78177%0.774SS**  trans-63.3142.7145.2-155.414.9000110.7
773P46.3Very low36Very low115 Ų115149.7 Ų149.775%0.74777%0.773SS**  trans-122.5131.9157.135.1-24.9000113.6
774Y31.5Very low36.4Very low206 Ų206150 Ų15081%0.80877%0.77SS**  trans-64.6144-179-78.8-111.4000115.4V776Y774-V776 HydrophobicContact CD1-CG2 4.48Å
775K37.7Very low37.3Very low205 Ų205147.7 Ų147.789%0.89176%0.763SS**  trans-140.6101.2133.3-86.9-166.4169.8-167.80106.6
776V38.3Very low37.5Very low116 Ų116149.1 Ų149.170%0.70376%0.762SS**  66.111970.2-176.50000111.4Y774Y774-V776 HydrophobicContact CD1-CG2 4.48Å
777P37.8Very low38Very low129 Ų129149.4 Ų149.484%0.83876%0.764SS**  trans-97.1164.6-16839.1-37.3000114.6
778E39.5Very low38.5Very low177 Ų177144 Ų14483%0.82776%0.758SS**  trans-157.9134-173.9-166.8163.4-135.400108.1
779I40Very low38.8Very low133 Ų133142.2 Ų142.268%0.68275%0.754SS**  cis-150151.5-12.2-133.9166.6000109.9
780I37.8Very low39.2Very low136 Ų136139 Ų13970%0.69775%0.746SS**  trans34121.8158.4-59.2159.7000119.9
781H40.7Very low39.6Very low195 Ų195138.9 Ų138.990%0.90375%0.747SS**  trans-95.4143.9152.6-129.4-72.6000108.8
782E41.5Very low39.9Very low146 Ų146138.1 Ų138.168%0.68274%0.743SS**  trans-125.5148.9-172.9-148.8172.9-14800111.6
783H43.5Very low40.4Very low146 Ų146138.2 Ų138.268%0.67674%0.738SS**  trans63.8143.8177.3-60.2-77.1000117.3
784D44.6Very low40.2Very low134 Ų134139.6 Ų139.672%0.71774%0.737SS**  cis-156.8176.6-9.9-110-17.4000110.6
785P46.8Very low40.7Very low100 Ų100136 Ų13665%0.64973%0.731SS**  trans-121.6-178.6-145.637.7-22.9000117.7
786I42.4Very low40.9Very low150 Ų150133 Ų13377%0.76973%0.725SS**  trans144.2134.8138.5-73.9157.3000114.7
787S39.1Very low41.3Very low97 Ų97132.5 Ų132.568%0.67872%0.724SS**  trans39.7125.8164.366.90000121.2
788S40.3Very low41.4Very low102 Ų102133.5 Ų133.571%0.71372%0.723SS**  cis98.912727.177.50000116.4
789V42Very low41.4Very low129 Ų129131.3 Ų131.378%0.78272%0.715SS**  trans73.1131.1145.6167.10000117.4
790T39.3Very low41.4Very low109 Ų109130.5 Ų130.567%0.66972%0.716SS**  cis-160.2154.1-721.80000112.1
791S39.9Very low41.5Very low96 Ų96128.4 Ų128.467%0.67171%0.714SS**  trans28.7154.8130.3-36.60000122.1
792N38.9Very low41.4Very low133 Ų133125.7 Ų125.771%0.71171%0.706SS**  cis-170.6158.943.7-121.1-32.7000114
793Q41.3Very low41.2Very low148 Ų148126.7 Ų126.769%0.69271%0.711SS**  trans68.2158.4150.9-70.9163.429.800118.7
794M41.4Very low41.1Very low144 Ų144124.6 Ų124.671%0.70971%0.713SS**  cis-157.9147.816.7-135.3162.3-170.600112.4
795N41.2Very low40.8Very low131 Ų131125.1 Ų125.170%0.70172%0.715SS**  trans57.5153.6156-55.6-0.8000121.1
796D43Very low40.3Very low142 Ų142127.5 Ų127.576%0.75972%0.721SS**  cis-160.6164.8-24.2-105.1-32.6000110.8
797P47.2Very low40.2Very low105 Ų105125.3 Ų125.368%0.68272%0.715SS**  trans-112.2167.8-168.341.5-35.2000116.8
798N39.6Very low40.3Very low151 Ų151127.4 Ų127.481%0.80772%0.716SS**  trans176.5154.3157.9-96.5-23.8000111.4
799I39.4Very low40.3Very low131 Ų131129.6 Ų129.667%0.67272%0.717SS**  cis-164.2153.1-21.6-141.8176.7000110
800T39.9Very low40.1Very low115 Ų115130.7 Ų130.771%0.70672%0.718SS**  trans58.1126.9165.251.30000120.9
