A0A087Y6D3_POEFO Loading...

mRNA decay activator protein ZFP36

Zinc-finger RNA-binding protein that destabilizes several cytoplasmic AU-rich element (ARE)-containing mRNA transcripts by promoting their poly(A) tail removal or deadenylation, and hence provide a mechanism for attenuating protein synthesis. Acts as a 3'-untranslated region (UTR) ARE mRNA-binding adapter protein to communicate signaling events to the mRNA decay machinery. Functions by recruiting the CCR4-NOT deadenylase complex and probably other components of the cytoplasmic RNA decay machinery to the bound ARE-containing mRNAs, and hence promotes ARE-mediated mRNA deadenylation and decay processes. Binds to 3'-UTR ARE of numerous mRNAs.

AlphaFold DB , UniProt , Accession A0A087Y6D3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 323 aa.

Structure Viewer
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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
1M41.7Very low41.9Very low243 Ų243167.5 Ų167.5100%1.19789%0.888SS**  0104.70-62.5173.7173.200106
2K38.5Very low41.6Very low208 Ų208168.2 Ų168.290%0.90488%0.882SS**  cis-140.614127.6-69.7169.7173.8176.10109.6
3A36.1Very low41.2Very low87 Ų87169.3 Ų169.372%0.71988%0.88SS**  trans-67.3144.5157.100000107.3
4E43.7Very low40.7Very low174 Ų174164.7 Ų164.781%0.81387%0.869SS**  177.2128.981.3-80.5160.5179.500104.3
5D43.6Very low40.9Very low168 Ų168165.5 Ų165.590%0.89887%0.866SS**  trans166.451.8155.8-86.4-22.4000111.1
6V49.5Very low40.7Very low152 Ų152162.7 Ų162.792%0.92186%0.858SS**  trans-124.671169.4-173.90000108.1
7A43.4Very low40.4Very low93 Ų93160.5 Ų160.577%0.76985%0.853SS**  trans-159.967.6171.600000110.7
8L44.9Very low40.1Very low175 Ų175160.9 Ų160.992%0.91685%0.854SS**SBendtrans-165.935.4160.5-107.5168.6000113.1
9Y40.1Very low39.7Very low216 Ų216156.9 Ų156.985%0.84785%0.847SS**SBendtrans-146.231.3179.7-139.8-94.5000115.7
10H39.7Very low39.6Very low197 Ų197155.1 Ų155.191%0.91284%0.841SS**  trans-154.265.9174.7-99.4-73.2000113.5
11C40.2Very low39.3Very low129 Ų129155.1 Ų155.187%0.87284%0.837SS**  trans-15052.6162.4-166.70000111.2
12H37.9Very low38.8Very low176 Ų176153.6 Ų153.682%0.81582%0.824SS**SBendtrans-146.462.8172.1-158.4-87.5000111
13Q36.3Very low38.7Very low183 Ų183151.6 Ų151.686%0.85582%0.818SS**  trans-176.9140.2153-110.9150.66.200112.3
14S34.5Very low38.3Very low105 Ų105154.5 Ų154.573%0.73482%0.822SS**  trans85.2121.8167.8-49.60000114
15Q43.6Very low37.6Very low176 Ų176150.9 Ų150.982%0.82282%0.815SS**  cis-157.5139.716.8-85.8148.13000106
16V37Very low37.1Very low121 Ų121147.8 Ų147.873%0.73381%0.807SS**  63.5109.464.7-1700000113.5
17T35.4Very low36.3Very low125 Ų125145.5 Ų145.577%0.76780%0.797SS**  trans73.3111.4149.954.90000123.2
18L35.2Very low35.9Very low168 Ų168148.5 Ų148.588%0.8880%0.801SS**  -178.4106.1120.3-129.780.8000108.1
19A33.2Very low35.7Very low86 Ų86144.4 Ų144.471%0.71179%0.785SS**  56.4127.686.200000112.4
20V36.7Very low35.2Very low120 Ų120143.3 Ų143.373%0.72779%0.785SS**  cis-169.1134.341.31700000109.9
21M34Very low34.9Very low155 Ų155141.6 Ų141.676%0.76478%0.781SS**  trans43.6127.6142.9-51.8176.4-177.400123.7
22F31.5Very low34.6Very low212 Ų212141.4 Ų141.493%0.9378%0.779SS**  -145.4119.1121.7-116.3-86.2000109
23E35.5Very low34.1Very low166 Ų166138.6 Ų138.678%0.77678%0.779SS**  trans-81.9143.7169.4-68.7168.9116.500109.7
24N28.5Very low34.2Very low148 Ų148135.2 Ų135.279%0.79178%0.775SS**  -170.5124.8121.5-14343.5000111.9
25S29.8Very low34.1Very low98 Ų98138.7 Ų138.769%0.68578%0.78SS**  trans54.2123.1146.261.60000118.9
26S31.6Very low33.6Very low103 Ų103137.5 Ų137.572%0.7278%0.779SS**  cis-166.6127.445.350.50000112.6
27S33.6Very low33.8Very low103 Ų103140.7 Ų140.772%0.7279%0.786SS**  trans38.9104.9140.957.30000119.3
28D34.4Very low33.7Very low156 Ų156142.5 Ų142.583%0.83479%0.791SS**  92.4158.581.8-94-17.9000113.1
29P40.8Very low34Very low90 Ų90142.5 Ų142.558%0.58479%0.791SS**  -140-175.8-73.328.6-2.6000114.1
30F29.4Very low34.2Very low192 Ų192145.5 Ų145.584%0.84280%0.8SS**  trans79.3107.2158.3-65.4-74.5000122.3
31L34.4Very low34.1Very low161 Ų161147.4 Ų147.484%0.84381%0.806SS**PPolyproline II helixtrans-62.1144138.1-76.1151.7000110.7
32P32.3Very low34.3Very low126 Ų126145.6 Ų145.682%0.81881%0.809SS**PPolyproline II helixtrans-95.8134.6161.129.7-19000111.9
33S27.9Very low34.7Very low117 Ų117143.5 Ų143.582%0.81881%0.807SS**PPolyproline II helixtrans-69153.6170.6-570000112Q35S33-Q35 PolarHBondContact O-N 3.36Å
34S39.3Very low34.6Very low111 Ų111143.8 Ų143.878%0.77681%0.813SS**SBendtrans-62.9111.817051.50000112.7
35Q32.3Very low34.9Very low179 Ų179143 Ų14384%0.83682%0.817SS**  trans-177.5143.8147.5-102.615714.400109S33S33-Q35 PolarHBondContact O-N 3.36Å
36D31.9Very low35.4Very low150 Ų150143.5 Ų143.580%0.80282%0.821SS**  trans83.881171-51.2-31.5000118.3
37E41.5Very low35.6Very low188 Ų188146.8 Ų146.888%0.87983%0.83SS**  trans-122.783.3162.2-70.4-80.6142.600108.2
38D33.4Very low35.9Very low164 Ų164149 Ų14988%0.87783%0.834SS**  trans-162.848.2174.8-97.4-32.7000112.5
39L42.5Very low36.2Very low168 Ų168150.3 Ų150.388%0.8884%0.84SS**  trans-171.964.1164.2-123.1142.1000117.1
40V37.4Very low36.3Very low148 Ų148150.5 Ų150.590%0.89785%0.849SS**  trans-150.267.2159.3-75.80000112.3
41D33.4Very low36.8Very low160 Ų160148.5 Ų148.586%0.85685%0.852SS**  trans-153.571.1161.2-148.65.6000111
42S37.8Very low37.1Very low118 Ų118147.9 Ų147.983%0.82585%0.85SS**  trans-165.961.2171.9-78.40000111.7
43L41.3Very low37.3Very low168 Ų168152.9 Ų152.988%0.8885%0.852SS**  trans-147.188.6158.6-79.6177.7000108
44L32.9Very low37.7Very low172 Ų172154.8 Ų154.890%0.90185%0.853SS**SBendtrans178.772.3141.4-80.8-157.5000108.5
45C34.9Very low37.7Very low130 Ų130153.5 Ų153.588%0.87885%0.85SS**  trans-159.1138.1149.8-96.80000109
46S41.2Very low38.2Very low110 Ų110148.6 Ų148.677%0.76985%0.847SS**  trans90.192.6179.1-51.90000116.1
47D34.1Very low38.6Very low171 Ų171150.8 Ų150.891%0.91485%0.849SS**  -156.2107.7122.8-94-35.1000109.7
48D41.1Very low38.8Very low150 Ų150145.8 Ų145.880%0.80284%0.835SS**  trans-72.7131.8158.6-79.5-76.9000108.5
49L39.9Very low39.5Very low184 Ų184145.6 Ų145.696%0.96383%0.833SS**  trans-159.5129.2139-80.3-165.1000111.4
50A42.7Very low39.8Very low94 Ų94142.7 Ų142.778%0.77782%0.823SS**  trans-74.5148.5-177.100000114.5
51V40.9Very low40.4Very low149 Ų149144.3 Ų144.390%0.90382%0.818SS**  trans-143.6121.5149.2178.30000109.7
52D40.3Very low41.1Very low149 Ų149140.6 Ų140.680%0.79781%0.809SS**  trans-70.1142173.3-88.6-66.6000114.2
53R37.4Very low41.8Very low231 Ų231142.2 Ų142.287%0.87281%0.808SS**  164.8115115.5-99.3164.671.7-172.21.4113.5
54D35.8Very low42.1Very low157 Ų157140.8 Ų140.884%0.8480%0.801SS**  52.998.5126.3-14929.4000120.2
55A39.1Very low42.5Very low84 Ų84137.8 Ų137.869%0.69479%0.791SS**  trans-152.6110.1149.400000109.3
56G42.5Very low43Very low75 Ų75139.6 Ų139.677%0.77379%0.791SS**  trans-57.3133-173.500000114.3
57F41.1Very low43.1Very low196 Ų196140.4 Ų140.486%0.8679%0.792SS**  trans-111.5113.9167.1-90.4-85.9000110.5
58S44.3Very low43.7Very low84 Ų84139.5 Ų139.559%0.58779%0.787SS**  trans-54.5140.2-176.2-169.60000113.8T60 K61S58-T60 WeakPolarHBondContact CB-OG1 3.27Å; S58-T60 PolarHBondContact O-N 3.2Å; S58-T60 PolarHBondContact OG-OG1 2.95Å; S58-K61 PolarHBondContact O-N 3.36Å
59L48.4Very low43.8Very low159 Ų159138.5 Ų138.583%0.83279%0.786SS**G310 helixtrans-57.3-5.6176.6-78.4165.2000114.6K61 A62L59-K61 PolarHBondContact O-N 3.33Å; L59-A62 PolarHBondContact O-N 3.42Å
60T49.3Very low43.9Very low108 Ų108135.1 Ų135.166%0.66378%0.775SS**G310 helixtrans-71.5-6.7176.421.20000115.1S58S58-T60 WeakPolarHBondContact CB-OG1 3.27Å; S58-T60 PolarHBondContact O-N 3.2Å; S58-T60 PolarHBondContact OG-OG1 2.95Å
61K49.4Very low43.9Very low181 Ų181136 Ų13679%0.78778%0.775SS**G310 helixtrans-94.3-2.6175.8-155.3154.3-178164.50114.7S58 L59S58-K61 PolarHBondContact O-N 3.36Å; L59-K61 PolarHBondContact O-N 3.33Å
62A49.5Very low44.4Very low82 Ų82133.8 Ų133.868%0.67877%0.767SS**SBendtrans-91.50.9176.200000114L59L59-A62 PolarHBondContact O-N 3.42Å
63L52.2Low44.4Very low153 Ų153131.6 Ų131.680%0.80176%0.761SS**  trans-131.931.1-172.4-68.9174.4000114.3
64L46.5Very low44.9Very low138 Ų138128.8 Ų128.872%0.72376%0.762SS**  trans-100.2130.8168.2-73.3174.5000111.2L66L64-L66 PolarHBondContact O-N 2.91Å
65P42.5Very low45.4Very low109 Ų109125.6 Ų125.671%0.70875%0.748SS**  trans-67132.7-173.1-12.527.2000110.8V67P65-V67 PolarHBondContact O-N 2.96Å
66L44.6Very low45.6Very low167 Ų167127.1 Ų127.187%0.87475%0.751SS**  trans-61.7101.3165.8-78.685.5000108L64 D68L64-L66 PolarHBondContact O-N 2.91Å; L66-D68 PolarHBondContact O-N 2.9Å
67V43Very low45.6Very low128 Ų128130.8 Ų130.878%0.77674%0.741SS**  trans-71.1123.6164173.60000107.4P65 T69P65-V67 PolarHBondContact O-N 2.96Å; V67-T69 PolarHBondContact O-N 3.2Å
68D47.4Very low46Very low152 Ų152128.5 Ų128.581%0.81374%0.743SS**  trans-44.5113.9-177.6-63.9-75.2000113.5L66L66-D68 PolarHBondContact O-N 2.9Å
69T42.8Very low46Very low129 Ų129126.5 Ų126.579%0.79173%0.729SS**  trans-94.4117.6151.4-0.80000106.3V67 S71V67-T69 PolarHBondContact O-N 3.2Å; T69-S71 VanDerWaalsContact C-N 3.31Å; T69-S71 PolarHBondContact O-N 3Å
70P41.9Very low46.4Very low113 Ų113123.1 Ų123.173%0.73472%0.718SS**  trans-67.199.1175.126.6-30.9000107.4S72P70-S72 VanDerWaalsContact C-N 3.34Å; P70-S72 PolarHBondContact O-N 2.81Å
71S43.7Very low47.3Very low111 Ų111123.2 Ų123.278%0.77672%0.719SS**  trans-51.7106.4159.539.20000106T69T69-S71 VanDerWaalsContact C-N 3.31Å; T69-S71 PolarHBondContact O-N 3Å
72S50.5Low48.8Very low104 Ų104121.9 Ų121.973%0.72771%0.709SS**  trans-55.5127.2179.8-78.90000107.6P70 L74P70-S72 VanDerWaalsContact C-N 3.34Å; P70-S72 PolarHBondContact O-N 2.81Å; S72-L74 PolarHBondContact O-N 2.78Å
73P41.4Very low50.8Low102 Ų102120.5 Ų120.566%0.66269%0.687SS**  trans-59.2131.1-176.322-30.1000108V75P73-V75 HydrophobicContact CB-CG2 3.72Å; P73-V75 HydrophobicContact CG-CG2 3.76Å; P73-V75 PolarHBondContact O-N 3.42Å
74L46.6Very low52.6Low172 Ų172114.2 Ų114.290%0.90165%0.653SS**  trans-66.654.1164.3-62.9176.4000109.4S72 P76S72-L74 PolarHBondContact O-N 2.78Å; L74-P76 WeakPolarHBondContact O-CD 3.26Å
75V46.4Very low54.7Low90 Ų90109.7 Ų109.755%0.54563%0.631SS.*  trans-61128.3160-159.40000103.8P73 W77P73-V75 HydrophobicContact CB-CG2 3.72Å; P73-V75 HydrophobicContact CG-CG2 3.76Å; P73-V75 PolarHBondContact O-N 3.42Å; V75-W77 PolarHBondContact O-N 3.46Å
76P44.5Very low57Low116 Ų116106.6 Ų106.675%0.75361%0.614SS**  trans-58.188.8160.7-20.132.9000105.1L74 V78L74-P76 WeakPolarHBondContact O-CD 3.26Å; P76-V78 PolarHBondContact O-N 3.21Å
77W42.7Very low59.4Low153 Ų153102.7 Ų102.758%0.5859%0.594SS**  trans-58.9114.6-176.5-165.641.5000101.1V75 C79 Y83V75-W77 PolarHBondContact O-N 3.46Å; W77-C79 HydrophobicContact CB-CB 4.33Å; W77-C79 WeakPolarHBondContact CB-SG 3.07Å; W77-C79 HydrophobicContact CD2-CB 3.5Å; W77-C79 VanDerWaalsContact CD2-SG 3.5Å; W77-C79 HydrophobicContact CE3-CB 3.33Å; W77-C79 HydrophobicContact CG-CB 3.93Å; W77-C79 HydrophobicContact CZ3-CB 3.88Å; W77-C79 PolarHBondContact O-N 3.46Å; W77-C79 PolarHBondContact O-SG 3.14Å; W77-Y83 HydrophobicContact CE3-CD1 4.43Å; W77-Y83 AromaticContact CH2-CD1 3.41Å; W77-Y83 HydrophobicContact CH2-CD1 3.41Å; W77-Y83 VanDerWaalsContact CH2-CD1 3.41Å; W77-Y83 HydrophobicContact CH2-CD2 4.13Å; W77-Y83 AromaticContact CH2-CE1 3.34Å; W77-Y83 HydrophobicContact CH2-CE1 3.34Å; W77-Y83 HydrophobicContact CH2-CE2 4.11Å; W77-Y83 AromaticContact CH2-CG 3.77Å; W77-Y83 HydrophobicContact CH2-CG 3.77Å; W77-Y83 AromaticContact CH2-CZ 3.72Å; W77-Y83 AromaticContact CZ3-CD1 3.2Å; W77-Y83 HydrophobicContact CZ3-CD1 3.2Å; W77-Y83 AromaticContact CZ3-CE1 3.34Å; W77-Y83 HydrophobicContact CZ3-CE1 3.34Å; W77-Y83 AromaticContact CZ3-CG 3.92Å; W77-Y83 HydrophobicContact CZ3-CG 3.92Å
78V48.2Very low61.9Low147 Ų14796.9 Ų96.989%0.89156%0.559SS**  trans-69.361.7163-166.40000103.6P76 S80P76-V78 PolarHBondContact O-N 3.21Å; V78-S80 PolarHBondContact O-N 3.21Å
79C44.4Very low64.2Low43 Ų4395.1 Ų95.129%0.29155%0.554SS.*  trans-69.4130.6-176-3.40000103.5W77 T81W77-C79 HydrophobicContact CB-CB 4.33Å; W77-C79 WeakPolarHBondContact CB-SG 3.07Å; W77-C79 HydrophobicContact CD2-CB 3.5Å; W77-C79 VanDerWaalsContact CD2-SG 3.5Å; W77-C79 HydrophobicContact CE3-CB 3.33Å; W77-C79 HydrophobicContact CG-CB 3.93Å; W77-C79 HydrophobicContact CZ3-CB 3.88Å; W77-C79 PolarHBondContact O-N 3.46Å; W77-C79 PolarHBondContact O-SG 3.14Å; C79-T81 PolarHBondContact O-N 3.3Å
80S57.1Low66.8Low88 Ų8891.7 Ų91.762%0.61554%0.535SS*.  trans-30.8118.9157.6178.70000108.6V78 R82 Y83V78-S80 PolarHBondContact O-N 3.21Å; S80-R82 PolarHBondContact O-N 3.02Å; S80-Y83 PolarHBondContact O-N 2.96Å
81T67.6Low69.3Low109 Ų10990.6 Ų90.667%0.66952%0.517SS*.THydrogen-bonded Turntrans-57.84-172.152.90000114.4C79C79-T81 PolarHBondContact O-N 3.3Å
82R82Confident71.8Confident154 Ų15489.1 Ų89.158%0.58151%0.512SS*.THydrogen-bonded Turntrans-121.8-9.9-176.5-55.8-168.5-174.2-164.84114S80 K84 T85S80-R82 PolarHBondContact O-N 3.02Å; R82-K84 PolarHBondContact O-N 3Å; R82-T85 WeakPolarHBondContact CA-OG1 3Å; R82-T85 PolarHBondContact O-N 3.2Å; R82-T85 PolarHBondContact O-OG1 3.12Å
83Y90.7Very high73.9Confident53 Ų5388.5 Ų88.521%0.20851%0.512CS..THydrogen-bonded Turntrans-64128-179.5-176.5-98.5000110.7W77 S80 T85 Q104W77-Y83 HydrophobicContact CE3-CD1 4.43Å; W77-Y83 AromaticContact CH2-CD1 3.41Å; W77-Y83 HydrophobicContact CH2-CD1 3.41Å; W77-Y83 VanDerWaalsContact CH2-CD1 3.41Å; W77-Y83 HydrophobicContact CH2-CD2 4.13Å; W77-Y83 AromaticContact CH2-CE1 3.34Å; W77-Y83 HydrophobicContact CH2-CE1 3.34Å; W77-Y83 HydrophobicContact CH2-CE2 4.11Å; W77-Y83 AromaticContact CH2-CG 3.77Å; W77-Y83 HydrophobicContact CH2-CG 3.77Å; W77-Y83 AromaticContact CH2-CZ 3.72Å; W77-Y83 AromaticContact CZ3-CD1 3.2Å; W77-Y83 HydrophobicContact CZ3-CD1 3.2Å; W77-Y83 AromaticContact CZ3-CE1 3.34Å; W77-Y83 HydrophobicContact CZ3-CE1 3.34Å; W77-Y83 AromaticContact CZ3-CG 3.92Å; W77-Y83 HydrophobicContact CZ3-CG 3.92Å; S80-Y83 PolarHBondContact O-N 2.96Å; Y83-T85 PolarHBondContact O-N 3.3Å; Y83-T85 VanDerWaalsContact O-N 3.1Å; Y83-Q104 HydrophobicContact CD2-CB 4.28Å; Y83-Q104 HydrophobicContact CD2-CG 4.36Å; Y83-Q104 HydrophobicContact CE2-CG 4.49Å
84K90.9Very high76.4Confident20 Ų2087.5 Ų87.59%0.08751%0.508CS..THydrogen-bonded Turntrans51.130.3-177.3-67.4-174.8175.9-138.20114.2R82 Q104 A106 E111 L112 H113R82-K84 PolarHBondContact O-N 3Å; K84-Q104 WeakPolarHBondContact CA-O 3.38Å; K84-Q104 PolarHBondContact N-O 2.9Å; K84-A106 HydrophobicContact CB-CB 4.28Å; K84-E111 VanDerWaalsContact CB-O 3.28Å; K84-E111 WeakPolarHBondContact CB-O 3.38Å; K84-E111 HydrophobicContact CD-CB 4.18Å; K84-E111 IonicContact NZ-OE1 2.74Å; K84-E111 IonicContact NZ-OE2 3.26Å; K84-E111 PolarHBondContact NZ-OE2 3.3Å; K84-L112 CarbonylContact O-C 3.59Å; K84-L112 WeakPolarHBondContact O-CA 3.42Å; K84-H113 PolarHBondContact O-N 2.82Å
85T89.5Confident78.6Confident43 Ų4381.6 Ų81.626%0.26449%0.489SS..  trans-88.3-5.4178.759.50000114.7R82 Y83 H113 P115R82-T85 WeakPolarHBondContact CA-OG1 3Å; R82-T85 PolarHBondContact O-N 3.2Å; R82-T85 PolarHBondContact O-OG1 3.12Å; Y83-T85 PolarHBondContact O-N 3.3Å; Y83-T85 VanDerWaalsContact O-N 3.1Å; T85-H113 WeakPolarHBondContact CA-O 3.24Å; T85-P115 HydrophobicContact CG2-CB 3.78Å; T85-P115 HydrophobicContact CG2-CG 3.9Å
86A91.6Very high80.9Confident44 Ų4484.4 Ų84.436%0.36449%0.494SS..SBendtrans-141.7153.2176.200000109.7F105 A106A86-F105 HydrophobicContact CB-CD1 4.12Å; A86-F105 CarbonylContact O-C 3.57Å; A86-F105 WeakPolarHBondContact O-CA 3.36Å; A86-F105 WeakPolarHBondContact O-CB 3.16Å; A86-A106 PolarHBondContact O-N 3.25Å
87L94.5Very high83.4Confident85 Ų8579.1 Ų79.145%0.44546%0.46SS..BIsolated β-bridgetrans-71.5142.7178.7-66.7172.1000111.4T89 A106 L112L87-T89 PolarHBondContact O-N 2.94Å; L87-A106 CarbonylContact C-O 3.53Å; L87-A106 WeakPolarHBondContact CA-O 3.11Å; L87-A106 HydrophobicContact CD2-CB 4.18Å; L87-L112 HydrophobicContact CD2-CB 4.43Å; L87-L112 HydrophobicContact CD2-CD1 4.33Å; L87-L112 HydrophobicContact CD2-CD2 4.35Å; L87-L112 HydrophobicContact CG-CD1 4.35Å; L87-L112 HydrophobicContact CG-CD2 4.38Å
88C96.1Very high85.9Confident7 Ų779 Ų795%0.04746%0.463CS..  trans-74.7117.4176.6-178.10000109.9Y91 A92 C103 F105 A106C88-Y91 PolarHBondContact O-N 2.74Å; C88-A92 VanDerWaalsContact O-CB 3.26Å; C88-A92 WeakPolarHBondContact O-CB 3.4Å; C88-A92 PolarHBondContact O-N 3.04Å; C88-C103 VanDerWaalsContact SG-SG 3.69Å; C88-F105 HydrophobicContact CB-CB 3.67Å; C88-A106 PolarHBondContact N-O 3.38Å
89T95.7Very high88.1Confident114 Ų11478.4 Ų78.470%0.69945%0.446SS*.Hα-helixtrans-66-39.6-179.152.10000112.8L87 A92 A93L87-T89 PolarHBondContact O-N 2.94Å; T89-A92 PolarHBondContact O-N 3.24Å; T89-A93 VanDerWaalsContact O-CB 3.27Å; T89-A93 WeakPolarHBondContact O-CB 3.12Å; T89-A93 PolarHBondContact O-N 3.19Å
90S95.9Very high90.4Very high57 Ų5779 Ų7940%0.39945%0.453SS..Hα-helixtrans-62.6-47.6177.7-55.90000111.3A93 S94S90-A93 PolarHBondContact O-N 2.85Å; S90-S94 PolarHBondContact O-N 3.26Å; S90-S94 PolarHBondContact O-OG 3.02Å
91Y96.1Very high92Very high91 Ų9181.1 Ų81.136%0.35745%0.454SS..Hα-helixtrans-66.4-41177.8-166.4-91.5000111.9C88 A93 G95 C97 H107C88-Y91 PolarHBondContact O-N 2.74Å; Y91-A93 VanDerWaalsContact C-N 3.27Å; Y91-A93 PolarHBondContact O-N 3.1Å; Y91-G95 WeakPolarHBondContact CE2-O 3.47Å; Y91-G95 WeakPolarHBondContact O-CA 3.35Å; Y91-G95 PolarHBondContact O-N 3.01Å; Y91-C97 HydrophobicContact CD2-CB 3.95Å; Y91-H107 VanDerWaalsContact CB-CD2 3.4Å; Y91-H107 WeakPolarHBondContact CB-CD2 3.17Å; Y91-H107 HydrophobicContact CD1-CB 3.57Å; Y91-H107 AromaticContact CD1-CG 4Å; Y91-H107 WeakPolarHBondContact CD1-O 3.07Å; Y91-H107 HydrophobicContact CD2-CB 4.05Å; Y91-H107 AromaticContact CD2-CD2 3.75Å; Y91-H107 AromaticContact CD2-CG 3.66Å; Y91-H107 AromaticContact CD2-ND1 3.9Å; Y91-H107 HydrophobicContact CE1-CB 3.69Å; Y91-H107 WeakPolarHBondContact CE1-O 3.4Å; Y91-H107 HydrophobicContact CE2-CB 4.17Å; Y91-H107 HydrophobicContact CG-CB 3.74Å; Y91-H107 AromaticContact CG-CD2 3.5Å; Y91-H107 AromaticContact CG-CG 3.61Å
92A94.8Very high93.2Very high80 Ų8086.6 Ų86.666%0.66146%0.462SS*.Hα-helixtrans-63.2-33.3177.200000112.7C88 T89C88-A92 VanDerWaalsContact O-CB 3.26Å; C88-A92 WeakPolarHBondContact O-CB 3.4Å; C88-A92 PolarHBondContact O-N 3.04Å; T89-A92 PolarHBondContact O-N 3.24Å
93A95.1Very high93.8Very high90 Ų9079.3 Ų79.374%0.74444%0.435SS*.Hα-helixtrans-83.5-40.1-178.400000113.6T89 S90 Y91T89-A93 VanDerWaalsContact O-CB 3.27Å; T89-A93 WeakPolarHBondContact O-CB 3.12Å; T89-A93 PolarHBondContact O-N 3.19Å; S90-A93 PolarHBondContact O-N 2.85Å; Y91-A93 VanDerWaalsContact C-N 3.27Å; Y91-A93 PolarHBondContact O-N 3.1Å
94S93.7Very high93.9Very high81 Ų8183.3 Ų83.357%0.56646%0.456SS*.Hα-helixtrans-117-6.3-17267.20000114.7S90 F96S90-S94 PolarHBondContact O-N 3.26Å; S90-S94 PolarHBondContact O-OG 3.02Å; S94-F96 PolarHBondContact O-N 3.29Å; S94-F96 PolarHBondContact OG-N 2.78Å; S94-F96 PolarHBondContact OG-O 3.29Å
95G93.3Very high94.1Very high48 Ų4887.3 Ų87.350%0.49547%0.473SS..SBendtrans69.31.9-168.800000113.9Y91Y91-G95 WeakPolarHBondContact CE2-O 3.47Å; Y91-G95 WeakPolarHBondContact O-CA 3.35Å; Y91-G95 PolarHBondContact O-N 3.01Å
96F95.2Very high94.3Very high149 Ų14985.3 Ų85.365%0.65446%0.461SS*.  trans-131131.5-176.9178.4-99.2000111.7S94S94-F96 PolarHBondContact O-N 3.29Å; S94-F96 PolarHBondContact OG-N 2.78Å; S94-F96 PolarHBondContact OG-O 3.29Å
97C96.7Very high94.5Very high6 Ų684.3 Ų84.34%0.04145%0.448CS..  trans-122.1126.1175.8-177.70000110.5Y91 Y99 A100 C103 H107Y91-C97 HydrophobicContact CD2-CB 3.95Å; C97-Y99 PolarHBondContact O-N 2.95Å; C97-Y99 PolarHBondContact SG-N 3.2Å; C97-A100 PolarHBondContact O-N 3.06Å; C97-C103 VanDerWaalsContact SG-SG 3.68Å; C97-H107 WeakPolarHBondContact CB-NE2 3Å; C97-H107 PolarHBondContact SG-NE2 2.74Å
98K95.4Very high94.4Very high149 Ų14981.2 Ų81.265%0.64844%0.438SS*.THydrogen-bonded Turntrans-56.5-20.2175.161.8-175.8174174.40114.6
99Y93.4Very high94.1Very high136 Ų13687.2 Ų87.253%0.53347%0.469SS..THydrogen-bonded Turntrans-96.6-9.4-179.9-57.2-65.4000113.8C97 E101 R102 C103C97-Y99 PolarHBondContact O-N 2.95Å; C97-Y99 PolarHBondContact SG-N 3.2Å; Y99-E101 PolarHBondContact O-N 3.04Å; Y99-R102 PolarHBondContact O-N 3.48Å; Y99-C103 PolarHBondContact O-N 3.03Å
100A92.3Very high93.8Very high54 Ų5491.1 Ų91.145%0.44648%0.478SS..G310 helixtrans43.4-135.6-178.500000111.7C97 R102 C103 H107C97-A100 PolarHBondContact O-N 3.06Å; A100-R102 PolarHBondContact O-N 3.44Å; A100-C103 VanDerWaalsContact O-CB 3.24Å; A100-C103 WeakPolarHBondContact O-CB 3.4Å; A100-C103 PolarHBondContact O-N 3.28Å; A100-H107 PolarHBondContact O-CE1 2.81Å
101E91.6Very high93.6Very high133 Ų13390.5 Ų90.562%0.62147%0.469SS*.G310 helixtrans-60.9-17.3-178.4-58.2-49.4129.300115.1Y99 C103Y99-E101 PolarHBondContact O-N 3.04Å; E101-C103 VanDerWaalsContact C-N 3.27Å
102R92.8Very high93.5Very high224 Ų22488.9 Ų88.985%0.84547%0.466SS*.G310 helixtrans-87.93.8176.7-59.2-179.6-174.3149.41.7112.5Y99 A100 Q104Y99-R102 PolarHBondContact O-N 3.48Å; A100-R102 PolarHBondContact O-N 3.44Å; R102-Q104 PolarHBondContact O-N 3.42Å
103C94.7Very high93.1Very high2 Ų289.7 Ų89.71%0.01446%0.456CS..  trans-60.5129.8175.8-163.20000110.1C88 C97 Y99 A100 E101 F105 H107C88-C103 VanDerWaalsContact SG-SG 3.69Å; C97-C103 VanDerWaalsContact SG-SG 3.68Å; Y99-C103 PolarHBondContact O-N 3.03Å; A100-C103 VanDerWaalsContact O-CB 3.24Å; A100-C103 WeakPolarHBondContact O-CB 3.4Å; A100-C103 PolarHBondContact O-N 3.28Å; E101-C103 VanDerWaalsContact C-N 3.27Å; C103-F105 PolarHBondContact O-N 2.92Å; C103-H107 VanDerWaalsContact CB-NE2 3.35Å; C103-H107 WeakPolarHBondContact CB-NE2 3.29Å
104Q93.2Very high92.4Very high137 Ų13791.7 Ų91.764%0.6446%0.459SS*.SBendtrans-72.8-8.8175.2-63.7-176.82.400112.8Y83 K84 R102Y83-Q104 HydrophobicContact CD2-CB 4.28Å; Y83-Q104 HydrophobicContact CD2-CG 4.36Å; Y83-Q104 HydrophobicContact CE2-CG 4.49Å; K84-Q104 WeakPolarHBondContact CA-O 3.38Å; K84-Q104 PolarHBondContact N-O 2.9Å; R102-Q104 PolarHBondContact O-N 3.42Å
105F94.1Very high91.5Very high104 Ų10489.4 Ų89.446%0.45644%0.442SS..SBendtrans-110.4151.7177.7-58.7-79.1000109.4A86 C88 C103A86-F105 HydrophobicContact CB-CD1 4.12Å; A86-F105 CarbonylContact O-C 3.57Å; A86-F105 WeakPolarHBondContact O-CA 3.36Å; A86-F105 WeakPolarHBondContact O-CB 3.16Å; C88-F105 HydrophobicContact CB-CB 3.67Å; C103-F105 PolarHBondContact O-N 2.92Å