801S39.3Very low40.1Very low93 Ų93134.1 Ų134.165%0.6573%0.729SS**  81.5137.374101.70000113.9
802N38.3Very low39.9Very low137 Ų137135.6 Ų135.673%0.73373%0.729SS**  cis-158.1158.39.8-106.3-12.1000113.2
803E38.7Very low39.6Very low167 Ų167139.9 Ų139.978%0.7874%0.735SS**  trans46.4139.5148.3-59.6-166.8137.400125.3
804S41.2Very low39.4Very low102 Ų102138 Ų13871%0.71374%0.738SS**  trans51.1139.9136.5-61.70000122.1
805L37.5Very low39.1Very low145 Ų145137.1 Ų137.176%0.75974%0.741SS**  cis-159.9178.65.7-116.8169000111.3
806L37.5Very low39Very low151 Ų151136 Ų13679%0.79174%0.744SS**  trans-15.2149.7160.9-96.246.9000118.5
807T40.3Very low38.9Very low104 Ų104138.8 Ų138.864%0.63875%0.749SS**  cis-169.6168.6-5.5-143.20000112.8
808M39.2Very low38.6Very low140 Ų140138.3 Ų138.369%0.6975%0.748SS**  trans7.4147.7158.5-57.8-175.8-71.200121.2
809M40.9Very low38.5Very low149 Ų149138.1 Ų138.173%0.73475%0.746SS**  cis-168.31766.5-121.3170.7-170.600113.5
810N39.3Very low38.6Very low151 Ų151137.1 Ų137.181%0.80775%0.746SS**  trans81.1118.8157.4-64.1-17.6000121.1
811M38.5Very low38.7Very low182 Ų182139.7 Ų139.790%0.89775%0.75SS**  trans-87.9149.9162.6-64.5178.3-178.800109.3
812N36.6Very low38.7Very low127 Ų127142.1 Ų142.168%0.67975%0.751SS**  cis104.714032.2-1462.3000113
813R32.6Very low38.7Very low223 Ų223144 Ų14484%0.84275%0.749SS**  trans-80.7163.8-176.9-70.7172.5163.4-177.3-4.4112.8
814S37Very low39Very low108 Ų108144.4 Ų144.476%0.75575%0.748SS**  164.9142128-72.50000110.1
815T34.8Very low39.3Very low126 Ų126146.9 Ų146.977%0.77375%0.749SS**  cis81.5108.130.167.70000117.5
816S38.2Very low39.9Very low108 Ų108147.2 Ų147.276%0.75575%0.751SS**  trans177.6148.9160.652.70000109.2
817K40.7Very low40Very low200 Ų200148.6 Ų148.687%0.8775%0.753SS**  cis-154.4166.9-12.1-90.7155.1-172.8173.20104.3
818S40.5Very low40Very low94 Ų94148.4 Ų148.466%0.65775%0.754SS**  cis-174.9144.845.1-166.60000110.9
819I38.2Very low40.3Very low148 Ų148153.4 Ų153.476%0.75978%0.783SS**  trans35.9127.2137.8-53.7171.5000117.6
820T42.1Very low40.3Very low109 Ų109153.7 Ų153.767%0.66979%0.785SS**  cis-152.9167.349.4-22.30000114
821E41.5Very low40.3Very low169 Ų169153.8 Ų153.879%0.7978%0.784SS**  trans65.2157.6157.3-73.7162.3-146.300119.8
822Q40Very low40.4Very low145 Ų145152.2 Ų152.268%0.67878%0.778SS**  -161.4153.9-50.4-143.6177.82.900110.3
823Y38.4Very low40.6Very low177 Ų177153.7 Ų153.769%0.69478%0.783SS**  trans69.4119.6174-67.8-78.2000117
824F43.2Very low41.1Very low175 Ų175149.4 Ų149.477%0.76878%0.78SS**  65136.9105.4-80.8-123.1000113.9
825E47.8Very low41.4Very low154 Ų154152.1 Ų152.172%0.7278%0.781SS**  cis-154.7147.123.5-157156.3-130.400112.5
826D50.5Low41.9Very low152 Ų152154 Ų15481%0.81378%0.782SS**  trans58.3170.3157.7-70.85000124.5
827Q39.5Very low42.2Very low179 Ų179157.5 Ų157.584%0.83678%0.784SS**  trans-156.4-178.1-150.4-76.6-111.2-35.100109.9
828P40.7Very low42.3Very low101 Ų101154 Ų15466%0.65678%0.777SS**  cis-134.3170.9-49.538.2-23.7000113.1
829L45.1Very low42.5Very low245 Ų245159.5 Ų159.5100%1.28379%0.788SS**  trans-160.50134.2-113.5168.2000110.5

Retrieved 829 of 829 residues in 1029.4 ms (Link to these results)