106A94.8Very high90.5Very high0 Ų095.9 Ų95.90%046%0.457CS..BIsolated β-bridgetrans-75.7132.5-178.300000111.1K84 A86 L87 C88 G108 E111 L112K84-A106 HydrophobicContact CB-CB 4.28Å; A86-A106 PolarHBondContact O-N 3.25Å; L87-A106 CarbonylContact C-O 3.53Å; L87-A106 WeakPolarHBondContact CA-O 3.11Å; L87-A106 HydrophobicContact CD2-CB 4.18Å; C88-A106 PolarHBondContact N-O 3.38Å; A106-G108 VanDerWaalsContact C-N 3.26Å; A106-E111 HydrophobicContact CB-CB 3.79Å; A106-L112 HydrophobicContact CB-CB 3.9Å; A106-L112 HydrophobicContact CB-CD1 3.94Å
107H95.6Very high89.7Confident23 Ų2393.9 Ų93.911%0.10645%0.445CS..SBendtrans-79.7-7.8174.7-70.2162.9000113.7Y91 C97 A100 C103 E111Y91-H107 VanDerWaalsContact CB-CD2 3.4Å; Y91-H107 WeakPolarHBondContact CB-CD2 3.17Å; Y91-H107 HydrophobicContact CD1-CB 3.57Å; Y91-H107 AromaticContact CD1-CG 4Å; Y91-H107 WeakPolarHBondContact CD1-O 3.07Å; Y91-H107 HydrophobicContact CD2-CB 4.05Å; Y91-H107 AromaticContact CD2-CD2 3.75Å; Y91-H107 AromaticContact CD2-CG 3.66Å; Y91-H107 AromaticContact CD2-ND1 3.9Å; Y91-H107 HydrophobicContact CE1-CB 3.69Å; Y91-H107 WeakPolarHBondContact CE1-O 3.4Å; Y91-H107 HydrophobicContact CE2-CB 4.17Å; Y91-H107 HydrophobicContact CG-CB 3.74Å; Y91-H107 AromaticContact CG-CD2 3.5Å; Y91-H107 AromaticContact CG-CG 3.61Å; C97-H107 WeakPolarHBondContact CB-NE2 3Å; C97-H107 PolarHBondContact SG-NE2 2.74Å; A100-H107 PolarHBondContact O-CE1 2.81Å; C103-H107 VanDerWaalsContact CB-NE2 3.35Å; C103-H107 WeakPolarHBondContact CB-NE2 3.29Å; H107-E111 IonicContact CG-OE2 3.91Å; H107-E111 PolarHBondContact N-OE2 2.91Å
108G91.8Very high88.8Confident21 Ų2199.2 Ų99.222%0.21647%0.469CS..SBendtrans-170.7-177.9172.400000110.8A106 H110 E111 L112A106-G108 VanDerWaalsContact C-N 3.26Å; G108-H110 PolarHBondContact O-N 2.99Å; G108-E111 PolarHBondContact O-N 3.37Å; G108-E111 VanDerWaalsContact O-N 3.14Å; G108-L112 PolarHBondContact O-N 3.09Å
109L90.4Very high88.1Confident133 Ų13396.6 Ų96.670%0.69647%0.467SS*.G310 helixtrans-61-33.6179-62.3178.9000112.5E111 L112L109-E111 PolarHBondContact O-N 3.45Å; L109-L112 HydrophobicContact CD2-CD2 4.02Å; L109-L112 WeakPolarHBondContact O-CB 3.35Å; L109-L112 PolarHBondContact O-N 2.94Å
110H89.1Confident87.6Confident195 Ų19596.9 Ų96.990%0.90347%0.471SS*.G310 helixtrans-60.4-27.1177.5-52.3100.4000113.5G108G108-H110 PolarHBondContact O-N 2.99Å
111E92.8Very high87.4Confident44 Ų4496 Ų9621%0.20646%0.457CS..G310 helixtrans-100.6-9178.3-69.7-174.8-173.400112.6K84 A106 H107 G108 L109 H113K84-E111 VanDerWaalsContact CB-O 3.28Å; K84-E111 WeakPolarHBondContact CB-O 3.38Å; K84-E111 HydrophobicContact CD-CB 4.18Å; K84-E111 IonicContact NZ-OE1 2.74Å; K84-E111 IonicContact NZ-OE2 3.26Å; K84-E111 PolarHBondContact NZ-OE2 3.3Å; A106-E111 HydrophobicContact CB-CB 3.79Å; H107-E111 IonicContact CG-OE2 3.91Å; H107-E111 PolarHBondContact N-OE2 2.91Å; G108-E111 PolarHBondContact O-N 3.37Å; G108-E111 VanDerWaalsContact O-N 3.14Å; L109-E111 PolarHBondContact O-N 3.45Å; E111-H113 PolarHBondContact O-CD2 3.04Å; E111-H113 PolarHBondContact O-N 2.84Å
112L92.4Very high87.3Confident58 Ų5890.8 Ų90.830%0.30443%0.432SS..  trans-79.3110.7-172.5-174.768.6000110.2K84 L87 A106 G108 L109K84-L112 CarbonylContact O-C 3.59Å; K84-L112 WeakPolarHBondContact O-CA 3.42Å; L87-L112 HydrophobicContact CD2-CB 4.43Å; L87-L112 HydrophobicContact CD2-CD1 4.33Å; L87-L112 HydrophobicContact CD2-CD2 4.35Å; L87-L112 HydrophobicContact CG-CD1 4.35Å; L87-L112 HydrophobicContact CG-CD2 4.38Å; A106-L112 HydrophobicContact CB-CB 3.9Å; A106-L112 HydrophobicContact CB-CD1 3.94Å; G108-L112 PolarHBondContact O-N 3.09Å; L109-L112 HydrophobicContact CD2-CD2 4.02Å; L109-L112 WeakPolarHBondContact O-CB 3.35Å; L109-L112 PolarHBondContact O-N 2.94Å
113H87.6Confident87.1Confident97 Ų9781.3 Ų81.345%0.44940%0.399SS..  trans-87125.8177.6-72.4-154.6000109.9K84 T85 E111 P115K84-H113 PolarHBondContact O-N 2.82Å; T85-H113 WeakPolarHBondContact CA-O 3.24Å; E111-H113 PolarHBondContact O-CD2 3.04Å; E111-H113 PolarHBondContact O-N 2.84Å; H113-P115 WeakPolarHBondContact O-CD 3.48Å
114V79.3Confident86.9Confident132 Ų13286.8 Ų86.880%0.842%0.424SS*.  trans-72.6115.1167.8-178.60000107.7F116V114-F116 PolarHBondContact O-N 3.16Å; V114-F116 VanDerWaalsContact O-N 3.14Å
115P75.4Confident87Confident32 Ų3285.4 Ų85.421%0.20842%0.421CS..  trans-61.8124-178.613.8-20.4000110.1T85 H113 R117T85-P115 HydrophobicContact CG2-CB 3.78Å; T85-P115 HydrophobicContact CG2-CG 3.9Å; H113-P115 WeakPolarHBondContact O-CD 3.48Å; P115-R117 PolarHBondContact O-N 3.49Å
116F71.6Confident87Confident185 Ų18580.7 Ų80.781%0.81140%0.401SS*.  trans-63.6110.6170.7-177.7-97.9000108.4V114V114-F116 PolarHBondContact O-N 3.16Å; V114-F116 VanDerWaalsContact O-N 3.14Å
117R77.9Confident87Confident107 Ų10790.5 Ų90.540%0.40444%0.438SS..  trans-99.1138.6176.9-63.9-166.6178.480.4-7.3109.2P115 Y121P115-R117 PolarHBondContact O-N 3.49Å; R117-Y121 HydrophobicContact CB-CD1 4.29Å; R117-Y121 HydrophobicContact CB-CG 4.08Å; R117-Y121 HydrophobicContact CG-CD1 4.42Å; R117-Y121 HydrophobicContact CG-CG 4.41Å
118H78.6Confident87Confident118 Ų11893.4 Ų93.455%0.54645%0.454SS..  trans-54.1142.8175.3-174.4-92.3000110.2K120 Y121H118-K120 WeakPolarHBondContact ND1-CB 3.48Å; H118-K120 PolarHBondContact ND1-N 3.09Å; H118-K120 VanDerWaalsContact ND1-N 3.1Å; H118-K120 PolarHBondContact O-N 3.04Å; H118-Y121 VanDerWaalsContact O-CB 3.23Å; H118-Y121 WeakPolarHBondContact O-CB 3.28Å; H118-Y121 PolarHBondContact O-N 3.07Å
119P80.3Confident87.2Confident94 Ų9496.6 Ų96.661%0.6146%0.46SS*.THydrogen-bonded Turntrans-54.9-19.5-179.5-29.535.6000115.5T123P119-T123 WeakPolarHBondContact O-CG2 3.06Å
120K82.9Confident87.4Confident141 Ų14195.2 Ų95.261%0.61345%0.45SS*.THydrogen-bonded Turntrans-87.91175.5-60.7179-177.3-177.60114.6H118 K122 T123H118-K120 WeakPolarHBondContact ND1-CB 3.48Å; H118-K120 PolarHBondContact ND1-N 3.09Å; H118-K120 VanDerWaalsContact ND1-N 3.1Å; H118-K120 PolarHBondContact O-N 3.04Å; K120-K122 PolarHBondContact O-N 2.85Å; K120-T123 VanDerWaalsContact C-OG1 3.28Å; K120-T123 WeakPolarHBondContact CA-OG1 3.41Å; K120-T123 PolarHBondContact O-N 3.32Å; K120-T123 PolarHBondContact O-OG1 2.7Å
121Y88.7Confident87.7Confident37 Ų3790.9 Ų90.915%0.14544%0.437CS..THydrogen-bonded Turntrans-62.5126.9179.6176.3-103.6000111.5R117 H118 T123 L142R117-Y121 HydrophobicContact CB-CD1 4.29Å; R117-Y121 HydrophobicContact CB-CG 4.08Å; R117-Y121 HydrophobicContact CG-CD1 4.42Å; R117-Y121 HydrophobicContact CG-CG 4.41Å; H118-Y121 VanDerWaalsContact O-CB 3.23Å; H118-Y121 WeakPolarHBondContact O-CB 3.28Å; H118-Y121 PolarHBondContact O-N 3.07Å; Y121-T123 PolarHBondContact O-N 3.44Å; Y121-L142 HydrophobicContact CD2-CB 4.29Å; Y121-L142 HydrophobicContact CD2-CD2 3.78Å; Y121-L142 HydrophobicContact CE2-CD2 3.8Å
122K88.9Confident87.8Confident22 Ų2293.4 Ų93.410%0.09646%0.456CS..THydrogen-bonded Turntrans51.538.3-177.6-68.3-177.9175.3-112.50113.1K120 L142 V144 E149 R151K120-K122 PolarHBondContact O-N 2.85Å; K122-L142 WeakPolarHBondContact CA-O 3.46Å; K122-L142 PolarHBondContact N-O 2.79Å; K122-V144 HydrophobicContact CB-CG2 3.96Å; K122-V144 WeakPolarHBondContact O-CG2 3.5Å; K122-E149 WeakPolarHBondContact CB-O 3.35Å; K122-E149 HydrophobicContact CD-CB 4.14Å; K122-E149 IonicContact NZ-OE1 3.44Å; K122-E149 PolarHBondContact NZ-OE1 3.36Å; K122-E149 IonicContact NZ-OE2 3.65Å; K122-E149 PolarHBondContact NZ-OE2 3.08Å; K122-R151 PolarHBondContact O-N 3.22Å
123T89.1Confident87.8Confident25 Ų2593.3 Ų93.315%0.15347%0.469CS..  trans-102-18.7176.362.30000113.3P119 K120 Y121 V153P119-T123 WeakPolarHBondContact O-CG2 3.06Å; K120-T123 VanDerWaalsContact C-OG1 3.28Å; K120-T123 WeakPolarHBondContact CA-OG1 3.41Å; K120-T123 PolarHBondContact O-N 3.32Å; K120-T123 PolarHBondContact O-OG1 2.7Å; Y121-T123 PolarHBondContact O-N 3.44Å; T123-V153 HydrophobicContact CG2-CG2 3.5Å; T123-V153 VanDerWaalsContact CG2-CG2 3.5Å
124E91.2Very high88.2Confident117 Ų11795.1 Ų95.155%0.54747%0.473SS..SBendtrans-124.7146.6-179.2-68.1178-173.800109.8F143 V144E124-F143 HydrophobicContact CB-CD1 4.07Å; E124-F143 HydrophobicContact CB-CE1 4.46Å; E124-F143 CarbonylContact O-C 3.59Å; E124-F143 WeakPolarHBondContact O-CA 3.3Å; E124-F143 WeakPolarHBondContact O-CB 3.42Å; E124-V144 WeakPolarHBondContact O-CG2 3.35Å; E124-V144 PolarHBondContact O-N 2.84Å
125L93.9Very high89Confident108 Ų10889.1 Ų89.157%0.56544%0.437SS*.BIsolated β-bridgetrans-66.9139.3178.9-65.4169.7000111.1R127 V144L125-R127 PolarHBondContact O-N 2.96Å; L125-V144 HydrophobicContact CD2-CB 4.07Å; L125-V144 HydrophobicContact CD2-CG1 3.96Å
126C95.4Very high89.9Confident6 Ų695 Ų954%0.04146%0.459CS..  trans-71.8113174.2-176.20000109.5N128 Y129 H130 F143 V144 H145C126-N128 PolarHBondContact O-N 3.18Å; C126-Y129 PolarHBondContact O-N 2.74Å; C126-H130 PolarHBondContact O-CD2 3.31Å; C126-H130 PolarHBondContact O-N 2.75Å; C126-H130 VanDerWaalsContact O-N 3.09Å; C126-F143 VanDerWaalsContact CA-CB 3.5Å; C126-F143 HydrophobicContact CB-CB 3.62Å; C126-V144 WeakPolarHBondContact CB-O 3.38Å; C126-V144 PolarHBondContact N-O 3.1Å; C126-H145 WeakPolarHBondContact CB-CD2 3.31Å
127R94.9Very high90.7Very high205 Ų20593.6 Ų93.677%0.77445%0.45SS*.Hα-helixtrans-59-48.1-179.7-168.8174.3-177.81740.6112.3L125 H130 T131L125-R127 PolarHBondContact O-N 2.96Å; R127-H130 PolarHBondContact O-N 3.14Å; R127-T131 WeakPolarHBondContact O-CB 3.44Å; R127-T131 PolarHBondContact O-N 2.94Å; R127-T131 PolarHBondContact O-OG1 3.46Å
128N95.1Very high91.3Very high85 Ų8590.1 Ų90.146%0.45545%0.447SS..Hα-helixtrans-61.2-50.5-179.4-75.130.8000111.4C126 H130 T131 T132C126-N128 PolarHBondContact O-N 3.18Å; N128-H130 VanDerWaalsContact C-N 3.3Å; N128-H130 PolarHBondContact O-N 3.06Å; N128-T131 PolarHBondContact O-N 3.33Å; N128-T131 VanDerWaalsContact O-N 3.15Å; N128-T132 PolarHBondContact O-N 2.66Å; N128-T132 PolarHBondContact O-OG1 3.15Å
129Y95.8Very high91.7Very high87 Ų8787.5 Ų87.534%0.34145%0.452SS..Hα-helixtrans-56.4-44.5178.9-172.1-101000112.6C126 G133 C135 H145C126-Y129 PolarHBondContact O-N 2.74Å; Y129-G133 CarbonylContact O-C 3.47Å; Y129-G133 WeakPolarHBondContact O-CA 3.11Å; Y129-G133 PolarHBondContact O-N 3.38Å; Y129-C135 HydrophobicContact CD2-CB 4.11Å; Y129-H145 VanDerWaalsContact CB-CD2 3.41Å; Y129-H145 WeakPolarHBondContact CB-CD2 3.33Å; Y129-H145 HydrophobicContact CD1-CB 3.6Å; Y129-H145 AromaticContact CD1-CG 3.84Å; Y129-H145 WeakPolarHBondContact CD1-O 3.43Å; Y129-H145 HydrophobicContact CD2-CB 4.21Å; Y129-H145 AromaticContact CD2-CG 3.77Å; Y129-H145 AromaticContact CD2-ND1 3.79Å; Y129-H145 HydrophobicContact CE1-CB 3.69Å; Y129-H145 WeakPolarHBondContact CE1-O 3.39Å; Y129-H145 HydrophobicContact CE2-CB 4.3Å; Y129-H145 HydrophobicContact CG-CB 3.87Å; Y129-H145 AromaticContact CG-CD2 3.56Å; Y129-H145 AromaticContact CG-CG 3.55Å
130H94.6Very high92Very high104 Ų10491.4 Ų91.448%0.48145%0.454SS..Hα-helixtrans-79.8-17.1-179.2-78.1-80.5000114.6C126 R127 N128 H145C126-H130 PolarHBondContact O-CD2 3.31Å; C126-H130 PolarHBondContact O-N 2.75Å; C126-H130 VanDerWaalsContact O-N 3.09Å; R127-H130 PolarHBondContact O-N 3.14Å; N128-H130 VanDerWaalsContact C-N 3.3Å; N128-H130 PolarHBondContact O-N 3.06Å; H130-H145 PolarHBondContact NE2-O 2.91Å
131T96.3Very high92.4Very high104 Ų10484.9 Ų84.964%0.63843%0.426SS*.Hα-helixtrans-93.7-43.3178.5-52.60000111.4R127 N128R127-T131 WeakPolarHBondContact O-CB 3.44Å; R127-T131 PolarHBondContact O-N 2.94Å; R127-T131 PolarHBondContact O-OG1 3.46Å; N128-T131 PolarHBondContact O-N 3.33Å; N128-T131 VanDerWaalsContact O-N 3.15Å
132T94.1Very high92.5Very high97 Ų9788.4 Ų88.460%0.59545%0.447SS*.Hα-helixtrans-107.2-4-174.4620000113.2N128 Y134N128-T132 PolarHBondContact O-N 2.66Å; N128-T132 PolarHBondContact O-OG1 3.15Å; T132-Y134 PolarHBondContact O-N 2.86Å; T132-Y134 PolarHBondContact OG1-O 2.82Å
133G92.8Very high92.7Very high56 Ų5691.9 Ų91.958%0.57746%0.462SS*.SBendtrans75.3-2.1-176.100000114.5Y129Y129-G133 CarbonylContact O-C 3.47Å; Y129-G133 WeakPolarHBondContact O-CA 3.11Å; Y129-G133 PolarHBondContact O-N 3.38Å
134Y94.7Very high92.9Very high136 Ų13690.7 Ų90.753%0.53346%0.455SS..  trans-145.3145.3-174.4175.5-102.2000111.7T132 F136T132-Y134 PolarHBondContact O-N 2.86Å; T132-Y134 PolarHBondContact OG1-O 2.82Å; Y134-F136 HydrophobicContact CD1-CD1 4.43Å; Y134-F136 HydrophobicContact CD1-CE1 4.34Å; Y134-F136 AromaticContact CE1-CD1 3.53Å; Y134-F136 HydrophobicContact CE1-CD1 3.53Å; Y134-F136 AromaticContact CE1-CE1 3.7Å; Y134-F136 HydrophobicContact CE1-CE1 3.7Å; Y134-F136 AromaticContact CE1-CG 3.99Å; Y134-F136 HydrophobicContact CE1-CG 3.99Å; Y134-F136 HydrophobicContact CE1-CZ 4.3Å
135C96.3Very high93.1Very high5 Ų586 Ų863%0.03443%0.433CS..  trans-134.4122.9177.8175.50000109.9Y129 Y137 G138 H145Y129-C135 HydrophobicContact CD2-CB 4.11Å; C135-Y137 PolarHBondContact O-N 3.44Å; C135-G138 PolarHBondContact O-N 3.28Å; C135-H145 WeakPolarHBondContact CB-CE1 3.42Å; C135-H145 WeakPolarHBondContact CB-NE2 3.39Å; C135-H145 VanDerWaalsContact SG-CE1 3.57Å; C135-H145 PolarHBondContact SG-NE2 3.2Å
136F93.9Very high92.9Very high155 Ų15582.8 Ų82.868%0.6842%0.42SS*.THydrogen-bonded Turntrans-58.4-20.9-179.8-58.4-80.1000114Y134Y134-F136 HydrophobicContact CD1-CD1 4.43Å; Y134-F136 HydrophobicContact CD1-CE1 4.34Å; Y134-F136 AromaticContact CE1-CD1 3.53Å; Y134-F136 HydrophobicContact CE1-CD1 3.53Å; Y134-F136 AromaticContact CE1-CE1 3.7Å; Y134-F136 HydrophobicContact CE1-CE1 3.7Å; Y134-F136 AromaticContact CE1-CG 3.99Å; Y134-F136 HydrophobicContact CE1-CG 3.99Å; Y134-F136 HydrophobicContact CE1-CZ 4.3Å
137Y90.1Very high92.5Very high157 Ų15788 Ų8862%0.61645%0.453SS*.THydrogen-bonded Turntrans-84.3-15.2177.9-58.3-71.3000113.5C135 R140C135-Y137 PolarHBondContact O-N 3.44Å; Y137-R140 WeakPolarHBondContact O-CB 3.38Å; Y137-R140 PolarHBondContact O-N 3.49Å; Y137-R140 VanDerWaalsContact O-N 3.07Å
138G90.4Very high92.1Very high33 Ų3384.8 Ų84.834%0.3446%0.457SS..G310 helixtrans51.4-137.6-178.800000112.7C135 R140 C141 H145C135-G138 PolarHBondContact O-N 3.28Å; G138-R140 PolarHBondContact O-N 2.69Å; G138-R140 VanDerWaalsContact O-N 3.09Å; G138-C141 WeakPolarHBondContact O-CB 3.19Å; G138-C141 PolarHBondContact O-N 3.25Å; G138-H145 PolarHBondContact O-CE1 3.5Å
139G86.9Confident91.8Very high63 Ų6383.7 Ų83.765%0.64945%0.449SS*.G310 helixtrans-65.7-8178.300000115.3C141G139-C141 VanDerWaalsContact C-N 3.33Å
140R86.3Confident91.4Very high177 Ų17784.7 Ų84.767%0.66846%0.458SS*.G310 helixtrans-90.20.5173.7-58.1-177.3-63-176.31.9112.6Y137 G138 L142Y137-R140 WeakPolarHBondContact O-CB 3.38Å; Y137-R140 PolarHBondContact O-N 3.49Å; Y137-R140 VanDerWaalsContact O-N 3.07Å; G138-R140 PolarHBondContact O-N 2.69Å; G138-R140 VanDerWaalsContact O-N 3.09Å; R140-L142 PolarHBondContact O-N 3.3Å
141C92.1Very high90.8Very high4 Ų486.2 Ų86.23%0.02746%0.46CS..  trans-58.7137.7175.9-160.60000110.3G138 G139 F143 H145G138-C141 WeakPolarHBondContact O-CB 3.19Å; G138-C141 PolarHBondContact O-N 3.25Å; G139-C141 VanDerWaalsContact C-N 3.33Å; C141-F143 PolarHBondContact O-N 3.34Å; C141-H145 VanDerWaalsContact CB-NE2 3.31Å; C141-H145 WeakPolarHBondContact CB-NE2 3.37Å; C141-H145 PolarHBondContact SG-NE2 3.1Å
142L90.7Very high89.6Confident111 Ų11188.4 Ų88.458%0.58146%0.462SS*.SBendtrans-78.7-10.8176.1-57.1176.2000112Y121 K122 R140Y121-L142 HydrophobicContact CD2-CB 4.29Å; Y121-L142 HydrophobicContact CD2-CD2 3.78Å; Y121-L142 HydrophobicContact CE2-CD2 3.8Å; K122-L142 WeakPolarHBondContact CA-O 3.46Å; K122-L142 PolarHBondContact N-O 2.79Å; R140-L142 PolarHBondContact O-N 3.3Å
143F93Very high88.5Confident94 Ų9487.3 Ų87.341%0.41246%0.455SS..SBendtrans-108.4161.3-179-57.8-78.2000110.3E124 C126 C141E124-F143 HydrophobicContact CB-CD1 4.07Å; E124-F143 HydrophobicContact CB-CE1 4.46Å; E124-F143 CarbonylContact O-C 3.59Å; E124-F143 WeakPolarHBondContact O-CA 3.3Å; E124-F143 WeakPolarHBondContact O-CB 3.42Å; C126-F143 VanDerWaalsContact CA-CB 3.5Å; C126-F143 HydrophobicContact CB-CB 3.62Å; C141-F143 PolarHBondContact O-N 3.34Å
144V93.5Very high87.1Confident0 Ų091.6 Ų91.60%046%0.461CS..BIsolated β-bridgetrans-79.3127.3-172.9179.90000110.3K122 E124 L125 C126 S146 E149 M150K122-V144 HydrophobicContact CB-CG2 3.96Å; K122-V144 WeakPolarHBondContact O-CG2 3.5Å; E124-V144 WeakPolarHBondContact O-CG2 3.35Å; E124-V144 PolarHBondContact O-N 2.84Å; L125-V144 HydrophobicContact CD2-CB 4.07Å; L125-V144 HydrophobicContact CD2-CG1 3.96Å; C126-V144 WeakPolarHBondContact CB-O 3.38Å; C126-V144 PolarHBondContact N-O 3.1Å; V144-S146 WeakPolarHBondContact CG1-O 3.46Å; V144-E149 HydrophobicContact CG1-CB 4.36Å; V144-M150 HydrophobicContact CG1-CB 4Å; V144-M150 HydrophobicContact CG2-CB 4.14Å; V144-M150 HydrophobicContact CG2-CG 4.16Å
145H94.3Very high85.6Confident19 Ų1991.1 Ų91.19%0.08846%0.458CS..SBendtrans-98.3-35.6170.5-69.7175.9000112.1C126 Y129 H130 C135 G138 C141 E149C126-H145 WeakPolarHBondContact CB-CD2 3.31Å; Y129-H145 VanDerWaalsContact CB-CD2 3.41Å; Y129-H145 WeakPolarHBondContact CB-CD2 3.33Å; Y129-H145 HydrophobicContact CD1-CB 3.6Å; Y129-H145 AromaticContact CD1-CG 3.84Å; Y129-H145 WeakPolarHBondContact CD1-O 3.43Å; Y129-H145 HydrophobicContact CD2-CB 4.21Å; Y129-H145 AromaticContact CD2-CG 3.77Å; Y129-H145 AromaticContact CD2-ND1 3.79Å; Y129-H145 HydrophobicContact CE1-CB 3.69Å; Y129-H145 WeakPolarHBondContact CE1-O 3.39Å; Y129-H145 HydrophobicContact CE2-CB 4.3Å; Y129-H145 HydrophobicContact CG-CB 3.87Å; Y129-H145 AromaticContact CG-CD2 3.56Å; Y129-H145 AromaticContact CG-CG 3.55Å; H130-H145 PolarHBondContact NE2-O 2.91Å; C135-H145 WeakPolarHBondContact CB-CE1 3.42Å; C135-H145 WeakPolarHBondContact CB-NE2 3.39Å; C135-H145 VanDerWaalsContact SG-CE1 3.57Å; C135-H145 PolarHBondContact SG-NE2 3.2Å; G138-H145 PolarHBondContact O-CE1 3.5Å; C141-H145 VanDerWaalsContact CB-NE2 3.31Å; C141-H145 WeakPolarHBondContact CB-NE2 3.37Å; C141-H145 PolarHBondContact SG-NE2 3.1Å; H145-E149 PolarHBondContact N-OE2 3.28Å
146S90.4Very high84.2Confident41 Ų4198.2 Ų98.229%0.28749%0.49SS..SBendtrans-128.2150.5177.169.50000111.1V144 T148 E149V144-S146 WeakPolarHBondContact CG1-O 3.46Å; S146-T148 PolarHBondContact O-N 3Å; S146-T148 VanDerWaalsContact O-N 3.12Å; S146-E149 WeakPolarHBondContact O-CB 3.23Å; S146-E149 PolarHBondContact O-N 2.63Å; S146-E149 WeakPolarHBondContact OG-CG 3.4Å
147P86.3Confident82.6Confident114 Ų11496.2 Ų96.274%0.7448%0.478SS*.G310 helixtrans-56.5-30.9-179.6-24.233.3000113.6E149 M150P147-E149 PolarHBondContact O-N 2.79Å; P147-M150 VanDerWaalsContact O-CB 3.29Å; P147-M150 WeakPolarHBondContact O-CB 3.42Å; P147-M150 PolarHBondContact O-N 2.68Å
148T87.6Confident81.5Confident138 Ų13896 Ų9685%0.84748%0.476SS*.G310 helixtrans-59.8-28.4176.1-43.50000112.8S146S146-T148 PolarHBondContact O-N 3Å; S146-T148 VanDerWaalsContact O-N 3.12Å
149E87.8Confident80.5Confident62 Ų62101.5 Ų101.529%0.2950%0.498SS..G310 helixtrans-86.2-9.3178.6-65.3-174.315000113.4K122 V144 H145 S146 P147 R151K122-E149 WeakPolarHBondContact CB-O 3.35Å; K122-E149 HydrophobicContact CD-CB 4.14Å; K122-E149 IonicContact NZ-OE1 3.44Å; K122-E149 PolarHBondContact NZ-OE1 3.36Å; K122-E149 IonicContact NZ-OE2 3.65Å; K122-E149 PolarHBondContact NZ-OE2 3.08Å; V144-E149 HydrophobicContact CG1-CB 4.36Å; H145-E149 PolarHBondContact N-OE2 3.28Å; S146-E149 WeakPolarHBondContact O-CB 3.23Å; S146-E149 PolarHBondContact O-N 2.63Å; S146-E149 WeakPolarHBondContact OG-CG 3.4Å; P147-E149 PolarHBondContact O-N 2.79Å; E149-R151 PolarHBondContact O-N 3.3Å
150M87.2Confident80.3Confident109 Ų109102.8 Ų102.854%0.53749%0.489SS..  trans-70.9112.8-174.3-168.2164.388.200110.9V144 P147V144-M150 HydrophobicContact CG1-CB 4Å; V144-M150 HydrophobicContact CG2-CB 4.14Å; V144-M150 HydrophobicContact CG2-CG 4.16Å; P147-M150 VanDerWaalsContact O-CB 3.29Å; P147-M150 WeakPolarHBondContact O-CB 3.42Å; P147-M150 PolarHBondContact O-N 2.68Å
151R81.7Confident80.2Confident136 Ų13696.8 Ų96.851%0.51347%0.473SS..  trans-82.1123.3172.3-173.4174.7-75.2-160.2-6.1108.7K122 E149 V153K122-R151 PolarHBondContact O-N 3.22Å; E149-R151 PolarHBondContact O-N 3.3Å; R151-V153 PolarHBondContact O-N 2.81Å
152Q72.6Confident80Confident149 Ų14996.8 Ų96.870%0.69647%0.473SS*.  trans-61.1123.2168.9-72-173.7-2.500108.7Q154Q152-Q154 PolarHBondContact O-N 2.92Å
153V69.3Low79.8Confident74 Ų74100.7 Ų100.745%0.44848%0.48SS..  trans-62.1109.2167.6-174.90000105.4T123 R151 R155T123-V153 HydrophobicContact CG2-CG2 3.5Å; T123-V153 VanDerWaalsContact CG2-CG2 3.5Å; R151-V153 PolarHBondContact O-N 2.81Å; V153-R155 HydrophobicContact CB-CG 4.12Å; V153-R155 HydrophobicContact CG1-CG 3.65Å; V153-R155 PolarHBondContact O-N 3.24Å
154Q64.4Low79.5Confident147 Ų147101.3 Ų101.369%0.68748%0.482SS*.  trans-64.780.8160.4-66.7-61.3-25.800105.8Q152 H156Q152-Q154 PolarHBondContact O-N 2.92Å; Q154-H156 PolarHBondContact O-N 3.45Å
155R63.6Low79.3Confident125 Ų125102 Ų10247%0.47249%0.486SS..  trans-65.593.8165.9-66.5-166.1-177.8-1665.6102.2V153 R157V153-R155 HydrophobicContact CB-CG 4.12Å; V153-R155 HydrophobicContact CG1-CG 3.65Å; V153-R155 PolarHBondContact O-N 3.24Å; R155-R157 PolarHBondContact O-N 3.48Å
156H65.8Low79Confident154 Ų154105.1 Ų105.171%0.71350%0.502SS*.  trans-57.387.3164-88.7-69.7000105.4Q154 R158Q154-H156 PolarHBondContact O-N 3.45Å; H156-R158 PolarHBondContact O-N 3.39Å
157R61.3Low78.7Confident113 Ų113106.4 Ų106.443%0.42652%0.516SS..  trans-62.693.3155.8-68.7-155.5-174.2-98.52.5101.8R155 N159 K175 C177 L180R155-R157 PolarHBondContact O-N 3.48Å; R157-N159 PolarHBondContact O-N 2.94Å; R157-K175 PolarHBondContact NH2-O 3.05Å; R157-C177 PolarHBondContact NH1-O 2.83Å; R157-C177 VanDerWaalsContact NH1-O 3.08Å; R157-L180 HydrophobicContact CB-CD2 4.12Å
158R66.1Low78.6Confident154 Ų154105.2 Ų105.258%0.58150%0.503SS*.  trans-54.8139.1169.5-64177.5-176.4144.7-1.5104.1H156 I160H156-R158 PolarHBondContact O-N 3.39Å; R158-I160 HydrophobicContact CB-CB 4.14Å; R158-I160 HydrophobicContact CB-CD1 3.84Å; R158-I160 HydrophobicContact CB-CG1 3.9Å; R158-I160 PolarHBondContact O-N 3.1Å
159N70.4Confident78.5Confident148 Ų148104.3 Ų104.379%0.79148%0.484SS*.SBendtrans-67.531.9176.4-67.1-21.5000112.2R157 L180R157-N159 PolarHBondContact O-N 2.94Å; N159-L180 HydrophobicContact CB-CD1 4.46Å
160I82.3Confident78.4Confident89 Ų89106.3 Ų106.346%0.45650%0.5SS..  trans-108121-174.7-59174.6000106.3R158 F179 L180R158-I160 HydrophobicContact CB-CB 4.14Å; R158-I160 HydrophobicContact CB-CD1 3.84Å; R158-I160 HydrophobicContact CB-CG1 3.9Å; R158-I160 PolarHBondContact O-N 3.1Å; I160-F179 HydrophobicContact CB-CD1 4.13Å; I160-F179 HydrophobicContact CG2-CD1 4Å; I160-F179 HydrophobicContact CG2-CE1 4.21Å; I160-L180 PolarHBondContact O-N 2.72Å
161P83.9Confident78.5Confident51 Ų51101.7 Ų101.733%0.33148%0.478SS..BIsolated β-bridgetrans-65.9144178.626.4-32.8000111.5R163 L180P161-R163 PolarHBondContact O-N 3.04Å; P161-L180 WeakPolarHBondContact CA-O 3.44Å
162C87.5Confident78.8Confident5 Ų599.9 Ų99.93%0.03448%0.484CS..  trans-69.7111.5177.8179.70000109.7K164 F165 L166 F179 L180 H181C162-K164 VanDerWaalsContact C-N 3.29Å; C162-K164 PolarHBondContact O-N 3.46Å; C162-F165 HydrophobicContact CB-CB 3.64Å; C162-F165 PolarHBondContact O-N 2.96Å; C162-F165 VanDerWaalsContact SG-CB 3.59Å; C162-F165 PolarHBondContact SG-N 3.16Å; C162-F165 VanDerWaalsContact SG-N 3.39Å; C162-L166 WeakPolarHBondContact O-CB 3.43Å; C162-L166 PolarHBondContact O-N 2.98Å; C162-F179 VanDerWaalsContact CA-CB 3.46Å; C162-F179 HydrophobicContact CB-CB 3.53Å; C162-L180 WeakPolarHBondContact CB-O 3.27Å; C162-L180 PolarHBondContact N-O 3.19Å; C162-H181 WeakPolarHBondContact CB-CD2 3.36Å
163R87.4Confident79.2Confident193 Ų19399.5 Ų99.573%0.72848%0.481SS*.Hα-helixtrans-57.6-40.3179.8-167.1-179.1-155.6-95.45.5112.9P161 A167P161-R163 PolarHBondContact O-N 3.04Å; R163-A167 WeakPolarHBondContact O-CB 3.45Å; R163-A167 PolarHBondContact O-N 2.79Å
164K86.6Confident79.8Confident107 Ų10797.5 Ų97.547%0.46548%0.475SS..Hα-helixtrans-70.6-39.6-178.5-169.562.4171.71750111.6C162 N168C162-K164 VanDerWaalsContact C-N 3.29Å; C162-K164 PolarHBondContact O-N 3.46Å; K164-N168 PolarHBondContact NZ-ND2 3.08Å; K164-N168 VanDerWaalsContact NZ-ND2 3.14Å; K164-N168 WeakPolarHBondContact O-CB 3.31Å; K164-N168 PolarHBondContact O-N 3.39Å
165F88.3Confident80.5Confident15 Ų1599.7 Ų99.77%0.06648%0.482CS..Hα-helixtrans-67.7-42.7173.9-168.7-101.2000111.6C162 A167 R169 C171 H181 E183C162-F165 HydrophobicContact CB-CB 3.64Å; C162-F165 PolarHBondContact O-N 2.96Å; C162-F165 VanDerWaalsContact SG-CB 3.59Å; C162-F165 PolarHBondContact SG-N 3.16Å; C162-F165 VanDerWaalsContact SG-N 3.39Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.08Å; F165-R169 VanDerWaalsContact CE2-O 3.3Å; F165-R169 WeakPolarHBondContact CE2-O 3.42Å; F165-R169 WeakPolarHBondContact O-CA 3.37Å; F165-R169 PolarHBondContact O-N 3Å; F165-C171 HydrophobicContact CB-CB 4.06Å; F165-C171 HydrophobicContact CD2-CB 3.86Å; F165-C171 HydrophobicContact CG-CB 4.45Å; F165-H181 HydrophobicContact CD1-CB 3.58Å; F165-H181 AromaticContact CD1-CD2 3.96Å; F165-H181 AromaticContact CD1-CG 3.67Å; F165-H181 HydrophobicContact CD2-CB 4.26Å; F165-H181 AromaticContact CD2-CD2 3.95Å; F165-H181 AromaticContact CD2-CE1 3.66Å; F165-H181 AromaticContact CD2-CG 3.64Å; F165-H181 AromaticContact CD2-ND1 3.43Å; F165-H181 WeakPolarHBondContact CD2-ND1 3.36Å; F165-H181 AromaticContact CD2-NE2 3.97Å; F165-H181 HydrophobicContact CE1-CB 3.58Å; F165-H181 HydrophobicContact CE2-CB 4.26Å; F165-H181 AromaticContact CE2-CG 3.99Å; F165-H181 AromaticContact CE2-ND1 3.67Å; F165-H181 HydrophobicContact CG-CB 3.94Å; F165-H181 AromaticContact CG-CD2 3.52Å; F165-H181 AromaticContact CG-CG 3.46Å; F165-H181 VanDerWaalsContact CG-CG 3.46Å; F165-H181 AromaticContact CG-ND1 3.78Å; F165-H181 AromaticContact CG-NE2 3.87Å; F165-H181 HydrophobicContact CZ-CB 3.93Å; F165-E183 HydrophobicContact CE1-CG 3.87Å; F165-E183 HydrophobicContact CZ-CG 3.48Å; F165-E183 VanDerWaalsContact CZ-CG 3.48Å; F165-E183 WeakPolarHBondContact CZ-OE1 3.44Å
166L87.8Confident81.2Confident83 Ų83102.8 Ų102.844%0.43549%0.494SS..Hα-helixtrans-65.6-37.5177.7-173.263000112C162C162-L166 WeakPolarHBondContact O-CB 3.43Å; C162-L166 PolarHBondContact O-N 2.98Å
167A84.9Confident82.1Confident69 Ų6995.8 Ų95.857%0.5746%0.462SS*.Hα-helixtrans-75.5-41.6-179.700000113.2R163 F165R163-A167 WeakPolarHBondContact O-CB 3.45Å; R163-A167 PolarHBondContact O-N 2.79Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.08Å
168N84Confident83.1Confident88 Ų8894.8 Ų94.847%0.47147%0.465SS..Hα-helixtrans-116.9-2.9-168.3-6524.9000113.2K164 V170K164-N168 PolarHBondContact NZ-ND2 3.08Å; K164-N168 VanDerWaalsContact NZ-ND2 3.14Å; K164-N168 WeakPolarHBondContact O-CB 3.31Å; K164-N168 PolarHBondContact O-N 3.39Å; N168-V170 PolarHBondContact O-N 2.83Å
169R85.8Confident84.1Confident120 Ų12091 Ų9145%0.45345%0.453SS..SBendtrans50.77.3-166.9-61.7-64.3-171.31685.9115F165 V182 D184F165-R169 VanDerWaalsContact CE2-O 3.3Å; F165-R169 WeakPolarHBondContact CE2-O 3.42Å; F165-R169 WeakPolarHBondContact O-CA 3.37Å; F165-R169 PolarHBondContact O-N 3Å; R169-V182 PolarHBondContact NH1-O 2.9Å; R169-D184 IonicContact CZ-OD2 3.01Å; R169-D184 IonicContact NH1-OD2 2.74Å; R169-D184 PolarHBondContact NH1-OD2 2.67Å; R169-D184 IonicContact NH2-OD2 2.72Å; R169-D184 PolarHBondContact NH2-OD2 2.7Å
170V86.4Confident84.8Confident103 Ų10386.5 Ų86.562%0.62443%0.429SS*.  trans-131.1116.7178.9-179.80000107.5N168N168-V170 PolarHBondContact O-N 2.83Å
171C88.4Confident85Confident12 Ų1284.5 Ų84.58%0.08142%0.417CS..  trans-105.8124.3173.5-178.10000108.6F165 F173 G174 H181F165-C171 HydrophobicContact CB-CB 4.06Å; F165-C171 HydrophobicContact CD2-CB 3.86Å; F165-C171 HydrophobicContact CG-CB 4.45Å; C171-F173 PolarHBondContact O-N 2.68Å; C171-G174 PolarHBondContact O-N 2.87Å; C171-H181 WeakPolarHBondContact CB-CE1 3.02Å; C171-H181 WeakPolarHBondContact CB-NE2 3.48Å; C171-H181 PolarHBondContact SG-NE2 2.62Å
172P87.4Confident84.8Confident98 Ų9886.1 Ų86.164%0.63643%0.426SS*.THydrogen-bonded Turntrans-61.9-17.5178.325.7-34.1000112.8
173F82.5Confident84.3Confident142 Ų14291.6 Ų91.662%0.62345%0.451SS*.THydrogen-bonded Turntrans-90.3-8.6176.7-53.2-70.9000113.5C171 R176 C177C171-F173 PolarHBondContact O-N 2.68Å; F173-R176 WeakPolarHBondContact O-CA 3.35Å; F173-R176 WeakPolarHBondContact O-CB 3.3Å; F173-R176 PolarHBondContact O-N 2.72Å; F173-C177 HydrophobicContact CB-CB 4.04Å; F173-C177 PolarHBondContact O-N 3.47Å
174G82.1Confident83.1Confident32 Ų3287.5 Ų87.533%0.3344%0.444SS..G310 helixtrans48.3-137.8178.800000113.7C171 R176 C177 H181C171-G174 PolarHBondContact O-N 2.87Å; G174-R176 PolarHBondContact O-N 2.92Å; G174-R176 VanDerWaalsContact O-N 3.1Å; G174-C177 VanDerWaalsContact O-CB 3.31Å; G174-C177 WeakPolarHBondContact O-CB 3.42Å; G174-C177 PolarHBondContact O-N 3.26Å; G174-H181 PolarHBondContact O-CE1 2.97Å
175K79.1Confident81.3Confident192 Ų19289 Ų8984%0.83545%0.452SS*.G310 helixtrans-64.4-13.2178.8-60.2-171.6-179.8-174.30114R157 C177R157-K175 PolarHBondContact NH2-O 3.05Å; K175-C177 VanDerWaalsContact C-N 3.34Å
176R77.5Confident79.2Confident191 Ų19195 Ų9572%0.72149%0.49SS*.G310 helixtrans-86.7-2.6175.9-60.5172.957.5-168.7-0.2113F173 G174 N178F173-R176 WeakPolarHBondContact O-CA 3.35Å; F173-R176 WeakPolarHBondContact O-CB 3.3Å; F173-R176 PolarHBondContact O-N 2.72Å; G174-R176 PolarHBondContact O-N 2.92Å; G174-R176 VanDerWaalsContact O-N 3.1Å; R176-N178 PolarHBondContact O-N 3.04Å
177C83.6Confident76.9Confident7 Ų797.3 Ų97.35%0.04750%0.502CS..  trans-60.3135174.7-164.40000110.7R157 F173 G174 K175 F179 H181R157-C177 PolarHBondContact NH1-O 2.83Å; R157-C177 VanDerWaalsContact NH1-O 3.08Å; F173-C177 HydrophobicContact CB-CB 4.04Å; F173-C177 PolarHBondContact O-N 3.47Å; G174-C177 VanDerWaalsContact O-CB 3.31Å; G174-C177 WeakPolarHBondContact O-CB 3.42Å; G174-C177 PolarHBondContact O-N 3.26Å; K175-C177 VanDerWaalsContact C-N 3.34Å; C177-F179 PolarHBondContact O-N 3.39Å; C177-H181 VanDerWaalsContact CB-NE2 3.27Å; C177-H181 WeakPolarHBondContact CB-NE2 3.3Å
178N84.1Confident74.9Confident91 Ų9199.9 Ų99.949%0.48751%0.513SS..SBendtrans-78.7-3.1177.3-70.1-12.7000113.2R176R176-N178 PolarHBondContact O-N 3.04Å
179F85.6Confident72.9Confident75 Ų75103.3 Ų103.333%0.32953%0.526SS..SBendtrans-107.7158.9-179.9-62.2-80.5000110.5I160 C162 C177I160-F179 HydrophobicContact CB-CD1 4.13Å; I160-F179 HydrophobicContact CG2-CD1 4Å; I160-F179 HydrophobicContact CG2-CE1 4.21Å; C162-F179 VanDerWaalsContact CA-CB 3.46Å; C162-F179 HydrophobicContact CB-CB 3.53Å; C177-F179 PolarHBondContact O-N 3.39Å
180L85.8Confident70.8Confident54 Ų54103.6 Ų103.628%0.28354%0.544SS..BIsolated β-bridgetrans-71.5130.4-179.4-61.9179.1000111.2R157 N159 I160 P161 C162R157-L180 HydrophobicContact CB-CD2 4.12Å; N159-L180 HydrophobicContact CB-CD1 4.46Å; I160-L180 PolarHBondContact O-N 2.72Å; P161-L180 WeakPolarHBondContact CA-O 3.44Å; C162-L180 WeakPolarHBondContact CB-O 3.27Å; C162-L180 PolarHBondContact N-O 3.19Å
181H86.3Confident68.6Low47 Ų47102.4 Ų102.422%0.21855%0.545CS..  trans-101.5111.8166.6-69.7-175.9000106.2C162 F165 C171 G174 C177C162-H181 WeakPolarHBondContact CB-CD2 3.36Å; F165-H181 HydrophobicContact CD1-CB 3.58Å; F165-H181 AromaticContact CD1-CD2 3.96Å; F165-H181 AromaticContact CD1-CG 3.67Å; F165-H181 HydrophobicContact CD2-CB 4.26Å; F165-H181 AromaticContact CD2-CD2 3.95Å; F165-H181 AromaticContact CD2-CE1 3.66Å; F165-H181 AromaticContact CD2-CG 3.64Å; F165-H181 AromaticContact CD2-ND1 3.43Å; F165-H181 WeakPolarHBondContact CD2-ND1 3.36Å; F165-H181 AromaticContact CD2-NE2 3.97Å; F165-H181 HydrophobicContact CE1-CB 3.58Å; F165-H181 HydrophobicContact CE2-CB 4.26Å; F165-H181 AromaticContact CE2-CG 3.99Å; F165-H181 AromaticContact CE2-ND1 3.67Å; F165-H181 HydrophobicContact CG-CB 3.94Å; F165-H181 AromaticContact CG-CD2 3.52Å; F165-H181 AromaticContact CG-CG 3.46Å; F165-H181 VanDerWaalsContact CG-CG 3.46Å; F165-H181 AromaticContact CG-ND1 3.78Å; F165-H181 AromaticContact CG-NE2 3.87Å; F165-H181 HydrophobicContact CZ-CB 3.93Å; C171-H181 WeakPolarHBondContact CB-CE1 3.02Å; C171-H181 WeakPolarHBondContact CB-NE2 3.48Å; C171-H181 PolarHBondContact SG-NE2 2.62Å; G174-H181 PolarHBondContact O-CE1 2.97Å; C177-H181 VanDerWaalsContact CB-NE2 3.27Å; C177-H181 WeakPolarHBondContact CB-NE2 3.3Å
182V79Confident66.8Low84 Ų84107.3 Ų107.351%0.50958%0.576SS.*  trans-96.2101.6172.4-175.60000105.6R169R169-V182 PolarHBondContact NH1-O 2.9Å
183E78.1Confident64.4Low120 Ų120108.5 Ų108.556%0.56158%0.582SS**  trans-83.1115.4169.6-75.8160.7176.800106.1F165 E185F165-E183 HydrophobicContact CE1-CG 3.87Å; F165-E183 HydrophobicContact CZ-CG 3.48Å; F165-E183 VanDerWaalsContact CZ-CG 3.48Å; F165-E183 WeakPolarHBondContact CZ-OE1 3.44Å; E183-E185 VanDerWaalsContact C-N 3.31Å; E183-E185 PolarHBondContact O-N 2.88Å; E183-E185 VanDerWaalsContact O-N 3.08Å
184D62.1Low62.1Low108 Ų108108.9 Ų108.958%0.57859%0.59SS**  trans-77.492.3171.5-59.2-57.3000105.7R169 V186R169-D184 IonicContact CZ-OD2 3.01Å; R169-D184 IonicContact NH1-OD2 2.74Å; R169-D184 PolarHBondContact NH1-OD2 2.67Å; R169-D184 IonicContact NH2-OD2 2.72Å; R169-D184 PolarHBondContact NH2-OD2 2.7Å; D184-V186 PolarHBondContact O-N 2.76Å
185E49.4Very low60.5Low138 Ų138116.1 Ų116.165%0.64562%0.616SS**  trans-59.6104176.4-67.7-68.4140.500109.3E183 L187E183-E185 VanDerWaalsContact C-N 3.31Å; E183-E185 PolarHBondContact O-N 2.88Å; E183-E185 VanDerWaalsContact O-N 3.08Å; E185-L187 PolarHBondContact O-N 2.97Å; E185-L187 VanDerWaalsContact O-N 3.1Å
186V43.3Very low58.6Low142 Ų142114.6 Ų114.686%0.86162%0.615SS**  trans-76.984.3160-178.70000106.5D184D184-V186 PolarHBondContact O-N 2.76Å
187L39.2Very low56.6Low130 Ų130112.7 Ų112.768%0.68161%0.614SS**PPolyproline II helixtrans-80.2146158.7-81.3164.9000109.5E185 Q189E185-L187 PolarHBondContact O-N 2.97Å; E185-L187 VanDerWaalsContact O-N 3.1Å; L187-Q189 PolarHBondContact O-N 3.36Å
188P43.3Very low54.7Low123 Ų123118.2 Ų118.280%0.79965%0.65SS**PPolyproline II helixtrans-68.8131.7179.5-1.917.2000110.8
189Q41.5Very low52.5Low160 Ų160119.8 Ų119.875%0.74865%0.654SS**PPolyproline II helixtrans-70.5158.4-178.4-75.2-97.3-17.300113.2L187 A191L187-Q189 PolarHBondContact O-N 3.36Å; Q189-A191 VanDerWaalsContact OE1-N 3.09Å
190P42.3Very low50.7Low127 Ų127124.3 Ų124.383%0.82568%0.676SS**  -141.3121.479.631.5-10.9000117.6
191A39.7Very low48.7Very low78 Ų78129.1 Ų129.165%0.64570%0.695SS**  trans31.8164.3130.300000124Q189Q189-A191 VanDerWaalsContact OE1-N 3.09Å
192P50.1Low46.4Very low114 Ų114134.3 Ų134.374%0.7472%0.717SS**  cis-135.8170-539.3-20.1000117.3
193T38Very low44.6Very low123 Ų123141 Ų14176%0.75573%0.733SS**  trans7698.5155.4-41.70000119
194D34.8Very low43.4Very low151 Ų151143.6 Ų143.681%0.80774%0.738SS**  -159.4145101.4-132.4-22.8000111.9I196D194-I196 PolarHBondContact O-N 2.82Å
195Q47Very low43.1Very low184 Ų184141.5 Ų141.586%0.8673%0.73SS**  trans-77.7108.5-163.9-61.6179.7900112.4
196I39.8Very low43.1Very low160 Ų160146 Ų14682%0.82174%0.741SS**  trans-130.4103.7155.6-54.5177.8000108.4D194 P198D194-I196 PolarHBondContact O-N 2.82Å; I196-P198 WeakPolarHBondContact O-CD 3.19Å
197Q36Very low43.8Very low150 Ų150142.5 Ų142.570%0.70173%0.734SS**  trans-58.6123.1170.2-80.2177.5-22.400110.3Q199Q197-Q199 VanDerWaalsContact C-N 3.27Å; Q197-Q199 HydrophobicContact CB-CG 4.43Å; Q197-Q199 PolarHBondContact O-N 2.96Å
198P43.1Very low45.5Very low123 Ų123138.4 Ų138.480%0.79972%0.718SS**  trans-80.186.6165.731.9-27.1000107.1I196 H200I196-P198 WeakPolarHBondContact O-CD 3.19Å; P198-H200 PolarHBondContact O-N 2.77Å
199Q39.2Very low47.3Very low124 Ų124136.7 Ų136.758%0.57970%0.702SS**  trans-60.3102.2166.2-66.4-71.7-15.600106.9Q197 K201Q197-Q199 VanDerWaalsContact C-N 3.27Å; Q197-Q199 HydrophobicContact CB-CG 4.43Å; Q197-Q199 PolarHBondContact O-N 2.96Å; Q199-K201 HydrophobicContact CB-CG 4.32Å; Q199-K201 PolarHBondContact O-N 3.25Å
200H47.5Very low49.3Very low170 Ų170129.3 Ų129.379%0.78767%0.668SS**  trans-65.374.9172.8-169-107.1000108.6P198 K202P198-H200 PolarHBondContact O-N 2.77Å; H200-K202 PolarHBondContact O-N 3.45Å
201K43.3Very low51.2Low156 Ų156130.1 Ų130.168%0.67866%0.661SS**  trans-67.8104173.9-66.9176.2-172.4175.10105.7Q199 W203Q199-K201 HydrophobicContact CB-CG 4.32Å; Q199-K201 PolarHBondContact O-N 3.25Å; K201-W203 PolarHBondContact O-N 3.29Å
202K38.3Very low53.2Low156 Ų156129.3 Ų129.368%0.67865%0.648SS**  trans-41108.7166.7177.6162.5-177.1168.10108.3H200 R204H200-K202 PolarHBondContact O-N 3.45Å; K202-R204 PolarHBondContact O-N 2.92Å
203W40.6Very low54.8Low225 Ų225127 Ų12785%0.85263%0.626SS**  trans-61.199.6-178.8-82.791.7000108.8K201K201-W203 PolarHBondContact O-N 3.29Å
204R53.5Low56.9Low173 Ų173125 Ų12565%0.65362%0.617SS**  trans-98.9123.5160.5-63.2-174.1-167.9-987.5105K202 R206K202-R204 PolarHBondContact O-N 2.92Å; R204-R206 PolarHBondContact O-N 3Å
205P55.8Low59Low65 Ų65120.8 Ų120.842%0.42260%0.6SS.*  trans-6592.4169.328.6-30.9000106.4G207 C226P205-G207 PolarHBondContact O-N 2.84Å; P205-C226 WeakPolarHBondContact CD-O 3.45Å; P205-C226 WeakPolarHBondContact CG-O 3.4Å
206R47.9Very low60.7Low233 Ų233118.6 Ų118.688%0.87959%0.587SS**THydrogen-bonded Turntrans-68.1104178.7-75.4-155.3-92.7-121.24.8107.2R204R204-R206 PolarHBondContact O-N 3Å
207G59.8Low62.7Low68 Ų68113.6 Ų113.670%0.70158%0.575SS**THydrogen-bonded Turntrans121.1-11.5162.100000117.2P205 L209P205-G207 PolarHBondContact O-N 2.84Å; G207-L209 PolarHBondContact O-N 3.13Å
208A73.4Confident64.9Low43 Ų43112.4 Ų112.436%0.35557%0.568SS.*  trans-83.2111.9177.400000110.7F227 Q228A208-F227 HydrophobicContact CB-CD1 3.71Å; A208-F227 HydrophobicContact CB-CE1 4.06Å; A208-Q228 PolarHBondContact O-N 3.31Å
209L81.6Confident66.8Low87 Ų87107.3 Ų107.346%0.45554%0.535SS..BIsolated β-bridgetrans-67.7140.7171.6-63.3177.9000109.5G207 H211 Q228G207-L209 PolarHBondContact O-N 3.13Å; L209-H211 PolarHBondContact O-N 3.14Å; L209-H211 VanDerWaalsContact O-N 3.13Å; L209-Q228 HydrophobicContact CD2-CB 4.13Å; L209-Q228 HydrophobicContact CD2-CG 4.22Å
210C84.1Confident68.7Low5 Ų5108.7 Ų108.73%0.03455%0.546CS..  trans-67.2112174.8-178.60000109.5T212 F213 S214 C225 F227 Q228 H229C210-T212 VanDerWaalsContact C-N 3.35Å; C210-T212 PolarHBondContact O-N 3.3Å; C210-T212 PolarHBondContact SG-OG1 3.06Å; C210-F213 HydrophobicContact CB-CB 3.72Å; C210-F213 PolarHBondContact O-N 3.47Å; C210-S214 VanDerWaalsContact O-CB 3.3Å; C210-S214 WeakPolarHBondContact O-CB 3.47Å; C210-S214 PolarHBondContact O-N 3.41Å; C210-C225 VanDerWaalsContact SG-SG 3.66Å; C210-F227 HydrophobicContact CB-CB 3.66Å; C210-Q228 PolarHBondContact N-O 3.38Å; C210-H229 WeakPolarHBondContact CB-CD2 3.42Å; C210-H229 WeakPolarHBondContact CB-NE2 3.31Å; C210-H229 PolarHBondContact SG-NE2 3.31Å
211H82.5Confident70.1Confident145 Ų145108.5 Ų108.567%0.67154%0.539SS*.Hα-helixtrans-59.9-43.3-178.5-176-81.3000112.1L209 F213 S214 S215L209-H211 PolarHBondContact O-N 3.14Å; L209-H211 VanDerWaalsContact O-N 3.13Å; H211-F213 PolarHBondContact O-N 3.26Å; H211-S214 PolarHBondContact O-N 3.46Å; H211-S215 PolarHBondContact CE1-OG 3.32Å; H211-S215 VanDerWaalsContact CE1-OG 3.31Å; H211-S215 WeakPolarHBondContact O-CB 3.02Å; H211-S215 PolarHBondContact O-N 3.4Å; H211-S215 PolarHBondContact O-OG 3.38Å
212T81.8Confident71.6Confident61 Ų61102.8 Ų102.837%0.37452%0.524SS..Hα-helixtrans-63.4-42.217842.60000112C210 F216 F218C210-T212 VanDerWaalsContact C-N 3.35Å; C210-T212 PolarHBondContact O-N 3.3Å; C210-T212 PolarHBondContact SG-OG1 3.06Å; T212-F216 WeakPolarHBondContact O-CB 3.46Å; T212-F216 WeakPolarHBondContact O-CD2 3.4Å; T212-F216 PolarHBondContact O-N 3.21Å; T212-F218 CarbonylContact C-O 3.47Å
213F82Confident73.3Confident66 Ų66102.8 Ų102.829%0.28954%0.538SS..Hα-helixtrans-67.6-38.9174.6-169.3-94.6000112.3C210 H211 G217 C219 H229C210-F213 HydrophobicContact CB-CB 3.72Å; C210-F213 PolarHBondContact O-N 3.47Å; H211-F213 PolarHBondContact O-N 3.26Å; F213-G217 VanDerWaalsContact CE2-O 3.31Å; F213-G217 WeakPolarHBondContact CE2-O 3.46Å; F213-G217 WeakPolarHBondContact O-CA 3.24Å; F213-G217 PolarHBondContact O-N 2.91Å; F213-C219 HydrophobicContact CB-CB 4.28Å; F213-C219 HydrophobicContact CD2-CB 4.32Å; F213-H229 HydrophobicContact CD1-CB 3.78Å; F213-H229 AromaticContact CD1-CG 3.98Å; F213-H229 HydrophobicContact CD2-CB 4.23Å; F213-H229 AromaticContact CD2-CG 3.79Å; F213-H229 AromaticContact CD2-ND1 3.86Å; F213-H229 HydrophobicContact CE1-CB 3.79Å; F213-H229 HydrophobicContact CE2-CB 4.24Å; F213-H229 HydrophobicContact CG-CB 4.01Å; F213-H229 AromaticContact CG-CD2 3.59Å; F213-H229 AromaticContact CG-CG 3.67Å; F213-H229 HydrophobicContact CZ-CB 4.03Å
214S83.1Confident74.4Confident79 Ų7996.1 Ų96.155%0.55253%0.526SS*.Hα-helixtrans-68.1-34.3178.7-171.20000112.7C210 H211C210-S214 VanDerWaalsContact O-CB 3.3Å; C210-S214 WeakPolarHBondContact O-CB 3.47Å; C210-S214 PolarHBondContact O-N 3.41Å; H211-S214 PolarHBondContact O-N 3.46Å
215S79.6Confident75.7Confident64 Ų6489 Ų8945%0.44850%0.502SS..Hα-helixtrans-87-35.1-179-600000112.9H211H211-S215 PolarHBondContact CE1-OG 3.32Å; H211-S215 VanDerWaalsContact CE1-OG 3.31Å; H211-S215 WeakPolarHBondContact O-CB 3.02Å; H211-S215 PolarHBondContact O-N 3.4Å; H211-S215 PolarHBondContact O-OG 3.38Å
216F82.8Confident76.8Confident138 Ų13889.2 Ų89.261%0.60550%0.504SS*.Hα-helixtrans-119.4-5.7-169.3-56.8-72.8000114.1T212 F218T212-F216 WeakPolarHBondContact O-CB 3.46Å; T212-F216 WeakPolarHBondContact O-CD2 3.4Å; T212-F216 PolarHBondContact O-N 3.21Å; F216-F218 HydrophobicContact CB-CD1 3.9Å; F216-F218 HydrophobicContact CB-CE1 3.66Å; F216-F218 HydrophobicContact CB-CZ 4.23Å; F216-F218 WeakPolarHBondContact O-CD1 3.26Å; F216-F218 PolarHBondContact O-N 2.99Å
217G80.5Confident78.3Confident55 Ų5583.1 Ų83.157%0.56749%0.485SS*.SBendtrans72.60.2-177.500000114.5F213F213-G217 VanDerWaalsContact CE2-O 3.31Å; F213-G217 WeakPolarHBondContact CE2-O 3.46Å; F213-G217 WeakPolarHBondContact O-CA 3.24Å; F213-G217 PolarHBondContact O-N 2.91Å
218F81.8Confident79.2Confident124 Ų12485.8 Ų85.854%0.54448%0.479SS..  trans-140.6153.2176.369.9-90.6000111.9T212 F216 L220T212-F218 CarbonylContact C-O 3.47Å; F216-F218 HydrophobicContact CB-CD1 3.9Å; F216-F218 HydrophobicContact CB-CE1 3.66Å; F216-F218 HydrophobicContact CB-CZ 4.23Å; F216-F218 WeakPolarHBondContact O-CD1 3.26Å; F216-F218 PolarHBondContact O-N 2.99Å; F218-L220 HydrophobicContact CD2-CD1 4.31Å; F218-L220 HydrophobicContact CE2-CD1 3.94Å
219C83.8Confident79.4Confident16 Ų1686.1 Ų86.111%0.10847%0.473CS..  trans-131.4127.4175.8-176.30000108.9F213 Y221 G222 H229F213-C219 HydrophobicContact CB-CB 4.28Å; F213-C219 HydrophobicContact CD2-CB 4.32Å; C219-Y221 PolarHBondContact O-N 3.25Å; C219-Y221 VanDerWaalsContact O-N 3.15Å; C219-G222 PolarHBondContact O-N 3.12Å; C219-H229 WeakPolarHBondContact CB-CE1 3.33Å; C219-H229 WeakPolarHBondContact CB-NE2 3.21Å
220L79.4Confident78.8Confident153 Ų15383.8 Ų83.880%0.80147%0.469SS*.THydrogen-bonded Turntrans-62.7-21.9178.9-7583.6000113F218 G222F218-L220 HydrophobicContact CD2-CD1 4.31Å; F218-L220 HydrophobicContact CE2-CD1 3.94Å; L220-G222 VanDerWaalsContact C-N 3.31Å
221Y77.3Confident77.4Confident166 Ų16690.9 Ų90.965%0.65151%0.506SS*.THydrogen-bonded Turntrans-83.5-6.8174.9-58.6-78.4000112.9C219 T223 S224 C225C219-Y221 PolarHBondContact O-N 3.25Å; C219-Y221 VanDerWaalsContact O-N 3.15Å; Y221-T223 PolarHBondContact O-N 2.79Å; Y221-S224 WeakPolarHBondContact O-CA 3.34Å; Y221-S224 WeakPolarHBondContact O-CB 3.36Å; Y221-S224 PolarHBondContact O-N 3.03Å; Y221-S224 PolarHBondContact O-OG 3.21Å; Y221-C225 PolarHBondContact O-N 2.84Å
222G73.7Confident75.7Confident36 Ų3688.6 Ų88.637%0.37150%0.504SS..G310 helixtrans51.5-131.7177.500000113.1C219 L220 S224 C225 H229C219-G222 PolarHBondContact O-N 3.12Å; L220-G222 VanDerWaalsContact C-N 3.31Å; G222-S224 PolarHBondContact O-N 2.9Å; G222-C225 VanDerWaalsContact O-CB 3.24Å; G222-C225 WeakPolarHBondContact O-CB 3.3Å; G222-C225 PolarHBondContact O-N 2.6Å; G222-H229 PolarHBondContact O-CE1 3.15Å
223T73.6Confident73.9Confident156 Ų15691.6 Ų91.696%0.95753%0.528SS*.G310 helixtrans-74.4-9.9177.455.10000114Y221 C225Y221-T223 PolarHBondContact O-N 2.79Å; T223-C225 VanDerWaalsContact C-N 3.29Å
224S65.1Low72.2Confident86 Ų8697.7 Ų97.760%0.60155%0.554SS**G310 helixtrans-85.5-4.8173.7780000112.9Y221 G222 C226Y221-S224 WeakPolarHBondContact O-CA 3.34Å; Y221-S224 WeakPolarHBondContact O-CB 3.36Å; Y221-S224 PolarHBondContact O-N 3.03Å; Y221-S224 PolarHBondContact O-OG 3.21Å; G222-S224 PolarHBondContact O-N 2.9Å; S224-C226 PolarHBondContact O-N 3.42Å
225C79.6Confident70.4Confident23 Ų23101.9 Ų101.916%0.15557%0.568CS.*  trans-58.8130.7173.7-170.70000110.5C210 Y221 G222 T223 F227 H229C210-C225 VanDerWaalsContact SG-SG 3.66Å; Y221-C225 PolarHBondContact O-N 2.84Å; G222-C225 VanDerWaalsContact O-CB 3.24Å; G222-C225 WeakPolarHBondContact O-CB 3.3Å; G222-C225 PolarHBondContact O-N 2.6Å; T223-C225 VanDerWaalsContact C-N 3.29Å; C225-F227 PolarHBondContact O-N 3.36Å; C225-H229 VanDerWaalsContact CB-CE1 3.47Å; C225-H229 WeakPolarHBondContact CB-CE1 3.34Å; C225-H229 WeakPolarHBondContact CB-NE2 3.18Å; C225-H229 PolarHBondContact SG-NE2 3.37Å
226C79.4Confident68.1Low70 Ų70108.3 Ų108.347%0.47359%0.588SS.*SBendtrans-78.8-5.4179.4-65.10000113.1P205 S224P205-C226 WeakPolarHBondContact CD-O 3.45Å; P205-C226 WeakPolarHBondContact CG-O 3.4Å; S224-C226 PolarHBondContact O-N 3.42Å
227F79.4Confident65.8Low105 Ų105108.5 Ų108.546%0.46160%0.601SS.*SBendtrans-106.2154.9-176.4-59.6-78.7000110.9A208 C210 C225 H229A208-F227 HydrophobicContact CB-CD1 3.71Å; A208-F227 HydrophobicContact CB-CE1 4.06Å; C210-F227 HydrophobicContact CB-CB 3.66Å; C225-F227 PolarHBondContact O-N 3.36Å; F227-H229 PolarHBondContact O-N 2.97Å
228Q79.3Confident63.5Low124 Ų124110.5 Ų110.558%0.57961%0.612SS**BIsolated β-bridgetrans-71.7129.9-176.8-174.966.74000110.8A208 L209 C210A208-Q228 PolarHBondContact O-N 3.31Å; L209-Q228 HydrophobicContact CD2-CB 4.13Å; L209-Q228 HydrophobicContact CD2-CG 4.22Å; C210-Q228 PolarHBondContact N-O 3.38Å
229H77.6Confident61.3Low50 Ų50111.2 Ų111.223%0.23162%0.622CS.*  trans-99.6128.1167.6-65.1171.3000108.2C210 F213 C219 G222 C225 F227C210-H229 WeakPolarHBondContact CB-CD2 3.42Å; C210-H229 WeakPolarHBondContact CB-NE2 3.31Å; C210-H229 PolarHBondContact SG-NE2 3.31Å; F213-H229 HydrophobicContact CD1-CB 3.78Å; F213-H229 AromaticContact CD1-CG 3.98Å; F213-H229 HydrophobicContact CD2-CB 4.23Å; F213-H229 AromaticContact CD2-CG 3.79Å; F213-H229 AromaticContact CD2-ND1 3.86Å; F213-H229 HydrophobicContact CE1-CB 3.79Å; F213-H229 HydrophobicContact CE2-CB 4.24Å; F213-H229 HydrophobicContact CG-CB 4.01Å; F213-H229 AromaticContact CG-CD2 3.59Å; F213-H229 AromaticContact CG-CG 3.67Å; F213-H229 HydrophobicContact CZ-CB 4.03Å; C219-H229 WeakPolarHBondContact CB-CE1 3.33Å; C219-H229 WeakPolarHBondContact CB-NE2 3.21Å; G222-H229 PolarHBondContact O-CE1 3.15Å; C225-H229 VanDerWaalsContact CB-CE1 3.47Å; C225-H229 WeakPolarHBondContact CB-CE1 3.34Å; C225-H229 WeakPolarHBondContact CB-NE2 3.18Å; C225-H229 PolarHBondContact SG-NE2 3.37Å; F227-H229 PolarHBondContact O-N 2.97Å
230G67.7Low59.2Low37 Ų37118.8 Ų118.838%0.38166%0.66SS.*SBendtrans128.8140.4179.900000113.5
231L56.2Low57.1Low155 Ų155115.8 Ų115.881%0.81265%0.652SS**  trans-75.6140.1168.8-75.4158.9000109.3S233L231-S233 PolarHBondContact O-N 2.9Å; L231-S233 VanDerWaalsContact O-N 3.12Å
232P46.5Very low55.2Low96 Ų96115.3 Ų115.362%0.62366%0.656SS**  trans-68.6109.7169.827.2-30.5000109.2K234P232-K234 PolarHBondContact O-N 3.18Å
233S43.5Very low53.2Low124 Ų124122.7 Ų122.787%0.86767%0.672SS**  trans-62.196.6170.6-53.90000109.8L231L231-S233 PolarHBondContact O-N 2.9Å; L231-S233 VanDerWaalsContact O-N 3.12Å
234K45.9Very low51.3Low195 Ų195123.5 Ų123.585%0.84867%0.665SS**  trans-116.686.6162.3-72.4-169.8-179.6-177.30108.5P232P232-K234 PolarHBondContact O-N 3.18Å
235I46.5Very low49.8Very low166 Ų166124.6 Ų124.685%0.85167%0.673SS**  trans-127.6103.9155.6-43.9172.7000105.5T237I235-T237 PolarHBondContact O-N 3.18Å
236K31.6Very low47.8Very low200 Ų200129.7 Ų129.787%0.8771%0.706SS**  trans-74.5113.1176.1-173176-178.1-178.10106.4A238K236-A238 PolarHBondContact O-N 2.86Å
237T34.5Very low45.3Very low142 Ų142134.1 Ų134.187%0.87172%0.717SS**  trans-61.5115.3168.530.70000108.5I235I235-T237 PolarHBondContact O-N 3.18Å
238A32Very low43.4Very low96 Ų96135.2 Ų135.279%0.79374%0.735SS**  trans-106.1120.8165.400000107.5K236K236-A238 PolarHBondContact O-N 2.86Å
239D35.8Very low41.2Very low140 Ų140135.8 Ų135.875%0.74974%0.738SS**  trans-57130.4171.2178.124.8000111.6
240L38Very low39Very low174 Ų174139.6 Ų139.691%0.91177%0.767SS**  trans-159.486.6159.1-111.6152.8000109.3
241S36.8Very low37.2Very low91 Ų91143.3 Ų143.364%0.63678%0.782SS**  trans-62129162.3490000113
242Q36.7Very low36.3Very low155 Ų155142.2 Ų142.272%0.72478%0.784SS**  trans156134.9149.8-94.517918.400108.8
243R30.9Very low35.3Very low191 Ų191141.2 Ų141.272%0.72179%0.792SS**  cis-152.6170.615-79.1-141.5175.5-88.3-0.9111
244Q34.3Very low34.8Very low173 Ų173142.5 Ų142.581%0.80879%0.794SS**  trans-57.7160.3-175.1-69.1151-17.200117.7
245S33.2Very low34Very low109 Ų109138 Ų13876%0.76279%0.794SS**  trans-45.3172.3168.9-31.10000116.5
246P37.7Very low33.1Very low130 Ų130133.9 Ų133.984%0.84479%0.792SS**  -144.2161.375.627-3.4000117.7
247F27.5Very low33Very low164 Ų164132.5 Ų132.572%0.71979%0.793SS**  trans-52.4174.7170.9-107.9-114.1000114.8Q249F247-Q249 HydrophobicContact CD1-CG 3.89Å; F247-Q249 HydrophobicContact CE1-CG 3.59Å
248P39.3Very low33.3Very low127 Ų127130.9 Ų130.983%0.82579%0.785SS**  cis-146.7-179.737.635.2-9.4000120.3
249Q33.1Very low33.1Very low137 Ų137131 Ų13164%0.6478%0.78SS**  trans-67.2174.9-169-56.5-141.5-40.500117.9F247F247-Q249 HydrophobicContact CD1-CG 3.89Å; F247-Q249 HydrophobicContact CE1-CG 3.59Å
250P31.5Very low32.7Very low130 Ų130130.3 Ų130.384%0.84478%0.781SS**  -144.9153.7109.734.4-17000117.2
251T28.8Very low32.4Very low114 Ų114127 Ų12770%0.69977%0.772SS**  trans-90.3160.6160.255.70000110.6
252P37.8Very low32.2Very low132 Ų132127 Ų12786%0.85777%0.772SS**  -146.5-18080.128.4-4.8000111.5
253G27Very low32.2Very low76 Ų76127.5 Ų127.578%0.78478%0.78SS**  cis153.8139.712.600000107.7
254T32.2Very low32.1Very low151 Ų151121.5 Ų121.593%0.92678%0.778SS**  trans-78148.7-167.9-33.90000115.3
255A30Very low32Very low101 Ų101118.6 Ų118.684%0.83578%0.776SS**  trans-168.9136.6150.700000114.6
256G26.6Very low31.9Very low79 Ų79119.2 Ų119.281%0.81478%0.776SS**  trans99.2111.8130.800000121.7
257L28.5Very low31.5Very low170 Ų170118 Ų11889%0.8977%0.77SS**  trans-67.2-175165.2-72.4164.4000113
258P42.1Very low31.8Very low108 Ų108114.7 Ų114.770%0.70177%0.768SS**  cis-147.5167.314.946-25.5000120.1
259S27.2Very low31.4Very low98 Ų98113.5 Ų113.569%0.68576%0.763SS**  trans43.6131.8138.260.80000123.8
260T28.6Very low31.2Very low126 Ų126112.7 Ų112.777%0.77377%0.767SS**  -172.7111.6116.120.80000108.9
261S30.4Very low31.1Very low104 Ų104111.2 Ų111.273%0.72776%0.76SS**  58.7128.5110.4650000113.6
262S33.6Very low31.2Very low91 Ų91112.2 Ų112.264%0.63677%0.766SS**  cis17614832.330.60000108.9
263N35.9Very low31Very low167 Ų167111.6 Ų111.689%0.89377%0.765SS**  trans61.4132144.7-51.3-5.4000117.3
264G29.1Very low31.8Very low65 Ų65113 Ų11367%0.6776%0.76SS**  cis165.1149.28.600000106.8
265S32.2Very low32Very low111 Ų111113.1 Ų113.178%0.77675%0.754SS**  trans43.7131.5136.8-46.30000118.3
266T30.2Very low32.3Very low122 Ų122114.5 Ų114.575%0.74875%0.754SS**  cis176.8153.824.97.60000107.1
267S30.8Very low32.6Very low105 Ų105114.4 Ų114.473%0.73475%0.746SS**  trans57.6135.4145.862.40000118.6
268S33Very low32.6Very low95 Ų95112.6 Ų112.666%0.66475%0.745SS**  cis177.2149.711.434.40000106.5
269S31Very low32.2Very low102 Ų102112.3 Ų112.371%0.71375%0.745SS**  trans56125.7146.2610000117.4
270T29.8Very low33.1Very low120 Ų120113.2 Ų113.274%0.73675%0.749SS**  cis-175.3146.244.4-31.40000108
271S29.3Very low33.3Very low98 Ų98116.2 Ų116.269%0.68575%0.754SS**  trans47.2119.2150.1580000118
272T30.2Very low34Very low136 Ų136117.6 Ų117.683%0.83476%0.758SS**  -168.1127.554.3-35.40000107.6
273S32.7Very low34.3Very low119 Ų119121.2 Ų121.283%0.83277%0.767SS**  trans-75.8155.3176.5-72.40000112.6
274P43.7Very low34.4Very low106 Ų106119 Ų11969%0.68876%0.758SS**  trans-107.6176.3-17835.6-20.4000113.7
275L37.4Very low35.1Very low153 Ų153123.9 Ų123.980%0.80176%0.764SS**  trans86.7152.5161.6-47.1176.8000117.3
276P35.6Very low35.3Very low129 Ų129125.4 Ų125.484%0.83876%0.763SS**  -132.6153.780.231-13.8000115.5
277A32.8Very low36.3Very low77 Ų77123.6 Ų123.664%0.63676%0.76SS**  trans-62.5175.1176.100000114
278P30.2Very low37.3Very low133 Ų133127.7 Ų127.786%0.86477%0.765SS**  -118.1136.9106.833.5-32000113.4
279S32.2Very low38Very low102 Ų102129.3 Ų129.371%0.71377%0.771SS**  trans-74.9-177.8168.553.30000112.1
280P46.6Very low38.7Very low117 Ų117129.8 Ų129.876%0.7676%0.761SS**  -118.7107-79.331.3-12.9000108.9
281E32.1Very low40.2Very low189 Ų189127.3 Ų127.388%0.88375%0.749SS**  trans-90.7111.2170.7-73.4-168.5161.500109.8M283E281-M283 PolarHBondContact O-N 2.93Å
282V44.8Very low41.5Very low133 Ų133126.6 Ų126.681%0.80674%0.744SS**  trans6.796.7154.6-1750000113.6V284V282-V284 PolarHBondContact O-N 3.13Å
283M39.9Very low43Very low167 Ų167126 Ų12682%0.82373%0.732SS**  trans-64.7103.1171.4-65.8-175.194.800108.9E281 H285E281-M283 PolarHBondContact O-N 2.93Å; M283-H285 PolarHBondContact O-CE1 3.2Å; M283-H285 PolarHBondContact O-N 3.06Å; M283-H285 PolarHBondContact O-ND1 3.19Å
284V39.2Very low44.5Very low119 Ų119124.9 Ų124.972%0.72171%0.713SS**  trans-62.5116163.4-176.30000106.8V282 N286V282-V284 PolarHBondContact O-N 3.13Å; V284-N286 PolarHBondContact O-N 2.95Å
285H42.8Very low45.5Very low168 Ų168124.3 Ų124.378%0.77870%0.704SS**  trans-59.2110.8-179.7-38.3-64.9000109.4M283 A287M283-H285 PolarHBondContact O-CE1 3.2Å; M283-H285 PolarHBondContact O-N 3.06Å; M283-H285 PolarHBondContact O-ND1 3.19Å; H285-A287 PolarHBondContact O-N 3.39Å; H285-A287 VanDerWaalsContact O-N 3.13Å
286N37.4Very low47Very low143 Ų143121.8 Ų121.877%0.76569%0.691SS**  trans-68108.1168.4-75-32.9000107.7V284 F288V284-N286 PolarHBondContact O-N 2.95Å; N286-F288 PolarHBondContact O-N 3.46Å
287A49.8Very low48.7Very low84 Ų84120.8 Ų120.869%0.69468%0.679SS**SBendtrans-68.58.9-170.400000116H285H285-A287 PolarHBondContact O-N 3.39Å; H285-A287 VanDerWaalsContact O-N 3.13Å
288F52Low50.6Low191 Ų191121.9 Ų121.984%0.83867%0.673SS**  trans-151.487.4173.5-72.5-78000112.2N286N286-F288 PolarHBondContact O-N 3.46Å
289T49.1Very low52.8Low129 Ų129120.1 Ų120.179%0.79166%0.656SS**  trans-125.382.1147.955.80000107.5S291T289-S291 PolarHBondContact O-N 3.13Å
290F44.6Very low55Low112 Ų112120.6 Ų120.649%0.49165%0.65SS.*  trans-71.5112.4165.3-142.7-103.3000106.2S292 H294 L295F290-S292 PolarHBondContact O-N 3.35Å; F290-H294 HydrophobicContact CD1-CB 3.72Å; F290-H294 AromaticContact CD1-ND1 3.91Å; F290-H294 AromaticContact CD2-ND1 3.87Å; F290-H294 HydrophobicContact CE1-CB 3.41Å; F290-H294 VanDerWaalsContact CE1-CB 3.41Å; F290-H294 AromaticContact CE1-CE1 4Å; F290-H294 AromaticContact CE1-CG 3.36Å; F290-H294 AromaticContact CE1-ND1 3.17Å; F290-H294 WeakPolarHBondContact CE1-ND1 3.12Å; F290-H294 AromaticContact CE2-CE1 3.61Å; F290-H294 AromaticContact CE2-ND1 3.12Å; F290-H294 WeakPolarHBondContact CE2-ND1 3.37Å; F290-H294 HydrophobicContact CZ-CB 4.03Å; F290-H294 AromaticContact CZ-CE1 3.25Å; F290-H294 WeakPolarHBondContact CZ-CE1 3.17Å; F290-H294 AromaticContact CZ-CG 3.46Å; F290-H294 VanDerWaalsContact CZ-CG 3.46Å; F290-H294 AromaticContact CZ-ND1 2.76Å; F290-H294 WeakPolarHBondContact CZ-ND1 3.5Å; F290-L295 HydrophobicContact CD1-CG 4.23Å; F290-L295 HydrophobicContact CE1-CG 4.2Å
291S61.3Low56.7Low69 Ų69118.8 Ų118.848%0.48364%0.638SS.*  trans-60.1138.1173177.90000108.6T289 Q293 H294T289-S291 PolarHBondContact O-N 3.13Å; S291-Q293 PolarHBondContact O-N 3.23Å; S291-H294 PolarHBondContact O-N 3.24Å
292S57.1Low58.8Low83 Ų83114.9 Ų114.958%0.5862%0.623SS**Hα-helixtrans-51.7-22.6176.440.80000113.5F290 N296F290-S292 PolarHBondContact O-N 3.35Å; S292-N296 PolarHBondContact O-N 3.48Å; S292-N296 PolarHBondContact O-ND2 3.18Å
293Q62Low60.5Low124 Ų124111.1 Ų111.158%0.57961%0.606SS**Hα-helixtrans-59.5-43.4171.5-103.473.614.400113.1S291 L295 N296 D297S291-Q293 PolarHBondContact O-N 3.23Å; Q293-L295 VanDerWaalsContact C-N 3.32Å; Q293-L295 PolarHBondContact O-N 2.92Å; Q293-N296 PolarHBondContact O-N 3.28Å; Q293-N296 VanDerWaalsContact O-N 3.16Å; Q293-D297 PolarHBondContact O-N 3.05Å
294H62.9Low62.6Low95 Ų95107.4 Ų107.444%0.4459%0.588SS.*Hα-helixtrans-76.2-21.7-170.3-168.6-154.1000112.8F290 S291 L298F290-H294 HydrophobicContact CD1-CB 3.72Å; F290-H294 AromaticContact CD1-ND1 3.91Å; F290-H294 AromaticContact CD2-ND1 3.87Å; F290-H294 HydrophobicContact CE1-CB 3.41Å; F290-H294 VanDerWaalsContact CE1-CB 3.41Å; F290-H294 AromaticContact CE1-CE1 4Å; F290-H294 AromaticContact CE1-CG 3.36Å; F290-H294 AromaticContact CE1-ND1 3.17Å; F290-H294 WeakPolarHBondContact CE1-ND1 3.12Å; F290-H294 AromaticContact CE2-CE1 3.61Å; F290-H294 AromaticContact CE2-ND1 3.12Å; F290-H294 WeakPolarHBondContact CE2-ND1 3.37Å; F290-H294 HydrophobicContact CZ-CB 4.03Å; F290-H294 AromaticContact CZ-CE1 3.25Å; F290-H294 WeakPolarHBondContact CZ-CE1 3.17Å; F290-H294 AromaticContact CZ-CG 3.46Å; F290-H294 VanDerWaalsContact CZ-CG 3.46Å; F290-H294 AromaticContact CZ-ND1 2.76Å; F290-H294 WeakPolarHBondContact CZ-ND1 3.5Å; S291-H294 PolarHBondContact O-N 3.24Å; H294-L298 WeakPolarHBondContact O-CG 3.33Å
295L64.8Low64.6Low94 Ų94106.8 Ų106.849%0.49258%0.577SS.*Hα-helixtrans-76.8-36.4169.6-104.3166.2000111.9F290 Q293 L298 L299F290-L295 HydrophobicContact CD1-CG 4.23Å; F290-L295 HydrophobicContact CE1-CG 4.2Å; Q293-L295 VanDerWaalsContact C-N 3.32Å; Q293-L295 PolarHBondContact O-N 2.92Å; L295-L298 PolarHBondContact O-N 2.97Å; L295-L299 HydrophobicContact CD2-CD1 4.18Å; L295-L299 WeakPolarHBondContact O-CB 3.49Å; L295-L299 WeakPolarHBondContact O-CG 3.25Å; L295-L299 PolarHBondContact O-N 3.36Å; L295-L299 VanDerWaalsContact O-N 3.13Å
296N69.3Low66.3Low100 Ų100103.9 Ų103.954%0.53557%0.567SS.*Hα-helixtrans-65.7-40175.2-77.7-33000111.4S292 Q293 L298 L299 L300S292-N296 PolarHBondContact O-N 3.48Å; S292-N296 PolarHBondContact O-ND2 3.18Å; Q293-N296 PolarHBondContact O-N 3.28Å; Q293-N296 VanDerWaalsContact O-N 3.16Å; N296-L298 PolarHBondContact O-N 3.23Å; N296-L299 PolarHBondContact O-N 3.41Å; N296-L300 VanDerWaalsContact O-CB 3.32Å; N296-L300 WeakPolarHBondContact O-CB 2.76Å; N296-L300 PolarHBondContact O-N 2.73Å
297D72.1Confident68.4Low108 Ų108103.4 Ų103.458%0.57856%0.56SS**Hα-helixtrans-62.2-27177.7-68.7-21.5000113.2Q293 P301Q293-D297 PolarHBondContact O-N 3.05Å; D297-P301 VanDerWaalsContact O-CD 3.24Å; D297-P301 WeakPolarHBondContact O-CD 3.39Å; D297-P301 WeakPolarHBondContact O-CG 3.41Å
298L72.1Confident69.7Low100 Ų100104.7 Ų104.752%0.52455%0.552SS.*Hα-helixtrans-87.7-29.7177.5-68.9173.9000113.5H294 L295 N296H294-L298 WeakPolarHBondContact O-CG 3.33Å; L295-L298 PolarHBondContact O-N 2.97Å; N296-L298 PolarHBondContact O-N 3.23Å
299L76.5Confident70.6Confident96 Ų96100.1 Ų100.150%0.50354%0.535SS..Hα-helixtrans-90.9-29-175.6-68.3174000113.1L295 N296 L302 A303L295-L299 HydrophobicContact CD2-CD1 4.18Å; L295-L299 WeakPolarHBondContact O-CB 3.49Å; L295-L299 WeakPolarHBondContact O-CG 3.25Å; L295-L299 PolarHBondContact O-N 3.36Å; L295-L299 VanDerWaalsContact O-N 3.13Å; N296-L299 PolarHBondContact O-N 3.41Å; L299-L302 PolarHBondContact O-N 3.1Å; L299-A303 PolarHBondContact O-N 3.36Å; L299-A303 VanDerWaalsContact O-N 3.07Å
300L77.8Confident71.9Confident112 Ų112100.9 Ų100.959%0.58653%0.53SS*.Hα-helixtrans-62.1-41.9-178.8-151.774000113.5N296 L302 A303 I304N296-L300 VanDerWaalsContact O-CB 3.32Å; N296-L300 WeakPolarHBondContact O-CB 2.76Å; N296-L300 PolarHBondContact O-N 2.73Å; L300-L302 VanDerWaalsContact C-N 3.32Å; L300-L302 PolarHBondContact O-N 3.48Å; L300-A303 PolarHBondContact O-N 3.17Å; L300-I304 HydrophobicContact CG-CD1 4.47Å; L300-I304 WeakPolarHBondContact O-CG1 3.39Å; L300-I304 PolarHBondContact O-N 3.13Å; L300-I304 VanDerWaalsContact O-N 3.13Å
301P83.5Confident73.1Confident79 Ų7999.3 Ų99.351%0.51353%0.533SS..Hα-helixtrans-65-35.2177.4-21.734.3000112.9D297 H305D297-P301 VanDerWaalsContact O-CD 3.24Å; D297-P301 WeakPolarHBondContact O-CD 3.39Å; D297-P301 WeakPolarHBondContact O-CG 3.41Å; P301-H305 WeakPolarHBondContact O-CB 3.38Å; P301-H305 PolarHBondContact O-N 3.46Å; P301-H305 VanDerWaalsContact O-N 3.09Å
302L75.5Confident73.3Confident107 Ų10799.4 Ų99.456%0.5653%0.533SS*.Hα-helixtrans-70.3-39.9177.7-73.1170.7000111.8L299 L300 H305 L306L299-L302 PolarHBondContact O-N 3.1Å; L300-L302 VanDerWaalsContact C-N 3.32Å; L300-L302 PolarHBondContact O-N 3.48Å; L302-H305 PolarHBondContact O-N 3.15Å; L302-L306 WeakPolarHBondContact O-CG 3.37Å; L302-L306 PolarHBondContact O-N 3.14Å
303A80.6Confident73.6Confident54 Ų54103.1 Ų103.145%0.44654%0.539SS..Hα-helixtrans-62.8-43.1176.300000111.8L299 L300 H305 L306 Q307L299-A303 PolarHBondContact O-N 3.36Å; L299-A303 VanDerWaalsContact O-N 3.07Å; L300-A303 PolarHBondContact O-N 3.17Å; A303-H305 PolarHBondContact O-N 3.41Å; A303-L306 PolarHBondContact O-N 3.13Å; A303-Q307 PolarHBondContact O-N 3.5Å; A303-Q307 VanDerWaalsContact O-N 3.13Å
304I83.4Confident73.4Confident89 Ų8998.7 Ų98.746%0.45653%0.526SS..Hα-helixtrans-64.4-41.2177-66.9168000110.9L300 Q307 Q308L300-I304 HydrophobicContact CG-CD1 4.47Å; L300-I304 WeakPolarHBondContact O-CG1 3.39Å; L300-I304 PolarHBondContact O-N 3.13Å; L300-I304 VanDerWaalsContact O-N 3.13Å; I304-Q307 PolarHBondContact O-N 3.35Å; I304-Q308 WeakPolarHBondContact O-CG 3.32Å; I304-Q308 PolarHBondContact O-N 3.01Å
305H81Confident73.1Confident105 Ų10599.6 Ų99.649%0.48653%0.531SS..Hα-helixtrans-67.6-38.7-179.6-166.2-130000112.6P301 L302 A303 Q307 Q308 L309P301-H305 WeakPolarHBondContact O-CB 3.38Å; P301-H305 PolarHBondContact O-N 3.46Å; P301-H305 VanDerWaalsContact O-N 3.09Å; L302-H305 PolarHBondContact O-N 3.15Å; A303-H305 PolarHBondContact O-N 3.41Å; H305-Q307 VanDerWaalsContact C-N 3.35Å; H305-Q308 PolarHBondContact O-N 3.28Å; H305-L309 WeakPolarHBondContact O-CG 3.24Å; H305-L309 PolarHBondContact O-N 3.39Å; H305-L309 VanDerWaalsContact O-N 3.11Å
306L79.3Confident72.7Confident107 Ų107101.7 Ų101.756%0.5654%0.538SS*.Hα-helixtrans-64.7-39.7174.4-71.2172.8000111.9L302 A303 Q308 L309 E310L302-L306 WeakPolarHBondContact O-CG 3.37Å; L302-L306 PolarHBondContact O-N 3.14Å; A303-L306 PolarHBondContact O-N 3.13Å; L306-Q308 VanDerWaalsContact C-N 3.33Å; L306-Q308 PolarHBondContact O-N 3.11Å; L306-L309 PolarHBondContact O-N 3.03Å; L306-E310 PolarHBondContact O-N 3.34Å
307Q80.8Confident72.1Confident134 Ų134101.6 Ų101.663%0.62654%0.541SS*.Hα-helixtrans-69.2-31.3178.3-169.1151.32.500113.1A303 I304 H305 S311A303-Q307 PolarHBondContact O-N 3.5Å; A303-Q307 VanDerWaalsContact O-N 3.13Å; I304-Q307 PolarHBondContact O-N 3.35Å; H305-Q307 VanDerWaalsContact C-N 3.35Å; Q307-S311 WeakPolarHBondContact O-CB 3.42Å; Q307-S311 PolarHBondContact O-N 3.33Å; Q307-S311 VanDerWaalsContact O-N 3.14Å; Q307-S311 PolarHBondContact O-OG 2.96Å
308Q78.1Confident71.3Confident111 Ų111105.4 Ų105.452%0.51955%0.548SS..Hα-helixtrans-66.5-44.7171.3-74.2173.4-4.300111.3I304 H305 L306 E310 S311 S312I304-Q308 WeakPolarHBondContact O-CG 3.32Å; I304-Q308 PolarHBondContact O-N 3.01Å; H305-Q308 PolarHBondContact O-N 3.28Å; L306-Q308 VanDerWaalsContact C-N 3.33Å; L306-Q308 PolarHBondContact O-N 3.11Å; Q308-E310 VanDerWaalsContact C-N 3.33Å; Q308-E310 PolarHBondContact O-N 2.9Å; Q308-S311 PolarHBondContact O-N 3.43Å; Q308-S311 VanDerWaalsContact O-N 3.15Å; Q308-S312 PolarHBondContact O-N 3.16Å; Q308-S312 PolarHBondContact O-OG 3.47Å
309L71.6Confident70.6Confident94 Ų94105.4 Ų105.449%0.49255%0.548SS..Hα-helixtrans-64-35.9178.4-70.6170.5000113H305 L306 K313H305-L309 WeakPolarHBondContact O-CG 3.24Å; H305-L309 PolarHBondContact O-N 3.39Å; H305-L309 VanDerWaalsContact O-N 3.11Å; L306-L309 PolarHBondContact O-N 3.03Å; L309-K313 PolarHBondContact O-N 3.42Å; L309-K313 VanDerWaalsContact O-N 3.17Å
310E76.4Confident69.7Low146 Ų146105.5 Ų105.568%0.68256%0.557SS**Hα-helixtrans-67.4-38.3173.6-74178.7172.100112L306 Q308 G314L306-E310 PolarHBondContact O-N 3.34Å; Q308-E310 VanDerWaalsContact C-N 3.33Å; Q308-E310 PolarHBondContact O-N 2.9Å; E310-G314 PolarHBondContact O-N 3.07Å; E310-G314 VanDerWaalsContact O-N 3.1Å
311S69.6Low68.7Low78 Ų78110.4 Ų110.455%0.54557%0.567SS.*Hα-helixtrans-69-37.7176.9-57.20000112.1Q307 Q308 G314 Q315Q307-S311 WeakPolarHBondContact O-CB 3.42Å; Q307-S311 PolarHBondContact O-N 3.33Å; Q307-S311 VanDerWaalsContact O-N 3.14Å; Q307-S311 PolarHBondContact O-OG 2.96Å; Q308-S311 PolarHBondContact O-N 3.43Å; Q308-S311 VanDerWaalsContact O-N 3.15Å; S311-G314 PolarHBondContact O-N 3.31Å; S311-Q315 PolarHBondContact O-N 3.22Å
312S65.5Low67.4Low71 Ų71110.5 Ų110.550%0.49758%0.575SS.*Hα-helixtrans-65-42175.8-48.50000112.4Q308 G314 Q315Q308-S312 PolarHBondContact O-N 3.16Å; Q308-S312 PolarHBondContact O-OG 3.47Å; S312-G314 VanDerWaalsContact C-N 3.31Å; S312-G314 PolarHBondContact O-N 3.09Å; S312-Q315 PolarHBondContact O-N 3.37Å
313K61.9Low66.1Low162 Ų162116.2 Ų116.270%0.70461%0.605SS**Hα-helixtrans-68.6-30.4176.5-110.7178.7176.6176.90113.1L309 V317L309-K313 PolarHBondContact O-N 3.42Å; L309-K313 VanDerWaalsContact O-N 3.17Å; K313-V317 WeakPolarHBondContact O-CG2 3.48Å
314G58.2Low65.4Low30 Ų30119.3 Ų119.331%0.30961%0.613SS.*Hα-helixtrans-63.4-47.5174.100000111.7E310 S311 S312 E316 V317 W318E310-G314 PolarHBondContact O-N 3.07Å; E310-G314 VanDerWaalsContact O-N 3.1Å; S311-G314 PolarHBondContact O-N 3.31Å; S312-G314 VanDerWaalsContact C-N 3.31Å; S312-G314 PolarHBondContact O-N 3.09Å; G314-E316 PolarHBondContact O-N 3.04Å; G314-V317 PolarHBondContact O-N 3.28Å; G314-W318 PolarHBondContact O-N 3.31Å
315Q57.9Low64.4Low115 Ų115120.9 Ų120.954%0.53762%0.621SS.*Hα-helixtrans-65.7-40-173.2-159.766.127.600113.3S311 S312 V317 W318 D319S311-Q315 PolarHBondContact O-N 3.22Å; S312-Q315 PolarHBondContact O-N 3.37Å; Q315-V317 PolarHBondContact O-N 3.15Å; Q315-W318 PolarHBondContact O-N 3.05Å; Q315-W318 VanDerWaalsContact O-N 3.15Å; Q315-D319 PolarHBondContact O-N 3.36Å
316E56.7Low63.5Low138 Ų138121.8 Ų121.865%0.64563%0.629SS**Hα-helixtrans-62.7-30.4176.9-68.6-174.6163.500113G314 S320G314-E316 PolarHBondContact O-N 3.04Å; E316-S320 WeakPolarHBondContact O-CB 3.5Å; E316-S320 PolarHBondContact O-N 3.22Å; E316-S320 PolarHBondContact O-OG 3.47Å
317V56.8Low62.6Low98 Ų98122.6 Ų122.659%0.59463%0.633SS**Hα-helixtrans-76.4-30177.9174.70000111.7K313 G314 Q315K313-V317 WeakPolarHBondContact O-CG2 3.48Å; G314-V317 PolarHBondContact O-N 3.28Å; Q315-V317 PolarHBondContact O-N 3.15Å
318W55Low61.5Low188 Ų188121.9 Ų121.971%0.71263%0.633SS**Hα-helixtrans-76.7-39.6174.6-73.1100.8000112.1G314 Q315 R321G314-W318 PolarHBondContact O-N 3.31Å; Q315-W318 PolarHBondContact O-N 3.05Å; Q315-W318 VanDerWaalsContact O-N 3.15Å; W318-R321 PolarHBondContact O-N 2.84Å
319D57.4Low60.3Low99 Ų99122.7 Ų122.753%0.52964%0.641SS.*Hα-helixtrans-71.1-32.6179.2-70.8-20.7000112.6Q315 R321 A322Q315-D319 PolarHBondContact O-N 3.36Å; D319-R321 PolarHBondContact O-N 2.92Å; D319-A322 PolarHBondContact O-N 3.25Å
320S56.1Low59.5Low99 Ų99124.7 Ų124.769%0.69265%0.651SS**THydrogen-bonded Turntrans-71-8.7175.2-56.90000114.1E316E316-S320 WeakPolarHBondContact O-CB 3.5Å; E316-S320 PolarHBondContact O-N 3.22Å; E316-S320 PolarHBondContact O-OG 3.47Å
321R57.8Low58.2Low214 Ų214123.1 Ų123.181%0.80865%0.649SS**THydrogen-bonded Turntrans-105.9-3.3-179.4-147175-172.2175.22112.8W318 D319W318-R321 PolarHBondContact O-N 2.84Å; D319-R321 PolarHBondContact O-N 2.92Å
322A56.6Low57.3Low82 Ų82126.8 Ų126.868%0.67866%0.657SS**  trans-107.29.9-17800000113.8D319D319-A322 PolarHBondContact O-N 3.25Å
323L47.9Very low56.6Low226 Ų226131.9 Ų131.9100%1.18367%0.672SS**  trans-112.60167.5-75.5169.8000110.5

Retrieved 323 of 323 residues in 411.8 ms (Link to these results)